smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
ClCc1cc(I)cc(I)c1	95764070	XPDATYPYCGSBCS-UHFFFAOYSA-N	378.378	3.635	50	30	GHGC	in-vitro
C[C@]1(F)[C@H](Cl)O[C@H](COC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1	142664244	VLPZJFQKABILMS-XNFNUYLZSA-N	392.810	3.761	50	30	GHGC	in-vitro
O=C(CCl)ON=C1C(=O)N(Cc2cccc(C(F)(F)F)c2)c2ccccc21	2265276335	WFQOALNAUNMLBW-UHFFFAOYSA-N	396.752	3.738	50	30	GHGC	
O=C(NN=Cc1cnc(N2CCCCC2)s1)c1ccc(C(F)(F)F)cc1	254550806	SGIKIVKAAUXJSU-UHFFFAOYSA-N	382.411	3.916	50	30	GHGC	
O=C(N/N=C/c1ccccc1)/C(=C/c1cccs1)NC(=O)c1ccccc1	3039228	CHAAPNYQCDWWKO-ZXKVDMDYSA-N	375.453	3.669	50	30	GHGC	
O=C(NNC(=O)c1csc(-c2cccs2)n1)c1ccc(C(F)(F)F)cc1	1047485	VDQNTTFSCGVGSC-UHFFFAOYSA-N	397.403	3.965	50	30	GHGC	
O=C(NNc1cc(Cl)cc(Cl)c1)NS(=O)(=O)c1ccc(Cl)cc1	1042807	XFRUYQGTEFKQFH-UHFFFAOYSA-N	394.667	3.662	50	30	GHGC	
COc1ccc(C(=O)NNc2ncnc3cc(C(C)(C)C)sc23)cc1OC	1027835	YZDUAMVFLNBKKE-UHFFFAOYSA-N	386.477	3.763	50	30	GHGC	
O=C(/C=C/c1ccccc1)NNC(=O)CSCc1cccc2ccccc12	4336217	UGULOVANSNRDTQ-BUHFOSPRSA-N	376.481	3.934	50	30	GHGC	
O=C(NN=C[C@H]1CC=CCC1)c1ccccc1NS(=O)(=O)c1cccs1	254348423	KFDZJXUPKYFAFH-AWEZNQCLSA-N	389.502	3.621	50	30	GHGC	
O=C(CSCc1cccc2ccccc12)NNC(=S)N[C@@H]1C[C@H]2C=C[C@H]1C2	100401525	DFWWLFVNVZXXQH-URLQWDBASA-N	397.569	3.533	50	30	GHGC	
ClC/C(I)=C(\I)CCl	95831533	PZBBWINMCIRSAZ-ONEGZZNKSA-N	376.790	3.546	50	30	GHGC	
CCCS(=O)(=O)C1=C(N)OC(c2ccccc2)=C(C#N)[C@H]1c1ccccc1	1038110	FUYOSMJBLCJGGT-GOSISDBHSA-N	380.469	3.688	50	30	GHGC	
O=C(NNC(=O)c1csc(-c2cccs2)n1)Nc1ccc(Cl)cc1	1047486	ISMFNTAFPCBTIR-UHFFFAOYSA-N	378.866	3.992	50	30	GHGC	
c1ccc([P+](CCCCc2nnn[nH]2)(c2ccccc2)c2ccccc2)cc1	116771174	HHRLAQFSTRDURS-UHFFFAOYSA-N	387.447	3.517	50	30	GHGC	
Cl[C@H]1[C@@]2(Cl)[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@H]5[C@H]3[C@@](Cl)(C2(Cl)Cl)[C@@]1(Cl)[C@H]45	267327439	LOVDWMTZZYUFMA-UDFAXCQZSA-N	380.913	3.617	50	30	GHGC	
