smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
C[C@@](O)(C(=O)Nc1ccc(S(=O)(=O)F)cc1Cl)C(F)(F)F	35960272	JAXMQOAWBPDQGA-SECBINFHSA-N	349.689	2.250	70	1	EEIF	
O=C(Nc1ccc2c(c1)B(O)OC2)c1cc(F)ccc1C(F)(F)F	203980318	FTQHCTYSXMHPJD-UHFFFAOYSA-N	339.053	2.315	70	1	EEIF	
O=S(=O)(Cl)c1ccc(-c2nc3c(O)ncnc3[nH]2)cc1Cl	586926835	GGBGPKRDBQNLNQ-UHFFFAOYSA-N	345.167	2.306	70	1	EEIF	
CN1C[C@H](C(=O)N(C)[C@H](CN2CCCCC2)c2ccccc2)CC1=O	218194847	KZUHYRJBEQZTQY-QZTJIDSGSA-N	343.471	2.150	70	1	EEIF	
O=S(=O)(Cl)c1ccc(-c2nc3cnnc(O)c3[nH]2)cc1Cl	586927147	CZGHXOJGADSQDH-UHFFFAOYSA-N	345.167	2.306	70	1	EEIF	
O=C(Nc1ccc2c(c1)B(O)OC2)c1ccc(F)cc1C(F)(F)F	198007979	PDLGXLSORGREBI-UHFFFAOYSA-N	339.053	2.315	70	1	EEIF	
O=S(=O)(Cl)c1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1	587562469	BHEKVZAMLDPXJV-UHFFFAOYSA-N	337.744	2.031	70	1	EEIF	
CCCCC(N)=P(O)(O)C(=S)NCc1ccc(OC)cc1	169720477	JHWVQONKNSAUGC-UHFFFAOYSA-N	330.390	2.181	70	1	EEIF	
O=C(Nc1ccc2c(c1)B(O)OC2)c1ccc(C(F)(F)F)cc1F	203962375	GGGWVCPPTQVWSE-UHFFFAOYSA-N	339.053	2.315	70	1	EEIF	
CN1C[C@@H](C(=O)N(C)[C@H](CN2CCCCC2)c2ccccc2)CC1=O	218194942	KZUHYRJBEQZTQY-ZWKOTPCHSA-N	343.471	2.150	70	1	EEIF	
O=S(=O)(F)c1ccc(Cl)c(-c2nc3cnnc(O)c3[nH]2)c1	587180922	QHOKILLJDSYBNY-UHFFFAOYSA-N	328.712	2.037	70	1	EEIF	
CCC[C@H](O)C[C@@H]1C[C@@H]2O[C@@H]2[C@@H]2O[C@@H]2[C@@H](Cl)C(C)(C)C(=O)O1	31166770	XIDNFNLBSAQIMG-HHXMFUHUSA-N	332.824	2.021	70	1	EEIF	biogenic
O=C(Nc1ccc2c(c1)B(O)OC2)c1c(F)cccc1C(F)(F)F	198037395	KWHOJKDJILYEEE-UHFFFAOYSA-N	339.053	2.315	70	1	EEIF	
C[C@](O)(C(=O)Nc1ccc(S(=O)(=O)F)cc1Cl)C(F)(F)F	35960273	JAXMQOAWBPDQGA-VIFPVBQESA-N	349.689	2.250	70	1	EEIF	
CCc1ccc(-c2nc3c(O)ncnc3[nH]2)cc1S(=O)(=O)Cl	586927866	SUGNADNANGNFIP-UHFFFAOYSA-N	338.776	2.215	70	1	EEIF	
C[C@@H](C(=O)NC1CC1)c1ccc(OS(=O)(=O)C(F)(F)F)cc1	43649896	FLQBUVNWWUHSEF-MRVPVSSYSA-N	337.319	2.297	70	1	EEIF	
CCN(CC)C(=O)c1ccc(Oc2ccc3c(c2)COB3O)cc1	195212748	ZXYACEYBZNPPLS-UHFFFAOYSA-N	325.173	2.179	70	1	EEIF	
CC1(C)[C@@H](Br)CC[C@]2(C)O[C@@H]3COC(=O)C3=C[C@@H](O)[C@@H]12	14854616	YGUXFWBBYGJSHK-KLFGWDPYSA-N	345.233	2.188	70	1	EEIF	biogenic
CCc1ccc(-c2nc3c(N)ncnc3[nH]2)cc1S(=O)(=O)Cl	586927982	VJRBELCHBYKUBF-UHFFFAOYSA-N	337.792	2.092	70	1	EEIF	
O=C(Nc1ccc2c(c1)B(O)OC2)c1ccccc1OC(F)(F)F	203970114	UXXOUDWYPCHBTO-UHFFFAOYSA-N	337.062	2.055	70	1	EEIF	
O=S(=O)(F)c1ccc(Cl)c(-c2nc3c(O)ncnc3[nH]2)c1	587180285	GXFVQFXOCOFGGC-UHFFFAOYSA-N	328.712	2.037	70	1	EEIF	
CCc1ccc(C(=O)c2ccn(-c3ccc4c(c3)B(O)OC4)c2)cc1	221694345	QGQIWGXIUAOCHU-UHFFFAOYSA-N	331.180	2.488	70	1	EEIF	
