smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
Oc1ccc2ccc3[nH]c4ccccc4c3c2c1	14945699	MBRSVSZCEODPIF-UHFFFAOYSA-N	233.270	4.180	5	1	BIBF	
Cc1c2ncccc2c(C)c2c1[nH]c1ccccc12	13213418	GECKQKOYWIROSF-UHFFFAOYSA-N	246.313	4.486	5	1	BIBF	
Cc1nc2c(ccc3[nH]c4ccccc4c32)s1	1651658	MCUSJWXIZSPNNH-UHFFFAOYSA-N	238.315	4.239	5	1	BIBF	
Cc1cc2c3ccccc3nc2c2cn(C)ccc12	377423470	DJMIWAXPICGSRW-UHFFFAOYSA-N	246.313	4.188	5	1	BIBF	
Cc1ccc2c3cn(C)c4ccccc4c-3nc2c1	102924400	GJJGTCJAFMTZTJ-UHFFFAOYSA-N	246.313	4.140	5	1	BIBF	
N#Cc1cc2ccccc2c2[nH]c3ccccc3c12	200614847	LKAJNNCDRHAKRS-UHFFFAOYSA-N	242.281	4.346	5	1	BIBF	
Cc1cc2c3ccccc3[nH]c2c2ccnc(C)c12	6003165	BZMMTUBZSCBLMI-UHFFFAOYSA-N	246.313	4.486	5	1	BIBF	
Cc1cccc2c3nc4ccccc4c-3cn(C)c12	299864503	RNRABDFXKVOIPF-UHFFFAOYSA-N	246.313	4.140	5	1	BIBF	
O=Nc1c(O)c2ccccc2c2ccccc12	6117945	HMJPSXRANHDJOF-UHFFFAOYSA-N	223.231	4.097	5	3	BIBF	
O=Nc1c2nc3ccccc3[nH]c-2c2ccccc12	103520753	MLWHTRAYPQEPIN-UHFFFAOYSA-N	247.257	4.219	5	1	BIBF	
Cc1c2c3ccccc3nc-2n(C)c2ccccc12	1637737	HPNJLBZRPMSGCG-UHFFFAOYSA-N	246.313	4.140	5	1	BIBF	
Cc1ccc2[nH]c3ccc4occc4c3c2c1	14591776	HRTVORNLCGTMQL-UHFFFAOYSA-N	221.259	4.376	5	1	BIBF	biogenic
Cc1cnc2ccc3ccccc3c2c1C	72138139	SIPNXMJSRQXTPG-UHFFFAOYSA-N	207.276	4.005	5	1	BIBF	
Cc1cc2ccc3ccccc3c2nc1C	5160464	BARSWBXDPGYTGQ-UHFFFAOYSA-N	207.276	4.005	5	1	BIBF	biogenic
CCn1c2c3ccccc3nc-2cc2ccccc21	144038785	VPIZPWMUGQPNDN-UHFFFAOYSA-N	246.313	4.314	5	1	BIBF	
Cc1nc2ccc3[nH]c4ccccc4c3c2s1	29471171	WGGPDEXLOPDXES-UHFFFAOYSA-N	238.315	4.239	5	1	BIBF	
Cc1c2ccccc2nc2c1c1ccccc1n2C	95562815	MXKKTTBEUYZHNR-UHFFFAOYSA-N	246.313	4.188	5	1	BIBF	
Fc1ccc2nc3[nH]c4ccccc4c3cc2c1	13475319	NRVBCMSCIFGRPH-UHFFFAOYSA-N	236.249	4.008	5	1	BIBF	
Cc1ccc(C)n2c1nc1ccc3ccccc3c12	1637732	ZGOJBBJVKWSXQK-UHFFFAOYSA-N	246.313	4.258	5	1	BIBF	
c1ccc2c(-n3ccnc3)c3ccccc3cc2c1	28643433	FYJJOSKHOWCDQC-UHFFFAOYSA-N	244.297	4.179	5	1	BIBF	
Cc1c2ccccc2nc2[nH]c3ccccc3c12	27102432	MYCZTSDPHRGXLH-UHFFFAOYSA-N	232.286	4.178	5	1	BIBF	
COc1c2ccccc2nc2oc3ccccc3c12	45299640	RGJOSLJTZSYZIG-UHFFFAOYSA-N	249.269	4.143	5	1	BIBF	
Cc1c2cnccc2cc2c1c1ccccc1n2C	653739801	YNGQQZQBYFGKRE-UHFFFAOYSA-N	246.313	4.188	5	1	BIBF	
Cc1c2ccccc2c(C)n2c1nc1ccccc12	1637738	NEQHORGBYBHJJO-UHFFFAOYSA-N	246.313	4.258	5	1	BIBF	
Cc1c2nc3ccccc3c-2n(C)c2ccccc12	100991381	DVWBDHPDCPGQGT-UHFFFAOYSA-N	246.313	4.140	5	1	BIBF	