Cc1cc(C)c2c(c1)CC(C)(C)/C(=N/NC(=O)CCc1ccc(O)cc1)C2=O	42782914	IMFKRNLOYZHTNQ-YYDJUVGSSA-N	378.472	3.879	50	30	GHGC	
O=C(NN=Cc1cn(Cc2cnc(Cl)s2)c2ccccc12)c1ccncc1	254790056	BAOGKJTUHZNFOZ-UHFFFAOYSA-N	395.875	3.958	50	30	GHGC	
O=C(CN1C(=O)CSc2ccccc21)N/N=C/c1ccc(Cl)cc1Cl	1036451	VAAVCYAGSKLIRF-DNTJNYDQSA-N	394.283	3.582	50	30	GHGC	
CCOC(=O)C1CCN(c2ccc(C(F)(F)F)cc2NC=C(C#N)C#N)CC1	1033123	PQMDRHAWHOIDIU-UHFFFAOYSA-N	392.381	3.828	50	30	GHGC	
Cl[C@H]1[C@@]2(Cl)[C@H]3[C@@H]4[C@@H]5O[C@H]5[C@H]5[C@H]3[C@@](Cl)(C2(Cl)Cl)[C@@]1(Cl)[C@H]45	267327434	LOVDWMTZZYUFMA-NILHAAPOSA-N	380.913	3.617	50	30	GHGC	
C[C@]1(F)[C@@H](Cl)O[C@H](COC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1	114864088	VLPZJFQKABILMS-YAJHFMINSA-N	392.810	3.761	50	30	GHGC	in-vitro
CC(C)(C)OC(=O)N/N=C/Nc1ccc(S(=O)(=O)c2ccc(Cl)cc2)o1	38817015	KLTRGXNLWLORMC-UHFFFAOYSA-N	399.856	3.646	50	30	GHGC	
C#C/C=C\C[C@@H]1O[C@H]2C[C@H]1O[C@@H]2C[C@H](Br)[C@H](Br)CC	140104427	SVJJUIWBRNYBIG-CFYJQXSKSA-N	392.131	3.818	50	30	GHGC	
CN1C2=C(C(=O)OC2=O)N(c2ccc(Cl)cc2)Cc2cc(Cl)ccc21	205010371	JRDCOKPZGHTPAH-UHFFFAOYSA-N	375.211	3.745	50	30	GHGC	
COc1ccccc1NNC(=O)c1cc(C(C)(C)C)nn1Cc1ccccc1	4325174	PCFGRIGJIKDULP-UHFFFAOYSA-N	378.476	3.994	50	30	GHGC	
O=C(CNc1ccccc1)NN=Cc1ccc(OCc2ccc(F)cc2)cc1	254395442	MFAJCVBPQSRYLM-UHFFFAOYSA-N	377.419	3.967	50	30	GHGC	
CCCC(=O)c1cc([N+](=O)[O-])ccc1OCCN(CCCl)CCCl	5819672	ZJKUFYKUEVNBLC-UHFFFAOYSA-N	377.268	3.736	50	30	GHGC	
O=C(NNc1nc(-c2ccc(Br)cc2)cs1)c1ccncc1	1036623	BJXYAXKZYNQGKC-UHFFFAOYSA-N	375.251	3.725	50	30	GHGC	
COc1ccc(/C=N/NC(=O)c2sc(=S)n(-c3ccccc3)c2N)cc1	1033700	BAXOWMDQYOVWPU-RGVLZGJSSA-N	384.486	3.623	50	30	GHGC	
O=C(NNC(=O)c1ccc(Cl)cc1Cl)c1ccc(OC(F)(F)F)cc1	1047788	YJLGJENRFAVPQF-UHFFFAOYSA-N	393.148	3.967	50	30	GHGC	
C[C@]1(CBr)[C@H]2CC[C@]1(CBr)C(=O)[C@H]2Br	2597088	FYVXSJHUBPYLLD-YIKMNZTOSA-N	388.925	3.525	50	30	GHGC	
