smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
C[C@H](N[C@H](C)[C@@H](C)c1ccccc1)c1ccco1	160166673	ZJRROQLCVRDPKZ-MCIONIFRSA-N	243.350	4.122	70	20	BIID	
CC[C@@H](Sc1ccncc1)c1ccc(F)cc1	159874001	AJZWFKPBIQBUHH-CQSZACIVSA-N	247.338	4.464	70	20	BIID	
C[C@H](Sc1ccncc1)c1ccccc1F	159976057	OYMJGGQHSGNPAW-JTQLQIEISA-N	233.311	4.074	70	20	BIID	
Cc1cccc([C@@H](C)Sc2ccncc2)c1	159914677	FAJRLKZYAWXWJL-GFCCVEGCSA-N	229.348	4.243	70	20	BIID	
COc1cc(N[C@H](C)CCC(C)C)ccc1F	160137791	UDWXCYAKUVWQTI-LLVKDONJSA-N	239.334	4.071	70	20	BIID	
CCOCCSCc1ccc(C(C)C)cc1	217458044	ZVUGJUUUABUIBS-UHFFFAOYSA-N	238.396	4.080	70	20	BIID	
Cc1ccccc1NC(=O)Nc1cscc1C	159581218	IBKBGQCGTLFMPF-UHFFFAOYSA-N	246.335	4.009	70	20	BIID	
COCCCCCN(c1ccccc1C)C(C)C	217226660	FTKYHBDORWXBEB-UHFFFAOYSA-N	249.398	4.027	70	20	BIID	
C[Si](C)(Cl)CC[C@H]1C[C@H]2C=C[C@H]1C2	169876865	UFEKKYNQUHJSEC-DCAQKATOSA-N	214.812	4.033	70	20	BIID	
O=C(OC1CCCC1)c1csc2ccccc12	218476514	AGKBCCGVNABBRY-UHFFFAOYSA-N	246.331	4.001	70	20	BIID	
CC1(NCc2ccc(Cl)cc2Cl)CCC1	160003376	FRNYQUXKGYAVCR-UHFFFAOYSA-N	244.165	4.026	70	20	BIID	
C[C@H]1CCCC[C@@H]1CN[C@H](C)c1cccs1	218416711	MSDHXEDRJBPNQU-YNEHKIRRSA-N	237.412	4.225	70	20	BIID	
CCCC[C@H](N[C@H](C)c1ccccn1)C1CCC1	159675321	MTBMYXKACHTRIY-CJNGLKHVSA-N	246.398	4.091	70	20	BIID	
Cc1cc(C(C)(C)C)c2occ(C)c2c1	160622705	YNVFMFPLGWTVRI-UHFFFAOYSA-N	202.297	4.347	70	20	BIID	
CCCCCCN1CCC[C@@H]1c1cccs1	216665564	HUNIOJRWSJVKKN-CYBMUJFWSA-N	237.412	4.465	70	20	BIID	
C[C@H]1CCCC[C@H]1CN[C@H](C)c1cccs1	218416626	MSDHXEDRJBPNQU-XQQFMLRXSA-N	237.412	4.225	70	20	BIID	
CC(C)(C)c1cccc(OCc2nccs2)c1	161142645	MRPSSEFRTITFBW-UHFFFAOYSA-N	247.363	4.020	70	20	BIID	
CCCC[C@@H](N[C@H](C)c1ccccn1)C1CCC1	159675416	MTBMYXKACHTRIY-CZUORRHYSA-N	246.398	4.091	70	20	BIID	
CCCC[C@@H](N[C@@H](C)c1ccccn1)C1CCC1	159675251	MTBMYXKACHTRIY-XJKSGUPXSA-N	246.398	4.091	70	20	BIID	
CCCC[C@H](N[C@@H](C)c1ccccn1)C1CCC1	159675152	MTBMYXKACHTRIY-BBRMVZONSA-N	246.398	4.091	70	20	BIID	
Cc1cccc(OCc2cccc(F)c2)c1C	217403827	TUCZTLYNVGXUHE-UHFFFAOYSA-N	230.282	4.022	70	20	BIID	
C[C@H]1CCCC[C@H]1CN[C@H](C)c1ccc(F)cc1	218158274	CAAKUFHRQADELD-GUTXKFCHSA-N	249.373	4.303	70	20	BIID	
CCC[C@H](C(=O)OC1CCCC1)c1ccccc1	218475329	NDAKHQWNRSUKQI-HNNXBMFYSA-N	246.350	4.056	70	20	BIID	
CCc1ccc([C@@H](C)NCc2ccc(C)s2)o1	160945638	WUAKVDGXJHYPME-LLVKDONJSA-N	249.379	4.063	70	20	BIID	
Cc1cccc([C@@H](C)N[C@@H](C)c2ccco2)c1C	160165647	YUWLRLVRAVRQMY-KGLIPLIRSA-N	243.350	4.308	70	20	BIID	
