smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CCc1ccc2ccc3cccc4ccc1c2c34	2565451	ZWAMZDRREBOHIO-UHFFFAOYSA-N	230.310	5.146	5	40	BKBB	
Cc1cc(C)c2c(c1)[nH]c1c3ccccc3ccc12	242722862	XXKFXZVJRWTVQA-UHFFFAOYSA-N	245.325	5.091	5	40	BKBB	
c1ccccccccccccccccc1	100074375	STQWAGYDANTDNA-UHFFFAOYSA-N	234.342	5.060	5	40	BKBB	in-vitro
c1scc2c1c1cscc1c1cscc21	2556263	INZUTJPYADZZEL-UHFFFAOYSA-N	246.381	5.331	5	40	BKBB	
c1cc2ccc3ccc4cccc5oc(c1)c2c3c45	1627067	UZHFDCLFBVPDGM-UHFFFAOYSA-N	242.277	5.330	5	40	BKBB	biogenic
Cc1cccc2cc3c(cc12)sc1ccccc13	1665634	CKOZCPVQNQOFGX-UHFFFAOYSA-N	248.350	5.516	5	40	BKBB	
Cc1cccc2c1ccc1cc(C(C)C)ccc12	1628335	NXLOLUFNDSBYTP-UHFFFAOYSA-N	234.342	5.425	5	40	BKBB	biogenic
Clc1cccc2cc3cccc(Cl)c3cc12	107500655	YGIUYXOOOGQGIS-UHFFFAOYSA-N	247.124	5.300	5	40	BKBB	
Cc1c(C)c(C)c2cc3ccccc3cc2c1C	2558812	ZMQYNEJFQGWMIX-UHFFFAOYSA-N	234.342	5.227	5	40	BKBB	
Cc1ccc2c(ccc3c(C)c(C)ccc32)c1C	68569599	DITJBQCJBITETN-UHFFFAOYSA-N	234.342	5.227	5	40	BKBB	
c1cc2ccc3ccc4ccc5cc(c1)c2c3c45	2558822	BZCXQYVNASLLQO-UHFFFAOYSA-N	226.278	5.175	5	40	BKBB	in-vitro
FC(F)(F)c1c2ccccc2cc2ccccc12	77011756	RMHPWQJEUXDWJE-UHFFFAOYSA-N	246.231	5.012	5	40	BKBB	
CCCCc1c2ccccc2cc2ccccc12	2507953	VNCDUSIZHQJFOG-UHFFFAOYSA-N	234.342	5.336	5	40	BKBB	
Clc1ccc2cc(Cl)c3ccccc3c2c1	1593458	CRSUMWXUPNRJSN-UHFFFAOYSA-N	247.124	5.300	5	40	BKBB	
CCc1cccc2c(C)cc3c(C)cccc3c12	299888507	MDZYWNWRMJIOPN-UHFFFAOYSA-N	234.342	5.172	5	40	BKBB	
CCc1cc2c(ccc3ccccc32)c2c1CCC2	1595255	JSCFRTVIFXXMCK-UHFFFAOYSA-N	246.353	5.044	5	40	BKBB	
Cc1ccc2ccc3ccc(C)c(C)c3c2c1C	104149825	BUSLHLOSCTVNRQ-UHFFFAOYSA-N	234.342	5.227	5	40	BKBB	
Cc1cc(C)c2cc3cc(C)cc(C)c3cc2c1	1696502	XIEFJNBXVCEFSH-UHFFFAOYSA-N	234.342	5.227	5	40	BKBB	biogenic
Cc1c(C)c2cccc3ccc4cccc1c4c32	2583663	MCZKPUHBCIHFBZ-UHFFFAOYSA-N	230.310	5.201	5	40	BKBB	
c1ccc2c(c1)sc1sc3ccccc3c12	49653	JHJWIJYPMMSYMQ-UHFFFAOYSA-N	240.352	5.269	5	40	BKBB	
CC(C)Cc1cc2ccccc2c2ccccc12	3161095	LORITKUURMONKB-UHFFFAOYSA-N	234.342	5.192	5	40	BKBB	
c1ccc2c(c1)ccc1ccc3ccsc3c12	6118357	HVDXWEZIEYUOMI-UHFFFAOYSA-N	234.323	5.208	5	40	BKBB	
c1ccc2c(c1)c1ccccc1c1sccc21	991450	OGOOBRWCZLKZSV-UHFFFAOYSA-N	234.323	5.208	5	40	BKBB	
C=Cc1c2ccccc2c(C=C)c2ccccc12	97436577	OHZORFZODBFHKN-UHFFFAOYSA-N	230.310	5.279	5	40	BKBB	