O=C(/C=C/c1ccc(OC(F)(F)F)cc1)NNC(=O)c1ccc(Cl)cc1	1046632	WBQGBUNUANBXDG-XCVCLJGOSA-N	384.741	3.713	50	30	GHGC	
O=C(NNc1ncccc1-n1cccc1)Nc1ccc(OC(F)(F)F)cc1	1043632	UHJJRPBXMLCORG-UHFFFAOYSA-N	377.326	3.920	50	30	GHGC	
Cc1nc(-c2cccs2)sc1C(=O)NNC(=O)c1ccc(Cl)cc1	1047511	VGHZYTLRPITMRF-UHFFFAOYSA-N	377.878	3.908	50	30	GHGC	
C[C@@]1(CBr)[C@H]2CC[C@]1(CBr)C(=O)[C@H]2Br	100087234	FYVXSJHUBPYLLD-MFDQJXRNSA-N	388.925	3.525	50	30	GHGC	
N#C[C@H](OCCCI)c1ccc(Br)cc1	2265385032	QXMYBZQPMTXWHV-NSHDSACASA-N	380.023	3.855	50	30	GHGC	
Cc1onc(-c2ccccc2Cl)c1NC(=O)NNC(=S)NC(C)(C)C	2161243	SYNJHYAQUABXJX-UHFFFAOYSA-N	381.889	3.603	50	30	GHGC	
CCOC(=O)/C(C#N)=C/N/C(=N\N=C(/C)c1ccc(Cl)c(Cl)c1)SC	4300206	GCGBZLCFGFYJRP-GNHRLDPLSA-N	399.303	3.997	50	30	GHGC	
CO[C@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	197133408	WZJRJUAWWFXXSN-TUVASFSCSA-N	380.706	3.649	50	30	GHGC	
O=C(NNc1ncc(C(F)(F)F)cc1Cl)NC(=O)c1ccccc1Cl	1024297	MAHSABYOVKCDHR-UHFFFAOYSA-N	393.152	3.874	50	30	GHGC	
COc1ccc(C(=O)NNC(=O)CSCc2cccc3ccccc23)cc1	4336190	BUNCDZXKHYDBQK-UHFFFAOYSA-N	380.469	3.543	50	30	GHGC	
O=C(CSCc1cccc2ccccc12)NNC(=S)N[C@H]1C[C@H]2C=C[C@H]1C2	100401528	DFWWLFVNVZXXQH-QOKNQOGYSA-N	397.569	3.533	50	30	GHGC	
Cl[C@H]1[C@@]2(Cl)[C@H]3[C@@H]4[C@H]5O[C@H]5[C@H]5[C@H]3[C@@](Cl)(C2(Cl)Cl)[C@@]1(Cl)[C@H]45	267327428	LOVDWMTZZYUFMA-MCWOYSKOSA-N	380.913	3.617	50	30	GHGC	
CCCc1cc(=O)oc2cc(OCC(=O)N/N=C/c3ccc(Cl)cc3)ccc12	1044929	JMOFBZVOTCKHAU-FSJBWODESA-N	398.846	3.928	50	30	GHGC	
N[C@@H](Cc1ccc(Oc2ccc(N(CCCl)CCCl)cc2)cc1)C(=O)O	4213285	IDJLCKJFVNGXOP-SFHVURJKSA-N	397.302	3.717	50	30	GHGC	
O=C(NNC(=O)c1ccc(Cl)cc1Cl)c1csc(-c2cccnc2)n1	1040848	JRTNIMNKOOIVRM-UHFFFAOYSA-N	393.255	3.587	50	30	GHGC	
O=C(NNC(=O)c1cccs1)c1csc(COc2ccccc2Cl)n1	1047447	CTEFJRHUXYECDA-UHFFFAOYSA-N	393.877	3.512	50	30	GHGC	
CN(C)c1ccc(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)c(F)c1C#N	1039433	NYPIMLJDOWPSJY-OQLLNIDSSA-N	389.839	3.755	50	30	GHGC	
