smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CCOC(=O)[C@@H](C)Oc1ccc(NC(=O)C(Cl)Cl)cc1	73312	RVRHLALYGHKEKC-MRVPVSSYSA-N	320.172	2.759	50	30	DFGC	
O=C(F)C(F)(F)C(F)(F)C(F)(F)I	39246930	JBDSGHHKEUQNDZ-UHFFFAOYSA-N	323.933	2.781	50	30	DFGC	
CC(C)(C)c1cc(NC(=O)C(Cl)Cl)c(C(N)=O)s1	81830	LBAJGGNYWGDSFL-UHFFFAOYSA-N	309.218	2.887	50	30	DFGC	
CC(C)(C)OC(=O)[C@@H]1CC[C@@]2(C(=O)OC(C)(C)C)OO[C@H]2C1	256012768	YCWQBZCTYWZZAX-OHUAYANFSA-N	314.378	2.539	50	30	DFGC	
N/C(=N\OC(=O)C(Cl)Cl)c1cccc(Cl)c1Cl	4394104	OZENVOOQXSMRMH-UHFFFAOYSA-N	315.971	2.961	50	30	DFGC	
CC(C)(C)OC(=O)N1CC[C@H](OCCCBr)C1	253181439	GRRRFMREGWLZIK-JTQLQIEISA-N	308.216	2.797	50	30	DFGC	
CC(C)(C)S(=O)(=O)/C(C#N)=C/N1CCC(n2cccc2)CC1	170525	KSOZSIRQUKBDNX-FYWRMAATSA-N	321.446	2.703	50	30	DFGC	
C[Si](C)(C)O[Si](C)(C)CCCOC[C@H]1CNC(=O)O1	198660176	HWCIFOGFQBMQSM-LLVKDONJSA-N	305.523	2.558	50	30	DFGC	
CC(C)(C)C(=O)C(C#N)=CN1CCN(c2ccccc2F)CC1	2265272038	KIZZPFOKRQYQDR-UHFFFAOYSA-N	315.392	2.970	50	30	DFGC	
O=C(NCCCI)OCc1ccccc1	142048680	KVVPUCWDNQTALZ-UHFFFAOYSA-N	319.142	2.738	50	30	DFGC	
C=CCc1ccccc1OC[C@@H](O)CC(=O)CBr	5157923	HRMJBRPAXCNHNS-ZDUSSCGKSA-N	313.191	2.509	50	30	DFGC	
O=C(O)/C(=N/NC(=O)c1ccc(Cl)cc1)c1ccccc1	4709479	OMWHIZYWVNSOHM-GHRIWEEISA-N	302.717	2.559	50	30	DFGC	
O=C1[C@@H](Br)CCN1c1ccc(Br)cc1	82606586	QUUGICKQIQTLKC-VIFPVBQESA-N	318.996	2.949	50	30	DFGC	
COC(=O)c1sccc1N/C=C(\C#N)C(=O)c1ccco1	2151677	CAXIMPROZQSDTN-CMDGGOBGSA-N	302.311	2.830	50	30	DFGC	
C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O	195765690	CZSXTFUJNVGZFO-UHFFFAOYSA-N	312.663	2.969	50	30	DFGC	
N#C/C(=C\Nc1cccnc1)S(=O)(=O)c1ccc(Cl)cc1	18096915	ZJMBGMMHYRWXEA-GXDHUFHOSA-N	319.773	2.986	50	30	DFGC	
O=C1[C@H](Br)CCCN1Cc1ccc(F)cc1F	70494641	NJNXVDXLFSMGPK-SNVBAGLBSA-N	304.134	2.851	50	30	DFGC	in-vitro
Cn1cccc1C(=O)NNC(=N)CSc1ccc(Cl)cc1	142420	SCNVAUONBAKLAH-UHFFFAOYSA-N	322.821	2.682	50	30	DFGC	
O=C1OC(=O)c2ccc([N+](=O)[O-])c3c(Br)ccc1c23	196367856	ZRPGFZZBMXLXBO-UHFFFAOYSA-N	322.070	2.821	50	30	DFGC	
CC(C)(C)OC(=O)N1CCC(OCCBr)CC1	132410105	QTESIKRAHHMHFT-UHFFFAOYSA-N	308.216	2.797	50	30	DFGC	
CCOC(=O)N/N=C/c1ccc(OC)c(Br)c1	172032	MDXQYMCWCFBBQO-NTUHNPAUSA-N	301.140	2.538	50	30	DFGC	
O=C(NNC1=Nc2ccccc2SC1)c1ccccc1F	160415	CBHCCNCRQPPQGR-UHFFFAOYSA-N	301.346	2.896	50	30	DFGC	
