smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
COC(=O)c1c(C)c(C(F)(F)F)nn1C	217739914	CVABWWALJUFIPR-UHFFFAOYSA-N	222.166	1.534	70	40	BDIB	
O=S(=O)(F)N1CCC[C@H](C(F)(F)F)C1	1776011255	WKNWTZAFWBGCDJ-YFKPBYRVSA-N	235.202	1.475	70	40	BDIB	
O=S(=O)(F)O[C@H](C(F)F)C(F)(F)F	100045830	HMFXCJZFHUKHTL-PVQJCKRUSA-N	232.101	1.413	70	40	BDIB	
NC(=S)[C@@H]1C[C@@H]1S(=O)(=O)c1ccccc1	217983288	DZHJYHADSUKCJF-BDAKNGLRSA-N	241.337	1.135	70	40	BDIB	
CCNC(=N)N1CCS[C@@H](CC)C1	160199237	CCNAUYDJKGPSKW-QMMMGPOBSA-N	201.339	1.358	70	40	BDIB	
O=S(=O)(Cl)CCOCc1ccccc1	101632051	FVSVJFRJXMWFJM-UHFFFAOYSA-N	234.704	1.772	70	40	BDIB	
O=S(=O)(Cl)c1cnn(-c2ccccn2)c1	59312417	LNQAPNLDWVCFDY-UHFFFAOYSA-N	243.675	1.195	70	40	BDIB	in-vitro
Cc1cc(C(N)=O)cc(S(=O)(=O)Cl)c1C	108311265	FNZOHNQRJVUDKZ-UHFFFAOYSA-N	247.703	1.330	70	40	BDIB	
COCCCc1cc(O)nc(CC(C)C)n1	217786054	MPFQJQGCNMXFSY-UHFFFAOYSA-N	224.304	1.960	70	40	BDIB	
CC(=O)Nc1cc(C)ccc1OCC(=N)N	217372570	XVYUCADDQXLRAS-UHFFFAOYSA-N	221.260	1.268	70	40	BDIB	
O=S(=O)(Cl)c1ccc(Br)o1	100448595	AUKOCFUBKYOEEL-UHFFFAOYSA-N	245.481	1.970	70	40	BDIB	in-vitro
O=C(O)c1cc(S(=O)(=O)F)cs1	100440956	VKBWICAAHPQULB-UHFFFAOYSA-N	210.207	1.105	70	40	BDIB	in-vitro
Cc1cc(O)c(-c2cscn2)c(=O)o1	218309501	PTBOGQUCMHAAAX-UHFFFAOYSA-N	209.226	1.777	70	40	BDIB	
O=C(Nc1ccn2nccc2c1)C1CC1	217952401	MQYOBCLDLPKCJT-UHFFFAOYSA-N	201.229	1.683	70	40	BDIB	
COC(=O)c1ccccc1-c1ccc(C(N)=O)o1	216909992	QPHBOURGVUODNY-UHFFFAOYSA-N	245.234	1.832	70	40	BDIB	
O=S(=O)(Cl)c1cnn(C2CCCC2)c1	103115927	GIAFANNCYYMURD-UHFFFAOYSA-N	234.708	1.926	70	40	BDIB	in-vitro
CN1CCC(C(=O)Nc2cccnc2)CC1	216919821	GDTATVRFFIJLAI-UHFFFAOYSA-N	219.288	1.362	70	40	BDIB	
Cc1ccc(C)c(NC(=O)CC(=N)N)c1	217742546	TUUGZNQVVOJVTJ-UHFFFAOYSA-N	205.261	1.568	70	40	BDIB	
N=C(N)CC(=O)NCCC1=CCCCC1	217739982	JYRKGYMGELSAKE-UHFFFAOYSA-N	209.293	1.319	70	40	BDIB	
CC(C)Sc1nc2c(c(=O)[nH]1)CN(C)CC2	216845211	RFUXIPUZJXVIBU-UHFFFAOYSA-N	239.344	1.258	70	40	BDIB	
O=S(=O)(Cl)c1cnc(Cl)c(F)c1	100550427	BTIFOCMOVIICLA-UHFFFAOYSA-N	230.047	1.802	70	40	BDIB	in-vitro
O=S(=O)(Cl)c1c[nH]c2ncccc12	100290173	CNZIHLRMHLLIJQ-UHFFFAOYSA-N	216.649	1.490	70	40	BDIB	in-vitro
O=S(=O)(Cl)c1ccc2nccn2c1	211393067	JTMQJVWJVQJZEJ-UHFFFAOYSA-N	216.649	1.262	70	40	BDIB	
C[C@H]1CCCN(CCCS(=O)(=O)Cl)C1	110752660	MRPHQVWLPVXLHK-VIFPVBQESA-N	239.768	1.677	70	40	BDIB	
C[C@@H]1CCCN1CCCS(=O)(=O)Cl	110752641	OOWIJKLRDPHNRG-MRVPVSSYSA-N	225.741	1.429	70	40	BDIB	
COC(=O)c1ccc(S(=O)(=O)F)c(C)c1	675065506	IFOZDQNBELCNCD-UHFFFAOYSA-N	232.232	1.440	70	40	BDIB	
COc1cc(F)c(S(=O)(=O)Cl)c(F)c1	100606456	QFJQSXRCOGYTQB-UHFFFAOYSA-N	242.630	1.901	70	40	BDIB	in-vitro
CC(C)=CCOS(=O)(=O)C(F)(F)F	149399664	WWBQEOCOXVAAFE-UHFFFAOYSA-N	218.196	1.819	70	40	BDIB	
O=S(=O)(Cl)c1cnn(CC2CC2)c1	100502691	MWJUSOZDDOOTPT-UHFFFAOYSA-N	220.681	1.221	70	40	BDIB	in-vitro
CCOC(=O)c1ccc(=O)n(CC(C)C)c1C	218271957	PDWLAJPNTWMTML-UHFFFAOYSA-N	237.299	1.989	70	40	BDIB	
Cn1cnc2cc(S(=O)(=O)Cl)ccc21	100383255	OOPRJSVWFDUCQH-UHFFFAOYSA-N	230.676	1.501	70	40	BDIB	in-vitro
Cn1ncc(S(=O)(=O)Cl)c1C(F)(F)F	101646756	WYLMQTQGNXQZHD-UHFFFAOYSA-N	248.613	1.366	70	40	BDIB	in-vitro
O=S(=O)(Cl)c1cnc(F)c(F)c1	104539792	XLKGLGHYQVAISR-UHFFFAOYSA-N	213.592	1.287	70	40	BDIB	
CCOc1ccccc1NC(=O)CC(=N)N	217747143	SOSXQKMCFSLJBC-UHFFFAOYSA-N	221.260	1.350	70	40	BDIB	
CC(C)(C)C(=O)N1CCC[C@H](C(=N)N)C1	217357573	VPYXMPRECRBBAB-QMMMGPOBSA-N	211.309	1.207	70	40	BDIB	
O=S(=O)(Cl)CCCN1CCCC1	110752629	KUMOHKDNDIZOCW-UHFFFAOYSA-N	211.714	1.041	70	40	BDIB	
O=S(=O)(Cl)c1ccc2[nH]nc(F)c2c1	675082026	RELUSKQIAJOHTE-UHFFFAOYSA-N	234.639	1.630	70	40	BDIB	
O=C(F)[C@](F)(C(F)(F)F)S(=O)(=O)F	100478026	GNXIPZJHEFTGNR-UWTATZPHSA-N	230.085	1.010	70	40	BDIB	
O=S(=O)(Cl)c1cccc2cn[nH]c12	59222014	IMDFCHAVWXVYHC-UHFFFAOYSA-N	216.649	1.490	70	40	BDIB	
O=S(=O)(Cl)c1ccn(C2CCCC2)n1	100805355	ALUBGFPNSCJKTB-UHFFFAOYSA-N	234.708	1.926	70	40	BDIB	
CCCCS(=O)(=O)Br	103603620	KWYMVQMYZBVTAZ-UHFFFAOYSA-N	201.085	1.511	70	40	BDIB	
CCn1cc(C2=NN=C(O)[C@@H]3C[C@@H]23)cn1	217832430	ITQJIBNGQATVDI-HTQZYQBOSA-N	204.233	1.213	70	40	BDIB	
COc1cccc(S(=O)(=O)Cl)c1OC	100220233	HWBGESNUXOCFIT-UHFFFAOYSA-N	236.676	1.631	70	40	BDIB	
N=C(N)CC(=O)Nc1cccc(Cl)c1	217743983	QYKOUGKZGUBTSB-UHFFFAOYSA-N	211.652	1.605	70	40	BDIB	
Cc1nc(NCCN)cc(Nc2ccccc2)n1	217677792	DYGPODSIFGHCAK-UHFFFAOYSA-N	243.314	1.899	70	40	BDIB	
CNC(=O)c1ccc(S(=O)(=O)Cl)cc1C	101435117	QMTLGQWOGVXPCO-UHFFFAOYSA-N	247.703	1.282	70	40	BDIB	
Cc1ncncc1-c1nnc([C@H]2CCCNC2)o1	216664733	RFFWUMMMJLAXQU-VIFPVBQESA-N	245.286	1.302	70	40	BDIB	
CCOc1cc(S(=O)(=O)Cl)ccc1C#N	100473719	XIZRNNXWVXSAOI-UHFFFAOYSA-N	245.687	1.884	70	40	BDIB	in-vitro
Cc1cc(C)nc(S(=O)(=O)Cl)c1	103605006	NPRWRNSUXNXBNR-UHFFFAOYSA-N	205.666	1.626	70	40	BDIB	
CCCNc1ccc(N)cc1C(=O)N(C)C	217678928	PIYJYSZUFYBTIQ-UHFFFAOYSA-N	221.304	1.793	70	40	BDIB	
CC(=O)Nc1ccc(C)c(S(=O)(=O)Cl)c1	60003372	BCGUUSFEJVCVLK-UHFFFAOYSA-N	247.703	1.881	70	40	BDIB	
CSc1ccccc1NC(=O)CC(=N)N	217751869	VRUDIBYCGIEKFE-UHFFFAOYSA-N	223.301	1.673	70	40	BDIB	
COc1ncc(Cl)cc1S(=O)(=O)Cl	104536852	NXSVBFKTYWUUHZ-UHFFFAOYSA-N	242.083	1.671	70	40	BDIB	
CCc1cccc(C)c1NC(=O)CC(=N)N	217742763	UAYWEKOWKVPNIM-UHFFFAOYSA-N	219.288	1.822	70	40	BDIB	
O=[N+]([O-])c1cc(F)cc(S(=O)(=O)Cl)c1	100585076	JZJTXMFIKXSDMR-UHFFFAOYSA-N	239.611	1.661	70	40	BDIB	in-vitro
COc1ccc(NC(C)=O)cc1S(=O)(=O)F	100410874	XFVROKNKBOFKJS-UHFFFAOYSA-N	247.247	1.312	70	40	BDIB	
CCCCn1ncc(S(=O)(=O)Cl)c1C	100777564	RZTYZJHPFXIWDS-UHFFFAOYSA-N	236.724	1.919	70	40	BDIB	
O=C(O)c1ccc(Cl)c(S(=O)(=O)F)c1	103525262	OCCARFCMLHJVFB-UHFFFAOYSA-N	238.623	1.696	70	40	BDIB	
O=S(=O)(Cl)c1c[nH]c2cccnc12	211393156	SCERYSAQVIRKCQ-UHFFFAOYSA-N	216.649	1.490	70	40	BDIB	
c1cc2c(c(-c3cnc[nH]3)c1)OCCO2	217570437	YDOYJUKJQTYETO-UHFFFAOYSA-N	202.213	1.848	70	40	BDIB	
N=C(N)CC(=O)Nc1ccc(Cl)cc1	217744102	UZOANTJJGCPUPP-UHFFFAOYSA-N	211.652	1.605	70	40	BDIB	
N=C(N)CC(=O)NC1CCCCCCC1	217753310	CGNINDRNYMOFHW-UHFFFAOYSA-N	211.309	1.542	70	40	BDIB	
O=[N+]([O-])c1ccc(CCS(=O)(=O)Cl)cc1	95696965	LCUFMYFBIXFCMV-UHFFFAOYSA-N	249.675	1.706	70	40	BDIB	
COc1ncccc1S(=O)(=O)Cl	100003428	LYKXXCYWOSGOIA-UHFFFAOYSA-N	207.638	1.018	70	40	BDIB	in-vitro
CC[C@@H](C)n1nccc1S(=O)(=O)Cl	100804783	TUNSDONYUQYIRX-ZCFIWIBFSA-N	222.697	1.782	70	40	BDIB	
COc1nccc(S(=O)(=O)F)c1Cl	1535627824	BSAIDMDRBUATNT-UHFFFAOYSA-N	225.628	1.402	70	40	BDIB	
CC1CCN(CCCS(=O)(=O)Cl)CC1	110752664	LKMWFJAPJKVUSK-UHFFFAOYSA-N	239.768	1.677	70	40	BDIB	
N#CCOc1ccc(S(=O)(=O)Cl)cc1	218310306	DKRMZWHVEXUXRB-UHFFFAOYSA-N	231.660	1.516	70	40	BDIB	
CC(C)Cn1cc(C2=NN=C(O)[C@H]3C[C@H]23)cn1	217833404	BTIJETLPYSFUBQ-UWVGGRQHSA-N	232.287	1.849	70	40	BDIB	
CC(C)n1ccc(S(=O)(=O)Cl)n1	100805348	UQKMYXQXNOLLRT-UHFFFAOYSA-N	208.670	1.392	70	40	BDIB	in-vitro
CC(C)Cn1cc(C2=NN=C(O)[C@H]3C[C@@H]23)cn1	217833194	BTIJETLPYSFUBQ-ZJUUUORDSA-N	232.287	1.849	70	40	BDIB	
O=S(=O)(F)N1CCC(C(F)F)CC1	1776011192	KEQNWAIVVKRNBG-UHFFFAOYSA-N	217.212	1.178	70	40	BDIB	
CC[C@H](C)n1nccc1S(=O)(=O)Cl	100804784	TUNSDONYUQYIRX-LURJTMIESA-N	222.697	1.782	70	40	BDIB	
Cc1ccc(N)c(CC(=O)NC[C@H]2CCCO2)c1	217786633	MZDWRMCRQRRBFR-GFCCVEGCSA-N	248.326	1.415	70	40	BDIB	
Cc1nn(CCF)c(C)c1S(=O)(=O)Cl	97965342	ZUGPXUMFYOZYBR-UHFFFAOYSA-N	240.687	1.397	70	40	BDIB	
COc1ccc([C@H](C)NC(=O)CC(=N)N)cc1	217754201	LUCYQUMMSILMAC-QMMMGPOBSA-N	235.287	1.198	70	40	BDIB	
CC(=O)Nc1cccc(S(=O)(=O)F)c1	104170861	ASGBQNKAOAEADT-UHFFFAOYSA-N	217.221	1.303	70	40	BDIB	
CCc1ccc(NC(=O)CC(=N)N)cc1	217743192	OKCJQSSARGOMBS-UHFFFAOYSA-N	205.261	1.514	70	40	BDIB	
O=S(=O)(Cl)c1ccccc1OCCF	103693232	NWYOJVRCVKWIKA-UHFFFAOYSA-N	238.667	1.962	70	40	BDIB	
O=S(=O)(Cl)c1c[nH]c2cnccc12	211393338	GGXMGMCVQBRKPC-UHFFFAOYSA-N	216.649	1.490	70	40	BDIB	
Cc1ncc(-c2nnc(C3CCNCC3)o2)cn1	216641051	DWHGNIXYQWKZST-UHFFFAOYSA-N	245.286	1.302	70	40	BDIB	
O=S(=O)(Cl)c1cccnc1CF	148500698	CCOSRDKGLPYOKJ-UHFFFAOYSA-N	209.629	1.479	70	40	BDIB	
CNC(=O)c1ccc2c(c1)CC[C@H](C)N2	217515459	GSZQCLWYTWHZAV-QMMMGPOBSA-N	204.273	1.793	70	40	BDIB	
N=C(N)CC(=O)Nc1cc(F)ccc1F	217755323	CDNJPZFHVQNRPR-UHFFFAOYSA-N	213.187	1.229	70	40	BDIB	
CC(C)Cn1cc(C2=NN=C(O)[C@@H]3C[C@H]23)cn1	217833308	BTIJETLPYSFUBQ-VHSXEESVSA-N	232.287	1.849	70	40	BDIB	
COc1c(F)cccc1S(=O)(=O)Cl	103624697	HNWSEIOPNICFIJ-UHFFFAOYSA-N	224.640	1.762	70	40	BDIB	in-vitro
COc1ccc(S(=O)(=O)F)cc1C	105396368	VKDGFRMWRZLHHY-UHFFFAOYSA-N	204.222	1.662	70	40	BDIB	
COCCOC(=O)Cc1ccc(C)cc1N	217776269	KTNLSJRLEGNSNB-UHFFFAOYSA-N	223.272	1.309	70	40	BDIB	
O=S(=O)(Cl)c1c(F)c(F)nc(F)c1F	104083214	IMIQQZRLTJZAHZ-UHFFFAOYSA-N	249.572	1.566	70	40	BDIB	
