smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CN(CCl)CCO[C@@H](c1ccccc1)c1ccc(Br)cc1	140651690	PCHAKXPKGKDBNP-KRWDZBQOSA-N	368.702	4.683	50	30	FJGC	
Cc1c(/C=N/NC(=O)NCc2ccc(Cl)cc2)sc2ccccc12	1040835	ABWZWFHLISKYLS-SRZZPIQSSA-N	357.866	4.696	50	30	FJGC	
CCc1ccccc1NNC(=O)c1c(-c2c(F)cccc2Cl)noc1C	1032661	PGAHRDKEGBZGTH-UHFFFAOYSA-N	373.815	4.762	50	30	FJGC	
Cc1oc(-c2ccccc2)cc1C(=O)/C(C#N)=C\c1ccc([N+](=O)[O-])cc1	13469280	MDSLJBLFVOXSIB-BOPFTXTBSA-N	358.353	4.953	50	30	FJGC	
Br[C@@H](c1ccccc1)c1ccccc1I	71095515	CTZIYGUIIDRGOI-ZDUSSCGKSA-N	373.031	4.776	50	30	FJGC	
Cc1oc(-c2ccccc2)cc1C(=O)/C(C#N)=C\c1ccccc1[N+](=O)[O-]	13469284	LCFBPGZJIOOEDB-BOPFTXTBSA-N	358.353	4.953	50	30	FJGC	
N#C/C(=C\c1c(Cl)cccc1Cl)C(=O)Nc1ccc(F)cc1F	1040802	DMACFGBJUWHXPO-RMKNXTFCSA-N	353.155	4.817	50	30	FJGC	
CCC[C@@H]1CO[C@@](CBr)(c2ccc(Cl)cc2Cl)O1	5839750	PJVTZAKVRVBCMJ-ZWNOBZJWSA-N	354.071	4.757	50	30	FJGC	in-vitro
Cc1ccc([C@H]2C(C#N)=C(N=CN(C)C)Oc3c2ccc2ccccc32)cc1	254440476	JFTRPWYXXSBSFF-JOCHJYFZSA-N	367.452	4.998	50	30	FJGC	
N#C/C(=C\c1c(F)cccc1Cl)C(=O)Nc1ccc(F)c(Cl)c1	1040810	YAQLPIQNOZNUPJ-RMKNXTFCSA-N	353.155	4.817	50	30	FJGC	
O=C(CN1c2ccccc2Sc2ccccc21)N/N=C/c1cccs1	1033678	JXPJJKKIFSXDSK-UDWIEESQSA-N	365.483	4.501	50	30	FJGC	
Cc1ccc(NNC(=O)c2c(-c3c(F)cccc3Cl)noc2C)cc1C	1032884	GFKBYOLUAJFWCI-UHFFFAOYSA-N	373.815	4.816	50	30	FJGC	
Cc1onc(-c2ccccc2)c1C(=O)NNc1c(Cl)cccc1Cl	1033292	HWNZJANHVPFXAL-UHFFFAOYSA-N	362.216	4.714	50	30	FJGC	
Cc1cc(C)cc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)c1	103206411	CBYCDXZUTFNZAE-UHFFFAOYSA-N	352.478	4.506	50	30	FJGC	
O=C(NNc1cc(Cl)ccc1Cl)c1sccc1Br	1030872	YEQNEBPYEOVVLI-UHFFFAOYSA-N	366.067	4.574	50	30	FJGC	
CCCCN(CCc1ccccc1)c1ccc(C(C#N)=C(C#N)C#N)cc1	147820177	TVMZZRBABRWPFV-UHFFFAOYSA-N	354.457	4.860	50	30	FJGC	
CC1=C(C#N)[C@H](c2ccc(C#Cc3ccccc3)s2)C2=C(CCCC2=O)N1	19924837	GNHGKVDXKRCHAF-JOCHJYFZSA-N	370.477	4.639	50	30	FJGC	
