smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
c1csc(SCC2CCCC2)n1	307333617	QMGHVJCFQYUKMT-UHFFFAOYSA-N	199.344	3.425	10	20	AGCD	
CCC(CC)CNc1ccc(N)cc1	130204189	PCHXWOYQCJJBBA-UHFFFAOYSA-N	192.306	3.117	10	20	AGCD	
CCCCn1ccc2cc(N)ccc21	36949945	URQOCXDBXNKKQJ-UHFFFAOYSA-N	188.274	3.024	10	20	AGCD	
C[C@@H](CN=[N+]=[N-])c1ccccc1	6020750	OARTVRGYHXVYRL-QMMMGPOBSA-N	161.208	3.100	10	20	AGCD	
CC[C@@H](C)Sc1nccs1	306417881	UKFSCQJYDZTHCX-ZCFIWIBFSA-N	173.306	3.034	10	20	AGCD	
CC(C)CCCNc1ccc(N)cc1	62100320	RVKFVAZGNPTWNF-UHFFFAOYSA-N	192.306	3.117	10	20	AGCD	
C[C@H](CN=[N+]=[N-])c1ccccc1	6036569	OARTVRGYHXVYRL-MRVPVSSYSA-N	161.208	3.100	10	20	AGCD	
CC(C)(CN=[N+]=[N-])c1ccccc1	148273082	FYCKIUZNIFCROI-UHFFFAOYSA-N	175.235	3.275	10	20	AGCD	
CC1(CSc2nccs2)CCC1	307287229	UCCKTUZHAQJXMB-UHFFFAOYSA-N	199.344	3.425	10	20	AGCD	
CC(C)Nc1ccccc1NC(C)C	39617937	SONZQXSTWXOYSD-UHFFFAOYSA-N	192.306	3.327	10	20	AGCD	
C=Cc1ccc(CN=[N+]=[N-])cc1	200490293	NMJXESYNYFVHNY-UHFFFAOYSA-N	159.192	3.140	10	20	AGCD	
CC(C)CCSc1nccs1	165526339	LDFORVSVCQJOOJ-UHFFFAOYSA-N	187.333	3.281	10	20	AGCD	
CCCCSc1nccs1	32137546	DUAWSZNZLQCXRT-UHFFFAOYSA-N	173.306	3.035	10	20	AGCD	
CCCSc1ncc(Cl)s1	849999057	WBAMGPAKWKKIJJ-UHFFFAOYSA-N	193.724	3.299	10	20	AGCD	
C1=CCC(CSc2nccs2)C1	1350107138	CHZPQJXMKKNTER-UHFFFAOYSA-N	197.328	3.201	10	20	AGCD	
Cc1ccc(Nc2ccc(N)cc2)cc1	8412100	UDWOGBVGZXTOLR-UHFFFAOYSA-N	198.269	3.321	10	20	AGCD	
c1csc(SCC2CCC2)n1	306284072	JEJZCXOVUMKHRP-UHFFFAOYSA-N	185.317	3.035	10	20	AGCD	
CCC(CC)Sc1nccs1	307684393	IXHKUQOFRJNWFP-UHFFFAOYSA-N	187.333	3.424	10	20	AGCD	
CCCCCSc1nccs1	307926734	RJQHAOKQWHCXAC-UHFFFAOYSA-N	187.333	3.425	10	20	AGCD	
[N-]=[N+]=NCc1ccc(F)cc1Cl	37206927	SELQEFVDUSTTJB-UHFFFAOYSA-N	185.589	3.289	10	20	AGCD	
c1ccc(Sc2nccs2)cc1	15781452	WJUZBIMIEZOALU-UHFFFAOYSA-N	193.296	3.294	10	20	AGCD	
CCC[C@@H](C)Sc1nccs1	307703647	RXOBAGDBSGVUBI-SSDOTTSWSA-N	187.333	3.424	10	20	AGCD	
CC[C@H](C)Sc1nccs1	306417879	UKFSCQJYDZTHCX-LURJTMIESA-N	173.306	3.034	10	20	AGCD	
c1csc(Sc2nccs2)c1	231510509	JOCOPPLIJSQNRF-UHFFFAOYSA-N	199.325	3.356	10	20	AGCD	
CC(C)(C)CCNc1ccc(N)cc1	123818003	RUJYEQAVROFPQF-UHFFFAOYSA-N	192.306	3.117	10	20	AGCD	
CSc1ncc(C(C)(C)C)s1	306267653	QKUMFKCGTKDDEA-UHFFFAOYSA-N	187.333	3.163	10	20	AGCD	
c1csc(SCCC2CC2)n1	307669693	OHGKXRHWCBHHMX-UHFFFAOYSA-N	185.317	3.035	10	20	AGCD	
C1=C[C@@H](Sc2nccs2)CCC1	306398272	XWZPULRJDIILQS-MRVPVSSYSA-N	197.328	3.344	10	20	AGCD	
[N-]=[N+]=NCc1nccc2ccccc12	1537961592	DLPSQSPOIBBBBA-UHFFFAOYSA-N	184.202	3.045	10	20	AGCD	
CC(C)Sc1ncc(Cl)s1	849997673	CITJXEVULRAYNO-UHFFFAOYSA-N	193.724	3.297	10	20	AGCD	
Cc1ccc(CN=[N+]=[N-])c(Cl)c1	235765798	GCRCPGXDFJIHDZ-UHFFFAOYSA-N	181.626	3.459	10	20	AGCD	
CC(C)=CCSc1nccs1	306424442	IJOJYEXFSBDCDG-UHFFFAOYSA-N	185.317	3.201	10	20	AGCD	
c1csc(SC2CCCC2)n1	307038366	PGKFQVVTKKEKNT-UHFFFAOYSA-N	185.317	3.178	10	20	AGCD	
CCC[C@H](C)Sc1nccs1	307703648	RXOBAGDBSGVUBI-ZETCQYMHSA-N	187.333	3.424	10	20	AGCD	
C1=C[C@H](Sc2nccs2)CCC1	306398273	XWZPULRJDIILQS-QMMMGPOBSA-N	197.328	3.344	10	20	AGCD	
C1=C(CSc2nccs2)CCC1	842548202	LKMXQUDOPXNRSI-UHFFFAOYSA-N	197.328	3.346	10	20	AGCD	
[N-]=[N+]=NCC(F)(F)c1cccs1	2298024306	VMGFVCPEAQSHGG-UHFFFAOYSA-N	189.190	3.150	10	20	AGCD