O=S(=O)(Cl)c1cccc(-c2ccc3c(O)nc(O)nc3n2)c1	587563715	WFKXWASDZCGSPF-UHFFFAOYSA-N	337.744	2.031	70	1	EEIF	
COc1ccc(Cl)cc1C#Cc1cnn(C)c1S(=O)(=O)Cl	587918484	UDLVSFMKJAYUIT-UHFFFAOYSA-N	345.207	2.409	70	1	EEIF	
COc1ccc(NC(=O)CNC(=O)COc2ccc(F)cc2)c(C)c1	217489328	CEVDRPUZPCFAOV-UHFFFAOYSA-N	346.358	2.276	70	1	EEIF	
O=S(=O)(Cl)c1cc(-c2nc3cnnc(O)c3[nH]2)ccc1Cl	586926492	LMOCDBHLAFUDRS-UHFFFAOYSA-N	345.167	2.306	70	1	EEIF	
Nc1ncnc2[nH]c(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)nc12	586927310	KRHAOXVUWGNRIO-UHFFFAOYSA-N	344.183	2.183	70	1	EEIF	
O=C(COc1ccc(F)cc1)NCC(=O)Nc1c(F)cccc1F	217488801	FHTPLYLDLXLRSC-UHFFFAOYSA-N	338.285	2.238	70	1	EEIF	
Nc1nccc2nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c12	587179975	CINVFGABOVTREQ-UHFFFAOYSA-N	326.740	2.519	70	1	EEIF	
Nc1ncnc2[nH]c(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)nc12	586925695	ALULJJJCVAPYMV-UHFFFAOYSA-N	344.183	2.183	70	1	EEIF	
O=C(Nc1ccccn1)Nc1cccc2c1[C@@H]1C[C@H](O)CCN1C2=O	216776415	IARSDYUAZJAUIM-RISCZKNCSA-N	338.367	2.377	70	1	EEIF	
O=S(=O)(Cl)c1cc(-c2nc3c(O)ncnc3[nH]2)ccc1Cl	586926852	RDRSQZTXBYBVCK-UHFFFAOYSA-N	345.167	2.306	70	1	EEIF	
CC(C)(C)[Si](F)(Cc1cn(C[C@H](N)C(=O)O)nn1)C(C)(C)C	210632800	UWBUSBMIKUOYTK-NSHDSACASA-N	330.480	2.287	70	1	EEIF	
O=C(Nc1ccc2c(c1)B(O)OC2)c1cc(C(F)(F)F)ccc1F	203976402	HVCHRUALBLUTHI-UHFFFAOYSA-N	339.053	2.315	70	1	EEIF	
COc1ccc(Cl)cc1C#Cc1cnn(S(=O)(=O)Cl)c1	587918328	NEEITAWEIWWLLU-UHFFFAOYSA-N	331.180	2.277	70	1	EEIF	
Nc1cc2nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c2cn1	587181074	QRIJOAORXYPFQO-UHFFFAOYSA-N	326.740	2.519	70	1	EEIF	
CCc1ccc(-c2nc3cnnc(O)c3[nH]2)cc1S(=O)(=O)Cl	586927315	KZKVPASBYTXOMF-UHFFFAOYSA-N	338.776	2.215	70	1	EEIF	
O=C(Nc1ccc2c(c1)B(O)OC2)c1cccc(C(F)(F)F)c1F	198037387	BKKCIQLAVKUVQI-UHFFFAOYSA-N	339.053	2.315	70	1	EEIF	
NC1=N[C@]2(CS1)c1cc(Br)ccc1OCC21COC1	218002172	OIIKYZRXWBNXLG-CYBMUJFWSA-N	341.230	2.115	70	1	EEIF	
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)C2CCNCC2)n1	218482441	MOMLNSVMYWTIFW-GXTWGEPZSA-N	333.436	2.258	70	1	EEIF	
NC1=N[C@@]2(CS1)c1cc(Br)ccc1OCC21COC1	218002097	OIIKYZRXWBNXLG-ZDUSSCGKSA-N	341.230	2.115	70	1	EEIF	
CC(C)(C)[Si](F)(Cc1cn(C[C@@H](N)C(=O)O)nn1)C(C)(C)C	210632832	UWBUSBMIKUOYTK-LLVKDONJSA-N	330.480	2.287	70	1	EEIF	
Cc1cccc(OCC(=O)NCC(=O)Nc2c(F)cccc2F)c1	217494027	ZMZOWUBWTWHTBQ-UHFFFAOYSA-N	334.322	2.407	70	1	EEIF	
O=C(OB(c1cccc(F)c1)c1cccc(F)c1)c1ncccc1O	195152822	BHOPBGXMWSBSBQ-UHFFFAOYSA-N	339.106	2.028	70	1	EEIF