smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
COc1ccc(NC(=S)NNC(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@@H]3CCCO3)c2)cn1	729691863	FBTJFCWXDYNUNX-AWEZNQCLSA-N	500.002	1.832	50	20	KDGD	
O=C(NNC(=O)c1sc(N2CCCC2)nc1Cl)c1cccc(S(=O)(=O)N2CCOCC2)c1	920274365	QGJUEBWPNMRRKA-UHFFFAOYSA-N	500.002	1.492	50	20	KDGD	
COc1ccc(NC(=S)NNC(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@H]3CCCO3)c2)cn1	729691864	FBTJFCWXDYNUNX-CQSZACIVSA-N	500.002	1.832	50	20	KDGD	
COc1ccccc1NS(=O)(=O)c1cc(C(=O)NNC(=S)NCC(=O)N(C)C)ccc1Cl	918720737	VIPIVWABHZSLJY-UHFFFAOYSA-N	500.002	1.347	50	20	KDGD	
O=C(ON1C(=O)CCC1=O)c1cc(SS[C@@H]2CC[C@@H]([N+](=O)[O-])[C@H](C(=O)ON3C(=O)CCC3=O)C2)ccc1[N+](=O)[O-]	514278353	JTLGNQOINQOSBR-XNRPHZJLSA-N	596.552	1.977	50	20	KDGD	
Cc1ncsc1C(=O)NNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	729453042	WEBSXZYDHYDMLF-UHFFFAOYSA-N	500.002	1.179	50	20	KDGD	
O=C1CC[C@@H](N2Cc3cc(OCCOCCOCCI)ccc3C2=O)C(=O)N1	2048524598	OTGXRHVQVDOJKI-MRXNPFEDSA-N	502.305	1.295	50	20	KDGD	
O=C(ON1C(=O)CCC1=O)c1cc(SS[C@@H]2CC[C@H]([N+](=O)[O-])[C@H](C(=O)ON3C(=O)CCC3=O)C2)ccc1[N+](=O)[O-]	514278354	JTLGNQOINQOSBR-XPKDYRNWSA-N	596.552	1.977	50	20	KDGD	
[N-]=[N+]=NCCCNC(=O)CCSSCCNC(=O)CCOCCOCCOCCOCCNC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@H]21	2048536934	PLONANJTMPUWHX-PRVBGKCFSA-N	736.984	1.989	50	20	KDGD	
C[C@H](CCC(=O)O)SSCC[C@@H]1[C@H]2CO[P@](=O)(O)O[C@@H]3[C@@H](CO[P@](=O)(O)O[C@H]1[C@H](n1cnc4c(O)nc(=N)[nH]c41)O2)O[C@@H](n1cnc2c(N)ncnc21)[C@@H]3O	2048541371	IBPLNKRENHFZJM-YOSARRRXSA-N	850.723	1.181	50	20	KDGD	
O=C(ON1C(=O)CCC1=O)c1cc(SS[C@@H]2CC[C@H]([N+](=O)[O-])[C@@H](C(=O)ON3C(=O)CCC3=O)C2)ccc1[N+](=O)[O-]	514278351	JTLGNQOINQOSBR-INWMFGNUSA-N	596.552	1.977	50	20	KDGD	
O=C1CC[C@H](N2Cc3cc(OCCOCCOCCI)ccc3C2=O)C(=O)N1	2048524597	OTGXRHVQVDOJKI-INIZCTEOSA-N	502.305	1.295	50	20	KDGD	
CCN(CC)S(=O)(=O)c1ccc(Cl)c(S(=O)(=O)NNC(=O)c2c(C)nc3ccccn23)c1	728261674	VMDLTEURQDUURT-UHFFFAOYSA-N	500.002	1.950	50	20	KDGD	
Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1ccc(N2CCCS2(=O)=O)cc1Cl	857432044	XCOFHQIZNIUUJV-UHFFFAOYSA-N	500.002	1.556	50	20	KDGD	
BrCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCBr	2065316138	XGVURFJOJBSGLF-UHFFFAOYSA-N	672.445	1.959	50	20	KDGD	
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	210486982	WXSBJLWLFBBGKF-CUYJMHBOSA-N	531.422	1.088	50	20	KDGD	
O=C(ON1C(=O)CCC1=O)c1cc(SS[C@@H]2CC[C@@H]([N+](=O)[O-])[C@@H](C(=O)ON3C(=O)CCC3=O)C2)ccc1[N+](=O)[O-]	514278352	JTLGNQOINQOSBR-IVMMDQJWSA-N	596.552	1.977	50	20	KDGD