O=C(CSc1ncnc2sc3c(c12)CCCC3)N/N=C/c1cccs1	1035351	SFDPEQZLBHBEFE-DNTJNYDQSA-N	388.543	3.874	50	30	GHGC	
CCCS(=O)(=O)C1=C(N)OC(c2ccccc2)=C(C#N)[C@@H]1c1ccccc1	1038111	FUYOSMJBLCJGGT-SFHVURJKSA-N	380.469	3.688	50	30	GHGC	
O=C(NNC(=S)Nc1ccccc1Cl)c1ccc(OC(F)(F)F)cc1	1047839	NGKPRVHTZKLBEG-UHFFFAOYSA-N	389.786	3.870	50	30	GHGC	
CN(C)c1ccccc1P(c1ccccc1N(C)C)c1ccccc1N(C)C	104849660	QSVXMOKGHFNTEI-UHFFFAOYSA-N	391.499	3.643	50	30	GHGC	
N/C(=N\NC(=O)Nc1cccc(C(F)(F)F)c1)c1ccc(C(F)(F)F)cn1	4394793	RWHVSHNDCPDJSC-UHFFFAOYSA-N	391.275	3.561	50	30	GHGC	
COc1ccc(C(=O)/C(C#N)=C/NC2CCN(Cc3ccccc3)CC2)cc1	1039833	ZUUWRPVQFWNWID-CAPFRKAQSA-N	375.472	3.540	50	30	GHGC	
O=C(Cn1cc(Cl)c(=O)c(Cl)c1)N/N=C/c1c(Cl)cccc1Cl	1042774	LXXDEUSIKKSRPC-RMOCHZDMSA-N	393.057	3.612	50	30	GHGC	
O=C(NNC(=O)c1ccc(C(F)(F)F)cc1)c1ccc(OC(F)(F)F)cc1	1047786	XWDLTNUDMOMZOT-UHFFFAOYSA-N	392.255	3.679	50	30	GHGC	
CSc1sc(C(=O)NNC(=O)c2ccc(Cl)cc2)c2c1[C@@H](O)CCC2	1037809	RTLMZERHIYMULO-LBPRGKRZSA-N	396.921	3.568	50	30	GHGC	
N/C(=N\OC(=O)C(Cl)Cl)c1ccc(OCc2ccc(Cl)cc2)cc1	4382622	ZCZLAWFGBJXPKA-UHFFFAOYSA-N	387.650	3.886	50	30	GHGC	
CCN(CCCCCCN(CC)C(=O)C(Cl)Cl)C(=O)C(Cl)Cl	95862747	IFMHJVAKBSKZFN-UHFFFAOYSA-N	394.170	3.851	50	30	GHGC	
CC(C)(C)OC(=O)N1CCC2(CCC[C@@H](CI)O2)CC1	606301046	OSKSAQBYSYHWQH-LBPRGKRZSA-N	395.281	3.760	50	30	GHGC	
O=C(CCc1ccc(O)cc1)NNC(=S)Nc1ccc(Cl)c(Cl)c1	1026796	WMPRKUUFHMXPIG-UHFFFAOYSA-N	384.288	3.649	50	30	GHGC	
O=C(Cc1csc(-c2cccs2)n1)NNC(=O)c1ccc(Cl)cc1	1047671	IQVAWAMSWNPNNG-UHFFFAOYSA-N	377.878	3.529	50	30	GHGC	
CC(C)(C)c1ccc(C(=O)NNC(=O)c2cncc(C#Cc3ccccc3)c2)cc1	1039813	CWHCFJIQQUGTAB-UHFFFAOYSA-N	397.478	3.854	50	30	GHGC	
CC(C)(C)c1cc(NC(=O)/C(C#N)=C/c2ccc(C#N)cc2)c(C(N)=O)s1	1026348	KNPYOQSZWIUQNC-RIYZIHGNSA-N	378.457	3.562	50	30	GHGC	
O=C(NNC(=O)c1csc(Cc2ccsc2)n1)Nc1ccc(Cl)cc1	1040558	XTPVGKXYKGNTGU-UHFFFAOYSA-N	392.893	3.915	50	30	GHGC	
