smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
Cl[Si](c1ccccc1)(c1ccccc1)C(c1ccccc1)c1ccccc1	169817275	JQHRMCIYDIBZKO-UHFFFAOYSA-N	384.982	5.356	70	50	GKIA	
C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4C[C@@]5(C)C[C@H]4CC(C)(C)C5)[C@H]3C=C12	217360246	KOTBZCSHVIMQNP-SJQUUXEPSA-N	385.592	5.201	70	50	GKIA	biogenic
O=C1C[C@H](c2ccc(F)c(F)c2)c2c(ccc3c2OC2(CCCCC2)CC3=O)O1	218470628	VBPPAMGCOGCEIL-OAHLLOKOSA-N	398.405	5.074	70	50	GKIA	
Cc1cc(NC(=O)c2cc(F)c(Cl)cc2Cl)n(-c2ccc(F)cc2)n1	217364818	YEVUUDROUIDXQF-UHFFFAOYSA-N	382.197	5.018	70	50	GKIA	
CCCCCCCCCCCCCCCCCC[Si](Cl)(Cl)Cl	169743026	PYJJCSYBSYXGQQ-UHFFFAOYSA-N	387.939	8.903	70	50	GKIA	in-vitro
CC(C)(C)OC(=O)CCCCCCCCCCCCCCCBr	117653237	MVCZYBUUWMFTCP-UHFFFAOYSA-N	391.434	7.184	70	50	GKIA	
Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N[C@@H]1CCOC2(CCCC2)C1	160115678	KRNCFDUFLCVIQJ-GFCCVEGCSA-N	396.965	5.055	70	50	GKIA	
CC(C)n1cc(CCCC(=O)N2CCCC[C@H]2c2cccnc2)c2ccccc21	218009129	MKKIBELFFBYQPC-QHCPKHFHSA-N	389.543	5.694	70	50	GKIA	biogenic
CCC[B-]1(CCC)N(c2ccccc2C)C(=O)N(c2ccccc2)c2cccc[n+]21	195788135	QBOOCYHXEHHYBV-UHFFFAOYSA-N	399.347	6.171	70	50	GKIA	
CC(C)(C)c1cc([C@H]2CC(=O)Oc3cc4c(cc32)OCO4)cc(C(C)(C)C)c1O	218327285	LSFAZZYOGVXDHZ-CQSZACIVSA-N	396.483	5.157	70	50	GKIA	
COc1ccc(-c2coc3ccc(OC/C=C/c4ccccc4)cc23)cc1OC	217728150	DGHLVTMIRJDYKZ-RMKNXTFCSA-N	386.447	6.209	70	50	GKIA	biogenic
Cc1cc(C)c([SiH](Sc2ccccc2C)c2c(C)cc(C)cc2C)c(C)c1	225785437	VERCGAROYQQSFM-UHFFFAOYSA-N	390.668	5.476	70	50	GKIA	
C[C@H](C1=CC=C/C1=[P+](/[O-])C(C)(C)C)P(c1ccccc1)c1ccccc1	206544149	POCKRSASKYHVGH-GOSISDBHSA-N	380.408	4.732	70	50	GKIA	
COc1cc(Oc2ccccc2)ccc1NC(=O)c1csc([C@@H]2CCCO2)n1	161000899	ORKAAVKWSJVOTO-SFHVURJKSA-N	396.468	5.048	70	50	GKIA	
CC(C)(C)c1cc([C@@H]2CC(=O)Oc3cc4c(cc32)OCO4)cc(C(C)(C)C)c1O	218327197	LSFAZZYOGVXDHZ-AWEZNQCLSA-N	396.483	5.157	70	50	GKIA	
O=C(NCCc1c[nH]c2ccc(F)cc12)c1sc(Cl)nc1-c1ccccc1	218535843	JIYYSQUMJOMVNI-UHFFFAOYSA-N	399.878	5.056	70	50	GKIA	
COc1ccc(CCC(=O)N[C@H](c2nc3ccccc3n2C(C)C)C(C)C)cc1	218163620	VXZWMOSDDNVUKF-QHCPKHFHSA-N	393.531	5.072	70	50	GKIA	