Cc1c(S(=O)(=O)Cl)cnn1CC(F)F	408717310	YGAJVOCRTNUJIB-UHFFFAOYSA-N	244.650	1.384	70	40	BDIB	
N=C(N)CC(=O)Nc1ccc(F)c(Cl)c1	217746221	RQOJWARBHLFTDP-UHFFFAOYSA-N	229.642	1.744	70	40	BDIB	
Cc1ccc(CC(=O)NC2CC2)c(N)c1	217779769	YARBTPNMWBVGPF-UHFFFAOYSA-N	204.273	1.398	70	40	BDIB	
Cc1cc(-c2ccc(S(=O)(=O)Cl)o2)[nH]n1	100104757	IVLAILPPMCZODK-UHFFFAOYSA-N	246.675	1.906	70	40	BDIB	
COc1ccc(S(=O)(=O)Cl)c(F)c1F	103624708	QHBRJPVAHORYOY-UHFFFAOYSA-N	242.630	1.901	70	40	BDIB	
Cc1ncncc1-c1nnc([C@@H]2CCCNC2)o1	216664688	RFFWUMMMJLAXQU-SECBINFHSA-N	245.286	1.302	70	40	BDIB	
CC[C@@H](C)n1ccc(S(=O)(=O)Cl)n1	100805351	NAHKSEOGKSNLJY-ZCFIWIBFSA-N	222.697	1.782	70	40	BDIB	
N=C(N)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1	217358526	QQXURUWZWNZAKE-JTQLQIEISA-N	249.289	1.614	70	40	BDIB	
O=S(=O)(Cl)c1c(Cl)ncnc1Cl	97945795	NEIUMSPCGPZYQT-UHFFFAOYSA-N	247.490	1.711	70	40	BDIB	
O=S(=O)(F)c1ccncc1Br	1536185815	HASYIRVLOUAZOM-UHFFFAOYSA-N	240.053	1.502	70	40	BDIB	
CN(C)C(=O)Cc1c(-c2ccccc2)n[nH]c1N	217815174	QNRWLYAJPKZHRK-UHFFFAOYSA-N	244.298	1.290	70	40	BDIB	
CO[C@H]1CCCC[C@H]1S(=O)(=O)Cl	88251070	SZSTYCAMYADOFB-NKWVEPMBSA-N	212.698	1.513	70	40	BDIB	
O=S(=O)(Br)CCc1ccccc1	103603632	HBNNIXWIWFGPBX-UHFFFAOYSA-N	249.129	1.954	70	40	BDIB	
CN[C@H](NC(=O)c1ccccc1)C(Cl)Cl	3012315	KXWSZNFPPBVFHH-SECBINFHSA-N	247.125	1.766	70	40	BDIB	
Cc1ncc(-c2nnc([C@H]3CCCNC3)o2)cn1	216664298	GFEAMBLDSQNGBB-VIFPVBQESA-N	245.286	1.302	70	40	BDIB	
CC(=O)NC[C@@H]1CCCN1c1nccs1	217721139	RGYFAWKMJMNOGQ-VIFPVBQESA-N	225.317	1.248	70	40	BDIB	
Cc1csc(C(=O)N2CC(n3ccnn3)C2)c1	217712827	DYYDTLREVOAQLP-UHFFFAOYSA-N	248.311	1.345	70	40	BDIB	
O=C(NC1CC1)c1cccc2c1CCN2	217518557	QBTJXNHPQJITDL-UHFFFAOYSA-N	202.257	1.547	70	40	BDIB	
O=C(Cl)c1ccc(S(=O)(=O)Cl)cc1	100288442	JYJUMAFOXPQPAU-UHFFFAOYSA-N	239.079	1.993	70	40	BDIB	
CCN(CC)C(=O)Cc1cc(C)ccc1N	217783404	UWTUYPBTMSGMOW-UHFFFAOYSA-N	220.316	1.988	70	40	BDIB	
[N-]=[N+]=NC(=O)c1cnn(-c2ccccc2)c1N	5759546	ZDHHFWHKHVRYKU-UHFFFAOYSA-N	228.215	1.905	70	40	BDIB	
CN1CCC(CC(=O)Nc2cccnc2)CC1	216893221	GAOBVJVRRUTSRQ-UHFFFAOYSA-N	233.315	1.752	70	40	BDIB	
Cc1ccc(N)c(CC(=O)NC[C@@H]2CCCO2)c1	217786548	MZDWRMCRQRRBFR-LBPRGKRZSA-N	248.326	1.415	70	40	BDIB	
CCc1ccc(S(=O)(=O)Cl)cc1C(=O)O	100455876	GEJTWXRDNUSXJY-UHFFFAOYSA-N	248.687	1.875	70	40	BDIB	
COc1ccc(NC(=O)CC(=N)N)cc1Cl	217748370	ZJPYNUUCBGVQQV-UHFFFAOYSA-N	241.678	1.613	70	40	BDIB	
CC(=O)NCCn1ccc(-c2ccsc2)n1	217883466	ZXTDWCDMONVWSL-UHFFFAOYSA-N	235.312	1.748	70	40	BDIB	
Cn1nc(C(F)(F)F)cc1S(=O)(=O)Cl	100804845	MORWFSVOFMNQDO-UHFFFAOYSA-N	248.613	1.366	70	40	BDIB	
O=S(=O)(Cl)N1CC[C@H]2CCCC[C@@H]2C1	101273206	UXYLNEDQPMFVRY-RKDXNWHRSA-N	237.752	1.982	70	40	BDIB	
CC(=O)N1CCC[C@H](Cc2nc(C3CC3)no2)C1	217806828	RZTIRQLSQZDIEU-SNVBAGLBSA-N	249.314	1.748	70	40	BDIB	
Cc1ccc(NC(=O)CC(=N)N)cc1Cl	217744958	IHYUWWOVBKPWNV-UHFFFAOYSA-N	225.679	1.913	70	40	BDIB	
CC(C)=C[SiH2][Sn](C)(C)C	585658257	VUAQGHVRKZNJKI-UHFFFAOYSA-N	249.018	1.914	70	40	BDIB	
CCn1cc(C2=NN=C(O)[C@@H]3C[C@H]23)cn1	217832585	ITQJIBNGQATVDI-JGVFFNPUSA-N	204.233	1.213	70	40	BDIB	
Cc1oc(C)c(S(=O)(=O)Cl)c1C(=O)O	100585403	HQGKSNBJJARVOL-UHFFFAOYSA-N	238.648	1.522	70	40	BDIB	in-vitro
Cc1nn(C)c2ncc(S(=O)(=O)Cl)cc12	100609756	MOLOPKIPWIMCPZ-UHFFFAOYSA-N	245.691	1.204	70	40	BDIB	in-vitro
O=S(=O)(F)c1ccncc1C(F)(F)F	1536209113	PMRKMORROGRWNE-UHFFFAOYSA-N	229.154	1.759	70	40	BDIB	
CC(C)(C)OC(=O)NCCS(=O)(=O)Cl	100099345	PCEAZBVTZGTIEC-UHFFFAOYSA-N	243.712	1.080	70	40	BDIB	
COC[C@@H](C)OC(=O)Cc1cc(C)ccc1N	217782214	NAZNPQPVYFRQLJ-SNVBAGLBSA-N	237.299	1.698	70	40	BDIB	
FC(F)Oc1cncc([B-](F)(F)F)c1	203524415	HZONOGRYVMNLTL-UHFFFAOYSA-N	211.906	1.737	70	40	BDIB	
CCOC(=O)c1ccc(S(=O)(=O)Cl)o1	100572818	JBVARSZSFYYPBK-UHFFFAOYSA-N	238.648	1.384	70	40	BDIB	
N#CCCOc1ccc(S(=O)(=O)Cl)cc1	95698235	YYGOSKGTMMGUEV-UHFFFAOYSA-N	245.687	1.907	70	40	BDIB	
O=S(=O)(Cl)c1cc(F)nc(F)c1	104541339	HWTVDKCWNFMXAH-UHFFFAOYSA-N	213.592	1.287	70	40	BDIB	
CC[C@H](C)COS(=O)(=O)C(F)(F)F	110753597	AUASHVSBCKBGSW-YFKPBYRVSA-N	220.212	1.899	70	40	BDIB	
NC(=S)[C@H]1C[C@H]1S(=O)(=O)c1ccccc1	217983546	DZHJYHADSUKCJF-DTWKUNHWSA-N	241.337	1.135	70	40	BDIB	
O=S(=O)(Cl)CCc1cccnc1	103719174	MQEDNMBQDSRIEM-UHFFFAOYSA-N	205.666	1.193	70	40	BDIB	
Cc1ccc(CC(=O)NC(C)C)c(N)c1	217777110	JKNDTQWPRWZZDU-UHFFFAOYSA-N	206.289	1.644	70	40	BDIB	
O=S(=O)(Cl)c1c[nH]nc1C(F)(F)F	97952706	YONJQBMSXDSBQL-UHFFFAOYSA-N	234.586	1.356	70	40	BDIB	in-vitro
O=S(=O)(Cl)c1ccc(CF)nc1	257198179	VHZFRGVZBRUEDR-UHFFFAOYSA-N	209.629	1.479	70	40	BDIB	
Cc1ccc(CC(=O)NCC2CC2)c(N)c1	217780664	ZSKAOVXQKRTLAV-UHFFFAOYSA-N	218.300	1.646	70	40	BDIB	
Cc1ccc(S(=O)(=O)Cl)c([N+](=O)[O-])c1	98049042	HEVNLMSJUFKWBS-UHFFFAOYSA-N	235.648	1.831	70	40	BDIB	
CN1C=CNc2c1cccc2S(=O)(=O)Cl	1569975878	CSKLFJGDBMQKLI-UHFFFAOYSA-N	244.703	1.947	70	40	BDIB	
COc1cc(S(=O)(=O)Cl)ccc1C#N	104534090	QRQMEWAVZDPMGX-UHFFFAOYSA-N	231.660	1.494	70	40	BDIB	
O=C(c1ccncc1F)N1CCCOCC1	161402178	YKSLMWZNNJCMOX-UHFFFAOYSA-N	224.235	1.083	70	40	BDIB	
O=S(=O)(Cl)c1ccc(Cl)nn1	104845017	BYQJSWOXKAYRNR-UHFFFAOYSA-N	213.045	1.058	70	40	BDIB	
O=S(=O)(Cl)c1cc(Cl)ccc1O	104158672	ZFZMINYPHAEJGW-UHFFFAOYSA-N	227.068	1.973	70	40	BDIB	in-vitro
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)F	100171634	DVIHYWIICFLCGC-UHFFFAOYSA-N	219.193	1.561	70	40	BDIB	
Cc1cc(CO)c(C)n1C[C@H]1CCCO1	161236701	XLAOBJSRHCQPLM-GFCCVEGCSA-N	209.289	1.776	70	40	BDIB	
O=S(=O)(Cl)c1c[nH]nc1C(F)F	408717198	WUUJCIDGGHTSSK-UHFFFAOYSA-N	216.596	1.275	70	40	BDIB	
Cc1cc(OCC(=N)N)ccc1NC(=O)C1CC1	217372359	OEFLFUKRRMNCDN-UHFFFAOYSA-N	247.298	1.658	70	40	BDIB	
CC(C)c1oncc1S(=O)(=O)Cl	97952695	JFSGXMNKSBJYGP-UHFFFAOYSA-N	209.654	1.726	70	40	BDIB	
COc1cc(S(=O)(=O)Cl)cnc1Cl	97971573	CZEMPZCDNBZFKG-UHFFFAOYSA-N	242.083	1.671	70	40	BDIB	
O=S(=O)(Cl)[C@@H]1COc2ccccc2O1	100013263	FMNDWYNJYVQVRE-MRVPVSSYSA-N	234.660	1.353	70	40	BDIB	
COc1cccc(S(=O)(=O)Cl)c1C#N	104547634	INIZURSCBCOGKP-UHFFFAOYSA-N	231.660	1.494	70	40	BDIB	
CC(=O)Nc1cnn(CC2CCOCC2)c1	218203012	SNAWTVAYRDXCFK-UHFFFAOYSA-N	223.276	1.268	70	40	BDIB	
COCCOC(=O)Cc1cc(C)ccc1N	217782535	FMXIPFAHWZHMJB-UHFFFAOYSA-N	223.272	1.309	70	40	BDIB	
Cc1cn(CCCS(=O)(=O)Cl)cn1	110752709	OBSGOVFDRJSTSF-UHFFFAOYSA-N	222.697	1.150	70	40	BDIB	
CC(C)(C)c1oncc1S(=O)(=O)Cl	97952704	WGBQFLNAFBXDNI-UHFFFAOYSA-N	223.681	1.900	70	40	BDIB	
O=S(=O)(Cl)c1ccc2c(c1)CCCO2	100025309	YWWYZRQBPOAOMS-UHFFFAOYSA-N	232.688	1.939	70	40	BDIB	
Cc1cc(C)c(S(=O)(=O)Cl)cn1	103533215	QYGZYSGLAPPZMT-UHFFFAOYSA-N	205.666	1.626	70	40	BDIB	
O=S(=O)(Cl)c1c[nH]c(C(F)(F)F)c1	100548740	CTQQTTGHSLGKOX-UHFFFAOYSA-N	233.598	1.961	70	40	BDIB	
COC(=O)c1ccc(S(=O)(=O)Cl)cc1C	100640054	XXMZPBHQQDGHAB-UHFFFAOYSA-N	248.687	1.709	70	40	BDIB	in-vitro
COC(=O)Nc1ccc(S(=O)(=O)F)cc1	95663299	ZTADJGCYQQZJSI-UHFFFAOYSA-N	233.220	1.523	70	40	BDIB	
Cc1ccc(OCC(=N)N)c(NC(=O)C(C)C)c1	217373478	PCDKWFBLPRJNKT-UHFFFAOYSA-N	249.314	1.904	70	40	BDIB	
Cc1ccc(N)c(CC(=O)NC(C)C)c1	217783529	ZBXFFISETYVFQY-UHFFFAOYSA-N	206.289	1.644	70	40	BDIB	
Cc1cc(S(=O)(=O)Cl)cnc1F	1554770399	DVQSVJXHPMMSEJ-UHFFFAOYSA-N	209.629	1.457	70	40	BDIB	
CC(=O)c1ccc(F)c(S(=O)(=O)Cl)c1	104190533	HVMVYNHFPJHPQD-UHFFFAOYSA-N	236.651	1.956	70	40	BDIB	
CCc1ccccc1NC(=O)c1cc(=O)nc[nH]1	217793494	QKQXMEWKITXVIE-UHFFFAOYSA-N	243.266	1.585	70	40	BDIB	
CS(=O)(=O)c1ccc([B-](F)(F)F)cc1F	238386287	XAMFRBYVEYPIFG-UHFFFAOYSA-N	240.994	1.284	70	40	BDIB	
Cc1cc(CS(=O)(=O)F)ccc1[N+](=O)[O-]	1536185741	CTXAUWZVQQUSAE-UHFFFAOYSA-N	233.220	1.703	70	40	BDIB	
O=S(=O)(Cl)c1cnn(CC(F)F)c1	100502784	CRQMKTOAMCCPJH-UHFFFAOYSA-N	230.623	1.076	70	40	BDIB	in-vitro
COC(=O)Cc1ccc(S(=O)(=O)Cl)cc1	100631366	MFNAEDWMLRNDKH-UHFFFAOYSA-N	248.687	1.330	70	40	BDIB	
F[B-](F)(F)c1cncc(Br)c1	198309598	CLNHRPIIRRCPKY-UHFFFAOYSA-N	224.796	1.899	70	40	BDIB	
CCCn1ncc(S(=O)(=O)Cl)c1C	100491308	LBMWCTHACQWAAI-UHFFFAOYSA-N	222.697	1.529	70	40	BDIB	
Nc1ncc(Cl)cc1S(=O)(=O)Cl	100221654	DMEATHTWRKQAJZ-UHFFFAOYSA-N	227.072	1.245	70	40	BDIB	in-vitro
CCOC(=O)c1ncc(C(F)(F)F)cn1	218730662	HTIPMKIBUMUXIQ-UHFFFAOYSA-N	220.150	1.672	70	40	BDIB	
Cc1cccc(NC(=O)c2cc(=O)nc[nH]2)c1	217793594	WWKJCUJCQDMTHV-UHFFFAOYSA-N	229.239	1.331	70	40	BDIB	
Cc1ccc(B(O)OCC(C)(C)C)cc1	169954786	VKHCYLVRGBKLAH-UHFFFAOYSA-N	206.094	1.745	70	40	BDIB	
COc1cc(S(=O)(=O)Cl)ccc1C	103604331	WANDMOOEYBNNME-UHFFFAOYSA-N	220.677	1.931	70	40	BDIB	
COc1ccc(F)cc1S(=O)(=O)F	105398567	HQISYNJEFOWJOY-UHFFFAOYSA-N	208.185	1.493	70	40	BDIB	