CC(C)(C)c1cc(C(=O)NNC(=O)Nc2ccccc2)n(Cc2ccccc2)n1	1047711	SZYMOBSAMKARSI-UHFFFAOYSA-N	391.475	3.695	50	30	GHGC	
CSc1sc(C(=O)NNC(=O)c2ccc(Cl)cc2)c2c1[C@H](O)CCC2	1037808	RTLMZERHIYMULO-GFCCVEGCSA-N	396.921	3.568	50	30	GHGC	
O=C(NNC(=O)c1ccccc1Cl)c1cc2cc(OC(F)(F)F)ccc2[nH]1	1040057	OJJKLENSOJWIBV-UHFFFAOYSA-N	397.740	3.795	50	30	GHGC	
BrC[C@@H](Br)C[C@@H](Br)CBr	223677651	DMKHPDBNKIQVSK-SYDPRGILSA-N	387.735	3.693	50	30	GHGC	
C[C@@H]1CCc2c(sc3ncnc(SCC(=O)N/N=C/c4ccco4)c23)C1	1034615	XWJKAEXSYPYOTP-PKIICXIDSA-N	386.502	3.652	50	30	GHGC	
Cc1cc(C(F)(F)F)n(-c2nc(C(=O)NN=Cc3ccc(F)cc3)cs2)n1	8672095	HOWDRTWSAVCJSF-UHFFFAOYSA-N	397.357	3.559	50	30	GHGC	
BrC[C@@H](Br)C[C@H](Br)CBr	223677596	DMKHPDBNKIQVSK-WHFBIAKZSA-N	387.735	3.693	50	30	GHGC	
Cc1cc(C)c2c(c1)CC(C)(C)/C(=N/NC(=O)c1ccc(N(C)C)cc1)C2=O	42782916	FRNNCSSBBXWAIE-DARPEHSRSA-N	377.488	3.920	50	30	GHGC	
CCOC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1	1035397	GHSUIFJVUQNKEN-FOWTUZBSSA-N	388.383	3.918	50	30	GHGC	
Cc1nn(C)c(Sc2ccccc2NC(=O)C(Cl)Cl)c1[N+](=O)[O-]	1026256	AMIDBIGWESLKSA-UHFFFAOYSA-N	375.237	3.530	50	30	GHGC	
CO/N=C1\CCCc2c(C(=O)N/N=C/c3cccs3)sc(SC)c21	1038323	QYPAOMZGLAKZJJ-OHJMVEGPSA-N	379.532	3.982	50	30	GHGC	
COC(=O)c1sc2nccnc2c1N/C=C(\C#N)C(=O)c1ccc(Cl)cc1	2142081	SLKBKYABLJJHNX-PKNBQFBNSA-N	398.831	3.834	50	30	GHGC	
O=C(Cn1cc(Cl)c(=O)c(Cl)c1)N/N=C/c1ccc(Cl)c(Cl)c1	1042772	BGTRBWAGCBVZES-RMOCHZDMSA-N	393.057	3.612	50	30	GHGC	
Cc1nc(C(F)(F)F)ccc1C(=O)NNC(=O)c1ccc(C(F)(F)F)cc1	1023681	ZALXAESFEBJFIR-UHFFFAOYSA-N	391.271	3.502	50	30	GHGC	
CCOC(=O)/C(C#N)=C/N/C(=N/N=C/c1c(Cl)cccc1Cl)SC	12339210	MRTYAXBQCATZIW-RWTIUXBZSA-N	385.276	3.606	50	30	GHGC	
O=C(NNC(=O)c1ccccc1C(F)(F)F)c1ccc(OC(F)(F)F)cc1	1047797	OJXDFJPZLYXWPH-UHFFFAOYSA-N	392.255	3.679	50	30	GHGC	
Cl[C@H]1[C@@]2(Cl)[C@H]3[C@@H]4[C@H]5O[C@@H]5[C@H]5[C@H]3[C@@](Cl)(C2(Cl)Cl)[C@@]1(Cl)[C@H]45	267327423	LOVDWMTZZYUFMA-ISNMWWAZSA-N	380.913	3.617	50	30	GHGC	