CCOC(=O)/C(C#N)=C1\C=C(/C=C2\Sc3ccccc3N2CC)CCC1	39440182	KXGCKPUNMSDUSM-FVCYYYLCSA-N	366.486	4.954	50	30	FJGC	
COc1ccc(C(=O)/C(C#N)=C/c2cc(C#Cc3ccccc3)cs2)cc1	4362723	SPZBQAKWMJYXIG-XSFVSMFZSA-N	369.445	4.946	50	30	FJGC	
N#C/C(=C\Nc1ccc(Cl)cc1)C(=O)c1ccc(OC(F)(F)F)cc1	1038400	PIRZTFUSMNJYAY-ZRDIBKRKSA-N	366.726	4.941	50	30	FJGC	
O=C(Nc1ccc(OCc2ccccc2)cc1)Oc1ccc([N+](=O)[O-])cc1	1724001	QBWSFSCKAULDFB-UHFFFAOYSA-N	364.357	4.785	50	30	FJGC	
O=C(NNc1c(Cl)cncc1Cl)C(c1ccccc1)c1ccccc1	1042710	JZXHJKXJBWGLML-UHFFFAOYSA-N	372.255	4.664	50	30	FJGC	
Nc1ccc2c(c1)N(c1ccccc1)c1cc(N)cc(C(=O)Cl)c1N2	1565503610	LSHWLHGSULSXJW-UHFFFAOYSA-N	350.809	4.757	50	30	FJGC	
COP(=O)(CC(=O)[C@H]1CC[C@H](O[Si](C)(C)C(C)(C)C)CC1)OC	1857792229	SOOTZZALRBFCMF-HDJSIYSDSA-N	364.495	4.622	50	30	FJGC	
CSc1sc(C(=O)/C(C#N)=C/Nc2ccccn2)c2c1C=CCC2	1038555	PEIDDPXJZQMWAW-VAWYXSNFSA-N	353.472	4.527	50	30	FJGC	
CCC[C@@H]1CO[C@](CBr)(c2ccc(Cl)cc2Cl)O1	5839761	PJVTZAKVRVBCMJ-MFKMUULPSA-N	354.071	4.757	50	30	FJGC	in-vitro
N#C/C(=C\Nc1ccccc1Cl)S(=O)(=O)c1ccc2ccccc2c1	1037468	VKMWJLJTYZIBRV-GHRIWEEISA-N	368.845	4.744	50	30	FJGC	
CCC[C@H]1CO[C@](CBr)(c2ccc(Cl)cc2Cl)O1	5843090	PJVTZAKVRVBCMJ-GWCFXTLKSA-N	354.071	4.757	50	30	FJGC	in-vitro
CCCCC[C@H](CC)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OC(=O)OC	3636138	JZFVBPQFLJCYIK-NSHDSACASA-N	354.359	4.722	50	30	FJGC	
ClP(Cl)c1ccccc1P(c1ccccc1)c1ccccc1	110040788	DRFRAADXHJYQNA-UHFFFAOYSA-N	363.164	4.860	50	30	FJGC	
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NNc1ccccc1	1042468	OZBUYKTYZIXKJQ-UHFFFAOYSA-N	362.216	4.714	50	30	FJGC	
Cc1ccsc1C=NNC(=O)c1sccc1OCc1ccc(F)cc1	263629739	GKDXBLLDCMXAKD-UHFFFAOYSA-N	374.462	4.600	50	30	FJGC	
Cc1onc(-c2ccccc2)c1C(=O)NNc1cc(Cl)ccc1Cl	1030867	JQQOTOUXSYPIRG-UHFFFAOYSA-N	362.216	4.714	50	30	FJGC	
CCN(CCOC(=O)Nc1ccccc1)c1ccc(C=C(C#N)C#N)c(C)c1	5316538	KVQZMLBWGHLHTR-UHFFFAOYSA-N	374.444	4.501	50	30	FJGC	