Cc1cccc(OCc2ccccc2F)c1C	217402417	WDPLAFRBVLCCQD-UHFFFAOYSA-N	230.282	4.022	70	20	BIID	
COc1cc(N[C@H](C)c2ccccc2)ccc1F	159983983	ZHYQIBVVGDLZLX-LLVKDONJSA-N	245.297	4.007	70	20	BIID	
C[C@H](N[C@@H](C)[C@H](C)c1ccccc1)c1ccco1	160167039	ZJRROQLCVRDPKZ-IHRRRGAJSA-N	243.350	4.122	70	20	BIID	
CCCC[C@@H](CC)Nc1ccc(F)c(OC)c1	159993218	UBVGIFOFQPHGNN-LLVKDONJSA-N	239.334	4.215	70	20	BIID	
CCCOc1ccccc1OCc1ccccc1	217652640	XNKDIRABHVBFHG-UHFFFAOYSA-N	242.318	4.054	70	20	BIID	
C[C@H]1CCCC[C@@H]1CN[C@H](C)c1ccc(F)cc1	218158348	CAAKUFHRQADELD-GZBFAFLISA-N	249.373	4.303	70	20	BIID	
C[C@@H](NCCC1CCC1)c1ccc(Cl)s1	160795586	KLCBBAJZGSXCIA-SECBINFHSA-N	243.803	4.242	70	20	BIID	
CC[C@H](Nc1cccc(C)c1)c1ccc(F)cn1	161302842	XVVOECUEAIZKNG-AWEZNQCLSA-N	244.313	4.092	70	20	BIID	
CCc1ccc([C@H](C)NCc2ccc(C)s2)o1	160945771	WUAKVDGXJHYPME-NSHDSACASA-N	249.379	4.063	70	20	BIID	
COc1cc(N[C@@H](C)CCC(C)C)ccc1F	160137918	UDWXCYAKUVWQTI-NSHDSACASA-N	239.334	4.071	70	20	BIID	
CC[C@@H](Nc1cccc(C)c1)c1ccc(F)cn1	161302961	XVVOECUEAIZKNG-CQSZACIVSA-N	244.313	4.092	70	20	BIID	
C[C@H]1CCCC[C@@H]1CN[C@H](C)c1ccccc1	218414995	MDORDBIONRMWLZ-SQWLQELKSA-N	231.383	4.164	70	20	BIID	
CC[C@@H](Nc1ccc(C)cc1)c1ccc(F)cn1	161310137	KNJMMBCCPDBFSV-CQSZACIVSA-N	244.313	4.092	70	20	BIID	
F[B-](F)(F)c1cc2ccccc2c2ccccc12	1875251740	MPPBTSLSQCEJAA-UHFFFAOYSA-N	245.032	4.047	70	20	BIID	
CC(C)C1CCN([C@H](C)c2ccccc2)CC1	216703122	POAYGWOADOUQLP-CQSZACIVSA-N	231.383	4.116	70	20	BIID	
Cc1cc(SCC(C)C)c2ccccc2n1	218465975	KJCXOXHAGZFXLP-UHFFFAOYSA-N	231.364	4.291	70	20	BIID	
Cc1cccc([C@H](C)Sc2ccncc2)c1	159914819	FAJRLKZYAWXWJL-LBPRGKRZSA-N	229.348	4.243	70	20	BIID	
CC1(NCc2cccc(Cl)c2Cl)CCC1	160004112	SYYWLACSKFLTBZ-UHFFFAOYSA-N	244.165	4.026	70	20	BIID	
Cc1cccc([C@H](C)N[C@@H](C)c2ccco2)c1C	160165763	YUWLRLVRAVRQMY-KBPBESRZSA-N	243.350	4.308	70	20	BIID	
CCCCCCN1CCC[C@H]1c1cccs1	216665610	HUNIOJRWSJVKKN-ZDUSSCGKSA-N	237.412	4.465	70	20	BIID	
CC[C@H](Nc1ccc(C)cc1)c1ccc(F)cn1	161310008	KNJMMBCCPDBFSV-AWEZNQCLSA-N	244.313	4.092	70	20	BIID	
Fc1ccc(CSCCC(F)(F)F)cc1	217056336	GZUZYQMNLDOJKA-UHFFFAOYSA-N	238.249	4.011	70	20	BIID	
C[C@H](NCCC1CCC1)c1ccc(Cl)s1	160795464	KLCBBAJZGSXCIA-VIFPVBQESA-N	243.803	4.242	70	20	BIID	
CC(C)c1ccc(CSCc2ccon2)cc1	217217898	QEERNAHFWMGNNB-UHFFFAOYSA-N	247.363	4.231	70	20	BIID	
CC[C@H](Sc1ccnc(C)n1)c1ccccc1	161088031	RTZUCFJCLRXLIP-ZDUSSCGKSA-N	244.363	4.028	70	20	BIID	
