smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CC(C)(C)[Si](F)(c1cn(C[C@H](N)C(=O)O)nn1)C(C)(C)C	210632730	SJHIMFDTFCVXSK-VIFPVBQESA-N	316.453	1.412	70	1	DDIF	
NCCc1c[nH]c2ccc(OS(=O)(=O)C(F)(F)F)cc12	34801066	GUJBOPKUKWHUKV-UHFFFAOYSA-N	308.281	1.898	70	1	DDIF	
NC1=N[C@]2(COC1)c1cc(-c3cncnc3)ccc1OCC21CC1	218526194	AMQPJZMLPSZGED-GOSISDBHSA-N	322.368	1.899	70	1	DDIF	
Cc1cc(-c2nc3ncnc(N)c3[nH]2)ccc1S(=O)(=O)Cl	586927573	HGFHCJHXHYHHIZ-UHFFFAOYSA-N	323.765	1.838	70	1	DDIF	
O=S(=O)(F)c1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1	587371044	ZTZAPMQCPOHRNQ-UHFFFAOYSA-N	321.289	1.761	70	1	DDIF	
COc1ccc(NC(=O)CCc2cccc3c2B(O)OC3)cc1	204051000	WXUYDZIVQBMTLB-UHFFFAOYSA-N	311.146	1.484	70	1	DDIF	
NC1=N[C@@]2(COC1)c1cc(-c3cncnc3)ccc1OCC21CC1	218526127	AMQPJZMLPSZGED-SFHVURJKSA-N	322.368	1.899	70	1	DDIF	
O=C(c1ccn(-c2ccc3c(c2)B(O)OC3)c1)c1cccs1	221695702	ZJYWBRFGULODHV-UHFFFAOYSA-N	309.155	1.988	70	1	DDIF	
O=C(c1ccccc1)c1cccn1-c1ccc2c(c1)B(O)OC2	221693303	OUOLZJFQTVQYBZ-UHFFFAOYSA-N	303.126	1.926	70	1	DDIF	
CC(C)(C)[Si](F)(c1cn(C[C@@H](N)C(=O)O)nn1)C(C)(C)C	210632759	SJHIMFDTFCVXSK-SECBINFHSA-N	316.453	1.412	70	1	DDIF	
O=S(=O)(Oc1ccc([C@H]2C[C@H]3CC[C@H]2N3)cn1)C(F)(F)F	100577496	JDEMFMNDJDGFRE-OPRDCNLKSA-N	322.308	1.918	70	1	DDIF	
O=S(=O)(Oc1ccc([C@H]2C[C@@H]3CC[C@@H]2N3)cn1)C(F)(F)F	100577481	JDEMFMNDJDGFRE-AEJSXWLSSA-N	322.308	1.918	70	1	DDIF	
O=C(NC1CCCCC1)c1cccn1-c1ccc2c(c1)B(O)OC2	221692779	KLYFKSNOYKMASM-UHFFFAOYSA-N	324.189	1.758	70	1	DDIF	
C[C@@H](C(=O)NO)c1ccc(OS(=O)(=O)C(F)(F)F)cc1	44086417	AZGLLZCAKWZCBV-ZCFIWIBFSA-N	313.253	1.524	70	1	DDIF	
COc1c(C(=O)O)c(O)c(S(=O)(=O)Cl)c2occc12	64499394	KCYBFKKIBUMBPV-UHFFFAOYSA-N	306.679	1.773	70	1	DDIF	
Cc1cc(-c2nc3nc(N)ncc3[nH]2)ccc1S(=O)(=O)Cl	586928057	OTLQKOJAJQANML-UHFFFAOYSA-N	323.765	1.838	70	1	DDIF	
Cc1cc(-c2nc3c(O)nncc3[nH]2)ccc1S(=O)(=O)Cl	586928232	RUKDWNJOXSIUKJ-UHFFFAOYSA-N	324.749	1.961	70	1	DDIF	
Cc1cccc(OCC(=O)NCC(=O)Nc2ccc(O)cc2)c1	217493917	MNDPMTWPBSRDEY-UHFFFAOYSA-N	314.341	1.834	70	1	DDIF	