CS/C(Nc1cc(Cl)ccc1Cl)=C(/C#N)C(=O)c1ccco1	3126503	AYHXAVDCHIHYLB-GDNBJRDFSA-N	353.230	4.979	50	30	FJGC	
CC(C)(C)[Si](OCCCCCCC=O)(c1ccccc1)c1ccccc1	195820758	QOWJHQXRFIGPJY-UHFFFAOYSA-N	368.593	4.712	50	30	FJGC	
CC1=C(C#N)[C@@H](c2ccc(C#Cc3ccccc3)s2)C2=C(CCCC2=O)N1	1030934	GNHGKVDXKRCHAF-QFIPXVFZSA-N	370.477	4.639	50	30	FJGC	
CC(C)(C)c1ccc(NC(=O)c2ccco2)c(NC(=O)C(Cl)Cl)c1	1042753	JNBXYMNJKBMYCX-UHFFFAOYSA-N	369.248	4.572	50	30	FJGC	
CC1=C(C#N)[C@H](c2ccc(-c3cccs3)s2)C2=C(CCCC2=O)N1	1030928	GCCGBIKVELHWPR-GOSISDBHSA-N	352.484	4.968	50	30	FJGC	
O[C@H](CBr)c1ccc(-c2ccc(Br)cc2)cc1	12506228	PLTGAIHLMULDMP-CQSZACIVSA-N	356.057	4.544	50	30	FJGC	in-vitro
CN(CCl)CCO[C@H](c1ccccc1)c1ccc(Br)cc1	140651860	PCHAKXPKGKDBNP-QGZVFWFLSA-N	368.702	4.683	50	30	FJGC	
Cc1c(CC(=O)Oc2ccc([N+](=O)[O-])cc2)sc2ccc(Cl)cc12	1040533	GSWROUFBJXEUPZ-UHFFFAOYSA-N	361.806	4.919	50	30	FJGC	
O=C(NN=Cc1ccc(Cl)cc1)c1cc2c(s1)-c1ccccc1CC2	13144934	DMVZMSOAKWAAIL-UHFFFAOYSA-N	366.873	4.931	50	30	FJGC	
CC1=C(C#N)[C@@H](c2ccc(C(F)(F)F)cc2Cl)C2=C(CCCC2=O)N1	1030910	KQFOYZJHMRMMAC-MRXNPFEDSA-N	366.770	4.850	50	30	FJGC	
N#C/C(=C\c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(F)c(F)c1F	2153869	BHZXAEPACBLYOS-WEVVVXLNSA-N	371.145	4.956	50	30	FJGC	
Cc1onc(-c2ccccc2)c1C(=O)N/N=C/c1ccc2ccccc2c1	1048183	NUUXWCSSUMYADS-OEAKJJBVSA-N	355.397	4.567	50	30	FJGC	
CC/C(C)=N/O[Si](O/N=C(\C)CC)(O/N=C(\C)CC)O/N=C(\C)CC	195768825	INETXKGLHYNTHK-AQWWNALJSA-N	372.542	4.632	50	30	FJGC	
Cc1csc2sc(/C=C(\C#N)S(=O)(=O)c3cccs3)c(C)c12	2151149	GSYVBYHBHMIHME-IZZDOVSWSA-N	365.526	4.980	50	30	FJGC	
N#CC(C#N)=CNc1cc(C(F)(F)F)ccc1N1CCc2ccccc2C1	1033121	PCARRAUFGWGUEZ-UHFFFAOYSA-N	368.362	4.611	50	30	FJGC	
CN(C)C=NC1=C(C#N)[C@H](c2cccs2)c2ccc3ccccc3c2O1	254702060	OPJLBCKONXTIPI-LJQANCHMSA-N	359.454	4.751	50	30	FJGC	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1c(F)cccc1F	2161501	LKIWYGQQOVJGOQ-UHFFFAOYSA-N	351.567	4.682	50	30	FJGC	