C#C/C=C\C[C@@H]1O[C@H]2C[C@H]1O[C@@H]2C[C@H](Br)[C@@H](Br)CC	140104265	SVJJUIWBRNYBIG-ZUPJHLEWSA-N	392.131	3.818	50	30	GHGC	
N#C/C(=C\N1CCC(n2cccc2)CC1)S(=O)(=O)c1ccc(Cl)cc1	1039842	CAQUOEZMKAQQOL-NBVRZTHBSA-N	375.881	3.617	50	30	GHGC	
O=C(NNC(=S)Nc1c(Cl)cc(Cl)cc1Cl)c1cccnc1	1036793	KGAVWKDJUKRGGX-UHFFFAOYSA-N	375.668	3.673	50	30	GHGC	
O=C(N/N=C/c1cccs1)/C(=C/c1cccs1)NC(=O)c1ccccc1	4693550	JSMJMHYHKRLCQP-XYGMCREWSA-N	381.482	3.731	50	30	GHGC	
Cn1nc(C(F)(F)F)c(C=NOC(=O)CCl)c1Sc1ccccc1	254827359	UDESWYDXZBPEIP-UHFFFAOYSA-N	377.775	3.706	50	30	GHGC	
COc1ccc(C(=CC(=O)NNc2ccc(Cl)cc2Cl)C(=O)O)cc1	2265279321	STSPWYHQSNQFNL-UHFFFAOYSA-N	381.215	3.613	50	30	GHGC	
COc1cccc(OC)c1C(=O)NNc1ncc(C(F)(F)F)cc1Cl	1043024	WKRAFQWNQUKJCB-UHFFFAOYSA-N	375.734	3.528	50	30	GHGC	
O=C(NNC(=O)c1cc2cc(OC(F)(F)F)ccc2[nH]1)Nc1ccccc1	1040052	GCTPVJPZKSHEDC-UHFFFAOYSA-N	378.310	3.533	50	30	GHGC	
CC(C)(C)OC(=O)N1CCC2(CCC[C@H](CI)O2)CC1	606301045	OSKSAQBYSYHWQH-GFCCVEGCSA-N	395.281	3.760	50	30	GHGC	
O=C(NNC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc[nH]1	4363919	DGEAWJQWOPPEHX-UHFFFAOYSA-N	396.316	3.684	50	30	GHGC	
Cc1nc(-c2c(C(=O)NNC(=O)Nc3cccc(Cl)c3)noc2C)cs1	1047774	UJFMROIXMJNUSJ-UHFFFAOYSA-N	391.840	3.535	50	30	GHGC	
Cc1nnsc1-c1[nH]nc(C)c1C(=O)N/N=C/c1c(Cl)cccc1Cl	1047482	RYXHGIYKTUTXIG-NGYBGAFCSA-N	395.275	3.616	50	30	GHGC	
CN(C)c1ccc(C(=O)NNC(=S)Nc2cc(Cl)ccc2Cl)cc1	1045598	MPBVWLWQQNMSBB-UHFFFAOYSA-N	383.304	3.691	50	30	GHGC	
CC(C)(C)c1cc2nc(C(F)(F)F)cc(NNC(=O)c3ccccc3)n2n1	1039371	WPZMUSRCGKSPAA-UHFFFAOYSA-N	377.370	3.803	50	30	GHGC	
Cc1ccc(CN2C(=O)C(=NOC(=O)C(Cl)Cl)c3ccccc32)cc1	2265276450	YDXSWOVYHLYVRX-UHFFFAOYSA-N	377.227	3.593	50	30	GHGC	
O=C(NNC(=O)c1cc2cc(OC(F)(F)F)ccc2[nH]1)c1ccc(Cl)cc1	1040051	ZNYJGNPJPCLACA-UHFFFAOYSA-N	397.740	3.795	50	30	GHGC	
Cc1cc(C)c(CSCC(=O)NNC(=O)c2cccc(Cl)c2)c(C)c1	4299638	QSFZEDVLQIUUQF-UHFFFAOYSA-N	376.909	3.960	50	30	GHGC	