CC(C)n1cc(C2=NN=C(O)[C@H]3C[C@@H]23)cn1	217832856	UYJBWSWEQYCROL-BDAKNGLRSA-N	218.260	1.774	70	40	BDIB	
O=S(=O)(Cl)c1cccc2c1OCC2	59637517	UNECAYDZDLGSLP-UHFFFAOYSA-N	218.661	1.549	70	40	BDIB	in-vitro
CCc1ncnc(Nc2cnn(C)c2)c1F	217981210	XTGBXXYYKLYFLV-UHFFFAOYSA-N	221.239	1.655	70	40	BDIB	
CCc1nnc2sc(-n3nc(C)cc3C)nn12	216755984	VKYVBNIEGMALRA-UHFFFAOYSA-N	248.315	1.551	70	40	BDIB	
O=S(=O)(Cl)C[C@H](Cl)CCl	104536264	QVMRBEYLBVVAJW-GSVOUGTGSA-N	211.497	1.401	70	40	BDIB	
COc1ccc(C)cc1S(=O)(=O)F	105396372	XXLOUTRUKDULKG-UHFFFAOYSA-N	204.222	1.662	70	40	BDIB	
Cc1c(S(=O)(=O)Cl)cnn1C(F)F	100066406	UDAPEXYRSBGGGB-UHFFFAOYSA-N	230.623	1.514	70	40	BDIB	
CCc1cc(O)nc(C2(COC)CC2)n1	217796927	GGFXWTHZBOKARV-UHFFFAOYSA-N	208.261	1.423	70	40	BDIB	
CO[C@@H]1CCCC[C@@H]1S(=O)(=O)Cl	88251064	SZSTYCAMYADOFB-RQJHMYQMSA-N	212.698	1.513	70	40	BDIB	
CC(=O)Nc1nc(S(=O)(=O)Cl)cs1	113942507	RICBXZBQWLWOFU-UHFFFAOYSA-N	240.693	1.029	70	40	BDIB	in-vitro
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Cl)c1	100249146	NASIURWVNGTWSQ-UHFFFAOYSA-N	235.648	1.831	70	40	BDIB	
NC(=S)[C@H]1C[C@@H]1S(=O)(=O)c1ccccc1	217983378	DZHJYHADSUKCJF-IUCAKERBSA-N	241.337	1.135	70	40	BDIB	
COCCCc1cc(O)nc(-c2cnn(C)c2)n1	217789499	NLTVJIHAGCKDRG-UHFFFAOYSA-N	248.286	1.162	70	40	BDIB	
CCOCC1(c2nc(O)cc(CC)n2)CC1	217797031	YZUMUMGDRSVOCT-UHFFFAOYSA-N	222.288	1.813	70	40	BDIB	
C[C@@H]1CN(CCOC(=O)N(C)C)C(C)(C)CO1	160252311	SYWKBMZZNCWIDO-SNVBAGLBSA-N	244.335	1.184	70	40	BDIB	
O=C1OCCN1c1ccc(S(=O)(=O)F)cc1	101453598	YQXJHNHJLCWOAC-UHFFFAOYSA-N	245.231	1.301	70	40	BDIB	
COCOc1cccc([B-](F)(F)F)c1	203501421	YLOYQXSLILYBHP-UHFFFAOYSA-N	204.964	1.724	70	40	BDIB	
Cc1c(S(=O)(=O)Cl)c(C(F)F)nn1C	408715801	DXCMWSFFAIYULC-UHFFFAOYSA-N	244.650	1.594	70	40	BDIB	
CC(C)(C)OC(=O)NCc1ccc[nH]c1=O	218190816	JQGJNWSDNBXFRE-UHFFFAOYSA-N	224.260	1.400	70	40	BDIB	
Cc1c(CS(=O)(=O)Cl)cccc1[N+](=O)[O-]	59295611	IUCXOBDPTTZMHZ-UHFFFAOYSA-N	249.675	1.972	70	40	BDIB	
Cc1ccc(S(=O)(=O)Cl)c(Cl)n1	100221669	XFQBLBYYFLUHGZ-UHFFFAOYSA-N	226.084	1.971	70	40	BDIB	in-vitro
COC(=O)c1ccccc1CS(=O)(=O)Cl	100605186	DZNIVKJHYLMSST-UHFFFAOYSA-N	248.687	1.542	70	40	BDIB	in-vitro
CO[C@@H]1CCCC[C@H]1S(=O)(=O)Cl	88251068	SZSTYCAMYADOFB-RNFRBKRXSA-N	212.698	1.513	70	40	BDIB	
N#Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Cl	59222001	NAWVUPGDAJHBOX-UHFFFAOYSA-N	246.631	1.394	70	40	BDIB	in-vitro
O=COc1c(F)c(F)c(F)c(F)c1F	113726545	NOQPJZHAGRHCFW-UHFFFAOYSA-N	212.073	1.917	70	40	BDIB	
O=S(=O)(Cl)CCCN1CCCCC1	101780808	FTXNAXDRQIMOKS-UHFFFAOYSA-N	225.741	1.431	70	40	BDIB	
CC1(c2ccc(S(=O)(=O)F)cc2)OCCO1	97971576	LYFYUDQLBCNNLE-UHFFFAOYSA-N	246.259	1.564	70	40	BDIB	
O=S(=O)(Cl)[C@H]1COc2ccccc2O1	100013261	FMNDWYNJYVQVRE-QMMMGPOBSA-N	234.660	1.353	70	40	BDIB	
Cc1cc(C)c2c(S(=O)(=O)Cl)n[nH]c2n1	98009048	LLBLPNMGLNTMJX-UHFFFAOYSA-N	245.691	1.502	70	40	BDIB	
COc1ccccc1CN(C)S(=O)(=O)Cl	104738096	BPKHCRINUGEUQG-UHFFFAOYSA-N	249.719	1.611	70	40	BDIB	
COC(=O)c1cccc(CS(=O)(=O)Cl)c1	100391944	QFJXEOZOBANBNV-UHFFFAOYSA-N	248.687	1.542	70	40	BDIB	
O=S(=O)(Cl)c1n[nH]c(-c2ccccc2)n1	100187524	OMOKWPFLGIHCAI-UHFFFAOYSA-N	243.675	1.399	70	40	BDIB	
N=C(N)[C@@H]1CCCN(C(=O)c2ccccc2)C1	217357878	WIALZDYRXIDBJM-LLVKDONJSA-N	231.299	1.475	70	40	BDIB	
CCCNC(=O)Cc1cc(C)ccc1N	217783320	MKXYITXHTOUFLP-UHFFFAOYSA-N	206.289	1.646	70	40	BDIB	
CCn1nc(S(=O)(=O)Cl)cc1C	100805342	MORVUACCUBOMIB-UHFFFAOYSA-N	208.670	1.139	70	40	BDIB	
Cc1ccc(OCC(=N)N)c(NC(=O)C2CC2)c1	217373792	QXGJRMOWVAWJHS-UHFFFAOYSA-N	247.298	1.658	70	40	BDIB	
CCCn1nc(C)cc1S(=O)(=O)Cl	100804780	RQDUUPGOARPRBB-UHFFFAOYSA-N	222.697	1.529	70	40	BDIB	
CCC(C)(C)NC(=O)[C@H]1CCCN(C)C1	216917615	IVQXOYUZGMIQMC-JTQLQIEISA-N	212.337	1.633	70	40	BDIB	
O=C(O)Cc1cccc(S(=O)(=O)Cl)c1	103633073	OYDTZBTZXLNXOQ-UHFFFAOYSA-N	234.660	1.241	70	40	BDIB	in-vitro
CC[C@@H](C)Oc1ccc(C(N)=O)cc1OC	216882453	LLVDWQIJDPRSKT-MRVPVSSYSA-N	223.272	1.971	70	40	BDIB	
C[C@@H](c1ccccn1)S(=O)(=O)Cl	100247510	FJUVAFICNGTQEW-LURJTMIESA-N	205.666	1.711	70	40	BDIB	
O=C(c1ccoc1)N1CCc2oncc2C1	217693644	ZKVBIEKYTVBKMF-UHFFFAOYSA-N	218.212	1.466	70	40	BDIB	
Cc1sc(S(=O)(=O)Cl)cc1[N+](=O)[O-]	100630423	BWPJUUORYGNWKW-UHFFFAOYSA-N	241.677	1.892	70	40	BDIB	
N=C(N)CC(=O)Nc1ccccc1C(F)(F)F	217746322	QHKBXWFPARHPMD-UHFFFAOYSA-N	245.204	1.970	70	40	BDIB	
Cc1ccc(S(=O)(=O)Cl)c(C#N)c1	104534202	QBINCWCUKSGTNZ-UHFFFAOYSA-N	215.661	1.794	70	40	BDIB	
O=S(=O)(F)c1ccc2nc[nH]c2c1	1536178863	ZIJUHTRWDHIHSC-UHFFFAOYSA-N	200.194	1.221	70	40	BDIB	
O=S(=O)(OCCCCl)C(F)(F)F	136795467	IPSFHFDFHFCBCD-UHFFFAOYSA-N	226.603	1.482	70	40	BDIB	
CNC(=O)c1cc(N)ccc1N1CCCC1	217678798	PHRORYKKWFICQV-UHFFFAOYSA-N	219.288	1.229	70	40	BDIB	
CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)F)C(=O)C2	100098375	WIVCVRYYFCZLCO-OIBJUYFYSA-N	234.292	1.681	70	40	BDIB	in-vitro
CC(C)c1cc(=O)n(Cc2nccn2C)cn1	160744534	RASRUEBAZLQKQQ-UHFFFAOYSA-N	232.287	1.149	70	40	BDIB	
Cc1cc(NC(=O)[C@@H]2CCCCO2)sn1	159884755	HTOALDLHDXSGQM-QMMMGPOBSA-N	226.301	1.959	70	40	BDIB	
O=C(CS(=O)(=O)Cl)c1ccccc1F	217516667	CMKKPNIRRLGPTQ-UHFFFAOYSA-N	236.651	1.577	70	40	BDIB	
CC(C)n1cc(C2=NN=C(O)[C@@H]3C[C@H]23)cn1	217832930	UYJBWSWEQYCROL-DTWKUNHWSA-N	218.260	1.774	70	40	BDIB	
Cc1ccc(C(=O)N2CCC(C(=N)N)CC2)cc1	217356055	OVHOVGWFHWHKMA-UHFFFAOYSA-N	245.326	1.783	70	40	BDIB	
COc1cccc(F)c1S(=O)(=O)Cl	103624624	XJAVLIIXUXQDBO-UHFFFAOYSA-N	224.640	1.762	70	40	BDIB	in-vitro
CC(=O)NCCn1ccnc1-c1ccccn1	217857561	XQQICSBBROLZSY-UHFFFAOYSA-N	230.271	1.081	70	40	BDIB	
CC(C)COS(=O)(=O)C(F)(F)F	59201165	PNMMBTNXJSMDJJ-UHFFFAOYSA-N	206.185	1.509	70	40	BDIB	
CC(C)(C)Nc1ncnc2nccnc12	217469634	DAKORCQDLAIKSP-UHFFFAOYSA-N	203.249	1.630	70	40	BDIB	
CC(C)(C)c1n[nH]c(S(=O)(=O)Cl)n1	82226574	GEXZYDSRMARZCN-UHFFFAOYSA-N	223.685	1.030	70	40	BDIB	
COc1ccc2ccc(OC)c(C(N)=O)c2c1	216825603	OQTMTFUQHZYTPV-UHFFFAOYSA-N	231.251	1.956	70	40	BDIB	
CCOC(=O)c1nn(C)c(O)c1-c1ccccc1	218296724	ZVDADSRTXLZHHD-UHFFFAOYSA-N	246.266	1.969	70	40	BDIB	
O=S(=O)(F)c1ccc(C(F)(F)F)nn1	536948714	MCYJCGSPBOJHBF-UHFFFAOYSA-N	230.142	1.154	70	40	BDIB	
O=S(=O)(F)c1cccnc1C(F)(F)F	675064900	VELGPLOITQWLST-UHFFFAOYSA-N	229.154	1.759	70	40	BDIB	
Cn1c(S(=O)(=O)Cl)cnc1Cl	100445202	GIWODFAWCYMEFL-UHFFFAOYSA-N	215.061	1.001	70	40	BDIB	
O=S(=O)(Cl)CCOC(F)(F)F	59530764	QAMHFLCOBQQOIE-UHFFFAOYSA-N	212.576	1.091	70	40	BDIB	in-vitro
CCN(Cc1ccc(OC)nc1)C(C)(C)CO	159724056	BYSXXJNKJLIPRH-UHFFFAOYSA-N	238.331	1.683	70	40	BDIB	
Cc1ccc(CC(=O)NC[C@@H]2CCCO2)c(N)c1	217780098	XBYVGHYQEOVMDY-LBPRGKRZSA-N	248.326	1.415	70	40	BDIB	
O=C(O)c1ccc(S(=O)(=O)Cl)c(F)c1	100649104	BFEPIUXQMZTCQM-UHFFFAOYSA-N	238.623	1.451	70	40	BDIB	
CN(C(=O)C(F)(F)F)c1ccc2c(c1)OCO2	216874093	VHOHJBAFYQRXLC-UHFFFAOYSA-N	247.172	1.940	70	40	BDIB	
CC[C@@H](C)COS(=O)(=O)C(F)(F)F	110753599	AUASHVSBCKBGSW-RXMQYKEDSA-N	220.212	1.899	70	40	BDIB	
CCCn1c(C)nnc1CN(C)c1cnn(C)c1	160508013	DYHSBZXFXRKJGI-UHFFFAOYSA-N	248.334	1.366	70	40	BDIB	
CC(=O)N(C)c1ccc(S(=O)(=O)Cl)cc1	100223524	FJXBSNLZPGJSAT-UHFFFAOYSA-N	247.703	1.597	70	40	BDIB	
COC(C)(C)CCS(=O)(=O)Cl	100547253	XFFAUMWZJRYZKG-UHFFFAOYSA-N	200.687	1.370	70	40	BDIB	in-vitro
CCc1ncnc(NC2CCN(C)CC2)c1F	217960111	GYOWYIJYOWFFGR-UHFFFAOYSA-N	238.310	1.684	70	40	BDIB	
Cc1cc(S(=O)(=O)Cl)cc2c1NC(=O)C2	110768774	AOLRUAVJJMTNMN-UHFFFAOYSA-N	245.687	1.417	70	40	BDIB	
O=S(=O)(Cl)Cc1nc2ccccc2o1	103694290	ZTVJEUHWCUCFJE-UHFFFAOYSA-N	231.660	1.896	70	40	BDIB	
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)F	100249396	FMBXHVTUQCREBT-UHFFFAOYSA-N	219.193	1.561	70	40	BDIB	
O=S(=O)(Cl)c1cnoc1-c1cccnc1	97952703	VGTQWNBLQPRWBH-UHFFFAOYSA-N	244.659	1.664	70	40	BDIB	
CCOC(=O)[C@@H](C(C)C)S(=O)(=O)Cl	104549694	BYLWQKXZQWIBFA-ZCFIWIBFSA-N	228.697	1.143	70	40	BDIB	
Nc1ccc(F)c(CS(=O)(=O)F)c1	536954483	QAMNLARHIBLWMU-UHFFFAOYSA-N	207.201	1.207	70	40	BDIB	in-vitro
Cn1ncc(S(=O)(=O)Cl)c1C(F)F	408716201	JYRQCHIOKURMSJ-UHFFFAOYSA-N	230.623	1.285	70	40	BDIB	
c1ccc([B-]2(c3ccccc3)NCCCO2)cc1	170186701	KYILOHWHNSVLQE-UHFFFAOYSA-N	238.119	1.253	70	40	BDIB	
O=S(=O)(F)[C@H]1CCN(Cc2ccccc2)C1	100585940	KCLJEZPHJZQPIW-NSHDSACASA-N	243.303	1.560	70	40	BDIB	in-vitro
Cc1nc(-c2ccc(S(=O)(=O)Cl)o2)no1	100004414	KEWQPQYKSMTCPR-UHFFFAOYSA-N	248.647	1.566	70	40	BDIB	
CCOc1ccc(NC(=O)CC(=N)N)cc1	217747248	MJWFSNDZGPBFDO-UHFFFAOYSA-N	221.260	1.350	70	40	BDIB	
CCC(=O)Nc1ccccc1OCC(=N)N	217370394	ORSATYVTBZUEPR-UHFFFAOYSA-N	221.260	1.350	70	40	BDIB	
Cc1ccc(Cn2cc(C3OCCO3)nn2)cc1	216748094	GTUKYMFJXRUODI-UHFFFAOYSA-N	245.282	1.680	70	40	BDIB	
COC(=O)c1cc(S(=O)(=O)Cl)cs1	100622214	RONRQCJBNJJOIJ-UHFFFAOYSA-N	240.689	1.462	70	40	BDIB	