FCCCSCc1ccc(F)c(Cl)c1	218186947	WXIBIOKPHWHQQZ-UHFFFAOYSA-N	236.714	4.072	70	20	BIID	
CCC[C@@H](NC(=O)C(CC)CC)c1ccccc1	218557182	BXIHEJXYWUQQMY-OAHLLOKOSA-N	247.382	4.080	70	20	BIID	
CC1(NCc2ccc(Cl)c(Cl)c2)CCC1	160002817	GXLXAEFAPXZRKU-UHFFFAOYSA-N	244.165	4.026	70	20	BIID	
CCCC[C@H](CC)Nc1ccc(F)c(OC)c1	159993296	UBVGIFOFQPHGNN-NSHDSACASA-N	239.334	4.215	70	20	BIID	
Cc1cc(NCc2cccc3ccccc23)ccn1	160920358	DYOUEDDBSWLXDS-UHFFFAOYSA-N	248.329	4.155	70	20	BIID	
Cc1cccc([C@H](C)N[C@H](C)c2ccco2)c1C	160166005	YUWLRLVRAVRQMY-UONOGXRCSA-N	243.350	4.308	70	20	BIID	
CCCC(CCC)Nc1ccc(F)c(OC)c1	160054942	VDJLWBOAVMYDLU-UHFFFAOYSA-N	239.334	4.215	70	20	BIID	
CCC[C@@H](C(=O)OC1CCCC1)c1ccccc1	218475257	NDAKHQWNRSUKQI-OAHLLOKOSA-N	246.350	4.056	70	20	BIID	
CC[C@@H](Sc1ccnc(C)n1)c1ccccc1	161088154	RTZUCFJCLRXLIP-CYBMUJFWSA-N	244.363	4.028	70	20	BIID	
CC1(NCc2cc(Cl)cc(Cl)c2)CCC1	160009851	DYURMHDOXTXPMY-UHFFFAOYSA-N	244.165	4.026	70	20	BIID	
CCC[C@H](NC(=O)C(CC)CC)c1ccccc1	218557282	BXIHEJXYWUQQMY-HNNXBMFYSA-N	247.382	4.080	70	20	BIID	
C[C@@H](Sc1ccncc1)c1ccccc1F	159976171	OYMJGGQHSGNPAW-SNVBAGLBSA-N	233.311	4.074	70	20	BIID	
CC[C@@H](C)c1ccc(OCc2cc(C)on2)cc1	218477121	RETQAXDTULVCIH-LLVKDONJSA-N	245.322	4.076	70	20	BIID	
Cc1cccc(OCc2ccc(F)c(F)c2)c1C	218181119	CMIHVOMMXKSDNP-UHFFFAOYSA-N	248.272	4.161	70	20	BIID	
C[C@H]1CCCC[C@H]1CN[C@H](C)c1ccccc1	218414900	MDORDBIONRMWLZ-LZWOXQAQSA-N	231.383	4.164	70	20	BIID	
C[C@H](N[C@@H](C)[C@@H](C)c1ccccc1)c1ccco1	160166930	ZJRROQLCVRDPKZ-RDBSUJKOSA-N	243.350	4.122	70	20	BIID	
CC(C)(C)OCCCSc1ccc(F)cc1	218613503	BOPUGGUQTLYPAH-UHFFFAOYSA-N	242.359	4.123	70	20	BIID	
Cc1cccc([C@@H](C)N[C@H](C)c2ccco2)c1C	160165887	YUWLRLVRAVRQMY-ZIAGYGMSSA-N	243.350	4.308	70	20	BIID	
COc1cc(N[C@@H](C)c2ccccc2)ccc1F	159983878	ZHYQIBVVGDLZLX-NSHDSACASA-N	245.297	4.007	70	20	BIID	
C[Si](C)(Cl)CC[C@@H]1C[C@H]2C=C[C@H]1C2	169876862	UFEKKYNQUHJSEC-GARJFASQSA-N	214.812	4.033	70	20	BIID	
CC[C@H](C)c1ccc(OCc2cc(C)on2)cc1	218477201	RETQAXDTULVCIH-NSHDSACASA-N	245.322	4.076	70	20	BIID	
CC[C@H](Sc1ccncc1)c1ccc(F)cc1	159873863	AJZWFKPBIQBUHH-AWEZNQCLSA-N	247.338	4.464	70	20	BIID	
CC1(NCc2cc(Cl)ccc2Cl)CCC1	159997581	ZPGAPMMKRDLIBX-UHFFFAOYSA-N	244.165	4.026	70	20	BIID	
C[C@H](N[C@H](C)[C@H](C)c1ccccc1)c1ccco1	160166812	ZJRROQLCVRDPKZ-MJBXVCDLSA-N	243.350	4.122	70	20	BIID	
C/C=C(/C)C(=O)Nc1ccccc1SC(C)C	160892659	ZNXRYUXNOULAAU-WZUFQYTHSA-N	249.379	4.092	70	20	BIID