smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
Cc1nc(-c2nc(-c3c(C(=O)NNC(=O)c4ccc(Cl)cc4)noc3C)cs2)cs1	3119956	KMQYFMPYCQFSKO-UHFFFAOYSA-N	459.940	4.267	50	30	JIGC	
Cc1sc(-c2ccccc2)nc1CC(=O)NNC(=O)Nc1ccc(OC(F)(F)F)cc1	1043274	IEUGGBGCNLCEKF-UHFFFAOYSA-N	450.442	4.413	50	30	JIGC	
O=C(NNS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1sccc1-n1cccc1	1048971	SHCSOKOAHADNTL-UHFFFAOYSA-N	483.415	4.200	50	30	JIGC	
COc1ccc(CS[C@H]2[C@H](C(=O)NNC(=O)c3ccc(Cl)cc3Cl)C3CCN2CC3)cc1	8648483	GGRNXILILSPOFW-REWPJTCUSA-N	494.444	4.364	50	30	JIGC	
CCOC(=O)N/N=C(\C)[C@@]1(N=[N+]=[N-])[C@H](O)C[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C	267329268	STCBBMFHAJQVTA-KUVSPOCISA-N	459.591	4.452	50	30	JIGC	
Cc1nc2ccccn2c1C(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1	1034611	CKGILOMXQXKTHS-CVKSISIWSA-N	465.473	4.168	50	30	JIGC	
CN(C)CCNc1ccc2cc(C(=O)N3C[C@H](CCl)c4c3cc(O)c3[nH]c(C#N)cc43)[nH]c2c1	575440296	GKRUVIZUMRRUTQ-HNNXBMFYSA-N	476.968	4.183	50	30	JIGC	
CC1=[N+]([O-])N(c2ccccc2)[C@H](C(O)(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)[C@@H]1Cl	204950178	GSVKSTGPIWWLAS-FTJBHMTQSA-N	479.024	4.437	50	30	JIGC	
CCOC(C[C@H](CO[Si](C)(C)C(C)(C)C)Cn1cnc2c(Cl)[nH]c(=N)nc21)OCC	504158183	GJGRUMUJSWELPY-AWEZNQCLSA-N	458.079	4.319	50	30	JIGC	
N#CC(C#N)=C1c2cc([N+](=O)[O-])ccc2-c2c(C(=O)NCc3ccccc3)cc([N+](=O)[O-])cc21	3138255	RKFVBZKCAVRDTL-UHFFFAOYSA-N	451.398	4.262	50	30	JIGC	
COc1cc(C(=O)NNC(=O)Nc2c(-c3c(Cl)cccc3Cl)noc2C)cc(OC)c1OC	1026808	CXLDERKFRFBUNT-UHFFFAOYSA-N	495.319	4.449	50	30	JIGC	
CCCCCCCC(=O)N[C@H](CSSC[C@H](NC(=O)CCCCCCC)C(=O)O)C(=O)O	111487310	IEXQFIQEVJTLIE-HDICACEKSA-N	492.704	4.228	50	30	JIGC	
O=C(N[C@@H](Cc1ccccc1)C(=O)O[C@@H](Br)CBr)OCc1ccccc1	1997897	MKSYZNVUGBAASI-DLBZAZTESA-N	485.172	4.183	50	30	JIGC	
CC1(C)O[C@@H]2C(=O)C(CO[Si](C)(C)C(C)(C)C)=C[C@@H](NC(=O)OCc3ccccc3)[C@@H]2O1	2265351704	IJMAVZOKBAWOCL-HLAWJBBLSA-N	461.631	4.332	50	30	JIGC	
O=C(CCc1ccc(O)cc1)NNC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1	3153683	IPIQIZWMMZDPED-UHFFFAOYSA-N	451.392	4.380	50	30	JIGC	
O=C(NNC(=O)c1csc(-c2cnccc2C(F)(F)F)n1)c1ccc(C(F)(F)F)cc1	1035769	KPFYARMDYPGUOM-UHFFFAOYSA-N	460.359	4.318	50	30	JIGC	
COC(=O)c1sc(NC(=O)c2ccc(Br)s2)c(C(=O)OC)c1CBr	216658979	CWWYYKUDMQIQMG-UHFFFAOYSA-N	497.186	4.293	50	30	JIGC	
O=C(CSC1CN(C(c2ccccc2)c2ccccc2)C1)N/N=C/c1ccc([N+](=O)[O-])cc1	13466510	KYILPOZIOUSGDA-CVKSISIWSA-N	460.559	4.252	50	30	JIGC	