O=C1[C@H](Br)CCN1c1ccccc1OC(F)F	68593377	DHPRXNQSGKONHK-SSDOTTSWSA-N	306.106	2.788	50	30	DFGC	in-vitro
COc1ccc(/C=N/NC(=O)c2c(C)nc3cc(C)ccn23)cc1	135306	QARLHKFOXHBYCN-YBFXNURJSA-N	322.368	2.724	50	30	DFGC	
O=C(NNC(=O)c1c(F)cccc1F)c1ccccc1Cl	41779271	QTKWCCXTBVXEDP-UHFFFAOYSA-N	310.687	2.693	50	30	DFGC	
Cc1nnsc1C(=O)NNc1c(Cl)cccc1Cl	153006	PSMQDNGIUXIPQH-UHFFFAOYSA-N	303.174	2.910	50	30	DFGC	
C=CCc1ccccc1OC[C@H](O)CC(=O)CBr	5157920	HRMJBRPAXCNHNS-CYBMUJFWSA-N	313.191	2.509	50	30	DFGC	
N#C/C(=C\N1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1	165777	VWPISDGKZOXAIT-SDNWHVSQSA-N	310.806	2.965	50	30	DFGC	
CN(C)c1ccc(/C=N/NC(=O)c2ccncc2)c(Cl)c1	66924	APRHZTIMJMGQKK-VCHYOVAHSA-N	302.765	2.565	50	30	DFGC	
NC(=O)[C@@]1(c2ccc(Cl)c(Cl)c2Cl)O[C@@H]1Cl	2015113	BRSYMLUWFHEDPI-CBAPKCEASA-N	300.956	2.923	50	30	DFGC	
COc1ccccc1C(=O)NNc1ncccc1C(F)(F)F	77971	WUFGYSZFTUTGNU-UHFFFAOYSA-N	311.263	2.866	50	30	DFGC	
COc1ccccc1C(=O)NNc1cc(C(F)(F)F)ccn1	4335869	GHLXYRMPNVWKCI-UHFFFAOYSA-N	311.263	2.866	50	30	DFGC	
O=C1[C@@H](I)CCCN1Cc1ccccc1	39175980	GHLHRLFHNZXNKO-NSHDSACASA-N	315.154	2.613	50	30	DFGC	
CCOc1ccsc1C(=O)NNC(=O)c1ccc(Cl)cc1	82839	CTBHZAYZTHLUSQ-UHFFFAOYSA-N	324.789	2.875	50	30	DFGC	
COc1ccc(CNC(C#N)=C2C(=O)c3ccccc3C2=O)cc1	100394197	LVHLHPYBPOORBI-UHFFFAOYSA-N	318.332	2.642	50	30	DFGC	
CCOC(=O)/C(C#N)=C/Nc1ccccc1OC(F)(F)F	13658886	DPOCJGUGTIDADA-CMDGGOBGSA-N	300.236	2.968	50	30	DFGC	
Cc1nc(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cs1	120915	HNIPTDZEEUWNAM-UHFFFAOYSA-N	317.414	2.824	50	30	DFGC	
COc1cccc(C(=O)NNc2cc(C(F)(F)F)ccn2)c1	78014	SFAHIIFDWUDXSZ-UHFFFAOYSA-N	311.263	2.866	50	30	DFGC	
Cc1cccc(B(OOCC2CC2)OC(C)(C)C(C)(C)O)c1	604972776	KQFSOAXJSOJRMM-UHFFFAOYSA-N	306.211	2.615	50	30	DFGC	
O=C(NNC(=O)c1ccc[nH]1)Nc1cc(Cl)cc(Cl)c1	111557	UZUORDIJULNMKD-UHFFFAOYSA-N	313.144	2.788	50	30	DFGC	
N#C/C(=C\c1c(Cl)cccc1Cl)C(=O)N1CCOCC1	143892	KEYKVMSHBBYQJA-CSKARUKUSA-N	311.168	2.759	50	30	DFGC	
Cc1nc(C)c(C(=O)NNC(=O)Nc2ccc(Cl)cc2)s1	120451	HHVHWLYMQPGOQW-UHFFFAOYSA-N	324.793	2.880	50	30	DFGC	
O=C(CBr)COc1ccc(Br)cc1	407985676	HVSNFVGMIJICLJ-UHFFFAOYSA-N	307.969	2.792	50	30	DFGC	
CCOC(=O)/C(C#N)=C/Nc1ccc(F)cc1Br	84576	LXMOHVYYTQCBSV-BQYQJAHWSA-N	313.126	2.971	50	30	DFGC	
NNC(=O)c1oc2nc(-c3ccco3)cc(-c3ccco3)c2c1N	159875	FKOQQCBELUXQDI-UHFFFAOYSA-N	324.296	2.534	50	30	DFGC	