N#C[C@@H](OCCCI)c1ccc(Br)cc1	2265385031	QXMYBZQPMTXWHV-LLVKDONJSA-N	380.023	3.855	50	30	GHGC	
CCCCC(C(=O)N/N=C/c1ccc(C)cc1)C(=O)N/N=C/c1ccc(C)cc1	3119343	IALGYIYNGFJRSH-FEZYOMQXSA-N	392.503	3.710	50	30	GHGC	
O=C(CSCc1cccc2ccccc12)NNC(=S)NC1CCCCC1	4336246	GJCHMSDCWFGVKC-UHFFFAOYSA-N	387.574	3.901	50	30	GHGC	
O=C(NNc1ccccc1)c1cnn2c(C(F)(F)F)cc(C(F)(F)F)nc12	1038680	SGWAYVBQXPROBT-UHFFFAOYSA-N	389.259	3.524	50	30	GHGC	
O=C(NN=C[C@@H]1CC=CCC1)c1ccccc1NS(=O)(=O)c1cccs1	254348433	KFDZJXUPKYFAFH-CQSZACIVSA-N	389.502	3.621	50	30	GHGC	
CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)C(=O)OCC[N+](C)(C)C)cc1	33955116	OLJQWNLOIRXBBG-OQKWZONESA-N	392.523	3.869	50	30	GHGC	
O=C(NNC(=O)c1ncc(C(F)(F)F)cc1Cl)Nc1ccc(Cl)cc1	1038823	KZMGEZCYRYAJAY-UHFFFAOYSA-N	393.152	3.874	50	30	GHGC	
O=C(CSCc1nc(-c2ccccc2)cs1)NNC(=O)Nc1ccccc1	2142351	QRALCYKHZJPPAG-UHFFFAOYSA-N	398.513	3.896	50	30	GHGC	
Cc1ccc(NC(=S)NNC(=O)Cc2nc(-c3ccccc3)sc2C)cc1	1043273	RNTLCSCEEXUWBZ-UHFFFAOYSA-N	396.541	3.987	50	30	GHGC	
CN1CC[C@]23c4c5ccc(O[Si](C)(C)C(C)(C)C)c4O[C@@H]2[C@H](O)C=C[C@H]3[C@H]1C5	575627337	SCZZXZLIWGIXOV-LHSSLCLLSA-N	399.607	3.877	50	30	GHGC	in-vitro
C[C@H]1CCc2c(sc3ncnc(SCC(=O)N/N=C/c4ccco4)c23)C1	1034614	XWJKAEXSYPYOTP-SJGMLKTKSA-N	386.502	3.652	50	30	GHGC	
CCOC(=O)/C(C#N)=C(\N=C(\N)c1cccc(C)c1)Nc1ccc(Cl)cc1	4394432	MPGBHAFQIDPEPJ-ZPHPHTNESA-N	382.851	3.764	50	30	GHGC	
N[C@H](Cc1ccc(Oc2ccc(N(CCCl)CCCl)cc2)cc1)C(=O)O	2040278	IDJLCKJFVNGXOP-GOSISDBHSA-N	397.302	3.717	50	30	GHGC	
BrC[C@H](Br)C[C@@H](Br)CBr	223677708	DMKHPDBNKIQVSK-RFZPGFLSSA-N	387.735	3.693	50	30	GHGC	
O=C(NNC(=S)Nc1ccc(Cl)c(Cl)c1)c1cccc([N+](=O)[O-])c1	13658014	UTYPGZJXWZXMAA-UHFFFAOYSA-N	385.232	3.533	50	30	GHGC	
O=C(NNc1c(Cl)cccc1Cl)NS(=O)(=O)c1ccc(Cl)cc1	1042806	LJHXBUDUBRXZAW-UHFFFAOYSA-N	394.667	3.662	50	30	GHGC	
Cc1cc(C(F)(F)F)cc(NNC(=O)NC(=O)c2c(F)cccc2Cl)n1	1024308	AGFXUJKQMUVYCL-UHFFFAOYSA-N	390.724	3.668	50	30	GHGC