O=C(CSCCCN1CCN(c2cccc(Cl)c2)CC1)N/N=C/c1ccc(Cl)cc1	8648532	ULBHXMFISJZQGM-PCLIKHOPSA-N	465.450	4.389	50	30	JIGC	
CC1=[N+]([O-])N(c2ccccc2)[C@H](C(O)(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)[C@H]1Cl	204950203	GSVKSTGPIWWLAS-UIOOFZCWSA-N	479.024	4.437	50	30	JIGC	
O=C(CSC1CN(C(c2ccccc2)c2ccccc2)C1)NNC(=O)c1ccc(Cl)cc1	52987950	GEJGMTDUKSLMBC-UHFFFAOYSA-N	466.006	4.308	50	30	JIGC	
COc1ccc(CS[C@@H]2[C@@H](C(=O)NNC(=O)c3ccc(Cl)cc3Cl)C3CCN2CC3)cc1	13466399	GGRNXILILSPOFW-NFBKMPQASA-N	494.444	4.364	50	30	JIGC	
Cc1occc1C(=O)/C(C#N)=C/N=[S@](C)(=O)c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1	100216313	RWLXQOBGFUFBBK-GYWJEMOSSA-N	452.448	4.431	50	30	JIGC	
O=C(NNC(=O)c1cc2cc(OC(F)(F)F)ccc2[nH]1)Nc1ccc(OC(F)(F)F)cc1	1040053	YVGUNHYXYUFROW-UHFFFAOYSA-N	462.306	4.432	50	30	JIGC	
CC1(C)O[C@H]2[C@@H](n3ccc4c(Cl)nc(N)nc43)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]2O1	196304045	WXKYMEIKPSQDLH-WBOJAVRRSA-N	455.031	4.106	50	30	JIGC	
CN(C)CCNc1ccc2cc(C(=O)N3C[C@@H](CCl)c4c3cc(O)c3[nH]c(C#N)cc43)[nH]c2c1	575440297	GKRUVIZUMRRUTQ-OAHLLOKOSA-N	476.968	4.183	50	30	JIGC	
COc1cc2cc(C(=O)N3C[C@H](CCl)c4c3cc(O)c3[nH]c(C#N)cc43)[nH]c2c(OC)c1OC	575440511	NASYOBPYHXMVGH-LBPRGKRZSA-N	480.908	4.235	50	30	JIGC	
Cn1c(SCC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)nnc1-c1ccccc1	1033635	MYYGOJXEUWDYRO-WGOQTCKBSA-N	457.559	4.304	50	30	JIGC	
CSCC[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)C(=O)N/N=C\c1c(F)cccc1Cl	8637206	KULMOCUVTKMXMZ-ZESSNMITSA-N	475.895	4.500	50	30	JIGC	
COc1ccc(CS[C@@H]2[C@H](C(=O)NNC(=O)c3ccc(Cl)cc3Cl)C3CCN2CC3)cc1	8648482	GGRNXILILSPOFW-NZQKXSOJSA-N	494.444	4.364	50	30	JIGC	
C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](N)C=O	197213661	RAQZXFWGVLXRMC-BSDSXHPESA-N	467.904	4.024	50	30	JIGC	
CO[C@](C(=O)OC(=O)[C@@](OC)(c1ccccc1)C(F)(F)F)(c1ccccc1)C(F)(F)F	100025203	AATFPUCRBIXXID-ROUUACIJSA-N	450.331	4.265	50	30	JIGC	in-vitro
CC(C)n1c(SCC(=O)NNC(=O)c2c(F)cccc2F)nc2cc(C(F)(F)F)ccc21	1047868	MEMUEHJQNXTLIV-UHFFFAOYSA-N	472.439	4.468	50	30	JIGC	
O=C(NNC(=O)c1sccc1OCc1ncc(C(F)(F)F)cc1Cl)c1ccccc1	3137890	IXZMQNCHEZKOPT-UHFFFAOYSA-N	455.845	4.469	50	30	JIGC	
CO[C@](C(=O)OC(=O)[C@](OC)(c1ccccc1)C(F)(F)F)(c1ccccc1)C(F)(F)F	100025207	AATFPUCRBIXXID-HDICACEKSA-N	450.331	4.265	50	30	JIGC	in-vitro