O=S(=O)(Oc1ncccc1F)C(F)(F)F	100016045	OHFMPICYRTVTNH-UHFFFAOYSA-N	245.153	1.449	70	40	BDIB	
O=C(O)/C=C\c1ccc(S(=O)(=O)F)cc1	104087299	KGSYLAOACYAPDO-UTCJRWHESA-N	230.216	1.443	70	40	BDIB	
COC(=O)c1scnc1C(F)(F)F	217470073	OGPSQIBKDCMETF-UHFFFAOYSA-N	211.164	1.949	70	40	BDIB	
O=S(=O)(F)O[C@@H](C(F)F)C(F)(F)F	100045828	HMFXCJZFHUKHTL-SFOWXEAESA-N	232.101	1.413	70	40	BDIB	
CCOC(=O)c1ccc(S(=O)(=O)Cl)nc1	101378392	PYMLHZULTGSUGQ-UHFFFAOYSA-N	249.675	1.186	70	40	BDIB	
C[C@@H](NC(=O)CC(=N)N)c1ccccc1	217740952	XYTCSTTXYXLFEP-MRVPVSSYSA-N	205.261	1.190	70	40	BDIB	
COc1ccc(S(=O)(=O)Cl)c(Cl)n1	100224523	LPPWUEOVWSLMTH-UHFFFAOYSA-N	242.083	1.671	70	40	BDIB	
O=S(=O)(Cl)OCC(Cl)(Cl)Cl	72400651	MFQWRQASGSRKAJ-UHFFFAOYSA-N	247.914	1.857	70	40	BDIB	in-vitro
O=S(=O)(OC[C@@H]1CC1(F)F)C(F)(F)F	110753693	XTTREKYRKRNVLV-VKHMYHEASA-N	240.149	1.508	70	40	BDIB	
COC(=O)c1ccccc1S(=O)(=O)F	108675579	LLQSKDZICCVCEB-UHFFFAOYSA-N	218.205	1.131	70	40	BDIB	
CC(=O)Nc1ccc(OCC(=N)N)cc1C	217371419	FLIQERRLUMYGNH-UHFFFAOYSA-N	221.260	1.268	70	40	BDIB	
O=S(=O)(Cl)c1cc(Cl)ccn1	103593954	WMGWDIFEYNPWAK-UHFFFAOYSA-N	212.057	1.663	70	40	BDIB	
COc1cccc(S(=O)(=O)Cl)c1O	104539735	LHCCQNVETRIMJU-UHFFFAOYSA-N	222.649	1.328	70	40	BDIB	
O=S(=O)(F)c1ccnc(CCl)c1	1535645830	DQDBILWHTIXKCC-UHFFFAOYSA-N	209.629	1.479	70	40	BDIB	
O=S(=O)(Cl)c1ccnn1C1CCCC1	100804777	VLHIGJZUQAGHLT-UHFFFAOYSA-N	234.708	1.926	70	40	BDIB	
CC(C)Cn1cc(S(=O)(=O)Cl)cn1	59211816	ZUUQAAYNIIUCBB-UHFFFAOYSA-N	222.697	1.467	70	40	BDIB	
Nc1nnn(-c2ccccc2)c1C(F)(F)F	218676129	CIRPOOWQZBSMNQ-UHFFFAOYSA-N	228.177	1.868	70	40	BDIB	
CC(C)NC(=O)c1cccc2c1CCN2	217518449	VLIDSSXTBORQSR-UHFFFAOYSA-N	204.273	1.793	70	40	BDIB	
CC(C)Oc1ncccc1[B-](F)(F)F	238166873	FKHFXCQYKUJILX-UHFFFAOYSA-N	203.980	1.923	70	40	BDIB	
CC(C)CCOS(=O)(=O)C(F)(F)F	110753593	AVQPKFFKNUZVPK-UHFFFAOYSA-N	220.212	1.899	70	40	BDIB	
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Cl	100583428	DKFATVSJDGJDQW-UHFFFAOYSA-N	239.611	1.661	70	40	BDIB	in-vitro
CCN(CC)CCCS(=O)(=O)Cl	101780801	ALHSYUOMAMJCHH-UHFFFAOYSA-N	213.730	1.287	70	40	BDIB	
Cc1cccc(C(=O)CS(=O)(=O)Cl)c1	217517152	ORNMYZZUNXERNS-UHFFFAOYSA-N	232.688	1.746	70	40	BDIB	
O=S(=O)(F)c1ncc(Cl)cc1F	97972425	YNWZYTAOXBOFTA-UHFFFAOYSA-N	213.592	1.532	70	40	BDIB	
COc1ccccc1[C@@H](C)NC(=O)CC(=N)N	217754487	ZROZXFUVAZRWRX-MRVPVSSYSA-N	235.287	1.198	70	40	BDIB	
CCC(=O)Nc1ccc(OCC(=N)N)cc1C	217371929	LPEZVJKIUKXRQM-UHFFFAOYSA-N	235.287	1.658	70	40	BDIB	
O=S(=O)(OC1=CCCC1)C(F)(F)F	100542038	HAAOHBCJARVREN-UHFFFAOYSA-N	216.180	1.920	70	40	BDIB	in-vitro
O=S(=O)(Cl)N1CC[C@@H]2CCCC[C@H]2C1	100642046	UXYLNEDQPMFVRY-IUCAKERBSA-N	237.752	1.982	70	40	BDIB	
Cc1ccccc1C(=O)N1CCC[C@H](C(=N)N)C1	217358346	TWBYSWQGGBVHRP-NSHDSACASA-N	245.326	1.783	70	40	BDIB	
COc1ccc(S(=O)(=O)Cl)nc1	101779598	QMQIGRMQXRYLQV-UHFFFAOYSA-N	207.638	1.018	70	40	BDIB	
CCCn1nccc1CS(=O)(=O)Cl	110765104	QZBVIVILFXEGFK-UHFFFAOYSA-N	222.697	1.362	70	40	BDIB	
COC(=O)c1cccc(S(=O)(=O)Cl)c1C	100626054	OJWRMHUELXMWLU-UHFFFAOYSA-N	248.687	1.709	70	40	BDIB	
CCC[C@H](C)NC(=O)[C@H]1CCCN(C)C1	216908930	CPUMRFUYCXVDDT-QWRGUYRKSA-N	212.337	1.633	70	40	BDIB	
C[C@H](NC(=O)CC(=N)N)c1ccccc1	217741063	XYTCSTTXYXLFEP-QMMMGPOBSA-N	205.261	1.190	70	40	BDIB	
O=S(=O)(F)CCNc1ccc(F)cc1	102133884	BMROFOAXGFQBOO-UHFFFAOYSA-N	221.228	1.537	70	40	BDIB	
CCOc1ccc(S(=O)(=O)F)cc1	105396374	NZUVUODHVGFJCE-UHFFFAOYSA-N	204.222	1.744	70	40	BDIB	in-vitro
C[C@H](NC(=O)CC(=N)N)c1ccc(F)cc1	217755838	WGLBLWUTOLKVRK-ZETCQYMHSA-N	223.251	1.329	70	40	BDIB	
CN1CCC[C@H](C(=O)N2CCCC(C)(C)C2)C1	216913941	OHENXTLOEGATGV-LBPRGKRZSA-N	238.375	1.977	70	40	BDIB	
CN[C@@H](NC(=O)c1ccccc1)C(Cl)Cl	3012317	KXWSZNFPPBVFHH-VIFPVBQESA-N	247.125	1.766	70	40	BDIB	
CCc1nn(C)c(Cl)c1S(=O)(=O)Cl	127755598	RYAHZNBXAOEPME-UHFFFAOYSA-N	243.115	1.563	70	40	BDIB	
Cc1nn(CC(F)F)cc1S(=O)(=O)Cl	100783927	VZDKAUYGTQUEAF-UHFFFAOYSA-N	244.650	1.384	70	40	BDIB	
COc1cc(S(=O)(=O)Cl)ccc1O	59458321	FCQVTARNBRAROU-UHFFFAOYSA-N	222.649	1.328	70	40	BDIB	
O=C(NCCSC1CCOCC1)C1CCC1	217698552	MURFTVKACAPWND-UHFFFAOYSA-N	243.372	1.815	70	40	BDIB	
COCCn1cc(NC2=NCCCC2)cn1	217806600	TYAXQGRBMVVJJM-UHFFFAOYSA-N	222.292	1.524	70	40	BDIB	
O=C1CCc2ccc(S(=O)(=O)Cl)cc21	100123504	LRHGGWRIMQOJLM-UHFFFAOYSA-N	230.672	1.743	70	40	BDIB	in-vitro
COc1ccc(S(=O)(=O)F)c(OC)c1	105404602	ZVHNYPCVPUUSPY-UHFFFAOYSA-N	220.221	1.362	70	40	BDIB	
COc1nc(Cl)ccc1S(=O)(=O)Cl	100101283	PGUKRCJUXXVSSR-UHFFFAOYSA-N	242.083	1.671	70	40	BDIB	
Cc1cc(C)c(NC(=O)CC(=N)N)c(C)c1	217752201	HGTXRRBMTHIEQY-UHFFFAOYSA-N	219.288	1.876	70	40	BDIB	
O=[N+]([O-])c1ccc(F)c(CS(=O)(=O)F)c1	536954600	QSYYSGQEVHVYSQ-UHFFFAOYSA-N	237.183	1.533	70	40	BDIB	
COC(=O)c1ccn2cccc2c1OC	217656113	QNXQBZMOUAHXFR-UHFFFAOYSA-N	205.213	1.735	70	40	BDIB	
COc1ccc(C#N)cc1S(=O)(=O)Cl	104536210	MSZFGLJXUUVBRF-UHFFFAOYSA-N	231.660	1.494	70	40	BDIB	in-vitro
O=S(=O)(F)CCn1cnc2ccccc21	100493912	LGBKWJVQGOBPHS-UHFFFAOYSA-N	228.248	1.336	70	40	BDIB	
O=S(=O)(F)Cc1ccc(Cl)nc1	100613193	WLGBSPHYTCCDMQ-UHFFFAOYSA-N	209.629	1.534	70	40	BDIB	in-vitro
CC[C@H](C)Oc1ccc(C(N)=O)cc1OC	216882497	LLVDWQIJDPRSKT-QMMMGPOBSA-N	223.272	1.971	70	40	BDIB	
CNC(=O)c1ccc2c(c1)CC[C@@H](C)N2	217515551	GSZQCLWYTWHZAV-MRVPVSSYSA-N	204.273	1.793	70	40	BDIB	
CC(=O)n1c(C)c(C(N)=O)c2ccccc21	216948901	KUOFHIIYUFFVPV-UHFFFAOYSA-N	216.240	1.709	70	40	BDIB	
Cc1cnc(Cl)c(S(=O)(=O)Cl)c1	100215581	BVVCMKNJSMDRPV-UHFFFAOYSA-N	226.084	1.971	70	40	BDIB	in-vitro
Nc1nnc(-c2ccc(N3CCCC3)cc2)o1	216825818	KEMZLVKDPSGQLD-UHFFFAOYSA-N	230.271	1.919	70	40	BDIB	
O=c1oc2c(O)nncc2n1Cc1ccccc1	217722228	CHOIPXJWJKQUIG-UHFFFAOYSA-N	243.222	1.138	70	40	BDIB	
O=C(Cl)c1cccc(S(=O)(=O)F)c1	95736110	ZYZOMPZZWUWKLH-UHFFFAOYSA-N	222.624	1.724	70	40	BDIB	
O=S(=O)(Cl)c1ccc2cnoc2c1	104534176	RAJPDVCFNZUMBM-UHFFFAOYSA-N	217.633	1.755	70	40	BDIB	
CCn1c(=O)c(C(=O)OC)c(O)c2ccccc21	218714713	PUSQOYWNURMDND-UHFFFAOYSA-N	247.250	1.514	70	40	BDIB	
CC(C)Cn1ccc(S(=O)(=O)Cl)n1	100805354	RDNAMJDVKDXLGD-UHFFFAOYSA-N	222.697	1.467	70	40	BDIB	
O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)F	104161866	AAXIRIIXXFBXPU-UHFFFAOYSA-N	239.611	1.906	70	40	BDIB	
O[C@@]12C[C@H]3C[C@@H](C1)C1(NCCS1)[C@H](C3)C2	217481264	CVRGPYJEPQFMMH-ZZIJQQEUSA-N	225.357	1.590	70	40	BDIB	
Cc1cccc(Cn2cc(C3OCCO3)nn2)c1	216748032	ZCMLYBJUUQEVST-UHFFFAOYSA-N	245.282	1.680	70	40	BDIB	
Cc1nnc(-c2ccc(S(=O)(=O)Cl)o2)o1	100104874	XIKKCLDCCYFSLO-UHFFFAOYSA-N	248.647	1.566	70	40	BDIB	
N=C(N)[C@@H]1CCCN(C(=O)c2ccccc2F)C1	217358611	UVKFHYBXMJVAAG-SECBINFHSA-N	249.289	1.614	70	40	BDIB	
COc1cc(C)c(S(=O)(=O)F)cc1C	105402753	UZRMGFGRENTJBL-UHFFFAOYSA-N	218.249	1.970	70	40	BDIB	
CC(=O)c1cccc(NC(=O)CC(=N)N)c1	217748928	JBQNZIHYZYZNDO-UHFFFAOYSA-N	219.244	1.154	70	40	BDIB	
O=S(=O)(Cl)c1ccc(OCCF)cc1	103694007	PZGIOGPIPGPCBY-UHFFFAOYSA-N	238.667	1.962	70	40	BDIB	
C[C@H]1CCCN1CCCS(=O)(=O)Cl	110752644	OOWIJKLRDPHNRG-QMMMGPOBSA-N	225.741	1.429	70	40	BDIB	
N=C(N)CC(=O)NCc1ccc(Cl)cc1	217740637	LJNBBNXMIXQIJQ-UHFFFAOYSA-N	225.679	1.282	70	40	BDIB	
O=S(=O)(F)[C@@H]1CCN(Cc2ccccc2)C1	100585945	KCLJEZPHJZQPIW-LLVKDONJSA-N	243.303	1.560	70	40	BDIB	in-vitro
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)F)C(=O)C2	100098371	WIVCVRYYFCZLCO-GMSGAONNSA-N	234.292	1.681	70	40	BDIB	
CC(C)n1cc(C2=NN=C(O)[C@H]3C[C@H]23)cn1	217833021	UYJBWSWEQYCROL-IUCAKERBSA-N	218.260	1.774	70	40	BDIB	
Cn1cc(Cl)c(CS(=O)(=O)Cl)n1	1857775633	VGLXZNGJYGSGGI-UHFFFAOYSA-N	229.088	1.142	70	40	BDIB	
Cc1nn(C(F)F)c(C)c1S(=O)(=O)Cl	59681430	HLIWWBFDPRHELR-UHFFFAOYSA-N	244.650	1.823	70	40	BDIB	
CC(=O)Nc1ccc(S(=O)(=O)F)cc1C	104170364	BLXWMHHINGXXMH-UHFFFAOYSA-N	231.248	1.612	70	40	BDIB	
O=S(=O)(F)c1nc2ccccc2[nH]1	536955814	UHMGZCPRYPLLLN-UHFFFAOYSA-N	200.194	1.221	70	40	BDIB	
COC(=O)c1ccc2nnn(C(C)C)c2c1	218255506	CGHDYNYDZCATTG-UHFFFAOYSA-N	219.244	1.799	70	40	BDIB	
CCCNC(=O)Cc1ccc(C)cc1N	217776921	JEXHEKMRZHCPQD-UHFFFAOYSA-N	206.289	1.646	70	40	BDIB	
Cc1ccc(N)c(CC(=O)NCC(C)C)c1	217787702	RCOJKYZYPQXNDA-UHFFFAOYSA-N	220.316	1.892	70	40	BDIB	
COC(=O)C1=CCCC[C@H]1S(=O)(=O)Cl	642882445	AFHWLSTWGOIORS-SSDOTTSWSA-N	238.692	1.207	70	40	BDIB	
O=S(=O)(Cl)c1ccc2nccnc2c1	100069814	LFUMOHGAJQHAKV-UHFFFAOYSA-N	228.660	1.557	70	40	BDIB	in-vitro
OC(C1CNC1)(C(F)(F)F)C(F)(F)F	218500577	YFXGVJBOZWRYIC-UHFFFAOYSA-N	223.116	1.062	70	40	BDIB	
CCOc1cc([B-](F)(F)F)c(F)cn1	238271624	MJOPIQLIHMFJFY-UHFFFAOYSA-N	207.943	1.674	70	40	BDIB	
N#CCOc1ccc(S(=O)(=O)Cl)cc1F	218310456	VQZLSIQVJXVREX-UHFFFAOYSA-N	249.650	1.656	70	40	BDIB	
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Cl	100173026	SQIRQSKPXILWAM-UHFFFAOYSA-N	235.648	1.831	70	40	BDIB	