CCCC(N)=P(O)(O)C(=S)NCc1ccc(OC)cc1	169720473	DFQKNWHGFMEWPO-UHFFFAOYSA-N	316.363	1.791	70	1	DDIF	
O=C1O[C@@H]2CCCC[C@H]2/C1=C/OS(=O)(=O)C(F)(F)F	43910858	PAUFDVBWIUZSAU-YRQJFVFOSA-N	300.254	1.852	70	1	DDIF	
Cc1cc(-c2nc3c(O)ncnc3[nH]2)ccc1S(=O)(=O)Cl	586928093	PUWZEOHPQROLHF-UHFFFAOYSA-N	324.749	1.961	70	1	DDIF	
CNC(=O)[C@H](C)c1ccc(OS(=O)(=O)C(F)(F)F)cc1	44086459	VFJYTZIKRSKRGC-SSDOTTSWSA-N	311.281	1.765	70	1	DDIF	
CS[C@]1(CO)C(=O)N(C)/C(=C\c2ccccc2)C(=O)N1C	218506285	HKUWFXOAQGVJHR-HMVFGEFZSA-N	306.387	1.010	70	1	DDIF	
COc1ccc2[nH]cc(C(=O)On3nnc4ncccc43)c2c1	1911586810	ATNUGJVXPUFQRP-UHFFFAOYSA-N	309.285	1.585	70	1	DDIF	
O=S(=O)(Oc1ccc([C@H]2C[C@@H]3CC[C@H]2N3)cn1)C(F)(F)F	89464437	JDEMFMNDJDGFRE-IVZWLZJFSA-N	322.308	1.918	70	1	DDIF	
CN(C)S(=O)(=O)c1cc(CS(=O)(=O)F)ccc1Cl	1857601375	KPDSVEDFWVILDH-UHFFFAOYSA-N	315.775	1.390	70	1	DDIF	
CCCOC(=O)c1ccc(Oc2ccc3c(c2)COB3O)nc1	195382515	MPENDUASVZECTJ-UHFFFAOYSA-N	313.118	1.658	70	1	DDIF	
CCCC(N)=P(O)(O)C(=S)NCCc1ccccc1	169720472	QRQHIHGHQFZZBX-UHFFFAOYSA-N	300.364	1.825	70	1	DDIF	
O=C(c1ccc(O)cc1)c1ccn(-c2ccc3c(c2)B(O)OC3)c1	221694837	ZOMIUAGEMNXYRP-UHFFFAOYSA-N	319.125	1.632	70	1	DDIF	
O=C1O[C@@H]2CCCC[C@@H]2/C1=C/OS(=O)(=O)C(F)(F)F	43910862	PAUFDVBWIUZSAU-RXCXCCMUSA-N	300.254	1.852	70	1	DDIF	
CC(C)OC(=O)c1ccc(Oc2ccc3c(c2)COB3O)nc1	195373688	FHBVGIUZVIHLLZ-UHFFFAOYSA-N	313.118	1.657	70	1	DDIF	
O=C(c1ccccc1)c1ccn(-c2ccc3c(c2)B(O)OC3)c1	221693694	AIKSCBCGFCBKBD-UHFFFAOYSA-N	303.126	1.926	70	1	DDIF	
COc1ccc2nnn(OC(=O)c3cc(O)cc(O)c3)c2c1	64549770	CHAVDVIIVJBSGV-UHFFFAOYSA-N	301.258	1.120	70	1	DDIF	
O=S(=O)(Oc1ccc([C@H]2C[C@H]3CC[C@@H]2N3)cn1)C(F)(F)F	89464432	JDEMFMNDJDGFRE-BBBLOLIVSA-N	322.308	1.918	70	1	DDIF	
O=C(On1nnc2ncccc21)c1cc2cc(F)cc(F)c2[nH]1	1911573472	FSMBQECUEFJCPS-UHFFFAOYSA-N	315.239	1.855	70	1	DDIF	
COc1cc(OC)c2c(c1)[C@H](O)[C@@H]1C[C@@](C)(O)OC[C@H]1C2=O	216662993	PTYCCMDOLVCXFB-XYJYNPGVSA-N	308.330	1.295	70	1	DDIF