CC(C)(C)OC(=O)NNC(=O)c1ccc(OC(F)(F)F)cc1	17398569	PJHSGAJDLCKGGX-UHFFFAOYSA-N	320.267	2.755	50	30	DFGC	
O=C1c2ccccc2C(=O)N1c1ccncc1CBr	95931438	KXDDLBGQKIVTOX-UHFFFAOYSA-N	317.142	2.777	50	30	DFGC	
C/C=C(\C)C(=O)NNC(=O)c1sc(-c2ccccc2)nc1C	3118954	HEAHULMJCXSSSS-ONNFQVAWSA-N	315.398	2.846	50	30	DFGC	
CCOCc1cc(OC)c(C(=O)CBr)c(OC)c1	1082544997	MFYZFAHCRFTSNC-UHFFFAOYSA-N	317.179	2.818	50	30	DFGC	
Cc1noc(C)c1C(=O)NNc1c(Cl)cncc1Cl	146802	LUOYPTAYOGIANA-UHFFFAOYSA-N	301.133	2.750	50	30	DFGC	
COC(=O)/C(C#N)=C/c1c(-c2ccccc2)nc2n1CCS2	108943	CYWXTWORICKIHN-FMIVXFBMSA-N	311.366	2.736	50	30	DFGC	
CCOc1ccccc1C=NNC(=O)c1ccc2c(c1)OCO2	245263875	BIKNAMKPYCQNCH-UHFFFAOYSA-N	312.325	2.578	50	30	DFGC	
CC(C)(C)OC(=O)N1CCC(c2nnc(CCl)o2)CC1	91301488	AEZFANXHWGQBKU-UHFFFAOYSA-N	301.774	2.923	50	30	DFGC	
CCOC(=O)/C(C#N)=C/Nc1ccc(Oc2cccnc2)nc1	6146353	JGXZKIFRABGHNP-FMIVXFBMSA-N	310.313	2.651	50	30	DFGC	
N#CC(C#N)=CNc1cc(C(F)(F)F)ccc1N1CCOCC1	68250	FZRGTVFCJLQZSU-UHFFFAOYSA-N	322.290	2.885	50	30	DFGC	
O=P(c1ccccc1)(c1ccc(O)cc1)c1ccc(O)cc1	103834431	FYXPKOPFEGFWHG-UHFFFAOYSA-N	310.289	2.737	50	30	DFGC	
CCCCC#Cc1ccc(C(=O)NNC(=O)c2cccs2)o1	4364184	AOTVOGGFIITYNF-UHFFFAOYSA-N	316.382	2.958	50	30	DFGC	
CC(C)(C)OC(=O)[C@@H]1CC[C@@]2(C(=O)OC(C)(C)C)OO[C@@H]2C1	113592191	YCWQBZCTYWZZAX-GLKRBJQHSA-N	314.378	2.539	50	30	DFGC	
CCCCC#Cc1cncc(C(=O)NNC(=O)c2ccccc2)c1	4364065	MROHZCDJOJQHAO-UHFFFAOYSA-N	321.380	2.698	50	30	DFGC	
COc1cccc(C(=O)NNc2ncccc2C(F)(F)F)c1	77975	RYPRQGNTIOYIME-UHFFFAOYSA-N	311.263	2.866	50	30	DFGC	
O=C(NCCCCCCI)C(F)(F)F	34575220	NIHKLIXQNLLSOK-UHFFFAOYSA-N	323.096	2.660	50	30	DFGC	
CC[C@H](C(=O)NNC(=O)c1ccc(OC)cc1)c1ccccc1	2160933	GPSRZJXTKIPZIG-INIZCTEOSA-N	312.369	2.650	50	30	DFGC	
O=C(NNC(=O)c1ccc2ncccc2c1)Nc1ccccc1	171314	AANDRYADZPBJMC-UHFFFAOYSA-N	306.325	2.701	50	30	DFGC	
N/C(=N\NC(=O)Nc1ccccc1)c1ccc(C(F)(F)F)cn1	4394792	NMBZAFPCYILWJO-UHFFFAOYSA-N	323.278	2.542	50	30	DFGC	
CSc1cc(OC(C)=O)ccc1C(=O)CBr	33605411	WXGUAWDYFDYWSE-UHFFFAOYSA-N	303.177	2.911	50	30	DFGC	
CCOC(=O)c1ccccc1[C@H](Br)C(=O)OCC	34645323	DMRQDZQVZWPPEF-NSHDSACASA-N	315.163	2.862	50	30	DFGC	
CC(C)(CC(=O)O)CC(=O)NNc1c(Cl)cncc1Cl	4324866	FYXCUKZJBCLISK-UHFFFAOYSA-N	320.176	2.723	50	30	DFGC	
CC(C)(C)OC(=O)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)O	196160836	WEHOBOMKSMVHCX-JTQLQIEISA-N	319.474	2.986	50	30	DFGC	