CCc1c(CC)c2ccccc2c2ccccc12	95864312	JURXVMQHSBALPL-UHFFFAOYSA-N	234.342	5.118	5	40	BKBB	
CCc1c2ccccc2c(CC)c2ccccc12	1661407	NZVLXSFYCZSHRF-UHFFFAOYSA-N	234.342	5.118	5	40	BKBB	
CCCCC[N+](C)(CCCCC)CCCCC	34144483	NDNHNDHVEAHYRC-UHFFFAOYSA-N	242.471	5.004	5	40	BKBB	
CCCc1ccc2ccc3cccc4ccc1c2c34	2539171	HIOZPFGGCXEPAP-UHFFFAOYSA-N	244.337	5.537	5	40	BKBB	
c1ccc2c(c1)ccc1c2ccc2ccsc21	991453	FYSWUOGCANSBCW-UHFFFAOYSA-N	234.323	5.208	5	40	BKBB	
CCc1ccc2c(c1)c(C)cc1c(C)cccc12	2558899	NFFCDFHAMXFVEK-UHFFFAOYSA-N	234.342	5.172	5	40	BKBB	
Cc1cccc2cc3ccc4ccccc4c3cc12	1601908	ARHCZXQENFEAFA-UHFFFAOYSA-N	242.321	5.455	5	40	BKBB	aggregator,in-vitro
c1cc2c(s1)c1ccsc1c1ccsc21	95933258	DKSAJSCNXULKER-UHFFFAOYSA-N	246.381	5.331	5	40	BKBB	
c1ccc2c(c1)ccc1ccc3sccc3c12	991449	XRJUVKFVUBGLMG-UHFFFAOYSA-N	234.323	5.208	5	40	BKBB	
Cc1ccc2c(ccc3cc(C(C)C)ccc32)c1	79669988	PZXAJZLIFJZISL-UHFFFAOYSA-N	234.342	5.425	5	40	BKBB	
Cc1cc(C)c2c(ccc3cc(C)cc(C)c32)c1	1722245	BZXXZUAJRXKPOF-UHFFFAOYSA-N	234.342	5.227	5	40	BKBB	
Cc1ccc2ccc3cc4ccccc4cc3c2c1	1601914	XPRFYYVRSILJDC-UHFFFAOYSA-N	242.321	5.455	5	40	BKBB	in-vitro
Cc1cc2ccc3cc(C)cc4ccc(c1)c2c34	2583664	GSKHIRFMTJUBSM-UHFFFAOYSA-N	230.310	5.201	5	40	BKBB	
c1ccc2sc3cc4ccccc4c-3cc2c1	3351108	NUOLRQLMGRGLCV-UHFFFAOYSA-N	234.323	5.159	5	40	BKBB	
CC(F)(F)c1c2ccccc2cc2ccccc12	72265635	LMERZGNDUBHSEO-UHFFFAOYSA-N	242.268	5.105	5	40	BKBB	
Cc1cc2cc3cc(C)c(C)cc3cc2cc1C	2572495	JGJWRGCEYNJFQJ-UHFFFAOYSA-N	234.342	5.227	5	40	BKBB	biogenic
Cc1ccc2c(C)cc3c(C)c(C)ccc3c2c1	2558897	XFJWRZAPBOJONX-UHFFFAOYSA-N	234.342	5.227	5	40	BKBB	
Clc1c(Cl)c2ccccc2c2ccccc12	1632780	VQJFGZPCLSPUPP-UHFFFAOYSA-N	247.124	5.300	5	40	BKBB	in-vitro
CCCCc1ccc2cc3ccccc3cc2c1	2169467	SGHGTABSBRRVLL-UHFFFAOYSA-N	234.342	5.336	5	40	BKBB	biogenic
Cc1cc2c(C)c3ccccc3c(C)c2cc1C	2383052	IIHOYEVHCCKZAN-UHFFFAOYSA-N	234.342	5.227	5	40	BKBB	
Cc1ccc2c3ccccc3c3ccccc3c2c1	68568934	AFSGCRGBKICCFF-UHFFFAOYSA-N	242.321	5.455	5	40	BKBB	
Cc1ccc2ccc3c(C)ccc4ccc1c2c43	96328889	ZRMDNMCLOTYRPK-UHFFFAOYSA-N	230.310	5.201	5	40	BKBB	
Clc1ccc2ccc3cccc4ccc1c2c34	1504543	WNYHOOQHJMHHQW-UHFFFAOYSA-N	236.701	5.237	5	40	BKBB	in-vitro
Fc1ccc2ccc3c4ccccc4ccc3c2c1	2539117	MUIBVBFEZPCUGU-UHFFFAOYSA-N	246.284	5.285	5	40	BKBB