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](C(=O)C[C@H]3[C@@H]4CC[C@@H](OC(C)=O)[C@@]4(C)CC[C@@H]32)[C@@H]1Br	2265351611	OIBBORQZGKLFPX-SZXXFXAYSA-N	469.416	4.445	50	30	JIGC	
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](C(=O)C[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](OC(C)=O)CC[C@H]32)[C@@H]1Br	2265351609	OIBBORQZGKLFPX-JKZYSGBNSA-N	469.416	4.445	50	30	JIGC	
CCC(=O)O[C@]1(C(=O)CCl)[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C	118930880	BDSYKGHYMJNPAB-CENSZEJFSA-N	484.967	4.051	50	30	JIGC	in-vitro
O=C(CSCc1nc(-c2ccc(Cl)cc2)cs1)NNS(=O)(=O)c1ccc(Cl)cc1	2142341	CFDYBVAIUBGPAE-UHFFFAOYSA-N	488.443	4.360	50	30	JIGC	
Nc1nc(-c2ccccc2)nc2c1=C(c1ccccc1)N=P(c1ccccc1)(c1ccccc1)N=2	8432946	WZTULOMVQNIYSE-UHFFFAOYSA-N	471.504	4.283	50	30	JIGC	
CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2sc3ccccc3c2Cl)cc1	1048050	VPCAINZPTDQYHK-UHFFFAOYSA-N	494.038	4.440	50	30	JIGC	
O=C(Cn1c2ccccc2c2nc3ccccc3nc21)NNC(=S)Nc1ccc(Cl)cc1	20230729	AWHKIPIUIGJVGC-UHFFFAOYSA-N	460.950	4.409	50	30	JIGC	
C[Si](C)(CCCOC[C@@H]1CO1)O[Si](C)(O[Si](C)(C)CCCOC[C@@H]1CO1)c1ccccc1	201281295	GVYJNBPRFDRDPE-FGZHOGPDSA-N	498.841	4.020	50	30	JIGC	
CO[C@@](C(=O)OC(=O)[C@](OC)(c1ccccc1)C(F)(F)F)(c1ccccc1)C(F)(F)F	100025211	AATFPUCRBIXXID-QZTJIDSGSA-N	450.331	4.265	50	30	JIGC	in-vitro
C[Si](C)(CCCOC[C@H]1CO1)O[Si](C)(O[Si](C)(C)CCCOC[C@H]1CO1)c1ccccc1	201281370	GVYJNBPRFDRDPE-VXKWHMMOSA-N	498.841	4.020	50	30	JIGC	
CCOC(=O)N/N=C(\C)[C@@]1(N=[N+]=[N-])[C@H](O)C[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C	267329273	STCBBMFHAJQVTA-OFQRKPJISA-N	459.591	4.452	50	30	JIGC	
COc1cc2cc(C(=O)N3C[C@@H](CCl)c4c3cc(O)c3[nH]c(C#N)cc43)[nH]c2c(OC)c1OC	575440510	NASYOBPYHXMVGH-GFCCVEGCSA-N	480.908	4.235	50	30	JIGC	
COc1cc([N+](=O)[O-])c(OC)cc1SCC(=O)NNC(=S)Nc1ccc(Cl)c(Cl)c1	2161023	NKBQHMLXPBZOQJ-UHFFFAOYSA-N	491.378	4.029	50	30	JIGC	
CCOC(=O)N/N=C(\C)[C@@]1(N=[N+]=[N-])[C@H](O)C[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C	267329277	STCBBMFHAJQVTA-RPZCHCBLSA-N	459.591	4.452	50	30	JIGC	
COc1cc(C(=O)NNC(=S)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(OC)c1OC	1048209	BRUNLJBDWQTCFV-UHFFFAOYSA-N	497.417	4.381	50	30	JIGC	
CCCCCCCC(=O)N[C@@H](CSSC[C@H](NC(=O)CCCCCCC)C(=O)O)C(=O)O	111487308	IEXQFIQEVJTLIE-ROUUACIJSA-N	492.704	4.228	50	30	JIGC	