C=CCn1c(N)c(C(=O)N/N=C/c2cccs2)sc1=S	4333673	NXFSUMDJUYNMAC-VGOFMYFVSA-N	324.456	2.873	50	30	DFGC	
O=C(CSc1ccc(Cl)cc1)NN=Cc1cccnc1	13115205	UUYSRSHGKWBVBM-UHFFFAOYSA-N	305.790	2.977	50	30	DFGC	
NNC(=O)CSCc1nc(-c2ccc(Cl)cc2)cs1	149857	ZGTUSQDWNQACDF-UHFFFAOYSA-N	313.835	2.687	50	30	DFGC	
O=C(NNC(=S)N[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(Cl)cc1	102933190	AMBCFOKGIINHKS-GAFUQQFSSA-N	323.849	2.638	50	30	DFGC	
Cc1nc(C(=O)NNc2ccc(F)cc2)c(C(F)(F)F)o1	4383014	OSBHKHRWADXKMW-UHFFFAOYSA-N	303.215	2.898	50	30	DFGC	
NNC(=O)c1csc(COc2cc(Cl)cc(Cl)c2)n1	120732	LZVJZCRYIHREAG-UHFFFAOYSA-N	318.185	2.632	50	30	DFGC	
COc1ccc(CC(=O)N/N=C/c2ccc(C)cc2)cc1OC	100437	TXZFQCRUBVZNHL-XDHOZWIPSA-N	312.369	2.705	50	30	DFGC	
CC(C)(C)[Si](C)(C)OC[C@@]1(c2ccccc2)NC(=O)NC1=O	504491704	GQLLPPAGTKNKLY-INIZCTEOSA-N	320.465	2.743	50	30	DFGC	
CO[Si](C[C@H](C)SCCc1ccncc1)(OC)OC	200049038	MQGPKQPSPLQBBD-LBPRGKRZSA-N	301.484	2.624	50	30	DFGC	
O=C(NNc1ccccn1)NC(=O)c1ccc(C(F)(F)F)cc1	12369623	QUMHKYFKWGTUJL-UHFFFAOYSA-N	324.262	2.567	50	30	DFGC	
O=C(F)[C@]1(C(F)(F)F)OC(F)(F)[C@@](F)(C(F)(F)F)O1	100424336	IHZQVNJWZLTECJ-PWNYCUMCSA-N	310.043	2.609	50	30	DFGC	
O=C1OC(=O)c2c(/N=N/c3cccc4c3C(=O)OC4=O)cccc21	198906960	RSAGQQQIRZLFHJ-ISLYRVAYSA-N	322.232	2.723	50	30	DFGC	
O=C(N/N=C/c1ccc(F)cc1)N/N=C/c1ccc(F)cc1	171917	YWPDBZZZFFTTCZ-VNIJRHKQSA-N	302.284	2.632	50	30	DFGC	
FC(F)(CBr)OC(F)(F)CBr	224438996	ASTCJHLXHXTVKL-UHFFFAOYSA-N	303.875	2.978	50	30	DFGC	
COC(=O)c1sccc1NNC(=O)c1ccc(Cl)cc1	82718	CSHJHINMYMDDEO-UHFFFAOYSA-N	310.762	2.945	50	30	DFGC	
COC(=O)c1nc(Br)ccc1CBr	95642719	IXAAFZVDPRFCMP-UHFFFAOYSA-N	308.957	2.526	50	30	DFGC	
NNC(=O)c1csc(-c2ccc(C3SCCS3)cc2)n1	121485	PLOAVRYKWGGMKH-UHFFFAOYSA-N	323.468	2.892	50	30	DFGC	
CCOC(=O)NNC(=S)Nc1ccc(Cl)c(Cl)c1	4394237	QHKPUPWODTVKOW-UHFFFAOYSA-N	308.190	2.941	50	30	DFGC	
O=C1[C@@H](Br)CCCN1Cc1ccc(F)cc1F	70494640	NJNXVDXLFSMGPK-JTQLQIEISA-N	304.134	2.851	50	30	DFGC	in-vitro
Oc1ccc(N(CCBr)CCBr)cc1	5420800	SVMALHWUCBPBFC-UHFFFAOYSA-N	323.028	2.988	50	30	DFGC	
O=C(c1nc2ccccc2[nH]1)C(Br)Br	100285424	CEVWXGUTNVKVJI-UHFFFAOYSA-N	317.968	2.862	50	30	DFGC	
Cc1nnsc1C(=O)NNc1cc(Cl)ccc1Cl	146656	UMQJDOILPGECLI-UHFFFAOYSA-N	303.174	2.910	50	30	DFGC	
O=C(CCl)ON=C1C(=O)N(c2ccccc2)c2ccccc21	254808350	QRYTVZDLNNPAEK-UHFFFAOYSA-N	314.728	2.851	50	30	DFGC	
