smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
COc1ccc(C=C2C(=O)OC(C)(C)OC2=O)c(Cl)c1OC	84462	RCOJTPPNSMYMDV-UHFFFAOYSA-N	326.732	2.577	10	30	EFCC	
CN(C(=O)C(F)(F)F)c1cccc2c1C(=O)c1ccccc1C2=O	5965872	SJQUFRFGQDVTQZ-UHFFFAOYSA-N	333.265	2.987	10	30	EFCC	
CCOC(=O)[C@@H]1N(c2ccc(OC)cc2)CC[C@]1(O)c1ccccc1	1530508643	MQTBGFUJFJGVMF-ICSRJNTNSA-N	341.407	2.725	10	30	EFCC	
CCOC(=O)C1=C(C)NC(=O)C1=CNc1ccc(C(F)(F)F)cc1	2265269885	AKOQTAWMFITBNX-UHFFFAOYSA-N	340.301	2.968	10	30	EFCC	
CC(=O)N1CCC(C2=NNC(=O)[C@@H]2/N=N/c2ccc(Cl)cc2)CC1	100238934	ZVRZZOUKHHKXIN-UDJKBAMHSA-N	347.806	2.537	10	30	EFCC	
CN(C[C@H]1CO1)c1ccc(Cc2ccc(N(C)C[C@H]3CO3)cc2)cc1	255968243	CXXISLZOPXKTTK-SFTDATJTSA-N	338.451	2.947	10	30	EFCC	
CC(C)Nc1ccc(O)c2c1C(=O)c1c(O)ccc([N+](=O)[O-])c1C2=O	44710221	QUGVPYUFTHJBAS-UHFFFAOYSA-N	342.307	2.602	10	30	EFCC	
CCOC(=O)[C@H]1N(c2ccc(OC)cc2)CC[C@@]1(O)c1ccccc1	1530508647	MQTBGFUJFJGVMF-UYAOXDASSA-N	341.407	2.725	10	30	EFCC	
COc1ccc(/N=N/c2c(C)c(C#N)c(O)[nH]c2=O)c([N+](=O)[O-])c1	111490307	RIECVLDMNHKXER-ISLYRVAYSA-N	329.272	2.593	10	30	EFCC	
CC(=O)N1CCC(C2=NNC(=O)[C@H]2/N=N/c2ccc(Cl)cc2)CC1	100238937	ZVRZZOUKHHKXIN-LZICOFPGSA-N	347.806	2.537	10	30	EFCC	
COc1ccccc1N1CCN(CCCOc2ccc(N)cc2)CC1	5141370	OVTOGSIGZHPHRK-UHFFFAOYSA-N	341.455	2.869	10	30	EFCC	
CNc1ccc(NCCCN(C)C)c2c1C(=O)c1ccccc1C2=O	5115514	WBXFUQWYLUPTDE-UHFFFAOYSA-N	337.423	2.867	10	30	EFCC	
O=C(Nc1cccc(N2CCOCC2)c1)c1cccc2nsnc12	12340974	OJZINAAYXZQVRF-UHFFFAOYSA-N	340.408	2.780	10	30	EFCC	
Cc1cccc(OS(=O)(=O)c2cccc3c2C=CC(=[N+]=[N-])C3=O)c1	38635252	ZDHKVKPEDSPOQO-UHFFFAOYSA-N	340.360	2.643	10	30	EFCC	
Cc1ccccc1OS(=O)(=O)c1cccc2c1C=CC(=[N+]=[N-])C2=O	38635534	GHZGGNMYGQMYFH-UHFFFAOYSA-N	340.360	2.643	10	30	EFCC	
CC(=O)[C@@H](N=Nc1ccc(C)cc1[N+](=O)[O-])C(=O)Nc1ccccn1	255978571	IGUPBZTXTCLHMF-OAHLLOKOSA-N	341.327	2.978	10	30	EFCC	
COc1ccc(C(=O)[C@@H]2C(=O)c3cccc(NC(C)=O)c3C2=O)cc1	100135980	WMVMOPLFDKWJMQ-MRXNPFEDSA-N	337.331	2.532	10	30	EFCC	
CN(C[C@H]1CO1)c1ccc(Cc2ccc(N(C)C[C@@H]3CO3)cc2)cc1	5318363	CXXISLZOPXKTTK-OYRHEFFESA-N	338.451	2.947	10	30	EFCC	
COc1ccc(C(=O)[C@H]2C(=O)c3cccc(NC(C)=O)c3C2=O)cc1	100135983	WMVMOPLFDKWJMQ-INIZCTEOSA-N	337.331	2.532	10	30	EFCC	
O=C(/N=N/C(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1	72266057	BOVAQYVXNBAPKA-FOCLMDBBSA-N	328.240	2.936	10	30	EFCC	
CCOC(=O)[C@@H]1N(c2ccc(OC)cc2)CC[C@@]1(O)c1ccccc1	1530508628	MQTBGFUJFJGVMF-AZUAARDMSA-N	341.407	2.725	10	30	EFCC	
COc1ccc(N2CCN(C(=O)Nc3c(C)noc3C)CC2)cc1	1034912	ADHDGXTZGOBXMW-UHFFFAOYSA-N	330.388	2.654	10	30	EFCC	
COc1ccc(CN2CCN(Cc3ccccc3)CC2)c(O)c1OC	38542430	SYYDYQMUKFERQR-UHFFFAOYSA-N	342.439	2.727	10	30	EFCC	
Nc1ccc(NC(=O)CCCCC(=O)Nc2ccc(N)cc2)cc1	5161883	HVCRWARLEIATFU-UHFFFAOYSA-N	326.400	2.989	10	30	EFCC	
CCN(CCCl)c1ccc(/N=N/c2c(N)nc(N)nc2N)cc1	5422376	BZAFNEONRJEMMI-QURGRASLSA-N	334.815	2.704	10	30	EFCC	
N=Nc1cccc(C(=O)O)c1-c1ccc(N(CCO)CCO)cc1	223627712	MXTZBALVQQQPJY-UHFFFAOYSA-N	329.356	2.505	10	30	EFCC	
O=c1[nH]nc(Sc2ncc([N+](=O)[O-])s2)n1C1CCCCC1	2147557	JSCHYRRQXRSXOM-UHFFFAOYSA-N	327.391	2.593	10	30	EFCC	
COc1cc(N)ccc1N=Nc1ccc(N(CCO)CCO)cc1C	254814507	NDLYMLYUXCQTLP-UHFFFAOYSA-N	344.415	2.792	10	30	EFCC	
CN(C[C@@H]1CO1)c1ccc(Cc2ccc(N(C)C[C@@H]3CO3)cc2)cc1	5318353	CXXISLZOPXKTTK-NHCUHLMSSA-N	338.451	2.947	10	30	EFCC	
COc1cc(-c2cc(=O)c3cc(O)c(O)cc3o2)cc(OC)c1OC	14645031	COJGTOWPKOSQSC-UHFFFAOYSA-N	344.319	2.897	10	30	EFCC	
CC(=O)[C@H](N=Nc1ccc(C)cc1[N+](=O)[O-])C(=O)Nc1ccccn1	255978570	IGUPBZTXTCLHMF-HNNXBMFYSA-N	341.327	2.978	10	30	EFCC