CCn1ncc(S(=O)(=O)Cl)c1C(F)F	408715816	FBZDJSKVRMDMTA-UHFFFAOYSA-N	244.650	1.768	70	40	BDIB	
O=S(=O)(Cl)c1cnc(F)c(Cl)c1	104549738	GIXVMJIJCOJUNV-UHFFFAOYSA-N	230.047	1.802	70	40	BDIB	
CCS(=O)(=O)c1ccc(C(=O)N=[N+]=[N-])cc1	17421447	MGRAIFKNALKBIC-UHFFFAOYSA-N	239.256	1.931	70	40	BDIB	
COCCOc1ccc(S(=O)(=O)F)cc1	105416003	YFZBPZPPCQMCPD-UHFFFAOYSA-N	234.248	1.370	70	40	BDIB	
O=S(=O)(F)c1ccc(C(F)(F)F)nc1F	1535641953	TZMWKLWAEOFJER-UHFFFAOYSA-N	247.144	1.898	70	40	BDIB	
Cc1oc(C(=O)O)cc1S(=O)(=O)Cl	100591285	QRSZZLROOTWVDV-UHFFFAOYSA-N	224.621	1.214	70	40	BDIB	in-vitro
O=CN1CCc2cc(S(=O)(=O)Cl)ccc21	100574331	CBFKYLBXAGYDRS-UHFFFAOYSA-N	245.687	1.133	70	40	BDIB	
COc1cccc(CN(C)S(=O)(=O)Cl)c1	100501653	MZVWZBHOBQDGNZ-UHFFFAOYSA-N	249.719	1.611	70	40	BDIB	
Cc1ccc(S(=O)(=O)Cl)c2nccnc12	382739558	FGMGCIHOSSIWNH-UHFFFAOYSA-N	242.687	1.866	70	40	BDIB	
Cc1nn(CCN(C)C)c(C)c1NC1=NCCC1	217804662	SPMWAJNGTHNPAP-UHFFFAOYSA-N	249.362	1.666	70	40	BDIB	
Cc1ncncc1-c1nnc(C2CCNCC2)o1	216641312	NMAYRDULXBBVEH-UHFFFAOYSA-N	245.286	1.302	70	40	BDIB	
CCC(=O)c1ccc(OCC(=N)N)cc1	217369451	BITCBYCRJPAHME-UHFFFAOYSA-N	206.245	1.594	70	40	BDIB	
COCCn1nc(C)c(NC2=NCCC2)c1C	217804432	XZNIQRSDTSNCFM-UHFFFAOYSA-N	236.319	1.751	70	40	BDIB	
O=C(NCC[C@@H]1CCCCO1)Nc1ncco1	160234029	IYBXVTBLGOZSSU-VIFPVBQESA-N	239.275	1.755	70	40	BDIB	
N=C(N)CC(=O)Nc1ccc(C(F)(F)F)cc1	217746512	ZZKYNLZXMUZCKH-UHFFFAOYSA-N	245.204	1.970	70	40	BDIB	
CC(=O)NC[C@@H]1CCCN(c2nccs2)C1	218110191	GBTVXCVEYYDJPI-JTQLQIEISA-N	239.344	1.496	70	40	BDIB	
CCCc1nc(O)cc(CCCOC)n1	217785823	LTRORIWQDLXPCX-UHFFFAOYSA-N	210.277	1.714	70	40	BDIB	
CC(C)(C)C(=O)N1CCC(C(=N)N)CC1	217355843	BJURMVZTCLXOMW-UHFFFAOYSA-N	211.309	1.207	70	40	BDIB	
COC(=O)C1=CCCC[C@@H]1S(=O)(=O)Cl	642882448	AFHWLSTWGOIORS-ZETCQYMHSA-N	238.692	1.207	70	40	BDIB	
Cc1cc(S(=O)(=O)Cl)n(C(C)C)n1	100804896	UNTCGGASZJGZSD-UHFFFAOYSA-N	222.697	1.700	70	40	BDIB	
O=c1ccc2ccc(S(=O)(=O)Cl)cc2[nH]1	100662209	XQXOYFQFUHJRNH-UHFFFAOYSA-N	243.671	1.456	70	40	BDIB	in-vitro
O=C=Nc1cccc(S(=O)(=O)F)c1	95762998	MXNBVYUXLFKJKX-UHFFFAOYSA-N	201.178	1.312	70	40	BDIB	
O=C(NS(=O)(=O)Cl)Oc1ccccc1	100445158	KBZORIBFGMIGOT-UHFFFAOYSA-N	235.648	1.259	70	40	BDIB	
O=C1CCOc2ccc(S(=O)(=O)Cl)cc21	97956506	UDHJEOIBCQHSND-UHFFFAOYSA-N	246.671	1.579	70	40	BDIB	
Cn1nc2ccccc2c1S(=O)(=O)F	1535627903	GHSCACBYCFOUMP-UHFFFAOYSA-N	214.221	1.232	70	40	BDIB	
Cc1ccccc1Cn1cc(C2OCCO2)nn1	216747965	OBQRSNOIZXUTKK-UHFFFAOYSA-N	245.282	1.680	70	40	BDIB	
O=S(=O)(Cl)c1ccc2nc(O)ccc2c1	100078540	YEYHIOACCQXLCJ-UHFFFAOYSA-N	243.671	1.868	70	40	BDIB	
COc1ccncc1S(=O)(=O)Cl	97971807	HZXCJVXFYRJJJR-UHFFFAOYSA-N	207.638	1.018	70	40	BDIB	
N=C(N)C1CCN(C(=O)c2ccccc2)CC1	217355942	YBSMKHNGZMBVJU-UHFFFAOYSA-N	231.299	1.475	70	40	BDIB	
O=C(NCC[C@@H](O)c1ccsc1)C1CC1	217523831	JGDVFXHIQFPPMX-SNVBAGLBSA-N	225.313	1.698	70	40	BDIB	
CCCn1nc(C)c(S(=O)(=O)Cl)c1C	100783480	UAUIOCANAGEGSF-UHFFFAOYSA-N	236.724	1.837	70	40	BDIB	
[N-]=[N+]=NCCOS(=O)(=O)C(F)(F)F	146355334	ICFYJRZEAUCLGH-UHFFFAOYSA-N	219.144	1.163	70	40	BDIB	
COc1c(F)c(F)cc(C(=N)N)c1F	217375104	KNUDMBGGVNOWOB-UHFFFAOYSA-N	204.151	1.397	70	40	BDIB	
Cc1nn(C(C)C)cc1S(=O)(=O)Cl	59681488	OEMNIZAEFGZSJQ-UHFFFAOYSA-N	222.697	1.700	70	40	BDIB	in-vitro
Cn1cnnc1CN1CCc2ccccc2C1	160667863	VIBVHSSJAXMMMX-UHFFFAOYSA-N	228.299	1.373	70	40	BDIB	
N#Cc1ccc(NS(=O)(=O)F)cc1	1776011185	JFFLRMMKZVRSOF-UHFFFAOYSA-N	200.194	1.184	70	40	BDIB	
O=S(=O)(F)c1ccnc(Br)c1	1776011359	IHRWTHXMYOLLNB-UHFFFAOYSA-N	240.053	1.502	70	40	BDIB	
Cc1cc(Cn2cnc(C(C)C)cc2=O)no1	160684219	LPZQUIBSLJGVKN-UHFFFAOYSA-N	233.271	1.711	70	40	BDIB	
COC(=O)c1cccc(S(=O)(=O)F)c1	104056807	JEGFLTZACMZIDD-UHFFFAOYSA-N	218.205	1.131	70	40	BDIB	
O=S(=O)(F)NCc1ccc(F)cc1	1776011265	YKPQLELIXCEIQH-UHFFFAOYSA-N	207.201	1.130	70	40	BDIB	
CCOC(=O)[C@H](C(C)C)S(=O)(=O)Cl	104549698	BYLWQKXZQWIBFA-LURJTMIESA-N	228.697	1.143	70	40	BDIB	
O=C(O)c1ccc(CS(=O)(=O)Cl)cc1	103582122	DAGYFDUEPISFBZ-UHFFFAOYSA-N	234.660	1.453	70	40	BDIB	
CN(C)[Si](Cl)(c1ccccc1)N(C)C	195751482	JNVKCQAGHOQPFY-UHFFFAOYSA-N	228.799	1.195	70	40	BDIB	
O=S(=O)(Br)C1CCCC1	103603597	KPLWSKUODXVSKN-UHFFFAOYSA-N	213.096	1.654	70	40	BDIB	
O=S(=O)(F)c1ccc(Br)nc1	258248467	MHWWGFYXAIQYFV-UHFFFAOYSA-N	240.053	1.502	70	40	BDIB	
CC(C)OCCOS(=O)(=O)C(F)(F)F	110753585	VKNZFSIEQFHBDG-UHFFFAOYSA-N	236.211	1.278	70	40	BDIB	
O=S(=O)(F)Cc1cc(Br)no1	1535054672	XJFWKJWFKCXTAT-UHFFFAOYSA-N	244.041	1.236	70	40	BDIB	
COCCCNC(=O)Cc1ccc(C)cc1N	217777824	DURSTRMWYGZFRK-UHFFFAOYSA-N	236.315	1.272	70	40	BDIB	
CCOC(=O)c1ccc(N(C)C)nc1C	218266081	NEHAJSXXFPEUDE-UHFFFAOYSA-N	208.261	1.633	70	40	BDIB	
Cc1cc(C)c(S(=O)(=O)Cl)cc1C(=O)O	100520413	FFRJDYMIRFLOCU-UHFFFAOYSA-N	248.687	1.929	70	40	BDIB	
O=S(=O)(F)c1ccc2c(c1)CCC2	105395020	DSSMPOCYFKIYTQ-UHFFFAOYSA-N	200.234	1.834	70	40	BDIB	
CCc1nc(Cn2cnc(C(C)C)cc2=O)no1	160781847	WRQYHLYJOAGVGP-UHFFFAOYSA-N	248.286	1.360	70	40	BDIB	
Cc1cccnc1OS(=O)(=O)C(F)(F)F	100041761	KBHZMXPMBNDXPZ-UHFFFAOYSA-N	241.190	1.618	70	40	BDIB	
C=CCOC(=O)On1nnc2ccccc21	100076283	BZIKYYADAVJMRE-UHFFFAOYSA-N	219.200	1.183	70	40	BDIB	
N=C(N)CC(=O)NCc1ccccc1Cl	217740538	RTNITODFGPMAGB-UHFFFAOYSA-N	225.679	1.282	70	40	BDIB	
COC(=O)c1ccccc1CS(=O)(=O)F	100651398	QLOANAOVRLNZBO-UHFFFAOYSA-N	232.232	1.273	70	40	BDIB	in-vitro
CCCn1cc(NC2=NCCOC2)cn1	217807461	SYQYPRWVBCVNBF-UHFFFAOYSA-N	208.265	1.134	70	40	BDIB	
COCCn1cc(NC2=NCCCCC2)cn1	217813473	CPUMWTWSUPKVEP-UHFFFAOYSA-N	236.319	1.914	70	40	BDIB	
COc1ccc(CS(=O)(=O)Cl)cc1F	103538137	MFTMZDKVJSACPF-UHFFFAOYSA-N	238.667	1.903	70	40	BDIB	
Cn1cc(S(=O)(=O)Cl)c2cccnc21	238547252	AMNDZKQXDLDCEN-UHFFFAOYSA-N	230.676	1.501	70	40	BDIB	
Cc1cc(C)c(S(=O)(=O)F)cc1C(=O)O	104169027	IOCQBSNJNVCVCU-UHFFFAOYSA-N	232.232	1.660	70	40	BDIB	
Cc1ncc(-c2nnc([C@@H]3CCCNC3)o2)cn1	216664252	GFEAMBLDSQNGBB-SECBINFHSA-N	245.286	1.302	70	40	BDIB	
O=S(=O)(F)c1nc2ccccc2s1	100035368	WNKAAUWKENUQEO-UHFFFAOYSA-N	217.246	1.955	70	40	BDIB	in-vitro
Cn1cc(S(=O)(=O)Cl)c(C(F)F)n1	408715417	BEJVEJRFKNOCDL-UHFFFAOYSA-N	230.623	1.285	70	40	BDIB	
Cc1nn(CCF)cc1S(=O)(=O)Cl	101702267	QBCPWEVNSGQMDF-UHFFFAOYSA-N	226.660	1.089	70	40	BDIB	
O=S(=O)(Oc1ccc(F)cn1)C(F)(F)F	100016041	AGZLPEKIEDZQBF-UHFFFAOYSA-N	245.153	1.449	70	40	BDIB	
NCc1ccc(OC2CCC(=O)CC2)nc1	217431383	YTINAOAZNBFNOQ-UHFFFAOYSA-N	220.272	1.431	70	40	BDIB	
O=S(=O)(Cl)N1CC[C@H]2CCCC[C@H]2C1	238856139	UXYLNEDQPMFVRY-BDAKNGLRSA-N	237.752	1.982	70	40	BDIB	
CSc1cccc(NC(=O)CC(=N)N)c1	217748466	FBGIQPHAYYQIFY-UHFFFAOYSA-N	223.301	1.673	70	40	BDIB	
O=S(=O)(Cl)C[C@@H](Cl)CCl	104536267	QVMRBEYLBVVAJW-VKHMYHEASA-N	211.497	1.401	70	40	BDIB	
COc1ccc(/C=N/S(=O)(=O)Cl)cc1	104542574	YWZOIFQOKDXVLJ-UXBLZVDNSA-N	233.676	1.598	70	40	BDIB	
COC(=O)[C@H]1CCCC[C@H]1S(=O)(=O)Cl	97957409	LSDFFWKOHJPAMC-NKWVEPMBSA-N	240.708	1.287	70	40	BDIB	in-vitro
C[C@@H](NC(=O)CC(=N)N)c1ccc(F)cc1	217755753	WGLBLWUTOLKVRK-SSDOTTSWSA-N	223.251	1.329	70	40	BDIB	
Cc1cc(S(=O)(=O)Cl)ccc1NC(N)=O	104084080	BXFKFKRMNUBJGP-UHFFFAOYSA-N	248.691	1.413	70	40	BDIB	
CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C)C1	216908873	CPUMRFUYCXVDDT-GHMZBOCLSA-N	212.337	1.633	70	40	BDIB	
Cc1ccc(C(=O)N2CCC[C@@H](C(=N)N)C2)cc1	217358086	LCZSHDZNTXVPAV-GFCCVEGCSA-N	245.326	1.783	70	40	BDIB	
Cc1cc2[nH]ncc2cc1S(=O)(=O)Cl	143414283	QSZZENKCXRHHCD-UHFFFAOYSA-N	230.676	1.799	70	40	BDIB	
CC(C)Cn1cc(NC2=NCCOC2)cn1	217807561	QHRNJFMXLQOTFZ-UHFFFAOYSA-N	222.292	1.380	70	40	BDIB	
COC[C@H](C)OC(=O)Cc1cc(C)ccc1N	217782299	NAZNPQPVYFRQLJ-JTQLQIEISA-N	237.299	1.698	70	40	BDIB	
Cc1ccc(S(=O)(=O)F)cc1C(=O)O	103525309	VORKXFBYNXMVJD-UHFFFAOYSA-N	218.205	1.351	70	40	BDIB	
COc1ccc(S(=O)(=O)F)c(C)c1C	105402789	JKSSVWXXCZVACQ-UHFFFAOYSA-N	218.249	1.970	70	40	BDIB	
Cc1cc([S@](=O)O)c2[nH]c(=O)cc(C)c2c1	217433670	IBOVWOOTOJDBIP-UHFFFAOYSA-N	237.280	1.726	70	40	BDIB	
Cc1cc(=O)[nH]c2ccc([S@](=O)O)cc12	217444168	PAOFZHXGXJMLQK-UHFFFAOYSA-N	223.253	1.417	70	40	BDIB	
Cc1cccc(C)c1NC(=O)CC(=N)N	217742650	ADVWYMDJQASYNR-UHFFFAOYSA-N	205.261	1.568	70	40	BDIB	
CCn1cc(S(=O)(=O)Cl)c(C(F)F)n1	408716987	UJWXSPICFNSZCI-UHFFFAOYSA-N	244.650	1.768	70	40	BDIB	
c1cc2c(cc1-c1cn[nH]c1)OCCO2	217570216	INADRVDXFTWOAD-UHFFFAOYSA-N	202.213	1.848	70	40	BDIB	
Cc1ccc(CC(=O)NC[C@H]2CCCO2)c(N)c1	217780195	XBYVGHYQEOVMDY-GFCCVEGCSA-N	248.326	1.415	70	40	BDIB	
CC(C)CS(=O)(=O)Br	103603610	NSDHDHYDPZZOLV-UHFFFAOYSA-N	201.085	1.367	70	40	BDIB	
CCC(C)(C)NC(=O)C1CCN(C)CC1	216924017	VLKDEEZELVWXPY-UHFFFAOYSA-N	212.337	1.633	70	40	BDIB	
