smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
Cc1nc(CS(=O)(=O)c2ccccn2)sc1C(=O)NNC(=O)c1ccc(Cl)cc1	6058825	CGAJQSTWWGVOKY-UHFFFAOYSA-N	450.929	2.549	50	30	JFGC	
CC(C)NC(=O)NNC(=O)[C@@H](C)n1nnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1	2148248	NYRDJZDWPIDDIJ-MRVPVSSYSA-N	453.347	2.678	50	30	JFGC	
CCCNC(=O)NNC(=O)[C@H](C)n1nnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1	2148245	XZANPMNNXVVISB-QMMMGPOBSA-N	453.347	2.679	50	30	JFGC	
CC(C)(C)OC(=O)CN(CC(=O)OC(C)(C)C)C(=O)/C(C#N)=C/c1cc2ccc(O)cc2oc1=O	1623392381	RHWYQEMJHJWDRV-LICLKQGHSA-N	484.505	2.918	50	30	JFGC	
CCCCOC(=O)CCC(=O)OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc([N+](=O)[O-])cc1	204986124	RUMBOTXACIQSNB-RHSMWYFYSA-N	479.313	2.583	50	30	JFGC	
CC(C)(O)C(C)(C)OB(OC(C)(C)C(C)(C)O)c1c2ccccc2c(B(O)O)c2ccccc12	2265332624	BCOBSJBVGIAIPK-UHFFFAOYSA-N	466.192	2.500	50	30	JFGC	
CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1	12339689	ROYNAZHCJKSIPZ-UHFFFAOYSA-N	493.582	2.598	50	30	JFGC	
CC(C)n1cc(-c2nc(C(=O)NNC(=O)C(C)(C)C)cs2)c(=O)n(Cc2ccccc2)c1=O	8648512	YQYRQGQYGJEQRN-UHFFFAOYSA-N	469.567	2.570	50	30	JFGC	
Cc1csc(Cn2nc(CC(=O)NNC(=S)Nc3ccccc3)c3ccccc3c2=O)n1	3125945	UVYRYVGWPSLMRG-UHFFFAOYSA-N	464.576	2.770	50	30	JFGC	
COc1ccc(NC(=S)NNC(=O)Cn2nnc(-c3cccc(Cl)c3Cl)n2)cc1	1044947	GRJCZRDWJCCMKC-UHFFFAOYSA-N	452.327	2.673	50	30	JFGC	
CC(C)S(=O)(=O)c1csc(C(=O)NNS(=O)(=O)c2ccc(F)cc2F)c1-n1cccc1	2143771	PMVGWPAPTBTGJH-UHFFFAOYSA-N	489.547	2.622	50	30	JFGC	
O=C(NNC(=S)NCc1ccco1)c1cc(OCC(F)(F)F)nc(OCC(F)(F)F)c1	12369904	XPZNKRSLWPSQMW-UHFFFAOYSA-N	472.367	2.866	50	30	JFGC	
CCN(CC)CCO[Si](OCCN(CC)CC)(OCCN(CC)CC)c1ccccc1	195773983	AODUXVBVLDHNPO-UHFFFAOYSA-N	453.744	2.908	50	30	JFGC	
CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2cc(Cl)ccc2N)cc1	1024649	CTOOPXNQFFZCFV-UHFFFAOYSA-N	452.964	2.808	50	30	JFGC	
COc1ccccc1-c1nnc(SCC(=O)NNC(=O)C(F)(F)F)n1-c1ccccc1	8647791	NSMKUDAFWIIHCP-UHFFFAOYSA-N	451.430	2.745	50	30	JFGC	
COc1ccc(C=NNC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1OC	1084264501	AQXWRQFNUUAVMB-UHFFFAOYSA-N	465.959	2.908	50	30	JFGC	
CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NNC(=S)N[C@H]2C[C@H]3C=C[C@H]2C3)cc1	100242413	FSLKNVJZUZSDSY-IEZWGBDMSA-N	450.630	2.571	50	30	JFGC	
O=C(CSCCS(=O)(=O)c1ccccc1)NNS(=O)(=O)c1ccc(Cl)c(Cl)c1	2150393	WAPLAYARZAOKRP-UHFFFAOYSA-N	483.420	2.510	50	30	JFGC	
