smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CC(C)(C)OC(=O)N1CC2(CO[C@H](CI)C2)C1	334163848	NDYHHOYSJDFRIZ-VIFPVBQESA-N	353.200	2.447	50	30	FEGC	
CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(C(=O)CBr)c1	38635138	UIWCLPRSQHCCHA-UHFFFAOYSA-N	373.203	2.385	50	30	FEGC	
CNC(=S)NNC(=O)CSCc1nc(-c2ccccc2)cs1	4361594	RKXTXHJDXQIKPZ-UHFFFAOYSA-N	352.510	2.168	50	30	FEGC	
COC(=O)c1ccccc1NC(=S)NNC(=O)c1ccc([N+](=O)[O-])cc1	4307234	HHRZLERJQDNKRR-UHFFFAOYSA-N	374.378	2.013	50	30	FEGC	
COc1cccc(CC(=O)NNC(=O)c2cnn(-c3ccccc3)c2C)c1	1035120	JCSSIQWPPFXSGR-UHFFFAOYSA-N	364.405	2.193	50	30	FEGC	
CCC=NNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	263630300	BFTKPJNWKGFOCQ-UHFFFAOYSA-N	357.863	2.253	50	30	FEGC	
O=C(C[C@@H]1Sc2ccccc2NC1=O)NNC(=O)Nc1ccccc1	1038048	IJALIXYJGIIHJR-AWEZNQCLSA-N	356.407	2.342	50	30	FEGC	
O=C(CSCC(=O)Nc1ccccc1)NNC(=O)Nc1ccccc1	3126423	DEUHPQNQTKRFKL-UHFFFAOYSA-N	358.423	2.211	50	30	FEGC	
O=S(=O)(/N=C(\O)C(Br)Br)c1ccccc1	3604776	HGCIBTXRZGHPJF-UHFFFAOYSA-N	357.023	2.448	50	30	FEGC	
COc1cc(C=NNC(=O)c2ccc(N3CCCC3=O)cc2)ccc1O	254745867	BAFOHJMXRKRXEO-UHFFFAOYSA-N	353.378	2.292	50	30	FEGC	
CCOC(=O)/C(C#N)=C/N/C(=N\N=C\c1ccc2c(c1)OCO2)SC	4300239	XDIRRSVLNVFMJA-UOOWHWNISA-N	360.395	2.028	50	30	FEGC	
Cc1ccc(C(=O)NNC(=O)CSCC(=O)Nc2ccccc2)cc1	3127649	NRADXJBPNPCBQA-UHFFFAOYSA-N	357.435	2.128	50	30	FEGC	
CNC(=S)NNC(=O)CSc1cc(C(F)(F)F)nc2ccccc12	3119673	VXMIXBIVMWGNNZ-UHFFFAOYSA-N	374.413	2.471	50	30	FEGC	
COC(=O)c1ccccc1S(=O)(=O)/C(C#N)=C/Nc1nc(C)cc(C)n1	1037423	BODCTYYDEMDEAQ-JLHYYAGUSA-N	372.406	2.131	50	30	FEGC	
COC(=O)/C(C#N)=C/c1cc(Br)c(OC(C)=O)c(OC)c1	1043487	WSEDOQRMMBKFCR-ONNFQVAWSA-N	354.156	2.463	50	30	FEGC	
CN(C)c1ccc(C(=O)NNS(=O)(=O)c2ccc(Cl)cc2)cc1	4307074	CBXQQWIZSDNMEA-UHFFFAOYSA-N	353.831	2.029	50	30	FEGC	
COc1cccc(/C=N/NC(=O)CN2C(=O)CSc3ccccc32)c1	1036447	RTFUCBDUKJZDJR-VXLYETTFSA-N	355.419	2.284	50	30	FEGC	
CCOC(=O)C12CC(CI)(C1)OC21CCOCC1	1535645015	OHVLHMARZGHTQI-UHFFFAOYSA-N	366.195	2.083	50	30	FEGC	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)OCC[N+](C)(C)CCCO)cc1	38646376	DFUQHYDELAWVJS-KNTRCKAVSA-N	374.505	2.442	50	30	FEGC	