N#C/C(=C\Nc1ccc(Cl)cn1)S(=O)(=O)c1ccccc1	96427	JUYYLGBVCWJQLK-JLHYYAGUSA-N	319.773	2.986	50	30	DFGC	
CN(NC(=O)c1c(F)cccc1Cl)c1ccc([N+](=O)[O-])cn1	4364969	UVEVJMHVBMCIPK-UHFFFAOYSA-N	324.699	2.564	50	30	DFGC	
CCOc1ccc(NC(C)=O)cc1CNCCBr	2002453	BTXJHIWXGPNCCB-UHFFFAOYSA-N	315.211	2.528	50	30	DFGC	
CC1(C)C[C@H](C(=O)Oc2ccc([N+](=O)[O-])cc2)C(C)(C)N1[O]	100110706	LJQNUWWVYJMKTA-GFCCVEGCSA-N	307.326	2.725	50	30	DFGC	
O=C1O[C@@H](CI)C2(CCC2)C12CCC2	725343472	DKHBCQOIMGHLEM-QMMMGPOBSA-N	306.143	2.687	50	30	DFGC	
NNC(=O)c1ccc(CSc2ccc(C(F)(F)F)cn2)o1	149998	VUDZPUWSTPDFTA-UHFFFAOYSA-N	317.292	2.589	50	30	DFGC	
Cc1ccc(C(=O)N2CC2)cc1N(CCCl)CCCl	1998295	VTYLNSUQSLUEGV-UHFFFAOYSA-N	301.217	2.735	50	30	DFGC	
O=C(NNC=C1OC(=O)c2ccccc21)c1ccc(Cl)cc1	2265270015	VBYDCLIAAUDOMG-UHFFFAOYSA-N	314.728	2.743	50	30	DFGC	
Cn1nc(C(F)(F)F)c(CBr)c1OC(F)F	34644980	CXLRTEKQMOULAX-UHFFFAOYSA-N	309.032	2.935	50	30	DFGC	
O=C(NNC(=S)N[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(Cl)cc1	102933189	AMBCFOKGIINHKS-XHVZSJERSA-N	323.849	2.638	50	30	DFGC	
O=C1[C@@H](Br)CCN1c1ccccc1OC(F)F	68593372	DHPRXNQSGKONHK-ZETCQYMHSA-N	306.106	2.788	50	30	DFGC	in-vitro
COC(=O)/C(C#N)=C/c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	4336145	IRJBPUOADKGHLN-UKTHLTGXSA-N	315.329	2.665	50	30	DFGC	
O=C(CCl)N1CCN(c2cccc(Cl)c2Cl)CC1	43830403	NHIBNRMGDYAKMV-UHFFFAOYSA-N	307.608	2.881	50	30	DFGC	
CC(C)(C)[Si](C)(C)OC[C@]1(c2ccccc2)NC(=O)NC1=O	504491705	GQLLPPAGTKNKLY-MRXNPFEDSA-N	320.465	2.743	50	30	DFGC	
O=C1[C@H](Br)CCN1c1ccc(Br)cc1	82606587	QUUGICKQIQTLKC-SECBINFHSA-N	318.996	2.949	50	30	DFGC	
O=C(CCl)c1c[nH]c(C=NNc2ccc([N+](=O)[O-])cc2)c1	602987244	JWURPQAPACOLQC-UHFFFAOYSA-N	306.709	2.790	50	30	DFGC	
CC(C)(C)OC(=O)[C@@H]1CC[C@]2(C(=O)OC(C)(C)C)OO[C@H]2C1	256012767	YCWQBZCTYWZZAX-GDLVEWKHSA-N	314.378	2.539	50	30	DFGC	
N#C/C(=C\c1ccc(Cl)c(Cl)c1)C(=O)N1CCOCC1	143886	GEPLIFHQLHTDHG-YRNVUSSQSA-N	311.168	2.759	50	30	DFGC	
N#C/C(=C\Nc1ccccn1)S(=O)(=O)c1ccc(Cl)cc1	18154291	OOSDPMUYYAIBKG-JLHYYAGUSA-N	319.773	2.986	50	30	DFGC	
N#C/C(=C\Nc1ccccc1Cl)S(=O)(=O)c1ccccn1	6058856	QAJXSSQETDQNDS-ZHACJKMWSA-N	319.773	2.986	50	30	DFGC	
CC(C)(CI)CI	100074302	GDVIDBDQSYVBSD-UHFFFAOYSA-N	323.943	2.883	50	30	DFGC	
O=C(F)[C@@]1(C(F)(F)F)OC(F)(F)[C@](F)(C(F)(F)F)O1	100424339	IHZQVNJWZLTECJ-HRFVKAFMSA-N	310.043	2.609	50	30	DFGC	