Cc1ccc2c(c1)cc1nc3ccccc3c-1n2C	137343605	MAZQHLIHLSLTCC-UHFFFAOYSA-N	246.313	4.140	5	1	BIBF	
CCc1c([N+](=O)[O-])oc2ccc3ccccc3c12	1999941	PBTGLHCVVQOAIP-UHFFFAOYSA-N	241.246	4.057	5	1	BIBF	
Cc1cc2ccc3c(C)c(O)ccc3c2cc1O	13485076	DFFOEEPIAZHYDY-UHFFFAOYSA-N	238.286	4.021	5	1	BIBF	biogenic
O=[N+]([O-])c1ccccc1/C=C1\C=Cc2ccccc21	36382736	WSSRFMUEKCAGEB-ACCUITESSA-N	249.269	4.162	5	1	BIBF	
Cc1ccc2[nH]c3nc4ccccc4c(C)c3c2c1	27103490	RWAMKKOVBAUKAP-UHFFFAOYSA-N	246.313	4.486	5	1	BIBF	
Cc1ccc2nc3[nH]c4ccccc4c3c(C)c2c1	27103598	QDISSWJGBNUCAX-UHFFFAOYSA-N	246.313	4.486	5	1	BIBF	
Cc1ccc2c3nc4ccccc4[nH]c-3cc2c1	169700609	PNRPFKVWZOAOLA-UHFFFAOYSA-N	232.286	4.129	5	1	BIBF	
Cc1cc2c3ccccc3[nH]c2c2ccoc12	3645767	ZSOGFZINTFQFOZ-UHFFFAOYSA-N	221.259	4.376	5	1	BIBF	biogenic
CNc1c2ccccc2nc2oc3ccccc3c12	45291179	MMVWDQHSPGPOLF-UHFFFAOYSA-N	248.285	4.176	5	1	BIBF	
CCc1c2nc3ccccc3c-2[nH]c2ccccc12	100988266	VKUDPDWEGASFLI-UHFFFAOYSA-N	246.313	4.383	5	1	BIBF	
Cc1cccc2c(=O)c3cccc(C)c3sc12	26248144	MFQQYVDEFVCDSB-UHFFFAOYSA-N	240.327	4.032	5	1	BIBF	
O=[N+]([O-])c1ccc2c(c1)C=C/C2=C/c1ccccc1	36382761	WSLDGZYCIAEKHV-RAXLEYEMSA-N	249.269	4.162	5	1	BIBF	
Cc1c2nc3ccccc3c-2[nH]c2ccccc12	100995178	VDGNTWJMAVSMRW-UHFFFAOYSA-N	232.286	4.129	5	1	BIBF	
Oc1c2ccccc2c2c3c(cccc13)N=N2	100706870	KRIUNPBAQZGFQA-UHFFFAOYSA-N	220.231	4.427	5	1	BIBF	
CCCc1ccc2ccc3ccccc3c2n1	95567114	VLPGTMKAKCZSES-UHFFFAOYSA-N	221.303	4.341	5	3	BIBF	
NCCc1ccc2ccc3cccc4ccc1c2c34	44397558	WUMDHWAMJFRWNL-UHFFFAOYSA-N	245.325	4.085	5	1	BIBF	
Cc1cccc2cc3c(nc12)[nH]c1ccccc13	103180584	CFIQABYNHWQWHC-UHFFFAOYSA-N	232.286	4.178	5	1	BIBF	
Cc1ccc2cc3nc4ccccc4c-3n(C)c2c1	135735629	UBJYPXIKTLRBCY-UHFFFAOYSA-N	246.313	4.140	5	1	BIBF	
C[N+](C)(C)CCCCCCCCc1ccccc1	27559040	BGCOXCULUHNORN-UHFFFAOYSA-N	248.434	4.276	5	1	BIBF	
O=c1oc2ccccc2c2c1ccc1ccccc12	34572299	OMHUBOYEMQTQOD-UHFFFAOYSA-N	246.265	4.099	5	3	BIBF	
Cc1ccc2c(c1)cc1c3ccccc3nc-1n2C	13475321	ZMZIXUJJBXGEFQ-UHFFFAOYSA-N	246.313	4.140	5	1	BIBF	
Cc1ccc(C)n2c1nc1cc3ccccc3cc12	1637730	WUJTZRCVOLEEPS-UHFFFAOYSA-N	246.313	4.258	5	1	BIBF	
O=[N+]([O-])c1ccc(/C=C2\C=Cc3ccccc32)cc1	17380747	RTPDYBJYQIKDSU-SDNWHVSQSA-N	249.269	4.162	5	1	BIBF	
Clc1c(Cl)c2ncccc2c2cccnc12	28713559	DERILYCKMDQUOR-UHFFFAOYSA-N	249.100	4.090	5	1	BIBF	
c1ccc2nc3c(cc2c1)oc1ccccc13	38997550	BLDCBZPWYBZMFI-UHFFFAOYSA-N	219.243	4.134	5	1	BIBF