CC1=[N+]([O-])N(c2ccccc2)[C@@H](C(O)(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)[C@@H]1Cl	204950195	GSVKSTGPIWWLAS-CLJLJLNGSA-N	479.024	4.437	50	30	JIGC	
Cc1c(CC(=O)NNS(=O)(=O)c2ccccc2C(F)(F)F)sc2ccc(Cl)cc12	1040556	HVHLYBIJGQNMPB-UHFFFAOYSA-N	462.902	4.434	50	30	JIGC	
COc1cc(C(=O)NNC(=O)c2cc(Cl)cc(Cl)c2)c(-n2c(C)ccc2C)cc1OC	1027587	UOFAFOCHLQORMH-UHFFFAOYSA-N	462.333	4.493	50	30	JIGC	
CCOC(=O)/C(C#N)=C/Nc1scc2c(C(=O)OCC)nn(-c3ccc(C(C)(C)C)cc3)c(=O)c12	13467831	ZWFUHHBBICGQOZ-FYWRMAATSA-N	494.573	4.304	50	30	JIGC	
CC(C)(C)[Si](C)(C)OCCN(CCO[Si](C)(C)C(C)(C)C)CC(=O)On1c(O)ccc1O	616582170	GXNOYQZYOVIEML-UHFFFAOYSA-N	488.774	4.200	50	30	JIGC	
Cc1cc(C(=O)NNS(=O)(=O)c2ccc(Cl)cc2)nn1-c1c(Cl)cc(Cl)cc1Cl	1047480	PDQNSCYUEZLXRJ-UHFFFAOYSA-N	494.187	4.418	50	30	JIGC	
Cc1occc1C(=O)/C(C#N)=C/N=[S@@](C)(=O)c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1	13466378	RWLXQOBGFUFBBK-GSXVWIKYSA-N	452.448	4.431	50	30	JIGC	
COc1ccc(CS[C@H]2[C@@H](C(=O)NNC(=O)c3ccc(Cl)cc3Cl)C3CCN2CC3)cc1	1039175	GGRNXILILSPOFW-OFNKIYASSA-N	494.444	4.364	50	30	JIGC	
Cc1c(C)c(C)c(CSCC(=O)NNS(=O)(=O)c2cccc(C(F)(F)F)c2)c(C)c1C	8618012	RKMTWQXOHGZQGI-UHFFFAOYSA-N	474.570	4.490	50	30	JIGC	
O=C(NNC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)C1=Cc2cc(Cl)ccc2OC1	1028605	KRWPOTFMKGVSSP-UHFFFAOYSA-N	497.260	4.435	50	30	JIGC	
CCOC(C[C@@H](CO[Si](C)(C)C(C)(C)C)Cn1cnc2c(Cl)[nH]c(=N)nc21)OCC	504158194	GJGRUMUJSWELPY-CQSZACIVSA-N	458.079	4.319	50	30	JIGC	
CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C[C@H]1O[Si](C)(C)C(C)(C)C	195784142	DKEAALKCPSPQCU-JFIYKMOQSA-N	456.732	4.236	50	30	JIGC	in-vitro
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](C(=O)C[C@H]3[C@@H]4CC[C@H](OC(C)=O)[C@@]4(C)CC[C@@H]32)[C@@H]1Br	2265351610	OIBBORQZGKLFPX-LXVUCEQASA-N	469.416	4.445	50	30	JIGC	
COc1ccc(SCCC(=O)NNS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1	12340527	RFDGWELGRGFDBW-UHFFFAOYSA-N	471.025	4.364	50	30	JIGC	
CCO[Si](CCCOC(=O)OCCC[Si](OCC)(OCC)OCC)(OCC)OCC	196487606	FLTFEYJWADLDPM-UHFFFAOYSA-N	470.708	4.017	50	30	JIGC	
O=C(NNS(=O)(=O)c1ccc(Cl)cc1)c1csc(-c2ncc(C(F)(F)F)cc2Cl)n1	1035786	ZXIUSKXMGPHVFB-UHFFFAOYSA-N	497.307	4.154	50	30	JIGC	
COC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C(=O)N/N=C/c1ccc([N+](=O)[O-])s1	3135321	OXHGKPBUHMDNOH-IFRROFPPSA-N	469.262	4.169	50	30	JIGC	
COC(=O)[C@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OC(C)(C)C	198716906	FCLSXPPFQURFIQ-QFIPXVFZSA-N	471.670	4.019	50	30	JIGC	