N=C(N)COc1ccccc1NC(=O)C1CC1	217370623	HHTIJLHVBKSRLJ-UHFFFAOYSA-N	233.271	1.350	70	40	BDIB	
CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)F)C(=O)C2	100098381	WIVCVRYYFCZLCO-XVKPBYJWSA-N	234.292	1.681	70	40	BDIB	
O=S(=O)(Cl)c1cncc(Cl)c1	100003415	FQNDXOOGXYFWHZ-UHFFFAOYSA-N	212.057	1.663	70	40	BDIB	in-vitro
N#Cc1c(F)ccc(S(=O)(=O)Cl)c1F	218310162	FRROKRWAYZZOMK-UHFFFAOYSA-N	237.614	1.764	70	40	BDIB	
CCCn1ncc(Cl)c1S(=O)(=O)Cl	100804875	ZXLXSVUWCKMBIC-UHFFFAOYSA-N	243.115	1.874	70	40	BDIB	
COc1ccc(S(=O)(=O)F)cc1C(=O)O	100816446	JKEBLZKYIOYFNV-UHFFFAOYSA-N	234.204	1.052	70	40	BDIB	in-vitro
O=S(=O)(Cl)c1cccnc1N1CCCC1	97952692	TWJZTLMTDJXNLJ-UHFFFAOYSA-N	246.719	1.609	70	40	BDIB	
C[C@H]1Cc2ccccc2N1Cc1nncn1C	160666714	SQZBLQAPQJHVBQ-JTQLQIEISA-N	228.299	1.766	70	40	BDIB	
CCC(=O)n1cc(C(N)=O)c2ccccc21	216949057	NKJYVESKPHAGHO-UHFFFAOYSA-N	216.240	1.790	70	40	BDIB	
CC1(C)[C@@H]2CC[C@]1(CS(=O)(=O)F)C(=O)C2	100098378	WIVCVRYYFCZLCO-XCBNKYQSSA-N	234.292	1.681	70	40	BDIB	
CC(C)C(=O)Nc1cccc(OCC(=N)N)c1	217369926	TWJUTTCNIHCCBF-UHFFFAOYSA-N	235.287	1.596	70	40	BDIB	
CC[C@@H](CCOC)CS(=O)(=O)Cl	103704460	LWIOSBGKSPDGLQ-ZETCQYMHSA-N	214.714	1.618	70	40	BDIB	
OB(OCc1ccccc1)c1ccc(O)cc1	199581678	GKRILDIJSTUFCA-UHFFFAOYSA-N	228.056	1.297	70	40	BDIB	
Nc1cc(S(=O)(=O)F)ccc1Cl	95736086	HNZYBSQZUOJCDN-UHFFFAOYSA-N	209.629	1.580	70	40	BDIB	
Cc1ccc(C(=O)N2CCC[C@H](C(=N)N)C2)cc1	217358167	LCZSHDZNTXVPAV-LBPRGKRZSA-N	245.326	1.783	70	40	BDIB	
COC(=O)c1cc(C)ccc1S(=O)(=O)Cl	59373126	YVRAHMZXNNIDOA-UHFFFAOYSA-N	248.687	1.709	70	40	BDIB	in-vitro
CC(=O)Nc1ccc(S(=O)(=O)F)cc1F	95671305	VRICGBRQLYBLAR-UHFFFAOYSA-N	235.211	1.442	70	40	BDIB	
O=S(=O)(Br)c1ccccc1	77863554	CGWWQPZGKPHLBU-UHFFFAOYSA-N	221.075	1.770	70	40	BDIB	
O=C(O)c1ccccc1S(=O)(=O)Cl	100031241	ZRWICZHXYMHBDP-UHFFFAOYSA-N	220.633	1.312	70	40	BDIB	
COC(=O)c1cc(Cl)ccc1OCC(=N)N	217368653	WPXMYSBUOVUBNS-UHFFFAOYSA-N	242.662	1.441	70	40	BDIB	
CCn1cc(C2=NN=C(O)[C@H]3C[C@H]23)cn1	217832677	ITQJIBNGQATVDI-YUMQZZPRSA-N	204.233	1.213	70	40	BDIB	
O=S(=O)(Cl)N1CC[C@@H]2CCCC[C@@H]2C1	100642045	UXYLNEDQPMFVRY-DTWKUNHWSA-N	237.752	1.982	70	40	BDIB	
Cn1cnnc1CN1CCc2sccc2C1	160739185	CVQNHCYQZUXILC-UHFFFAOYSA-N	234.328	1.435	70	40	BDIB	
C[C@H]1CCCCN1CCCS(=O)(=O)Cl	110752652	YFEQERVJVRMSKH-VIFPVBQESA-N	239.768	1.820	70	40	BDIB	
CN(C)C(=O)c1ccccc1S(=O)(=O)Cl	100601955	WBDIEJDTFQYTIC-UHFFFAOYSA-N	247.703	1.316	70	40	BDIB	
CC(C)=C1[C@H]2C=C[C@@H]1[C@@H]1C(=O)NC(=O)[C@@H]21	217432611	MOUDGOQQAUDGFJ-MBLNEYKQSA-N	203.241	1.027	70	40	BDIB	
CN1CCC[C@@H](C(=O)N2CCCC(C)(C)C2)C1	216913913	OHENXTLOEGATGV-GFCCVEGCSA-N	238.375	1.977	70	40	BDIB	
Cc1ccc(N)c(CC(=O)NC2CC2)c1	217786218	NQZHUILVLRKIEP-UHFFFAOYSA-N	204.273	1.398	70	40	BDIB	
Cc1ccc(Cl)cc1NC(=O)CC(=N)N	217744853	NQVDNODCDKEGTN-UHFFFAOYSA-N	225.679	1.913	70	40	BDIB	
O=C(O)CCc1cccc(S(=O)(=O)Cl)c1	103581779	WEYGFADWOUDBBX-UHFFFAOYSA-N	248.687	1.631	70	40	BDIB	
N=C(N)CC(=O)Nc1c(F)cccc1F	217745997	KHFVKQACCOQFDB-UHFFFAOYSA-N	213.187	1.229	70	40	BDIB	
Cc1cc(Cl)ccc1NC(=O)CC(=N)N	217744753	PIFAHRVSQVGWGK-UHFFFAOYSA-N	225.679	1.913	70	40	BDIB	
O=S(=O)(Cl)C1CC(C(F)F)C1	953061256	LJWLEMAUXSPGTL-UHFFFAOYSA-N	204.625	1.599	70	40	BDIB	
O=S(=O)(F)c1cc(Cl)ccc1O	104157167	CHHKVSZCAUJWMQ-UHFFFAOYSA-N	210.613	1.704	70	40	BDIB	
O=S(=O)(Cl)CC1CC(F)(F)C1	221866300	UUMFLEUTZDVHNQ-UHFFFAOYSA-N	204.625	1.600	70	40	BDIB	
O=S(=O)(F)Nc1ccccc1Cl	1776011143	AJGBMROTXLNMNX-UHFFFAOYSA-N	209.629	1.966	70	40	BDIB	
O=S(=O)(OC[C@H]1CC1(F)F)C(F)(F)F	110753689	XTTREKYRKRNVLV-GSVOUGTGSA-N	240.149	1.508	70	40	BDIB	
COCC(=O)NCCOc1ccccc1Cl	159378725	QZSHBGJVVIQLSB-UHFFFAOYSA-N	243.690	1.481	70	40	BDIB	
C[C@H](NC(=O)CC(=N)N)c1ccc(Cl)cc1	217753803	NUWVITJJONFJBB-ZETCQYMHSA-N	239.706	1.843	70	40	BDIB	
Cc1nc2cc(S(=O)(=O)Cl)ccc2[nH]1	100000491	OKYFXCWQGPKWQL-UHFFFAOYSA-N	230.676	1.799	70	40	BDIB	in-vitro
c1ccc(CN2CCO[C@H]3COC[C@H]32)cc1	218700718	TWKCBRNWMOQQNX-OLZOCXBDSA-N	219.284	1.286	70	40	BDIB	
Cc1c(S(=O)(=O)Cl)cnn1C(C)C	100777568	YFLLOAAKOQLXAO-UHFFFAOYSA-N	222.697	1.700	70	40	BDIB	
CCCCn1cc(NC2=NCCOC2)cn1	217807662	VMELPHQWHWSVGP-UHFFFAOYSA-N	222.292	1.524	70	40	BDIB	
CCn1ncc(S(=O)(=O)Cl)c1Cl	103711901	VECAXDAHYJAQEV-UHFFFAOYSA-N	229.088	1.484	70	40	BDIB	
N=C(N)CC(=O)Nc1ccccc1Cl	217743860	NDHHNUBMKOBSOF-UHFFFAOYSA-N	211.652	1.605	70	40	BDIB	
O=C(CS(=O)(=O)Cl)c1cccc(F)c1	217516780	WMIILABSGVNURG-UHFFFAOYSA-N	236.651	1.577	70	40	BDIB	
CCCn1nc(S(=O)(=O)Cl)cc1C	100805343	IYLBJJAVDZKGCZ-UHFFFAOYSA-N	222.697	1.529	70	40	BDIB	
O=S(=O)(Cl)CCc1cccc(F)c1	95698085	KULUITPKYGNZQE-UHFFFAOYSA-N	222.668	1.937	70	40	BDIB	
CC(=O)NC[C@H]1CCCN(c2nccs2)C1	218110258	GBTVXCVEYYDJPI-SNVBAGLBSA-N	239.344	1.496	70	40	BDIB	
N=C(N)COc1cccc(NC(=O)C2CC2)c1	217370046	WNEGZNLOYPBXQD-UHFFFAOYSA-N	233.271	1.350	70	40	BDIB	
COc1ccc(S(=O)(=O)F)cc1F	105398563	ZKVVOIWXDIFCOR-UHFFFAOYSA-N	208.185	1.493	70	40	BDIB	
O=C(O)c1ccc(S(=O)(=O)Cl)cc1F	100649102	LBEVLPITHCKEMK-UHFFFAOYSA-N	238.623	1.451	70	40	BDIB	in-vitro
O=S(=O)(F)c1c[nH]c2nc(Cl)ccc12	1535644645	LIQQNCHHFXNFJK-UHFFFAOYSA-N	234.639	1.875	70	40	BDIB	
CC(=O)n1cc(C(N)=O)c2ccccc21	216948874	ROLODMSWMCNYNQ-UHFFFAOYSA-N	202.213	1.400	70	40	BDIB	
NC(=S)[C@@H]1C[C@H]1S(=O)(=O)c1ccccc1	217983468	DZHJYHADSUKCJF-RKDXNWHRSA-N	241.337	1.135	70	40	BDIB	
O=C(c1ccsc1)N1CC(n2ccnn2)C1	217712605	JJZCGAXLIITHDE-UHFFFAOYSA-N	234.284	1.037	70	40	BDIB	
CN(C)CCn1cc(NC2=NCCC2)cn1	217803148	SPRSOYRHTUKSOT-UHFFFAOYSA-N	221.308	1.049	70	40	BDIB	
CONC(=O)Nc1ccnc(C)c1Cl	159883665	QMBNIZHWDIFTHI-UHFFFAOYSA-N	215.640	1.726	70	40	BDIB	
Cc1sc(C(=O)O)cc1S(=O)(=O)Cl	100621119	OWIRUVOQVJXGHS-UHFFFAOYSA-N	240.689	1.682	70	40	BDIB	in-vitro
Cc1c(S(=O)(=O)Cl)cnn1CC(C)C	100777579	NJONIMLYPRNDNV-UHFFFAOYSA-N	236.724	1.775	70	40	BDIB	
O=S(=O)(Cl)c1ccc(F)c2nonc12	72399606	ULAADSMIEGGGMT-UHFFFAOYSA-N	236.611	1.289	70	40	BDIB	in-vitro
Cc1cccc(S(=O)(=O)Cl)c1C#N	100458831	XAZPRNGSYCSCHD-UHFFFAOYSA-N	215.661	1.794	70	40	BDIB	
C[C@H]1C(=O)Nc2ccc(S(=O)(=O)Cl)cc21	100129821	JIIBYPZOZQAHSR-RXMQYKEDSA-N	245.687	1.670	70	40	BDIB	
O=S(=O)(Cl)NCc1ccccc1	100292638	SFAOLWKGJFXPND-UHFFFAOYSA-N	205.666	1.260	70	40	BDIB	
COc1ccc(C)cc1NC(=O)CC(=N)N	217748146	PLLVUIUKHVXHBA-UHFFFAOYSA-N	221.260	1.268	70	40	BDIB	
COCC[C@@H](C)CS(=O)(=O)Cl	103704574	XSLSXACFKCJOFE-ZCFIWIBFSA-N	200.687	1.228	70	40	BDIB	
C[C@@H]1CCCCN1CCCS(=O)(=O)Cl	110752649	YFEQERVJVRMSKH-SECBINFHSA-N	239.768	1.820	70	40	BDIB	
N=C(N)C1CCN(C(=O)c2ccc(F)cc2)CC1	217356591	OLCOJAUQJYOZSI-UHFFFAOYSA-N	249.289	1.614	70	40	BDIB	
CCc1ccccc1NC(=O)CC(=N)N	217743080	RIWAQKONGRBCQR-UHFFFAOYSA-N	205.261	1.514	70	40	BDIB	
CC(=O)c1ccc(S(=O)(=O)F)cc1	59279494	GCMYDSDIXNHNKU-UHFFFAOYSA-N	202.206	1.547	70	40	BDIB	in-vitro
COc1ccc(CS(=O)(=O)F)cc1[N+](=O)[O-]	100617172	VNLNWBAJFFMVEM-UHFFFAOYSA-N	249.219	1.403	70	40	BDIB	in-vitro
Cc1cc(S(=O)(=O)Cl)ccc1[N+](=O)[O-]	100633138	BSTFFQWSGXDOOL-UHFFFAOYSA-N	235.648	1.831	70	40	BDIB	
CCn1ncc(Cl)c1S(=O)(=O)Cl	100804882	AJIHUVMLMIORFO-UHFFFAOYSA-N	229.088	1.484	70	40	BDIB	
CS(=O)(=O)c1ccc([B-](F)(F)F)c(F)c1	238386267	KIELETKEFVAPMV-UHFFFAOYSA-N	240.994	1.284	70	40	BDIB	
CC(C)(C)n1cc(S(=O)(=O)Cl)cn1	59312439	IPROHKMRBNXXDG-UHFFFAOYSA-N	222.697	1.566	70	40	BDIB	
Cc1ccc(F)cc1NC(=O)CC(=N)N	217755545	XAFQSOKHUBUMOT-UHFFFAOYSA-N	209.224	1.399	70	40	BDIB	
FCCn1cc(NC2=NCCCC2)cn1	217806294	IJTHUDKNWYBXOI-UHFFFAOYSA-N	210.256	1.847	70	40	BDIB	
Cl[SiH](Cl)C[SiH](Cl)Cl	199867818	ILZIHGWXTARXAO-UHFFFAOYSA-N	214.027	1.922	70	40	BDIB	
Cn1ncc(Cl)c1S(=O)(=O)Cl	100804761	QAISCMHOYPFPLT-UHFFFAOYSA-N	215.061	1.001	70	40	BDIB	in-vitro
COC(=O)Nc1ccc(S(=O)(=O)Cl)cc1	95686538	PXQWDWGLZDPBET-UHFFFAOYSA-N	249.675	1.792	70	40	BDIB	
COCCc1ccc(S(=O)(=O)Cl)cc1	100553987	SYFCSHZEPVGAID-UHFFFAOYSA-N	234.704	1.803	70	40	BDIB	
O=S(=O)(Cl)c1ccc(F)nc1F	104541331	FWYQHWMGXXSLOT-UHFFFAOYSA-N	213.592	1.287	70	40	BDIB	in-vitro
CCCn1ccc(S(=O)(=O)Cl)n1	100805349	UATWHIVZUZGPAC-UHFFFAOYSA-N	208.670	1.221	70	40	BDIB	
O=C(O)c1ccc(CCS(=O)(=O)Cl)cc1	104552575	ZIDAQGDAGLUSJZ-UHFFFAOYSA-N	248.687	1.496	70	40	BDIB	
CCS(=O)(=O)c1c[nH]c2ccccc12	218544007	TXBOEHXCIRMTLM-UHFFFAOYSA-N	209.270	1.962	70	40	BDIB	
CN1CCC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)C1	216906368	VOANUNJJHONOJY-UMSGYPCISA-N	236.359	1.633	70	40	BDIB	
CCOC(=O)c1ccc(Cn2cc(N)cn2)o1	217805632	MNSJJFWRGDFACX-UHFFFAOYSA-N	235.243	1.283	70	40	BDIB	
COc1cc(C)cc(S(=O)(=O)Cl)c1	103599856	ZUWALFVVYFEZSI-UHFFFAOYSA-N	220.677	1.931	70	40	BDIB	
O=S(=O)(Cl)c1ccnc(Cl)c1	59145531	YQKSHKJJXUAFAN-UHFFFAOYSA-N	212.057	1.663	70	40	BDIB	