Br[C@H](c1ccccc1)c1ccccc1I	71095519	CTZIYGUIIDRGOI-CYBMUJFWSA-N	373.031	4.776	50	30	FJGC	
S=Cc1c(SSc2cc3n(c2C=S)CC=C3)cc2n1CC=C2	604933941	CRJNIRWHKOYXME-UHFFFAOYSA-N	360.554	4.838	50	30	FJGC	
Br[C@H](c1ccccc1)c1cccc(I)c1	71095662	HMECBWGZAJVMMS-CYBMUJFWSA-N	373.031	4.776	50	30	FJGC	
O=C(Oc1ccc(CBr)cc1Br)c1ccccc1	95935102	OMUFCLIDZYAKEF-UHFFFAOYSA-N	370.040	4.563	50	30	FJGC	
CCCCC#Cc1ccc(C(=O)N/N=C/c2ccc(C(F)(F)F)cc2)o1	4364174	ZKRQXSXBINQMGZ-YDZHTSKRSA-N	362.351	4.604	50	30	FJGC	
N#C/C(=C\Nc1ccc(Cl)cc1)C(=O)c1ccccc1OC(F)(F)F	1038393	HKTNFHGVJYYUEX-ZHACJKMWSA-N	366.726	4.941	50	30	FJGC	
CCOC(=O)/C(C#N)=C/N1CCC(C(c2ccccc2)c2ccccc2)CC1	4300593	UHPKHSTXZKCWOV-RELWKKBWSA-N	374.484	4.501	50	30	FJGC	
Cc1ccc([C@@H]2C(C#N)=C(N=CN(C)C)Oc3c2ccc2ccccc32)cc1	254440478	JFTRPWYXXSBSFF-QFIPXVFZSA-N	367.452	4.998	50	30	FJGC	
Cc1nc(-c2ccccc2)sc1C(=O)N/N=C/c1cc2ccccc2o1	1043596	AJNUHPUAUNPRAI-CIAFOILYSA-N	361.426	4.629	50	30	FJGC	
CC1=CC(=O)C=C(C)C1=Nc1ccc(N(CCCl)CCCl)cc1	223584993	SACOZHLTPHCYTJ-UHFFFAOYSA-N	351.277	4.518	50	30	FJGC	
CC1=C(C#N)[C@@H](c2ccc(-c3cccs3)s2)C2=C(CCCC2=O)N1	1030926	GCCGBIKVELHWPR-SFHVURJKSA-N	352.484	4.968	50	30	FJGC	
C[Si](C)(C)ON(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	195758602	LMLBEVJWYBBWJM-UHFFFAOYSA-N	364.787	4.982	50	30	FJGC	
Br[C@@H](c1ccccc1)c1cccc(I)c1	71095659	HMECBWGZAJVMMS-ZDUSSCGKSA-N	373.031	4.776	50	30	FJGC	
CN(C)C(C=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)=C(C#N)C#N	2265278919	YAOXSPHTECUZDP-UHFFFAOYSA-N	374.288	4.513	50	30	FJGC	
COc1ccc(C(=O)/C(C#N)=C/c2ccc(C#Cc3ccccc3)s2)cc1	4362918	FZXWENZMHRWGSK-XDJHFCHBSA-N	369.445	4.946	50	30	FJGC	
O=C(NN=Cc1ccc(Cl)cc1Cl)c1sccc1-n1cccc1	254844504	BTPVJABAPNMTRA-UHFFFAOYSA-N	364.257	4.610	50	30	FJGC	aggregator
O=C(NNc1nc(-c2cc3ccccc3o2)cs1)c1ccc(Cl)cc1	1029594	JMYSCBSAODDRQI-UHFFFAOYSA-N	369.833	4.967	50	30	FJGC	
CCC[C@H]1CO[C@@](CBr)(c2ccc(Cl)cc2Cl)O1	5843080	PJVTZAKVRVBCMJ-GXFFZTMASA-N	354.071	4.757	50	30	FJGC	in-vitro