O=C(NNS(=O)(=O)c1ccccc1)c1sccc1OCc1ncc(C(F)(F)F)cc1Cl	3137884	HXJYSKNPMMFQQI-UHFFFAOYSA-N	491.900	4.018	50	30	JIGC	
CC1=[N+]([O-])N(c2ccccc2)[C@@H](C(O)(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)[C@H]1Cl	204950217	GSVKSTGPIWWLAS-IZZNHLLZSA-N	479.024	4.437	50	30	JIGC	
CN(NC(=O)c1ccc(C(F)(F)F)cc1)c1cnn(-c2ccc(F)c(Cl)c2)c(=O)c1Cl	1046933	IPMDCYJGXGNBHV-UHFFFAOYSA-N	475.229	4.478	50	30	JIGC	
CC(C)(C)OC(=O)N1C(=O)C=C[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C	195859236	MCSURGVHGROPIV-FQEVSTJZSA-N	451.639	4.265	50	30	JIGC	in-vitro
CCOC(=O)N/N=C(\C)[C@@]1(N=[N+]=[N-])[C@H](O)C[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C	267329263	STCBBMFHAJQVTA-GDYFGVMQSA-N	459.591	4.452	50	30	JIGC	
CCn1cc(C(=O)NNC(=S)Nc2ccc(Cl)cc2)c(=O)c2cc(C(F)(F)F)ccc21	1035006	FIBKUZZKWHAJJF-UHFFFAOYSA-N	468.888	4.325	50	30	JIGC	
COc1ccc(/C=N/NC(=O)CSC2CN(C(c3ccccc3)c3ccccc3)C2)cc1OC	59106436	PEPXJVISCOKCQK-LQKURTRISA-N	475.614	4.361	50	30	JIGC	
Cc1ccc(S(=O)(=O)c2ncc(C=NNC(=O)c3ccc(C(F)(F)F)cc3)s2)cc1	254399886	LVOBONRNFLGBIY-UHFFFAOYSA-N	453.467	4.067	50	30	JIGC	
O=C(N[C@@H](Cc1ccccc1)C(=O)O[C@H](Br)CBr)OCc1ccccc1	95859070	MKSYZNVUGBAASI-IRXDYDNUSA-N	485.172	4.183	50	30	JIGC	
C[Si](C)(C)c1cc([PH](=O)c2cc([Si](C)(C)C)cc([Si](C)(C)C)c2)cc([Si](C)(C)C)c1	255004099	NZLPIPCWQUJVCH-UHFFFAOYSA-N	490.925	4.378	50	30	JIGC	
CSCC[C@H](NC(=O)c1ccc(C(F)(F)F)cc1)C(=O)N/N=C\c1c(F)cccc1Cl	8637205	KULMOCUVTKMXMZ-GNEVPJOISA-N	475.895	4.500	50	30	JIGC	
O=C(CCN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)cc1	12367366	RAYUCESYQJJGAD-ZVHZXABRSA-N	480.373	4.318	50	30	JIGC	
CCCc1cc(=O)oc2cc(OCC(=O)NNC(=S)Nc3cc(Cl)ccc3Cl)ccc12	1044926	LPOKHZSQTCLIOY-UHFFFAOYSA-N	480.373	4.449	50	30	JIGC	
O=C(CBr)Nc1cccc(CCN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1	31430243	FIGGNDQRYPEEII-UHFFFAOYSA-N	470.333	4.404	50	30	JIGC	
COc1cc2c(c(OC)c1OCCCl)-c1ccc(SC)c(=O)cc1[C@@H](NC(C)=O)CC2	96327851	XZVBYNXMWIVOFK-KRWDZBQOSA-N	463.983	4.194	50	30	JIGC	
COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)NNC(=O)c2ccc(C(F)(F)F)cc2)cc1	1046865	FFKOESFCOWMBKZ-UHFFFAOYSA-N	475.379	4.489	50	30	JIGC	
O=C(N[C@H](Cc1ccccc1)C(=O)O[C@@H](Br)CBr)OCc1ccccc1	1997882	MKSYZNVUGBAASI-IAGOWNOFSA-N	485.172	4.183	50	30	JIGC	
COc1ccc2c3c1O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@@]4(OC(=O)N(C)[C@@H]4C2)[C@]31CCO	2265351453	AGOKXXQXZDDQTQ-BQKVCSFZSA-N	475.658	4.006	50	30	JIGC	
