smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
COc1cc(Cc2nc3nc(C#N)c(C#N)nc3[nH]2)cc(S(=O)(=O)Cl)c1OC	586925458	PTAQZIKLKWYANF-UHFFFAOYSA-N	418.822	1.632	70	1	HDIF	
CS(=O)(=O)Nc1cccc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)c1	217125463	RHXJNLFCFWJXPY-IBGZPJMESA-N	403.504	1.207	70	1	HDIF	
Nc1ncnc2c1ncn2C1CCN(C(=O)c2ccc(S(=O)(=O)F)cc2)CC1	1857753742	NVKCMEFGMGNTPO-UHFFFAOYSA-N	404.427	1.544	70	1	HDIF	
CC1=C[C@]2(N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)/C(=C\S(=O)(=O)Cl)NN1	962768847	RRDIMUQUMMCZBD-PUWKQBKRSA-N	421.828	1.949	70	1	HDIF	
NS(=O)(=O)c1nc2ccc(OCCOS(=O)(=O)C(F)(F)F)cc2s1	34718129	DMOIIDXHXUHFJK-UHFFFAOYSA-N	406.385	1.189	70	1	HDIF	
CN1C(=O)NC(=O)[C@@]12CC[C@@]1(O)[C@H]3Cc4ccc(O)cc4[C@@]1(CCN3CC1CC1)C2	218547463	ZYSHTLSYJXPUQO-TWHAJKEOSA-N	411.502	1.506	70	1	HDIF	
CC1=C[C@]2(N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)/C(=C/S(=O)(=O)Cl)NN1	962768845	RRDIMUQUMMCZBD-KDUJCLPVSA-N	421.828	1.949	70	1	HDIF	
CCC(=O)[C@@H](C#N)C(=O)Nc1ccc(OS(=O)(=O)C(F)(F)F)c(C(=O)OC)c1	169725486	QGEXTPDFIYKESL-SNVBAGLBSA-N	422.337	1.759	70	1	HDIF	
CN1CCN(Cc2cccc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)c2)CC1	217030317	HAFZISDFDQWRER-DEOSSOPVSA-N	422.573	1.583	70	1	HDIF	
Nc1ncnc2c1cnn2C1CCN(C(=O)c2ccc(S(=O)(=O)F)cc2)CC1	1857759879	AKZZVXRTBVBUTI-UHFFFAOYSA-N	404.427	1.544	70	1	HDIF	
COc1cc(Cc2nc3c(O)nc(O)nc3[nH]2)cc(S(=O)(=O)Cl)c1OC	586925937	ZGVRXQJFBMQRSJ-UHFFFAOYSA-N	400.800	1.300	70	1	HDIF	
OB(c1ccccc1)c1cccc(COCc2cccc(B(O)c3ccccc3)c2)c1	169912800	MCRCQAHGZJEILZ-UHFFFAOYSA-N	406.099	1.599	70	1	HDIF	
NC(=O)Cn1cc(-c2ccc(N3CCC(N4CCc5ccc(F)cc54)CC3)nn2)cn1	218760191	LTYKVUFYQBRYHV-UHFFFAOYSA-N	421.480	1.996	70	1	HDIF	
CC(C)C[C@@H](CS(=O)(=O)F)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(C)C	95564708	IKZLEGITUXRMBA-JYJNAYRXSA-N	409.568	1.721	70	1	HDIF	
COc1cc(Cc2nc3[nH]c(=N)[nH]c(Cl)c-3n2)cc(S(=O)(=O)Cl)c1OC	586925270	NQVIEOKSMASZKC-UHFFFAOYSA-N	418.262	1.906	70	1	HDIF	
O=C(CCCN1C(=O)c2ccccc2C1=O)c1ccn(-c2ccc3c(c2)B(O)OC3)c1	221695547	PPXGGKHJEOZYPN-UHFFFAOYSA-N	414.226	1.954	70	1	HDIF	
CCC(=O)[C@H](C#N)C(=O)Nc1ccc(OS(=O)(=O)C(F)(F)F)c(C(=O)OC)c1	169725487	QGEXTPDFIYKESL-JTQLQIEISA-N	422.337	1.759	70	1	HDIF	
Cc1nc(N)c2ncn(C3CCN(C(=O)c4ccc(S(=O)(=O)F)cc4)CC3)c2n1	1857644944	XZQDVLFMAUJPRB-UHFFFAOYSA-N	418.454	1.852	70	1	HDIF	
Cn1nnc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1S(=O)(=O)Cl	587895235	DQZYUFHVRSWLCB-UHFFFAOYSA-N	421.693	1.760	70	1	HDIF	
CS(=O)(=O)Nc1ccc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)cc1	217030515	YTWFJGHYCYWUIX-IBGZPJMESA-N	403.504	1.207	70	1	HDIF	
CC1=C[C@]2(N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)/C(=C/S(=O)(=O)Cl)NN1	962768846	RRDIMUQUMMCZBD-LJIOFZCZSA-N	421.828	1.949	70	1	HDIF	
Cc1nc(N)c2cnn(C3CCN(C(=O)c4ccc(S(=O)(=O)F)cc4)CC3)c2n1	1857756559	LOCKTYLDSLKJBO-UHFFFAOYSA-N	418.454	1.852	70	1	HDIF	
COc1cc(Cc2nc3c(O)nc(S)nc3[nH]2)cc(S(=O)(=O)Cl)c1OC	586924784	ISAWONSLSYSSNQ-UHFFFAOYSA-N	416.868	1.883	70	1	HDIF	
O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cccc(CN2CCOCC2)c1	217060494	AEQPZRDGTOSHNI-QHCPKHFHSA-N	409.530	1.668	70	1	HDIF	
CS(=O)(=O)Nc1ccccc1C(=O)NC[C@H](O)CN1CCc2ccccc2C1	217030037	ITKVBCUHRRICIL-KRWDZBQOSA-N	403.504	1.207	70	1	HDIF	
Nc1ncnc2c1ncn2[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)F)cc2)C1	1857760998	AMXBUQUDATWNBM-GFCCVEGCSA-N	404.427	1.544	70	1	HDIF	
COc1cc(Cc2nc3ccc(C(=O)NN)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC	586925528	SGHQBERQQIIRNR-UHFFFAOYSA-N	424.866	1.702	70	1	HDIF	
CC1=C[C@]2(N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)/C(=C\S(=O)(=O)Cl)NN1	962768848	RRDIMUQUMMCZBD-SFPHSEHVSA-N	421.828	1.949	70	1	HDIF	
COc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@H](C2)[C@]1(O)CC[C@@]1(C3)NC(=O)NC1=O	218570842	IFGKJKCZKHOISW-TWHAJKEOSA-N	411.502	1.467	70	1	HDIF	
CN1CC[C@]23c4c5ccc(OS(=O)(=O)C(F)(F)F)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5	36221967	BDSVSSUCVRQXEW-KOFBORESSA-N	417.405	1.721	70	1	HDIF