COc1ccccc1-c1nc(C(=O)N2C[C@@H](C)CSc3ccccc32)cs1	159551827	IIJWCDIMIDKHLP-CQSZACIVSA-N	396.537	5.207	70	50	GKIA	
CC1(C)[C@@H]2C[C@H]([BH-]3C4CCCC3CCC4)[C@@H](CCOCc3ccccc3)[C@H]1C2	170160776	HUEIMRDBKQBEMV-PVTSOHDWSA-N	379.417	6.981	70	50	GKIA	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[Si](Cl)(Cl)Cl	169806128	ZCVOUFBEEYGNOL-UHFFFAOYSA-N	381.525	5.500	70	50	GKIA	
O=C1C[C@@H](c2ccc(F)c(F)c2)c2c(ccc3c2OC2(CCCCC2)CC3=O)O1	218470567	VBPPAMGCOGCEIL-HNNXBMFYSA-N	398.405	5.074	70	50	GKIA	
Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N[C@H]1CCOC2(CCCC2)C1	160115800	KRNCFDUFLCVIQJ-LBPRGKRZSA-N	396.965	5.055	70	50	GKIA	
CC(C)n1cc(CCC(=O)N2CCCC[C@H]2c2cccnc2)c2ccccc21	218119680	BBOCCWSAFWWUNV-QFIPXVFZSA-N	375.516	5.304	70	50	GKIA	biogenic
CCCCN(CCCC)C(=O)Nc1cccc2c(S(=O)(=O)Cl)cccc12	95698215	GWUYDQYWBUXTSH-UHFFFAOYSA-N	396.940	5.201	70	50	GKIA	
CCCCP(CCCC)(CCCC)=C1C(=O)C=NN(c2ccccc2)C1=O	169585909	ZETZUFVRCLLFLJ-UHFFFAOYSA-N	388.492	5.178	70	50	GKIA	
C[Si](C)(Cl)C1([P+](c2ccccc2)(c2ccccc2)c2ccccc2)CC1	169829309	JYQKQOKRLFTVCJ-UHFFFAOYSA-N	395.966	5.496	70	50	GKIA	
C[C@@H](C1=CC=C/C1=[P+](/[O-])C(C)(C)C)P(c1ccccc1)c1ccccc1	206544104	POCKRSASKYHVGH-SFHVURJKSA-N	380.408	4.732	70	50	GKIA	
COc1cc(Oc2ccccc2)ccc1NC(=O)c1csc([C@H]2CCCO2)n1	161001018	ORKAAVKWSJVOTO-GOSISDBHSA-N	396.468	5.048	70	50	GKIA	
CCC[B-]1(CCC)N(C2CCCCC2)C(NC2CCCCC2)=Nc2cccc[n+]21	169794755	MMTJWSFLDMTFGE-UHFFFAOYSA-N	396.432	5.643	70	50	GKIA	
O=S(=O)(Cl)c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1	95671157	ASKQXUWYESLZKG-UHFFFAOYSA-N	388.716	5.319	70	50	GKIA	
COc1ccccc1-c1nc(C(=O)N2C[C@H](C)CSc3ccccc32)cs1	159551967	IIJWCDIMIDKHLP-AWEZNQCLSA-N	396.537	5.207	70	50	GKIA	
O=S(=O)(Cl)c1cccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1	100644162	MYMUROIBJCPGHV-UHFFFAOYSA-N	388.716	5.319	70	50	GKIA	
COC(=O)c1ccc(COc2ccc3occ(-c4ccc(OC)cc4)c3c2)o1	217876678	LSPVWLNFBORUPT-UHFFFAOYSA-N	378.380	5.067	70	50	GKIA	biogenic
CCn1nc(C(C)C)cc1C(=O)N1[C@H]2CC[C@@H]1C[C@H](c1ccc(F)c(C)c1)C2	217165277	BTHABRZMUGZAIA-REPLKXPHSA-N	383.511	5.025	70	50	GKIA