CC1(C)O[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](n3ccc4c(Cl)nc(N)nc43)[C@@H]2O1	196304072	WXKYMEIKPSQDLH-VMUDFCTBSA-N	455.031	4.106	50	30	JIGC	in-vitro
C/C(=N\NC(=O)/C(=C\C(=O)c1ccccc1)c1nnc(O)c2ccccc12)c1cccc(C)c1	575440572	SLWUPCSHBHDHJZ-HNWARBAXSA-N	450.498	4.451	50	30	JIGC	
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](C(=O)C[C@@H]3[C@@H]2CC[C@]2(C)[C@H](OC(C)=O)CC[C@H]32)[C@@H]1Br	2265351608	OIBBORQZGKLFPX-BJDBKYLQSA-N	469.416	4.445	50	30	JIGC	
Cc1nn(-c2ccccc2)cc1/C=N/NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1	1035359	FGMKUTVCGPEBLK-LQKURTRISA-N	494.584	4.066	50	30	JIGC	
O=C(CSCCCN1CCN(c2cccc(Cl)c2)CC1)NNC(=O)Nc1ccc(Cl)cc1	8648531	CMDAKZVOELDDJJ-UHFFFAOYSA-N	496.464	4.092	50	30	JIGC	
COC(=O)[C@@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OC(C)(C)C	198716932	FCLSXPPFQURFIQ-JOCHJYFZSA-N	471.670	4.019	50	30	JIGC	
O=C(NNS(=O)(=O)c1ccc(Cl)cc1Cl)c1cc2ncc(C(F)(F)F)cc2s1	1031529	DDZQSBRUOHMCLS-UHFFFAOYSA-N	470.281	4.245	50	30	JIGC	
Cc1cc(C(=O)NNC(=O)C(Cl)(Cl)Cl)nn1-c1c(Cl)cc(Cl)cc1Cl	1047232	WGWTVMPVPHUWHM-UHFFFAOYSA-N	464.951	4.272	50	30	JIGC	
O=C(NNC(=O)c1cccs1)c1csc(COc2ccc(C3SCCS3)cc2)n1	2148300	ATWSDMRPLRGQHH-UHFFFAOYSA-N	463.631	4.337	50	30	JIGC	
N#C/C(=C\c1ccc(/C=C(\C#N)S(=O)(=O)c2ccccc2)cc1)S(=O)(=O)c1ccccc1	1037589	JIAWLSPZTAQNHI-DFEHQXHXSA-N	460.536	4.363	50	30	JIGC	
Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2[C@@H]1CCCN(C(=O)CCl)C1	96167587	BCYQQNGYLQGVGY-QGZVFWFLSA-N	462.941	4.270	50	30	JIGC	
COc1ccc(C=O)c2c1O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CCC(=O)[C@]21CCOC(C)=O	2265351676	GUIVOWAPWZLNSU-KUWBRRTOSA-N	462.615	4.213	50	30	JIGC	
COC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C(=O)NNC(=S)Nc1ccccc1	1042787	QCDMCABARWNTGG-UHFFFAOYSA-N	465.318	4.066	50	30	JIGC	
C/C(CC(=O)NC12CC3CC(CC(C3)C1)C2)=N\NC(=O)COc1ccc(Br)cc1C	8402916	BPYRMCLCDLHLBU-CVKSISIWSA-N	476.415	4.104	50	30	JIGC	
CC(C)(C)NC(=O)NNC(=O)c1sccc1OCc1ncc(C(F)(F)F)cc1Cl	3137883	QUAJRDQQVHDDNH-UHFFFAOYSA-N	450.870	4.137	50	30	JIGC	
O=C(N[C@H](Cc1ccccc1)C(=O)O[C@H](Br)CBr)OCc1ccccc1	1997881	MKSYZNVUGBAASI-SJORKVTESA-N	485.172	4.183	50	30	JIGC	
CN(NC(=O)NC(=O)c1c(Cl)cccc1Cl)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	8626575	MYFAINLWJBHUNK-UHFFFAOYSA-N	451.188	4.411	50	30	JIGC