C(=NCCN1CCOCC1)=NC1CCCCC1	8034767	XNPOFXIBHOVFFH-UHFFFAOYSA-N	237.347	1.825	70	40	BDIB	in-vitro
C[C@@H](F)COS(=O)(=O)C(F)(F)F	223309017	NXQZTJSQOZFPLK-GSVOUGTGSA-N	210.148	1.211	70	40	BDIB	
O=C(F)[C@@](F)(C(F)(F)F)S(=O)(=O)F	100478023	GNXIPZJHEFTGNR-REOHCLBHSA-N	230.085	1.010	70	40	BDIB	
COc1ccc([C@@H](C)NC(=O)CC(=N)N)cc1	217754124	LUCYQUMMSILMAC-MRVPVSSYSA-N	235.287	1.198	70	40	BDIB	
CCN(Cc1ccc(CO)cc1)C(C)(C)CO	160053097	LJMQUXPCXAVGLM-UHFFFAOYSA-N	237.343	1.772	70	40	BDIB	
COc1cc(C#N)cc(S(=O)(=O)Cl)c1	103600076	ODODFMFNROQABQ-UHFFFAOYSA-N	231.660	1.494	70	40	BDIB	
CC(C)c1nc(S(=O)(=O)Cl)c[nH]1	100640283	ZWCLNNHXJPARMB-UHFFFAOYSA-N	208.670	1.461	70	40	BDIB	in-vitro
O=S(=O)(F)C(F)(F)C(F)(F)F	103623980	JUZCVRZJGRPWJZ-UHFFFAOYSA-N	202.075	1.441	70	40	BDIB	
COc1ccc(C=O)cc1S(=O)(=O)Cl	32098898	UOPJTTUHMHJHNC-UHFFFAOYSA-N	234.660	1.435	70	40	BDIB	
CCn1nc2ccc(C(=O)OC)cc2n1	218253621	FUIBZDGRNCBARR-UHFFFAOYSA-N	205.217	1.238	70	40	BDIB	
O=S(=O)(Cl)c1cccc(Cl)n1	100764505	IJPXRIBIZULCGQ-UHFFFAOYSA-N	212.057	1.663	70	40	BDIB	in-vitro
O=S(=O)(Cl)C(F)(F)C(F)(F)F	100043273	VQHMMOSXFHZLPI-UHFFFAOYSA-N	218.530	1.710	70	40	BDIB	in-vitro
O=S(=O)(Cl)c1ccn(CC(F)(F)F)n1	100805357	LHEWERHADPJETO-UHFFFAOYSA-N	248.613	1.373	70	40	BDIB	
N#Cc1ccc(S(=O)(=O)Cl)c(F)c1	100438536	UYHVZXCIAQVHMY-UHFFFAOYSA-N	219.624	1.625	70	40	BDIB	in-vitro
COc1cc(C(C)=O)ccc1OCC(=N)N	217368412	DAJIXOAMGUNZLT-UHFFFAOYSA-N	222.244	1.213	70	40	BDIB	
O=S(=O)(Cl)N1CCCC(F)(F)C1	97976204	KQVAABHIYFTFQR-UHFFFAOYSA-N	219.640	1.201	70	40	BDIB	
O=S(=O)(Cl)CCCN1CCCCCC1	110752633	PIJGZMPCCVEKQL-UHFFFAOYSA-N	239.768	1.821	70	40	BDIB	
N#Cc1c(F)cccc1S(=O)(=O)Cl	100594218	BGAALQGGQLDGFK-UHFFFAOYSA-N	219.624	1.625	70	40	BDIB	in-vitro
Cc1cnc(Cn2cnc(C(C)C)cc2=O)o1	160775460	URSYCPBKWPNVPX-UHFFFAOYSA-N	233.271	1.711	70	40	BDIB	
O=CNc1ccc(S(=O)(=O)Cl)cc1	100592904	XLVLOSDNUCWQEC-UHFFFAOYSA-N	219.649	1.182	70	40	BDIB	
CC(=O)Oc1cc(=O)[nH]c2c(C)cccc12	217430730	ISDUEEXDRXJJDH-UHFFFAOYSA-N	217.224	1.762	70	40	BDIB	
Fc1ccccc1Cn1cc(C2OCCO2)nn1	216748366	ZUDYGAHBFFBMIY-UHFFFAOYSA-N	249.245	1.511	70	40	BDIB	
O=C(NCC(F)(F)F)[C@@H]1CCCCO1	160804286	RRTWHNULZQSCMZ-LURJTMIESA-N	211.183	1.234	70	40	BDIB	
O=S(=O)(F)c1nc2c(s1)CCCC2	1535425040	QFLZEHMGXFYTRT-UHFFFAOYSA-N	221.278	1.680	70	40	BDIB	
COC[C@H](C)OC(=O)Cc1ccc(C)cc1N	217776055	WFAHTZPZLKIGHW-JTQLQIEISA-N	237.299	1.698	70	40	BDIB	
COc1c(F)ccc(S(=O)(=O)Cl)c1F	103624715	HOMCRQATKGIJDA-UHFFFAOYSA-N	242.630	1.901	70	40	BDIB	
COCCNC(=O)Nc1ccn2nccc2c1	217961075	FEINMLSJPGDIRB-UHFFFAOYSA-N	234.259	1.102	70	40	BDIB	
CCC[C@H](C)NC(=O)[C@@H]1CCCN(C)C1	216908900	CPUMRFUYCXVDDT-WDEREUQCSA-N	212.337	1.633	70	40	BDIB	
O=S(=O)(F)c1ccc2cn[nH]c2c1	100653842	JRWOJNCNWIWTFG-UHFFFAOYSA-N	200.194	1.221	70	40	BDIB	in-vitro
CCOC(=O)c1coc(S(=O)(=O)Cl)c1	100062794	LEKOVVUPHAKDKN-UHFFFAOYSA-N	238.648	1.384	70	40	BDIB	
CC(=O)c1cc(S(=O)(=O)Cl)ccc1F	59079749	WHWUPAYSRVSBDG-UHFFFAOYSA-N	236.651	1.956	70	40	BDIB	
O=S(=O)(Cl)c1ncc(Cl)cc1F	104550999	MMTYCRCZGDSGHR-UHFFFAOYSA-N	230.047	1.802	70	40	BDIB	
COCCCc1cc(O)nc(CC2CC2)n1	217787571	MNSGOOQJAPEXRV-UHFFFAOYSA-N	222.288	1.714	70	40	BDIB	
Cc1cc(C)n2ncc(S(=O)(=O)Cl)c2n1	104537648	MEWYUZLESQFFTG-UHFFFAOYSA-N	245.691	1.274	70	40	BDIB	
CC(C)n1cc(NC2=NCCOC2)cn1	217807356	SRBKXXDADURCID-UHFFFAOYSA-N	208.265	1.305	70	40	BDIB	
CC[C@H](C)n1ccc(S(=O)(=O)Cl)n1	100805352	NAHKSEOGKSNLJY-LURJTMIESA-N	222.697	1.782	70	40	BDIB	
C[Si](C)(C)OC(C[SiH3])O[Si](C)(C)C	201238963	WAQGZSSSGDJLFT-UHFFFAOYSA-N	236.536	1.799	70	40	BDIB	
O=S(=O)(F)N1CCC(CCF)CC1	1776011230	SZTTYHATFUEBKA-UHFFFAOYSA-N	213.249	1.272	70	40	BDIB	
CC(C)=C1[C@@H]2C=C[C@@H]1[C@@H]1C(=O)NC(=O)[C@H]12	217432545	MOUDGOQQAUDGFJ-YIKMNZTOSA-N	203.241	1.027	70	40	BDIB	
Cc1nc(S(=O)(=O)Cl)c(C)s1	97971478	SENSQPNCXAIZGY-UHFFFAOYSA-N	211.695	1.687	70	40	BDIB	in-vitro
O=S(=O)(F)c1nnc(-c2ccccc2)s1	101448260	TZGLSNILSROFCT-UHFFFAOYSA-N	244.272	1.863	70	40	BDIB	
COc1ccc(C)c(S(=O)(=O)Cl)c1	97972518	DTGBTMFXIKYZFP-UHFFFAOYSA-N	220.677	1.931	70	40	BDIB	in-vitro
O=C(O)c1ccc(O)c(S(=O)(=O)Cl)c1	100508900	UKNHBVJEQDQGIH-UHFFFAOYSA-N	236.632	1.018	70	40	BDIB	
COCCCNC(=O)Cc1cc(C)ccc1N	217784282	LTOSEEBSGUMKIX-UHFFFAOYSA-N	236.315	1.272	70	40	BDIB	
O=[N+]([O-])c1ccc(S(=O)(=O)Cl)s1	100003151	QEEBODDKEOIYLQ-UHFFFAOYSA-N	227.650	1.584	70	40	BDIB	in-vitro
O=[N+]([O-])c1csc(S(=O)(=O)Cl)c1	100003152	WUMGHGGPZKZYNN-UHFFFAOYSA-N	227.650	1.584	70	40	BDIB	in-vitro
CC(C)Cn1cc(C2=NN=C(O)[C@@H]3C[C@@H]23)cn1	217833118	BTIJETLPYSFUBQ-NXEZZACHSA-N	232.287	1.849	70	40	BDIB	
CC(C)n1cc(C2=NN=C(O)[C@@H]3C[C@@H]23)cn1	217832783	UYJBWSWEQYCROL-RKDXNWHRSA-N	218.260	1.774	70	40	BDIB	
CC(=O)c1ccc(O)c(S(=O)(=O)Cl)c1	97956504	VEYMPVDDUWFNLS-UHFFFAOYSA-N	234.660	1.522	70	40	BDIB	
O=S(=O)(Cl)c1cnccc1CF	257197838	KOLWJWIAIZRKON-UHFFFAOYSA-N	209.629	1.479	70	40	BDIB	
N=C(N)C1CCN(C(=O)c2ccccc2F)CC1	217356711	SXJJPYKOKBYWEF-UHFFFAOYSA-N	249.289	1.614	70	40	BDIB	
O=S(=O)(F)c1ccc(S(=O)(=O)F)cc1	60096976	WSNGLYATTLTWAY-UHFFFAOYSA-N	242.224	1.003	70	40	BDIB	
COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)Cl	97957406	LSDFFWKOHJPAMC-RQJHMYQMSA-N	240.708	1.287	70	40	BDIB	in-vitro
COc1cc(C#N)ccc1S(=O)(=O)Cl	97971571	SHEGIUODCWBLSZ-UHFFFAOYSA-N	231.660	1.494	70	40	BDIB	in-vitro
O=S(=O)(F)c1cccc2cccnc12	103525290	YMQHAOLTDPPEJE-UHFFFAOYSA-N	211.217	1.893	70	40	BDIB	
COC(=O)c1ccc(S(=O)(=O)Cl)c(C)c1	59702422	GESFZPOWQXMAKN-UHFFFAOYSA-N	248.687	1.709	70	40	BDIB	
CCOCCCNC(=O)CC1CCN(C)CC1	216895069	KEDMNKXNVKIOOB-UHFFFAOYSA-N	242.363	1.261	70	40	BDIB	
N=C(N)CC(=O)Nc1cccc(C(F)(F)F)c1	217746417	NVFMJLAAGWPQFF-UHFFFAOYSA-N	245.204	1.970	70	40	BDIB	
NC(=O)Cc1coc(/C=C/c2ccccc2)n1	218702039	GSQPHCPWWPUIRO-VOTSOKGWSA-N	228.251	1.873	70	40	BDIB	
COc1cncc(S(=O)(=O)Cl)c1	101779603	MEWACWWEPVHVOM-UHFFFAOYSA-N	207.638	1.018	70	40	BDIB	in-vitro
O=S(=O)(Cl)c1cccc2[nH]ncc12	104539175	AFMZKAGDZCDCSA-UHFFFAOYSA-N	216.649	1.490	70	40	BDIB	
CN(C=O)c1ccc(S(=O)(=O)Cl)cc1	59099990	AYJALVNUJXJFMH-UHFFFAOYSA-N	233.676	1.207	70	40	BDIB	
CCn1nc(C)c(Cl)c1S(=O)(=O)Cl	100804860	DNOOQWPQPNBBSO-UHFFFAOYSA-N	243.115	1.792	70	40	BDIB	
C[C@@H]1CCCN(CCCS(=O)(=O)Cl)C1	110752657	MRPHQVWLPVXLHK-SECBINFHSA-N	239.768	1.677	70	40	BDIB	
CCOC(=O)c1ccc(=O)n(CC)c1C	218271249	IITIYHWPBCUFOF-UHFFFAOYSA-N	209.245	1.353	70	40	BDIB	
NC(=O)CCc1ccc(S(=O)(=O)Cl)cc1	100010305	NZPPURCCNNAQQN-UHFFFAOYSA-N	247.703	1.032	70	40	BDIB	
CCn1c(S(=O)(=O)Cl)cnc1C	100645766	RPICWWZHRTYIJD-UHFFFAOYSA-N	208.670	1.139	70	40	BDIB	
O=S(=O)(F)CCSC1=NCCS1	100812161	VACSCKSQVRVOLO-UHFFFAOYSA-N	229.323	1.122	70	40	BDIB	
Cc1cc(S(=O)(=O)Cl)nn1C(C)C	100805344	XKQXGASDHQOLJV-UHFFFAOYSA-N	222.697	1.700	70	40	BDIB	
COC(=O)[C@H]1CCCC[C@@H]1S(=O)(=O)Cl	97957407	LSDFFWKOHJPAMC-BQBZGAKWSA-N	240.708	1.287	70	40	BDIB	in-vitro
CN1CCC(C(=O)N2CCCC(C)(C)C2)CC1	216922639	ARGXXHBIXOKKTE-UHFFFAOYSA-N	238.375	1.977	70	40	BDIB	
CCc1ccc(OCC(=N)N)c(OC)c1	217374034	IYZGYWMWOUDZLQ-UHFFFAOYSA-N	208.261	1.572	70	40	BDIB	
COc1cccc(OC)c1S(=O)(=O)Cl	59145418	KLVZDQNSNTUNGU-UHFFFAOYSA-N	236.676	1.631	70	40	BDIB	
CCC(C)(C)NC(=O)[C@@H]1CCCN(C)C1	216917596	IVQXOYUZGMIQMC-SNVBAGLBSA-N	212.337	1.633	70	40	BDIB	
CC(=O)Nc1cc(S(=O)(=O)Cl)ccc1C	100636634	BMNVFEOZSRZGOU-UHFFFAOYSA-N	247.703	1.881	70	40	BDIB	in-vitro
CCc1nn(CC)cc1S(=O)(=O)Cl	103635880	HCBFCFZSIJPDNY-UHFFFAOYSA-N	222.697	1.393	70	40	BDIB	
COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)Cl	97957408	LSDFFWKOHJPAMC-RNFRBKRXSA-N	240.708	1.287	70	40	BDIB	in-vitro
CCOC(=O)c1cccc(S(=O)(=O)Cl)c1	100102890	OQBZLUKCZKZQFV-UHFFFAOYSA-N	248.687	1.791	70	40	BDIB	
Cc1cc(CO)c(C)n1C[C@@H]1CCCO1	161236606	XLAOBJSRHCQPLM-LBPRGKRZSA-N	209.289	1.776	70	40	BDIB	
CC(C)O[SiH](OC(C)C)OC(C)C	196581489	JGABXROLARSPEN-UHFFFAOYSA-N	206.358	1.979	70	40	BDIB	
CCCn1c(C)c(C(=O)OCC)ccc1=O	218271403	DDDYHTZJYXACFV-UHFFFAOYSA-N	223.272	1.743	70	40	BDIB	
COC(=N)c1ncc(C(F)(F)F)cn1	218730275	OTZTWDXLFHZAMY-UHFFFAOYSA-N	205.139	1.467	70	40	BDIB	
COC(=O)c1csc(S(=O)(=O)Cl)c1	59250408	IRUQLKHEXLBHKZ-UHFFFAOYSA-N	240.689	1.462	70	40	BDIB	
Cc1cc(OCC(=N)N)ccc1NC(=O)C(C)C	217372145	HOUKRQGJSHRVQK-UHFFFAOYSA-N	249.314	1.904	70	40	BDIB	
COc1cccc(S(=O)(=O)Cl)n1	101779493	BKOAQFXWRFFJQZ-UHFFFAOYSA-N	207.638	1.018	70	40	BDIB	
Cc1cc(C(=O)N2[C@H]3C=CC[C@H]2CC3)n(C)n1	218751183	LOKRAIOLLHXRBO-QWRGUYRKSA-N	231.299	1.662	70	40	BDIB	
COc1cc(F)ccc1S(=O)(=O)Cl	100055559	IDGYBLMLBADGPP-UHFFFAOYSA-N	224.640	1.762	70	40	BDIB	
O=S(=O)(Cl)CCc1ccc2c(c1)CCO2	100502693	QSMPCCSLJVXVBY-UHFFFAOYSA-N	246.715	1.733	70	40	BDIB	