C[C@@H]1CN(c2ncc(C=NNC(=O)c3ccccc3O)s2)C[C@@H](C)O1	254408654	XFRQGTAEGQNQDK-VXGBXAGGSA-N	360.439	2.226	50	30	FEGC	
O=C(NNC(=O)c1cc2ncc(C(F)(F)F)cc2s1)c1ccno1	1048017	KAHDXAJBJIJVFJ-UHFFFAOYSA-N	356.285	2.378	50	30	FEGC	
Cc1cc(C(=O)NNC(=S)Nc2cccc(C(F)(F)F)c2)nn1C	1047276	CUYIHMJYROPLDA-UHFFFAOYSA-N	357.361	2.379	50	30	FEGC	
CC(C)(C)OC(=O)N1CC2(CCO[C@@H]2CI)C1	757216562	GYGNBHZKLFYEBE-SECBINFHSA-N	353.200	2.447	50	30	FEGC	
CN(NC(=O)NC(=O)c1ccc(F)c(Cl)c1)c1ccc([N+](=O)[O-])cn1	4300319	GCWBIMWZKRKLNA-UHFFFAOYSA-N	367.724	2.273	50	30	FEGC	
C[C@H]1CN(c2ncc(C=NNC(=O)c3ccccc3O)s2)C[C@H](C)O1	254408648	XFRQGTAEGQNQDK-RYUDHWBXSA-N	360.439	2.226	50	30	FEGC	
Cc1cc(C(=O)NNS(=O)(=O)c2cccc(Cl)c2)nn1C(C)(C)C	1028346	ACVQEGVUBSPCJS-UHFFFAOYSA-N	370.862	2.223	50	30	FEGC	
O=C(CSCC(=O)Nc1ccccc1)NNC(=S)Nc1ccccc1	3127667	BVDQWCILHVWVTM-UHFFFAOYSA-N	374.491	2.376	50	30	FEGC	
Nc1c(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cnn1-c1ccccc1	1033647	CFRJVUZGMUSBHO-VXLYETTFSA-N	350.338	2.127	50	30	FEGC	
Cc1nn(-c2ccccc2)nc1C(=O)NNC(=O)c1ccc(Cl)cc1	1044533	CZOPVGSRZFOLMK-UHFFFAOYSA-N	355.785	2.304	50	30	FEGC	
CC(=O)OO[C@]1(OC(C)=O)C[C@@]2(C)[C@]3(CO3)[C@@H]1O[C@@H]1C=C(C)CC[C@@]12C	113494405	SBKBWGCHOCQTDP-BPCAWRKVSA-N	366.410	2.433	50	30	FEGC	
O=C(CCn1c(=O)oc2ccccc21)NNC(=O)c1ccc(Cl)cc1	1047658	YNWGJOGHJTWZGF-UHFFFAOYSA-N	359.769	2.099	50	30	FEGC	
O=C(NN=Cc1cnc(S(=O)(=O)c2ccccc2)s1)c1ccco1	254854407	OCNUARRHCPFKMK-UHFFFAOYSA-N	361.404	2.333	50	30	FEGC	
N#C/C(=C\N1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccccn1	20443678	VFBLFXWFCBDZEX-FBMGVBCBSA-N	368.462	2.038	50	30	FEGC	
O=C(NNC(=O)c1ccc2nonc2c1)c1cccc(C(F)(F)F)c1	1040103	VKPUKPCJDQBYQI-UHFFFAOYSA-N	350.256	2.316	50	30	FEGC	
Cc1cccc(-n2cnc(C(=O)NN=Cc3ccc([N+](=O)[O-])cc3)c2)n1	8855326	HCBXHKGPDQMSCM-UHFFFAOYSA-N	350.338	2.248	50	30	FEGC	
CCOC(=O)/C(C#N)=C/Nc1nc(-c2cc(C#N)c(=O)[nH]c2C)cs1	4300715	VFJAFWQKIJANSV-YRNVUSSQSA-N	355.379	2.061	50	30	FEGC	
CNC(=S)NNC(=O)c1cc(C(C)(C)C)nn1Cc1ccc(F)cc1	13656718	FDZODABUMAKJNW-UHFFFAOYSA-N	363.462	2.107	50	30	FEGC	