CC(C)n1cc(-c2nc(C(=O)NNC(=O)c3cccs3)cs2)c(=O)n(Cc2ccccc2)c1=O	3127044	UMCUXURYANULNR-UHFFFAOYSA-N	495.586	2.899	50	30	JFGC	
CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NNC(=S)N[C@@H]2C[C@H]3C=C[C@H]2C3)cc1	100242411	FSLKNVJZUZSDSY-VDZJLULYSA-N	450.630	2.571	50	30	JFGC	
CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NNC(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1	102933283	YLGZHSGGWLRICW-VDZJLULYSA-N	452.646	2.795	50	30	JFGC	
Cc1cccc(Cl)c1S(=O)(=O)NNC(=O)Cn1nnc(-c2cccc(Cl)c2Cl)n1	1044954	DBOKDLJAVINOBH-UHFFFAOYSA-N	475.745	2.618	50	30	JFGC	
COc1ccc(C=O)c2c1O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@H](O)[C@]21CCOC(C)=O	2265351686	HGLWDAQWLHTUGD-FNPARJMFSA-N	480.630	2.976	50	30	JFGC	
Cc1nc(CS(=O)(=O)c2ccccn2)sc1C(=O)NNC(=O)c1ccc(C(F)(F)F)cc1	6058830	LMFBBBMTUVHIEQ-UHFFFAOYSA-N	484.481	2.914	50	30	JFGC	
CC(C)S(=O)(=O)c1csc(C(=O)NNS(=O)(=O)c2ccc(Cl)cc2)c1-n1cccc1	2143769	ZGAWBDCKBJKGNC-UHFFFAOYSA-N	488.012	2.998	50	30	JFGC	
CCCNC(=O)NNC(=O)[C@@H](C)n1nnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1	2148244	XZANPMNNXVVISB-MRVPVSSYSA-N	453.347	2.679	50	30	JFGC	
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=S)c1ccc2c(c1)OCCO2	12370080	OOALNGOGKUUKIP-KRWDZBQOSA-N	457.552	2.890	50	30	JFGC	
O=C(CCN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)cc1)NNC(=O)c1ccccc1	8648565	QTOIMBSSHJXSDE-UHFFFAOYSA-N	461.927	2.975	50	30	JFGC	
CC(C)NC(=O)NNC(=O)[C@H](C)n1nnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1	2148249	NYRDJZDWPIDDIJ-QMMMGPOBSA-N	453.347	2.678	50	30	JFGC	
Cc1nc(CS(=O)(=O)c2ccccn2)sc1C(=O)NNC(=O)c1c(F)cccc1Cl	6058827	FJJMBYMIXXQQDY-UHFFFAOYSA-N	468.919	2.688	50	30	JFGC	
CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NNC(=S)N[C@H]2C[C@H]3CC[C@H]2C3)cc1	102933286	YLGZHSGGWLRICW-IEZWGBDMSA-N	452.646	2.795	50	30	JFGC	
NNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(C4=S=CC=C4)C=CC2=C3)cc1	953077440	KHCGKKPBKNDBII-ZZXKWVIFSA-N	464.306	2.905	50	30	JFGC	
O=C(CCN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)cc1)NNS(=O)(=O)c1ccccc1	3045754	BAHJOWJNCVXUHZ-UHFFFAOYSA-N	497.982	2.524	50	30	JFGC	
O=C(Cl)CCOCC(COCCC(=O)Cl)(COCCC(=O)Cl)COCCC(=O)Cl	59155207	KFWYWGIJQHWHIT-UHFFFAOYSA-N	498.183	2.661	50	30	JFGC	
CC(C)(C)OC(=O)N1CCC(Nc2ccc3c(c2)cc(B(O)O)n3C(=O)OC(C)(C)C)CC1	201301043	YNFUMWSSSIXPKJ-UHFFFAOYSA-N	459.352	2.916	50	30	JFGC