CC(C)(C)OC(=O)N[C@H](C(=O)CBr)C(C)(C)C	706940761	GERQPZNLINQGPB-SECBINFHSA-N	308.216	2.890	50	30	DFGC	
COc1ccc(NC(C)=O)cc1CN(CCCl)CCCl	95862124	MFPNFDGCKNZNOX-UHFFFAOYSA-N	319.232	2.933	50	30	DFGC	
CC(C)(C)OC(=O)N1CC[C@@H](OCCCBr)C1	253181440	GRRRFMREGWLZIK-SNVBAGLBSA-N	308.216	2.797	50	30	DFGC	
Cc1csc(C(=O)NNC(=O)c2cccs2)c1Cl	82105	ZPRYNXKSYQQKEN-UHFFFAOYSA-N	300.792	2.846	50	30	DFGC	
CC(C)(C)S(=O)(=O)/C(C#N)=C/c1csc([N+](=O)[O-])c1	107483	YZBWKQXRRNGBEF-RUDMXATFSA-N	300.361	2.734	50	30	DFGC	
C[Si](C)(C)O[Si](C)(C)CCCOC[C@@H]1CNC(=O)O1	198660154	HWCIFOGFQBMQSM-NSHDSACASA-N	305.523	2.558	50	30	DFGC	
Cc1nc(COc2ccc(C(C)(C)C)cc2)sc1C(=O)NN	120711	JCEADAFEQBBQSZ-UHFFFAOYSA-N	319.430	2.932	50	30	DFGC	
CSC1=C(C#N)C(=O)N[C@@H](c2ccc([N+](=O)[O-])cc2)S1	137139	HLYLUPJNRABWFX-LLVKDONJSA-N	307.356	2.555	50	30	DFGC	
CCOC(=O)c1ccccc1[C@@H](Br)C(=O)OCC	34645324	DMRQDZQVZWPPEF-LLVKDONJSA-N	315.163	2.862	50	30	DFGC	
COC(=O)c1ccc(Br)nc1CBr	95642713	CAILXUHFQVNYCN-UHFFFAOYSA-N	308.957	2.526	50	30	DFGC	
CC(C)(C)OC(=O)[C@@H]1CC[C@]2(C(=O)OC(C)(C)C)OO[C@@H]2C1	113592185	YCWQBZCTYWZZAX-UVWXRNBGSA-N	314.378	2.539	50	30	DFGC	
COc1ccccc1C(=O)NNc1ccc(C(F)(F)F)cn1	77959	IROQLOMRBOQGEI-UHFFFAOYSA-N	311.263	2.866	50	30	DFGC	
O=C(F)[C@@]1(C(F)(F)F)OC(F)(F)[C@@](F)(C(F)(F)F)O1	100424333	IHZQVNJWZLTECJ-STHAYSLISA-N	310.043	2.609	50	30	DFGC	
Cc1cc(-c2onc(C)c2C(=O)N/N=C/c2ccccc2)no1	122686	SQZSSNGMPBRYDR-RQZCQDPDSA-N	310.313	2.710	50	30	DFGC	
COC(=O)/C(C#N)=C\c1cc([N+](=O)[O-])ccc1N1CCCCC1	4336142	LLMSOOWVIANEKW-LCYFTJDESA-N	315.329	2.665	50	30	DFGC	
O=C1O[C@H](CI)C2(CCC2)C12CCC2	725343471	DKHBCQOIMGHLEM-MRVPVSSYSA-N	306.143	2.687	50	30	DFGC	
N#C/C(=C\N1CCc2ccccc21)S(=O)(=O)Cc1ccco1	149512	WLHWKGROMHYLMR-RVDMUPIBSA-N	314.366	2.622	50	30	DFGC	
O=C(NNC1=Nc2ccccc2SC1)c1ccc(F)cc1	160424	BOYCKPIBHFDBFH-UHFFFAOYSA-N	301.346	2.896	50	30	DFGC	
CC(=O)N/N=C/c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1	149570	RAFWIUZXZVJWLN-OMCISZLKSA-N	316.308	2.637	50	30	DFGC	
NC(=O)[C@]1(c2ccc(Cl)c(Cl)c2Cl)O[C@@H]1Cl	2015114	BRSYMLUWFHEDPI-IONNQARKSA-N	300.956	2.923	50	30	DFGC	
N#C/C(=C\c1ccc(F)cc1F)S(=O)(=O)c1ccccn1	106221	AWSGKXPGYGBIDS-KPKJPENVSA-N	306.293	2.698	50	30	DFGC	
O=C(NNC(=O)c1cccs1)c1ccc(C(F)(F)F)cc1	112903	SDLUKPRJWQIMCO-UHFFFAOYSA-N	314.288	2.842	50	30	DFGC	
CSC1=C(C#N)C(=O)N[C@H](c2ccc([N+](=O)[O-])cc2)S1	137141	HLYLUPJNRABWFX-NSHDSACASA-N	307.356	2.555	50	30	DFGC	