CN1c2ccsc2C(=NNC(=O)c2ccc(Cl)cc2)CS1(=O)=O	2265276300	PFYKUYCWPHQCAF-UHFFFAOYSA-N	369.855	2.315	50	30	FEGC	
Cc1cccc(-c2noc(C(=O)NNC(=O)C(Cl)(Cl)Cl)n2)c1	1047247	DCHNOYBTWGJUIC-UHFFFAOYSA-N	363.588	2.176	50	30	FEGC	
COc1cc(C=NNC(=O)c2cn(-c3cccc(C)n3)cn2)ccc1O	254394672	JMASKBYZKHSYNU-UHFFFAOYSA-N	351.366	2.054	50	30	FEGC	
COc1ccc(CC(=O)NNC(=S)Nc2cccc(F)c2)cc1OC	1045984	YLNHDHWHQRHMHH-UHFFFAOYSA-N	363.414	2.403	50	30	FEGC	
O=C(NNC(=O)[C@H]1CC=CC[C@@H]1C(=O)O)c1ccc(Cl)cc1Cl	33898068	ZXWJKONGKCQTQP-UWVGGRQHSA-N	357.193	2.421	50	30	FEGC	
CCOC(=O)c1cc(-c2nc(C(=O)NN)cs2)c(C)nc1C(F)(F)F	1023689	QYBKNQZMDZYHNB-UHFFFAOYSA-N	374.344	2.313	50	30	FEGC	
COc1cccc(CC(=O)NNC(=O)NC(=O)c2ccccc2Cl)c1	3078841	NLMNVNFHXHKWRG-UHFFFAOYSA-N	361.785	2.062	50	30	FEGC	
CN(C)CC#Cc1cncc(C(=O)NNC(=O)Nc2ccc(Cl)cc2)c1	20443515	MEWVVIZUVHOHFL-UHFFFAOYSA-N	371.828	2.115	50	30	FEGC	
CCOC(=O)c1cnc(NNC(=O)c2cccs2)nc1C(F)(F)F	1027371	VNOOUMQOXTZJAU-UHFFFAOYSA-N	360.317	2.491	50	30	FEGC	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)OCCC[N+](C)(C)CCO)cc1	38646373	JROFYIAHIIPUQN-KNTRCKAVSA-N	374.505	2.442	50	30	FEGC	
CCOC(=O)c1cnc(C(F)(F)F)nc1NNC(=O)c1ccccc1	1031655	PJQPPIDQRLCRLV-UHFFFAOYSA-N	354.288	2.429	50	30	FEGC	
Cc1csc2c(SCC(=O)NNC(=O)C(Cl)Cl)ncnc12	2142553	CFYMHXVQRBMNCC-UHFFFAOYSA-N	365.267	2.043	50	30	FEGC	
CCCC/C(=C/B(OC(C)(C)C(C)(C)O)OC(C)(C)C(C)(C)O)B(O)O	217899130	UVGKMRAZTWTHCU-YPKPFQOOSA-N	372.120	2.275	50	30	FEGC	
CC(C)(C)OC(=O)N1CC[C@@]12C[C@H](CI)OC2=O	1535645673	RBLDVZNEFUMOSQ-PELKAZGASA-N	367.183	2.117	50	30	FEGC	
O=C(NNC(=O)[C@@H]1CC=CC[C@H]1C(=O)O)c1ccc(Cl)cc1Cl	33898069	ZXWJKONGKCQTQP-NXEZZACHSA-N	357.193	2.421	50	30	FEGC	
CC(C)(C)OC(=O)N1CC2(CCO[C@H]2CI)C1	757216575	GYGNBHZKLFYEBE-VIFPVBQESA-N	353.200	2.447	50	30	FEGC	
O=C1c2cc(Br)ccc2S(=O)(=O)C[C@H]1Br	690792582	VCTORWBORJAJTP-SSDOTTSWSA-N	354.019	2.183	50	30	FEGC	
COc1ccc(Br)c(C(=O)NNC(=O)c2ccccc2N)c1	1044588	SBIFZEYHZBXCGF-UHFFFAOYSA-N	364.199	2.115	50	30	FEGC	
CC(C)(O)C(C)(C)OB(CCCCCB(O)O)OC(C)(C)C(C)(C)O	238791427	HYYWNQROSCLCCP-UHFFFAOYSA-N	360.109	2.250	50	30	FEGC	