Cc1onc(-c2ccccc2)c1C(=O)NNc1cc(Cl)cc(Cl)c1	1033377	HJGCRNCBEGSNOZ-UHFFFAOYSA-N	362.216	4.714	50	30	FJGC	
CCCCC[C@@H](CC)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OC(=O)OC	3636136	JZFVBPQFLJCYIK-LLVKDONJSA-N	354.359	4.722	50	30	FJGC	
N#C/C(=C\c1cccs1)c1nn(-c2ccccc2)c(-n2cccc2)c1C#N	4299831	RWWROWXISRTTTI-DTQAZKPQSA-N	367.437	4.660	50	30	FJGC	
Cc1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1	59710916	PQCPZAYVYWOSIA-UHFFFAOYSA-N	353.425	4.614	50	30	FJGC	
CCCCCCCCCCOc1ccc(C=NC(C#N)=C(N)C#N)cc1	2265272055	NKFIQJBPYKCCSQ-UHFFFAOYSA-N	352.482	4.842	50	30	FJGC	
Cc1cc(N(CCBr)CCBr)c2ccccc2c1	5160468	YTSZNIWMCGRFHU-UHFFFAOYSA-N	371.116	4.744	50	30	FJGC	
O[C@@H](CBr)c1ccc(-c2ccc(Br)cc2)cc1	12506230	PLTGAIHLMULDMP-AWEZNQCLSA-N	356.057	4.544	50	30	FJGC	in-vitro
O=C(N/N=C/c1ccc(O)c(Cl)c1)c1sc2ccccc2c1Cl	1043150	JMWVJVNPPCIQFM-UFWORHAWSA-N	365.241	4.678	50	30	FJGC	
Cc1ccc(NNC(=O)c2c(-c3c(F)cccc3Cl)noc2C)c(C)c1	1032856	SKGIWAWFBDVIGD-UHFFFAOYSA-N	373.815	4.816	50	30	FJGC	
CN(C)C=NC1=C(C#N)[C@@H](c2cccs2)c2ccc3ccccc3c2O1	254702059	OPJLBCKONXTIPI-IBGZPJMESA-N	359.454	4.751	50	30	FJGC	
N#C/C(=C\c1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1	1037330	WYDBVFCEJFGPJH-XYOKQWHBSA-N	372.660	4.985	50	30	FJGC	
O=C(NN=Cc1ccc(F)c(F)c1)c1cc2c(s1)-c1ccccc1CC2	13137012	IOHZDORJRGUQQZ-UHFFFAOYSA-N	368.408	4.556	50	30	FJGC	
O=C(NN=Cc1ccc(Cl)cc1Cl)c1ccccc1-n1cccc1	254854021	FWTOQJJSPIKPMP-UHFFFAOYSA-N	358.228	4.548	50	30	FJGC	
Cc1ccc(C=NNC(=O)c2sccc2OCc2ccc(F)cc2)cc1	15986850	XEKIUFWQTGGNHT-UHFFFAOYSA-N	368.433	4.539	50	30	FJGC	
CC1=C(C#N)[C@H](c2ccc(C(F)(F)F)cc2Cl)C2=C(CCCC2=O)N1	1030916	KQFOYZJHMRMMAC-INIZCTEOSA-N	366.770	4.850	50	30	FJGC	
CCOc1ccc(Br)cc1/C=C(\C#N)c1ccc([N+](=O)[O-])cc1	1041597	AGLVKMDQAYZUHB-NTEUORMPSA-N	373.206	4.820	50	30	FJGC	
Cc1cc(C(=O)/C(C#N)=C/Nc2ccc(Cl)cc2)c(C(F)(F)F)o1	1046779	YPXSCQCYPRNAIF-CSKARUKUSA-N	354.715	4.963	50	30	FJGC