Cc1nn(-c2ccccc2)cc1/C=N/NC(=O)Cc1ccccc1	159527	GWKRLFGDSDKPLQ-DEDYPNTBSA-N	318.380	2.874	50	30	DFGC	
CC(C)(C)c1cc(C(=O)NNC(=O)c2ccc(Cl)cc2)no1	122060	SWAKDKCGJNRDSX-UHFFFAOYSA-N	321.764	2.700	50	30	DFGC	
CCOC(=O)c1cc(Br)cnc1CBr	238304298	BIUBFADHNONGGX-UHFFFAOYSA-N	322.984	2.916	50	30	DFGC	
CC(C)(C)OC(=O)N[C@@H](C(=O)CBr)C(C)(C)C	706940762	GERQPZNLINQGPB-VIFPVBQESA-N	308.216	2.890	50	30	DFGC	
NC(=O)[C@]1(c2ccc(Cl)c(Cl)c2Cl)O[C@H]1Cl	2015116	BRSYMLUWFHEDPI-VXNVDRBHSA-N	300.956	2.923	50	30	DFGC	
Cc1cc(C(=O)NN)nn1-c1c(Cl)cc(Cl)cc1Cl	115216	PYXBKLOPHHZFRB-UHFFFAOYSA-N	319.579	2.744	50	30	DFGC	
O=C(NNC(=S)Nc1ccccc1)c1cc(Cl)ccc1O	83151	OLJICOLYBFVBCV-UHFFFAOYSA-N	321.789	2.677	50	30	DFGC	
O=C(NNC(=O)c1ccc[nH]1)Nc1cccc(C(F)(F)F)c1	105613	PKOLUVQVJRZAPT-UHFFFAOYSA-N	312.251	2.500	50	30	DFGC	
Cc1cc(NNC(=O)c2ccc([N+](=O)[O-])o2)c2ccccc2n1	83241	AIBBIZGYPKBWHK-UHFFFAOYSA-N	312.285	2.801	50	30	DFGC	
CSC1=C(C#N)[C@](O)(c2cccs2)NC(C(F)(F)F)=N1	124473	SJASARCTPZQNJE-JTQLQIEISA-N	319.333	2.555	50	30	DFGC	
CC(C)S(=O)(=O)c1cscc1N/C=C(/C#N)C(=O)C1CC1	2148597	ASONSQUPNPAZBP-WDZFZDKYSA-N	324.427	2.729	50	30	DFGC	
O=C1[C@H](I)CCCN1Cc1ccccc1	39175981	GHLHRLFHNZXNKO-LLVKDONJSA-N	315.154	2.613	50	30	DFGC	
N#CC(=CNc1ccc(Nc2ccccc2)cc1)c1nn[nH]n1	2265279815	FLPLCJJGNZGOAW-UHFFFAOYSA-N	303.329	2.920	50	30	DFGC	
N#C/C(=C\NCc1ccco1)S(=O)(=O)c1ccc(Cl)cc1	20442180	YPTURDNVLBKRLX-GXDHUFHOSA-N	322.773	2.861	50	30	DFGC	
Cc1nc(C(=O)NNC(=O)Nc2ccc(Cl)cc2)cs1	120901	BDPAJGIZRMDVFD-UHFFFAOYSA-N	310.766	2.571	50	30	DFGC	
C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCO)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4	43967828	DMOJNLHMYHJZHQ-LTLPSTFDSA-N	312.406	2.619	50	30	DFGC	
CC[C@@H](C(=O)NNC(=O)c1ccc(OC)cc1)c1ccccc1	2160937	GPSRZJXTKIPZIG-MRXNPFEDSA-N	312.369	2.650	50	30	DFGC	
O=C(Cc1cc(F)cc(F)c1)NNC(=O)c1ccc(Cl)cc1	110573	TUQWAHRGHHSZIM-UHFFFAOYSA-N	324.714	2.622	50	30	DFGC	
CCOC(=O)NNC(=S)Nc1ccc(Cl)cc1Cl	3078734	DOVUHBWPMPTOHV-UHFFFAOYSA-N	308.190	2.941	50	30	DFGC	
CCOC(=O)NNC(=S)Nc1ccccc1C(F)(F)F	3119837	AUVNTPAVQGYKKF-UHFFFAOYSA-N	307.297	2.653	50	30	DFGC	
Cc1nnsc1C(=O)NNc1ccccc1C(F)(F)F	147162	AYMRVVVSVWRCNU-UHFFFAOYSA-N	302.281	2.622	50	30	DFGC	
Cc1nc(Cc2c(Cl)cccc2Cl)sc1C(=O)NN	120766	HJDPXNWDVSTTJE-UHFFFAOYSA-N	316.213	2.953	50	30	DFGC	