CSc1nc(C)nc(N/C=C(\C#N)S(=O)(=O)c2ccc(C)cc2)n1	1037390	XDDFUIFPVBTPJU-UKTHLTGXSA-N	361.452	2.461	50	30	FEGC	
COC(=O)[C@@H]1CC[C@H](Br)[C@@H](OC)N1C(=O)OC(C)(C)C	958719657	UEDNEXWOGPLBKP-LPEHRKFASA-N	352.225	2.295	50	30	FEGC	
COc1cc(C(=O)NN=C2CC(=O)c3ccccc32)cc(OC)c1OC	1082839304	JSUWFNKRJPQBJI-UHFFFAOYSA-N	354.362	2.433	50	30	FEGC	
O=C(CS(=O)(=O)c1ccc(C(F)(F)F)cn1)N/N=C/c1ccccc1	1024967	QBWGBGXMBPHFIP-DNTJNYDQSA-N	371.340	2.024	50	30	FEGC	
CC(C)(C)OC(=O)CN(CCBr)CC(=O)OC(C)(C)C	22056960	WCEPRISXWGVUQB-UHFFFAOYSA-N	352.269	2.367	50	30	FEGC	in-vitro
O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)N/N=C/c1ccccc1	1033755	PSUBEUPOMONYKU-UFFVCSGVSA-N	366.446	2.487	50	30	FEGC	
O=C(C[C@H]1Sc2ccccc2NC1=O)NNC(=O)Nc1ccccc1	1038049	IJALIXYJGIIHJR-CQSZACIVSA-N	356.407	2.342	50	30	FEGC	
CC(C)(C)OC(=O)N1CC[C@]12C[C@H](CI)OC2=O	1535645674	RBLDVZNEFUMOSQ-PRHODGIISA-N	367.183	2.117	50	30	FEGC	
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1C1=NCCCN1	3157689	RAUHRBHRYKKFBX-CIAFOILYSA-N	351.366	2.099	50	30	FEGC	
CC(C)(C)[Si](C)(C)O[C@H]1C[C@H]2O[C@@H]1C(=O)c1nc3c(N)ncnc3n12	299803284	GKNMSUDFQNVXTH-SBMIAAHKSA-N	361.478	2.283	50	30	FEGC	
O=C(NNC(=O)c1ccccc1C1=NCCCN1)c1ccc(Cl)cc1	1024837	VGYHFOAMFCQNQT-UHFFFAOYSA-N	356.813	2.155	50	30	FEGC	
O=C1c2cc(Br)ccc2S(=O)(=O)C[C@@H]1Br	690792586	VCTORWBORJAJTP-ZETCQYMHSA-N	354.019	2.183	50	30	FEGC	
COC(=O)c1cnc(NNC(=O)c2ccc(F)cc2)nc1C(F)(F)F	1026574	SPVGMHRVHZNWIN-UHFFFAOYSA-N	358.251	2.178	50	30	FEGC	
Cc1nn(C)c(C(=O)NNC(=O)c2cc(Cl)cc(Cl)c2)c1[N+](=O)[O-]	1047393	QKMYFSWTJBUXKS-UHFFFAOYSA-N	372.168	2.018	50	30	FEGC	
CN(C)c1ccsc1C(=O)NNS(=O)(=O)c1ccc(Cl)cc1	1026251	SBBYRAZVOQQNPJ-UHFFFAOYSA-N	359.860	2.091	50	30	FEGC	
CNC(=S)NNC(=O)c1oc2nc(-c3ccccc3)cc(C)c2c1N	13658288	SYWGQAVVLFBRQK-UHFFFAOYSA-N	355.423	2.124	50	30	FEGC	
C/C=C(\C)C(=O)NC(=S)NNC(=O)c1c(-c2ccccc2)noc1C	3128768	BALPBYMUTMMRRS-ONNFQVAWSA-N	358.423	2.252	50	30	FEGC	
C=CCO[C@@H]1O[C@@H](C)[C@H](O)[C@@H](OCc2ccccc2)[C@H]1OC(=O)CCl	44166921	WDNLGWSGAATPDS-KMJFJPQNSA-N	370.829	2.031	50	30	FEGC	
