smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=C(CBr)OC[C@@H](CO)OC(=O)CBr	111882523	RVDCRYPOOIAQIL-RXMQYKEDSA-N	333.960	0.224	50	30	ECGC	
O=[N+]([O-])c1nccn1C[C@H](O)CN[C@@H]1COCC[C@@H]1Br	13885744	BKORDMXMGXPXFW-KXUCPTDWSA-N	349.185	0.294	50	30	ECGC	
CC(=O)N1CCS[C@H]1C(=O)NNC(=O)c1ccc2c(c1)OCO2	158427	OIQPYHDRNOSKNF-AWEZNQCLSA-N	337.357	0.098	50	30	ECGC	
CC(=O)O[C@H]1[C@H](OC(C)=O)CO[C@@H](Br)[C@@H]1OC(C)=O	136073424	AVNRQUICFRHQDY-LMLFDSFASA-N	339.138	0.533	50	30	ECGC	
O=C(Cc1nc(-c2cnccn2)no1)NNC(=O)Nc1ccccc1	170819	BOHWECZBHCOBIE-UHFFFAOYSA-N	339.315	0.922	50	30	ECGC	
CCOC(=O)C(=CNNC(=O)c1ccc(OC)cc1)C(=O)OCC	2160992	QJSIMKAACUCJKF-UHFFFAOYSA-N	336.344	0.940	50	30	ECGC	
O=C1OC(=O)[C@@H]2[C@H]1[C@H]1O[C@H]2[C@H](Br)[C@H]1Br	253570802	OCPGECKNMMXUPB-WFCWIPFCSA-N	325.940	0.610	50	30	ECGC	
O=[N+]([O-])c1nccn1C[C@H](O)CN[C@H]1COCC[C@@H]1Br	53151222	BKORDMXMGXPXFW-UTLUCORTSA-N	349.185	0.294	50	30	ECGC	
O=C(CBr)OC[C@H](CO)OC(=O)CBr	111882520	RVDCRYPOOIAQIL-YFKPBYRVSA-N	333.960	0.224	50	30	ECGC	
CC1(C)O[C@@H]2[C@@H](CBr)O[C@@H](n3ccc(O)nc3=O)[C@@H]2O1	1536221941	OFUBUBFFUODMSG-PEBGCTIMSA-N	347.165	0.761	50	30	ECGC	
COc1ccc(CC(=O)NNC(=O)CSCC(=O)O)cc1OC	4371426	KKGQFXGSPYGHRW-UHFFFAOYSA-N	342.373	0.212	50	30	ECGC	
O=C(CBr)OCC(O)COC(=O)CBr	111903225	UVFRXPBXERGFTI-UHFFFAOYSA-N	333.960	0.224	50	30	ECGC	
NNC(=O)C[C@@H]1C(=O)NCCN1Cc1c(Cl)cccc1Cl	63594774	FBINGSWHPOHGSZ-LLVKDONJSA-N	331.203	0.674	50	30	ECGC	
COCCOCCO[Si](C)(CCCN)OCCOCCOC	200064842	LNYJHMOAJXQKBJ-UHFFFAOYSA-N	339.505	0.766	50	30	ECGC	
Nc1nonc1C(=O)NN=C1c2ccccc2-c2nc3nonc3nc21	575732307	KLSWJENGNAPRTN-UHFFFAOYSA-N	349.270	0.141	50	30	ECGC	
CCCCCn1nc(C)c(/C=N/NC(=O)C[C@@H]2NCCNC2=O)c1C	71405093	IGNXSFJWJOTUGO-BBJIBYMTSA-N	348.451	0.618	50	30	ECGC	
CC(C)NC(=O)NNC(=O)c1nn(-c2ccc(F)cc2)ccc1=O	2153945	DZCCPAHMXMGHTI-UHFFFAOYSA-N	333.323	0.724	50	30	ECGC	
Nc1nccnc1C(=O)NNS(=O)(=O)c1ccc(Cl)cc1	117486	BUJYDRLHCWGBQO-UHFFFAOYSA-N	327.753	0.336	50	30	ECGC	
CC(=O)NNC(=O)CS(=O)(=O)c1ccc(C(F)(F)F)cn1	6500233	ZNIMAUGNBOWYCL-UHFFFAOYSA-N	325.268	0.041	50	30	ECGC	
CC(C)(CC(=O)O)CC(=O)NNc1ccc(S(N)(=O)=O)cc1	4324976	OIDYWBBVZBSFRS-UHFFFAOYSA-N	329.378	0.668	50	30	ECGC	
O=C(Cn1c2c(c(=O)n3ncnc13)CCC2)N/N=C/c1cccs1	156905	LDHCTJZJYFJPHI-REZTVBANSA-N	342.384	0.592	50	30	ECGC	