O=C(F)[C@]1(C(F)(F)F)OC(F)(F)[C@](F)(C(F)(F)F)O1	100424340	IHZQVNJWZLTECJ-GBXIJSLDSA-N	310.043	2.609	50	30	DFGC	
COC[SiH](OCCc1ccccc1)OCCc1ccccc1	195766937	RYDYRQCFQOBUTC-UHFFFAOYSA-N	316.473	2.911	50	30	DFGC	
O=C1c2ccccc2C(=O)N1c1cnccc1CBr	103234815	HSNRAASXNKFNKL-UHFFFAOYSA-N	317.142	2.777	50	30	DFGC	
CCOC(=O)NN=C(C)c1ccc(Oc2ncccn2)cc1	254486360	VLIGBKFCZCKKCY-UHFFFAOYSA-N	300.318	2.739	50	30	DFGC	
Cc1ccc(NC(=S)NNC(=O)c2ccc[nH]2)cc1Cl	111600	POWIECVQEOUBLG-UHFFFAOYSA-N	308.794	2.608	50	30	DFGC	
NC(=O)c1ccc[n+](CCCCCCCCBr)c1	225441925	MBZSFJNXEWRMOM-UHFFFAOYSA-O	314.247	2.809	50	30	DFGC	
CO[C@H]1O[C@]2(C)OO[C@]13[C@H](CCO)CCC[C@@H]3CC2(C)C	43328088	BCUBFQJBIVOSFG-ABNPOPBRSA-N	300.395	2.621	50	30	DFGC	
CC1(C)C[C@@H](C(=O)Oc2ccc([N+](=O)[O-])cc2)C(C)(C)N1[O]	100110711	LJQNUWWVYJMKTA-LBPRGKRZSA-N	307.326	2.725	50	30	DFGC	
N#C/C(=C\Nc1ccc(Cl)cc1)S(=O)(=O)c1ccccn1	95307	KWHUEHZGZLLSLW-JLHYYAGUSA-N	319.773	2.986	50	30	DFGC	
CCOC(=O)[C@H](C)Oc1ccc(NC(=O)C(Cl)Cl)cc1	73315	RVRHLALYGHKEKC-QMMMGPOBSA-N	320.172	2.759	50	30	DFGC	
CCCCC#Cc1ccc(C(=O)NNC(=O)c2ccccc2)o1	4364182	YPKFQCHHTYRSBL-UHFFFAOYSA-N	310.353	2.896	50	30	DFGC	
CSC1=C(C#N)[C@@](O)(c2cccs2)NC(C(F)(F)F)=N1	124470	SJASARCTPZQNJE-SNVBAGLBSA-N	319.333	2.555	50	30	DFGC	
O=C(N/N=C/c1ccc(Cl)cc1)c1ccc2nonc2c1	171018	CKWIWUIRQRXLQG-LZYBPNLTSA-N	300.705	2.640	50	30	DFGC	
COc1ccc(C(=O)N/N=C/c2coc3ccccc3c2=O)cc1	75049	TUJGWNVEVZOMRG-VXLYETTFSA-N	322.320	2.566	50	30	DFGC	
CCOC(=O)/C(C#N)=C/Nc1nc2c(OC)cccc2s1	167395	YDZFHIHKWQSXTE-CMDGGOBGSA-N	303.343	2.687	50	30	DFGC	
NC(=O)[C@@]1(c2ccc(Cl)c(Cl)c2Cl)O[C@H]1Cl	2015115	BRSYMLUWFHEDPI-APPZFPTMSA-N	300.956	2.923	50	30	DFGC	
CC(C)(C)OC(=O)C(CBr)CBr	117045946	CLENICQNNLHHFO-UHFFFAOYSA-N	302.006	2.734	50	30	DFGC	
CC(C)(C)[Si](OCCO)(c1ccccc1)c1ccccc1	196227473	XIDWGTFDBMALGG-UHFFFAOYSA-N	300.474	2.555	50	30	DFGC	
CC(C)(C)c1ccc(C(=O)NNC(=O)c2ccccc2N)cc1	92218	IWIUJYOLANRDLM-UHFFFAOYSA-N	311.385	2.641	50	30	DFGC	
CCOC(=O)/C(C#N)=C/c1ccc(N2CCCC2)c([N+](=O)[O-])c1	4367144	DJXVNIMMAODGSZ-UKTHLTGXSA-N	315.329	2.665	50	30	DFGC	
NNC(=O)CSc1nc(-c2ccccc2)cn1-c1ccccc1	160631	AJZKAFMGODVEBG-UHFFFAOYSA-N	324.409	2.621	50	30	DFGC	
CO[Si](C[C@@H](C)SCCc1ccncc1)(OC)OC	200049074	MQGPKQPSPLQBBD-GFCCVEGCSA-N	301.484	2.624	50	30	DFGC	
CCOC(=O)N/N=C(\C)COc1ccc(-c2csnn2)cc1	4389534	XTBGZVBHZJCQBM-XNTDXEJSSA-N	320.374	2.706	50	30	DFGC