C[C@@H]1COCCN1c1cc(CI)nc(Cl)n1	139607585	XCOOZBOFPOZBFU-SSDOTTSWSA-N	353.591	2.290	50	30	FEGC	
CC(C)(C)OC(=O)n1c(B(O)O)cc2cc(CN3CCCCC3)ccc21	201300739	QTYQDVDTPBUKTP-UHFFFAOYSA-N	358.247	2.090	50	30	FEGC	
CCOCCO[Si](CCCS)(OCCOCC)OCCOCC	195766222	OMMHJLCBYPEZEV-UHFFFAOYSA-N	370.584	2.405	50	30	FEGC	
O=C(NNC(=O)C(F)(F)F)c1cnn(-c2ccccc2)c1C(F)(F)F	1027016	AIPXJAYUIVBHRR-UHFFFAOYSA-N	366.221	2.214	50	30	FEGC	
O=C(NNC(=O)c1ccc2ncccc2c1)c1cncc(Br)c1	1040215	XJPXRZVPLHRPDI-UHFFFAOYSA-N	371.194	2.467	50	30	FEGC	
N#C/C(=C\N1CCN(c2ccccc2)CC1)S(=O)(=O)c1ccccn1	1039963	AIROITBLLQWHNV-BMRADRMJSA-N	354.435	2.042	50	30	FEGC	
O=C(CCn1c(=O)oc2ccccc21)NNC(=O)c1cccc(Cl)c1	1047657	YXSOBHQVFNBLSL-UHFFFAOYSA-N	359.769	2.099	50	30	FEGC	
Cc1onc(-c2ccccc2)c1C(=O)NNc1ccc(S(N)(=O)=O)cc1	1032552	KTGARQNXUZFOJZ-UHFFFAOYSA-N	372.406	2.054	50	30	FEGC	
Nc1c(C(=O)NNC(=S)Nc2ccccc2)cnn1-c1ccccc1	1033641	ZLRDHZUOHGCUSA-UHFFFAOYSA-N	352.423	2.086	50	30	FEGC	
C[C@H]1CN(c2ncc(C=NNC(=O)c3ccccc3O)s2)C[C@@H](C)O1	254408651	XFRQGTAEGQNQDK-TXEJJXNPSA-N	360.439	2.226	50	30	FEGC	
CC(C)(C)OC(=O)N1CC2(CO[C@@H](CI)C2)C1	334163847	NDYHHOYSJDFRIZ-SECBINFHSA-N	353.200	2.447	50	30	FEGC	
CC(C)(O)C(C)(C)OB(O)c1ccc(OCCCBr)cc1	200329506	FILUQBFLTDJORC-UHFFFAOYSA-N	359.069	2.104	50	30	FEGC	
CCOC(=O)C(=NNC(=O)OC(C)(C)C)C(=O)COCc1ccccc1	396154398	DQQSTIJWYUTCMK-UHFFFAOYSA-N	364.398	2.216	50	30	FEGC	
Cc1nnsc1C(=O)NNC(=O)c1sc(-c2ccccc2)nc1C	3118953	GMEJLWHYHIFMFH-UHFFFAOYSA-N	359.436	2.353	50	30	FEGC	
CC(C)(C)OC(=O)N1CC[C@@]12C[C@@H](CI)OC2=O	1535645676	RBLDVZNEFUMOSQ-UFBFGSQYSA-N	367.183	2.117	50	30	FEGC	
CC(C)(C)OC(=O)N1CC[C@]12C[C@@H](CI)OC2=O	1535645675	RBLDVZNEFUMOSQ-QPUJVOFHSA-N	367.183	2.117	50	30	FEGC	
COc1ccc(CC(=O)NNC(=S)Nc2ccc(F)cc2)cc1OC	1045981	DXQZLQMMPBRWJL-UHFFFAOYSA-N	363.414	2.403	50	30	FEGC	
COc1ccc(SCCC(=O)NNS(=O)(=O)c2cccs2)cc1	4325210	XOMLVXBOTZWSOC-UHFFFAOYSA-N	372.493	2.249	50	30	FEGC	
O=C(CSCCS(=O)(=O)c1ccccc1)N/N=C/c1ccsc1	2150323	OKYVDWCBMFIZFX-MHWRWJLKSA-N	368.505	2.405	50	30	FEGC	
O=C(CN1C(=O)CSc2ccccc21)N/N=C\c1ccc2c(c1)OCO2	33384320	LEIATXCKNRFPHG-UWVJOHFNSA-N	369.402	2.004	50	30	FEGC