COc1ccccc1NC(=O)NNC(=S)NCC(OC)OC	2143854	IWAAVVMJTZMQGU-UHFFFAOYSA-N	328.394	0.815	50	30	ECGC	
CC1(C)C[C@H](NC(=O)CNC(=O)CBr)C(C)(C)N1[O]	100074259	FCOQWAAKZGWIFF-QMMMGPOBSA-N	335.222	0.591	50	30	ECGC	
Cn1cnc2c1c(=O)n(CCCI)c(=O)n2C	39373696	VKHUHHFSOKRRJQ-UHFFFAOYSA-N	348.144	0.259	50	30	ECGC	
O=C1OC(=O)[C@H]2[C@H]1[C@H]1O[C@H]2[C@H](Br)[C@H]1Br	253570801	OCPGECKNMMXUPB-NCGNNJKGSA-N	325.940	0.610	50	30	ECGC	
OB(O)c1sc(Br)cc1I	1535644639	KWSFUVVAGHRODD-UHFFFAOYSA-N	332.753	0.795	50	30	ECGC	
CCCCCn1nc(C)c(/C=N/NC(=O)C[C@H]2NCCNC2=O)c1C	71405092	IGNXSFJWJOTUGO-PZUDMAOCSA-N	348.451	0.618	50	30	ECGC	
CC(=O)N1CCS[C@@H]1C(=O)NNC(=O)c1ccc2c(c1)OCO2	158430	OIQPYHDRNOSKNF-CQSZACIVSA-N	337.357	0.098	50	30	ECGC	
CNC(=S)NNC(=O)CSCCS(=O)(=O)c1ccccc1	3125942	XHDAVXKNRMOZFZ-UHFFFAOYSA-N	347.487	0.319	50	30	ECGC	
O=[N+]([O-])c1nccn1C[C@H](O)CN[C@H]1COCC[C@H]1Br	256066170	BKORDMXMGXPXFW-BBBLOLIVSA-N	349.185	0.294	50	30	ECGC	
O=C1CC[C@@H](C(=O)Oc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])N1	111892065	OHQGNVGQELARTB-LURJTMIESA-N	340.204	0.595	50	30	ECGC	
NNC(=O)C[C@H]1C(=O)NCCN1Cc1c(Cl)cccc1Cl	63594772	FBINGSWHPOHGSZ-NSHDSACASA-N	331.203	0.674	50	30	ECGC	
CC(=O)OC[C@H]1O[C@@H](Br)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	2506813	WIDXXHUKKJXPEP-CHWFTXMASA-N	339.138	0.533	50	30	ECGC	
O=C(OCc1ccccc1)N1CCN(c2ccc(B(O)O)cn2)CC1	212155912	QTNSVCONHCZUAV-UHFFFAOYSA-N	341.176	0.220	50	30	ECGC	
COc1cccc(-c2n[nH]cc2C=NNC(=O)Cn2cncn2)c1	2265278997	RCJNFVIZTNILQB-UHFFFAOYSA-N	325.332	0.827	50	30	ECGC	
NS(=O)(=O)c1ccc(NNC(=O)c2ccccc2C(=O)O)cc1	148209	DFCNMKRMECGGSN-UHFFFAOYSA-N	335.341	0.789	50	30	ECGC	
CN1CCN(CC(=O)N/N=C2\C(=O)Nc3ccc(Cl)cc32)CC1	38174864	QGNGJOHWYCVYDX-UHFFFAOYSA-N	335.795	0.360	50	30	ECGC	
CC1(C)C[C@@H](NC(=O)CNC(=O)CBr)C(C)(C)N1[O]	100074264	FCOQWAAKZGWIFF-MRVPVSSYSA-N	335.222	0.591	50	30	ECGC	
Cc1ccc(-c2nnn(CC(=O)NNC(=O)c3ccco3)n2)cc1	116915	LOWDFXGVIMUAMG-UHFFFAOYSA-N	326.316	0.703	50	30	ECGC	
COc1ccc(/C=N/NC(=O)c2nccnc2N)c(OC)c1OC	117476	LFDGITWXLRYJFG-UFWORHAWSA-N	331.332	0.849	50	30	ECGC	
N[C@@H](CCC(=O)OC(=O)[C@@H](N)Cc1c[nH]c2ccc(O)cc12)C(=O)O	100106945	DQHOFKWQRUXCMF-RYUDHWBXSA-N	349.343	0.005	50	30	ECGC