smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
NS(=O)(=O)c1ccc(CNC(=O)C[C@@H]2NC(=O)N(CCc3c[nH]c4ccccc34)C2=O)cc1	218163876	PBVNPIXBIKWWRP-IBGZPJMESA-N	469.523	0.985	70	50	JCIA	
CS(=O)(=O)N1CCN(C(=O)CN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@@H]23)CC1	218160745	ANYNZYORWUYKIJ-FQEVSTJZSA-N	454.508	0.905	70	50	JCIA	
CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N3CCC(CS(=O)(=O)F)CC3)c2)CC1	2325887688	VWHYBWATUMSULZ-UHFFFAOYSA-N	475.564	0.691	70	50	JCIA	
COc1ccc(CN2C(=O)N[C@@H](CCC(=O)NCc3ccc(S(N)(=O)=O)cc3)C2=O)cc1	218276107	DOGMTBUHQUSGIG-SFHVURJKSA-N	460.512	0.860	70	50	JCIA	
COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCC(CS(=O)(=O)F)CC1	2325887667	MIBNQZDEKQHLCT-UHFFFAOYSA-N	464.537	0.868	70	50	JCIA	
O=C1N[C@@H](CC(=O)N2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)C(=O)Nc2ccccc21	217893754	JFPFTPVBPNZAAI-IBGZPJMESA-N	460.494	0.708	70	50	JCIA	biogenic
O=C1N[C@@H](CC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)C(=O)Nc2ccccc21	218019987	BKVRHMLMZLXXCY-FXAWDEMLSA-N	464.478	0.638	70	50	JCIA	biogenic
CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N[C@@H]3CC[C@H](CS(=O)(=O)F)C3)ccc2F)CC1	2325887687	UQMDEZITCVGVAG-GOEBONIOSA-N	493.554	0.876	70	50	JCIA	
CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N3CCC(S(=O)(=O)F)CC3)ccc2F)CC1	2325887631	CERCLKKUFSWKNF-UHFFFAOYSA-N	479.527	0.582	70	50	JCIA	
COc1ccc(S(=O)(=O)N2CCN(Cc3c(O)occ(CN4CCOCC4)c3=O)CC2)cc1	218562247	JVHJLMYLRZJIAG-UHFFFAOYSA-N	479.555	0.693	70	50	JCIA	
CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N3CCC(S(=O)(=O)F)CC3)c2)CC1	2325887689	WAILUBCCDJGVNX-UHFFFAOYSA-N	461.537	0.443	70	50	JCIA	
O=C1N[C@@H](CC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)C(=O)Nc2ccccc21	218019904	BKVRHMLMZLXXCY-PXNSSMCTSA-N	464.478	0.638	70	50	JCIA	biogenic
CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N[C@@H]3CC[C@H](CS(=O)(=O)F)C3)c2)CC1	2325887637	GWBMIHYMZLELBN-DOTOQJQBSA-N	475.564	0.737	70	50	JCIA	
COc1ccc(S(=O)(=O)N2CC(NS(=O)(=O)c3ccc(S(=O)(=O)F)cc3)C2)cc1	2325885118	ZRMANDHOJCFUPI-UHFFFAOYSA-N	464.518	0.705	70	50	JCIA	
COc1ccc(C(=O)N2CCC(CS(=O)(=O)F)CC2)cc1S(=O)(=O)N1CCOCC1	2325887664	LMHCYJMGHKOGPN-UHFFFAOYSA-N	464.537	0.868	70	50	JCIA	
COc1ccc(C(=O)N2CCC(S(=O)(=O)F)CC2)cc1S(=O)(=O)N1CCOCC1	2325887628	BZQCRTJALPELGR-UHFFFAOYSA-N	450.510	0.620	70	50	JCIA	
CCc1cc2c(=O)c(-c3ccc4c(c3)OCO4)coc2cc1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	217368454	DAWHFJMVWWCEIH-ZXGKGEBGSA-N	472.446	0.930	70	50	JCIA	
CS(=O)(=O)N1CCN(C(=O)CN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@H]23)CC1	218160661	ANYNZYORWUYKIJ-HXUWFJFHSA-N	454.508	0.905	70	50	JCIA	
Cc1n[nH]c(C)c1S(=O)(=O)N1CCN(C(=O)CC[C@@H]2NC(=O)c3ccccc3NC2=O)CC1	218281249	JKIWPXNNCHFYTQ-KRWDZBQOSA-N	474.543	0.390	70	50	JCIA