O=C(Nc1cnn(CC2CCOCC2)c1)C1CC1	218204945	BHZPQEKZVRFDGY-UHFFFAOYSA-N	249.314	1.658	70	40	BDIB	
N#CC1(CS(=O)(=O)Cl)CCCC1	97956510	RQYHNUXCRCHDFF-UHFFFAOYSA-N	207.682	1.639	70	40	BDIB	in-vitro
O=[N+]([O-])c1cc(S(=O)(=O)F)ccc1F	100503119	FETWBEYHAMXIHF-UHFFFAOYSA-N	223.156	1.392	70	40	BDIB	
COc1cc2c(c3c1OCO3)C=NCC2	216749639	YOIMMWWVBDCBTA-UHFFFAOYSA-N	205.213	1.399	70	40	BDIB	
Cc1ccc(CC(=O)N2CCCC2)c(N)c1	217777930	ARSPDJJOLMCDAK-UHFFFAOYSA-N	218.300	1.742	70	40	BDIB	
Cc1cc(C)c(S(=O)(=O)Cl)c(C)n1	59213235	NYBDJVPRNCAKOW-UHFFFAOYSA-N	219.693	1.934	70	40	BDIB	
O=S(=O)(F)c1cccc(C(F)(F)F)n1	1776011362	NRZMSUDBMUTBCC-UHFFFAOYSA-N	229.154	1.759	70	40	BDIB	
O=S(=O)(F)c1cccc2nsnc12	105309528	CUTKFIGCDQSHGX-UHFFFAOYSA-N	218.234	1.350	70	40	BDIB	
N#CC1(COS(=O)(=O)C(F)(F)F)CCC1	110753778	LFGLUGMZERGKHC-UHFFFAOYSA-N	243.206	1.546	70	40	BDIB	
Cc1noc(-c2ccc(S(=O)(=O)Cl)o2)n1	100003513	KXHDWKRTJLKALK-UHFFFAOYSA-N	248.647	1.566	70	40	BDIB	
O=S(=O)(F)c1ccc2[nH]ncc2c1	100650652	OPAACIDWPPLTNQ-UHFFFAOYSA-N	200.194	1.221	70	40	BDIB	in-vitro
CC(=O)Nc1ccc(O)c(S(=O)(=O)Cl)c1	100224664	NPYGYJKBGAZWNC-UHFFFAOYSA-N	249.675	1.278	70	40	BDIB	
CCc1nnc(CN(CC)C(C)(C)CO)s1	159837800	VRCNDIJLTOCCGG-UHFFFAOYSA-N	243.376	1.693	70	40	BDIB	
COc1cc(C(=O)O)ccc1S(=O)(=O)F	103613634	MMGFERAHRYVWRR-UHFFFAOYSA-N	234.204	1.052	70	40	BDIB	
C[C@@H]1Cc2ccccc2N1Cc1nncn1C	160666563	SQZBLQAPQJHVBQ-SNVBAGLBSA-N	228.299	1.766	70	40	BDIB	
O=C(NCC(F)(F)F)[C@H]1CCCCO1	160804369	RRTWHNULZQSCMZ-ZCFIWIBFSA-N	211.183	1.234	70	40	BDIB	
CC(=O)NC[C@H]1CCCN1c1nccs1	217721224	RGYFAWKMJMNOGQ-SECBINFHSA-N	225.317	1.248	70	40	BDIB	
Cc1nn(C)c(S(=O)(=O)Cl)c1Cl	100804861	UWZZQKFFJSYPAL-UHFFFAOYSA-N	229.088	1.309	70	40	BDIB	
C[C@H](CCc1ccccc1)NC(=O)CC(=N)N	217753222	TWWPPHNCISJSBG-SNVBAGLBSA-N	233.315	1.450	70	40	BDIB	
O=C1CCc2cc(S(=O)(=O)Cl)ccc21	100568142	NJSUBYHQKUOESQ-UHFFFAOYSA-N	230.672	1.743	70	40	BDIB	in-vitro
c1ccc(CN2CCO[C@@H]3COC[C@H]32)cc1	218036354	TWKCBRNWMOQQNX-CHWSQXEVSA-N	219.284	1.286	70	40	BDIB	
CCC(=O)Nc1cc(C)ccc1OCC(=N)N	217373169	PVNCDZNVBIQDLU-UHFFFAOYSA-N	235.287	1.658	70	40	BDIB	
CC1(C)C(=O)Nc2ccc(S(=O)(=O)F)cc21	105881178	VHYBHXKBAJSOAR-UHFFFAOYSA-N	243.259	1.575	70	40	BDIB	
Nc1cc(S(=O)(=O)F)cc(Cl)c1O	104161862	PKWLEMBXKKJVCQ-UHFFFAOYSA-N	225.628	1.286	70	40	BDIB	
COc1cc(F)cc(F)c1S(=O)(=O)Cl	100636710	SABUOZCZXYQATB-UHFFFAOYSA-N	242.630	1.901	70	40	BDIB	in-vitro
COc1cccc(CCS(=O)(=O)Cl)c1	100647158	LRHFESHSAJFLOH-UHFFFAOYSA-N	234.704	1.806	70	40	BDIB	
O=[N+]([O-])c1ccc(S(=O)(=O)F)c(Cl)c1	104130603	DWBOTHFCTNCQIJ-UHFFFAOYSA-N	239.611	1.906	70	40	BDIB	
CNC(=O)Nc1ccc(S(=O)(=O)Cl)cc1	95697870	AUVKUNSZASYBOE-UHFFFAOYSA-N	248.691	1.365	70	40	BDIB	
O=S(=O)(Cl)c1cnc2n1CCCC2	100501833	WOCAAWOBBCHYDI-UHFFFAOYSA-N	220.681	1.147	70	40	BDIB	in-vitro
N=C(N)CC(=O)N[C@H]1CCCc2ccccc21	217754785	RRISWYQOQOKGLR-NSHDSACASA-N	231.299	1.506	70	40	BDIB	
N=C(N)CC(=O)Nc1ccc(F)c(F)c1	217755432	VGZDFLHTQRATLR-UHFFFAOYSA-N	213.187	1.229	70	40	BDIB	
Cc1nc(S(=O)(=O)Cl)ccc1Cl	103599859	LQWMAVRNJCDLRU-UHFFFAOYSA-N	226.084	1.971	70	40	BDIB	in-vitro
O=C(O)c1cc(F)cc(S(=O)(=O)Cl)c1	100428973	QMIVFRSZWFNOFF-UHFFFAOYSA-N	238.623	1.451	70	40	BDIB	
C[C@@H](NC(=O)CC(=N)N)c1ccc(Cl)cc1	217753721	NUWVITJJONFJBB-SSDOTTSWSA-N	239.706	1.843	70	40	BDIB	
Cc1c(C(=O)O)cccc1S(=O)(=O)F	238535374	AMWOELMEHXSTFZ-UHFFFAOYSA-N	218.205	1.351	70	40	BDIB	
O=C(O)c1ccc(S(=O)(=O)F)c(Cl)c1	104169048	JGXQPRQNKIOTQF-UHFFFAOYSA-N	238.623	1.696	70	40	BDIB	
CN(C)c1cccc([SiH2]C(F)(F)F)c1F	169808298	DQGVHRMBYXOQQD-UHFFFAOYSA-N	237.272	1.206	70	40	BDIB	
N#CCc1ccc(S(=O)(=O)Cl)cc1F	133905775	IKBNPCJCEGTZIA-UHFFFAOYSA-N	233.651	1.819	70	40	BDIB	
CCN(CC)C(=O)Cc1ccc(C)cc1N	217777021	OISFDSGCQRVHDX-UHFFFAOYSA-N	220.316	1.988	70	40	BDIB	
CCn1nc(C)c(S(=O)(=O)Cl)c1F	238850465	BTMGNGFKYBSAGI-UHFFFAOYSA-N	226.660	1.278	70	40	BDIB	
O=[N+]([O-])c1cc(S(=O)(=O)F)ccc1S	104162083	RTVUOWLQKXUFKO-UHFFFAOYSA-N	237.233	1.542	70	40	BDIB	
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Cl	59796794	WREICNIHNBOUJV-UHFFFAOYSA-N	235.648	1.831	70	40	BDIB	
O=C(NC1CCOCC1)c1ccncc1F	161390936	SAOKOBKQWADHGW-UHFFFAOYSA-N	224.235	1.130	70	40	BDIB	
CC1CC(COS(=O)(=O)C(F)(F)F)C1	110753554	UBXSISUDUFISCV-UHFFFAOYSA-N	232.223	1.899	70	40	BDIB	
CC(C)C(=O)Nc1ccccc1OCC(=N)N	217370509	HHBFUEJKXNQLNR-UHFFFAOYSA-N	235.287	1.596	70	40	BDIB	
COc1ccc(C(C)=O)cc1S(=O)(=O)Cl	100274629	UKLGNNCUSXYNLE-UHFFFAOYSA-N	248.687	1.825	70	40	BDIB	
COc1ccc(CS(=O)(=O)Cl)cn1	103595380	LTCSMJFHFISXDP-UHFFFAOYSA-N	221.665	1.159	70	40	BDIB	
Cn1nc(C(F)F)cc1S(=O)(=O)Cl	100804930	WVBYLZBJKDWXBT-UHFFFAOYSA-N	230.623	1.285	70	40	BDIB	
O=S(=O)(Cl)C12CC(Cl)(C1)C2	104535308	DIBADMPGEVJLRT-UHFFFAOYSA-N	201.074	1.469	70	40	BDIB	
CCOC(=O)c1ccc(NC(=O)CC(=N)N)cc1	217748809	WFQUAFUAUJZOSE-UHFFFAOYSA-N	249.270	1.128	70	40	BDIB	
COc1ccc(S(=O)(=O)Cl)cc1C#N	104534193	OWODRNNKFCAJHP-UHFFFAOYSA-N	231.660	1.494	70	40	BDIB	
O=C(NCCSC1CCOCC1)C1CC1	217698422	MQJAMHPSMGGADA-UHFFFAOYSA-N	229.345	1.425	70	40	BDIB	
Cc1c(S(=O)(=O)F)ccc(O)c1[N+](=O)[O-]	104161876	AQKUPMORZULSMZ-UHFFFAOYSA-N	235.192	1.267	70	40	BDIB	
O=S(=O)(Cl)c1cnn(CC2CCC2)c1	103695276	ILZHLWXKMUQILK-UHFFFAOYSA-N	234.708	1.611	70	40	BDIB	
Cc1cccc(NC(=O)CC(=N)N)c1C	217742305	KLQNFFNYZGTSDO-UHFFFAOYSA-N	205.261	1.568	70	40	BDIB	
Cc1cccc(NC(=O)c2cc(=O)nc[nH]2)c1C	217793695	BLPMRNDZQYCRNI-UHFFFAOYSA-N	243.266	1.639	70	40	BDIB	
Cc1nn(C)c(C(F)F)c1S(=O)(=O)Cl	408715317	ASRJPJDMPCGEEW-UHFFFAOYSA-N	244.650	1.594	70	40	BDIB	
C[C@@H]1Cc2cc(S(=O)(=O)Cl)ccc2O1	59109768	YVCGMKIEGXZBRZ-ZCFIWIBFSA-N	232.688	1.938	70	40	BDIB	
C[Si](C)(C)O[SiH2]O[Si](C)(C)C	225752195	JHKBMYNOLVYFHD-UHFFFAOYSA-N	208.482	1.688	70	40	BDIB	
COC[C@@H](C)OC(=O)Cc1ccc(C)cc1N	217775982	WFAHTZPZLKIGHW-SNVBAGLBSA-N	237.299	1.698	70	40	BDIB	
C[C@H]1Cc2cc(S(=O)(=O)Cl)ccc2O1	59109772	YVCGMKIEGXZBRZ-LURJTMIESA-N	232.688	1.938	70	40	BDIB	
Cc1ccc(C(=O)O)cc1S(=O)(=O)F	103525305	BANDUEHUKCIKIF-UHFFFAOYSA-N	218.205	1.351	70	40	BDIB	
O=S(=O)(OCCCl)C(F)(F)F	43439661	OJEPTKFBWNNVHK-UHFFFAOYSA-N	212.576	1.091	70	40	BDIB	
C/C=C/C(=O)Nc1cnn(CC2CCOCC2)c1	218205660	FMRBRNBDBRVHQL-NSCUHMNNSA-N	249.314	1.824	70	40	BDIB	
CC[C@H](CCOC)CS(=O)(=O)Cl	103704461	LWIOSBGKSPDGLQ-SSDOTTSWSA-N	214.714	1.618	70	40	BDIB	
COC(=O)c1ccc(C)cc1OCC(=N)N	217374556	UTHIHIQIFRRNCE-UHFFFAOYSA-N	222.244	1.096	70	40	BDIB	
Cc1c(S(=O)(=O)Cl)c(Cl)nn1C	104536650	HMMBADPPIXZONQ-UHFFFAOYSA-N	229.088	1.309	70	40	BDIB	
CN(C)C(=O)c1ccc(S(=O)(=O)Cl)cc1	100509822	APKXHLLIVVSYMP-UHFFFAOYSA-N	247.703	1.316	70	40	BDIB	
O=C1NCc2cc(S(=O)(=O)Cl)ccc2O1	100469154	BFJZXQYCVVUZGT-UHFFFAOYSA-N	247.659	1.216	70	40	BDIB	
O=S(=O)(Cl)c1ccc2nsnc2c1	95681692	PFLLNLOVUWBRRX-UHFFFAOYSA-N	234.689	1.619	70	40	BDIB	
COC(=O)c1c(C)cccc1S(=O)(=O)Cl	59340957	TWTIKIBYZKYPLP-UHFFFAOYSA-N	248.687	1.709	70	40	BDIB	in-vitro
C[S@](=O)c1ncncc1C(F)(F)F	218729360	VQLORTVMMQFMTH-ZDUSSCGKSA-N	210.180	1.233	70	40	BDIB	
COC(=O)C1=C(S(=O)(=O)Cl)CCCC1	100633631	ACLKEPHVZGCZEM-UHFFFAOYSA-N	238.692	1.556	70	40	BDIB	
CCOCC1(c2nc(C)cc(O)n2)CC1	217795689	LPJYWSQUPIGNMC-UHFFFAOYSA-N	208.261	1.559	70	40	BDIB	
CCCn1cc(S(=O)(=O)Cl)c(CC)n1	103635893	YBVJEBOIWPATIC-UHFFFAOYSA-N	236.724	1.783	70	40	BDIB	
CC(=O)c1cccc(S(=O)(=O)F)c1	95738317	NEVFJPDNDDMQGD-UHFFFAOYSA-N	202.206	1.547	70	40	BDIB	
C[C@@H]1C(=O)Nc2ccc(S(=O)(=O)Cl)cc21	100129824	JIIBYPZOZQAHSR-YFKPBYRVSA-N	245.687	1.670	70	40	BDIB	
Cc1cc(S(=O)(=O)Cl)cc(C)n1	103533714	UHFNEOYZKVGGDV-UHFFFAOYSA-N	205.666	1.626	70	40	BDIB	
O=[N+]([O-])c1ccc(O)c(S(=O)(=O)Cl)c1	104543903	YGZAEQDOCPIUPR-UHFFFAOYSA-N	237.620	1.228	70	40	BDIB	
CCOc1ccc(C#N)cc1S(=O)(=O)Cl	217793840	IRKABUVNIXCYFD-UHFFFAOYSA-N	245.687	1.884	70	40	BDIB	
CC(C)(C)n1cc(CS(=O)(=O)Cl)cn1	227087736	IXAOYBBDRYIRQZ-UHFFFAOYSA-N	236.724	1.707	70	40	BDIB	
CS(=O)(=O)NCCOc1ccccc1Cl	160064418	IVDGGGGRJDWSRK-UHFFFAOYSA-N	249.719	1.268	70	40	BDIB	
COc1ccc(S(=O)(=O)Cl)cc1NC=O	59095508	NUYINCBMMDZRIL-UHFFFAOYSA-N	249.675	1.191	70	40	BDIB	
CCOc1ccc(S(=O)(=O)Cl)cc1C#N	104543802	CERPSMVZTHTMIQ-UHFFFAOYSA-N	245.687	1.884	70	40	BDIB	
Cc1ccc(N)c(CC(=O)NCC2CC2)c1	217787097	OUHHJNIAMAUOBW-UHFFFAOYSA-N	218.300	1.646	70	40	BDIB	
COc1ccc(F)c(S(=O)(=O)Cl)c1F	103624719	CMGSWXSQYXKQHV-UHFFFAOYSA-N	242.630	1.901	70	40	BDIB	
CC(C)CCS(=O)(=O)Br	103603615	SEMIOLZPLZGSRR-UHFFFAOYSA-N	215.112	1.757	70	40	BDIB	
O=S(=O)(F)c1cc(C(F)(F)F)ccn1	1535627915	GNADZOZBEUSXGR-UHFFFAOYSA-N	229.154	1.759	70	40	BDIB	
O=S(=O)(F)c1cccnc1Br	1535627945	IYMFZEIGMDPLMI-UHFFFAOYSA-N	240.053	1.502	70	40	BDIB	
COCC[C@H](C)CS(=O)(=O)Cl	103704570	XSLSXACFKCJOFE-LURJTMIESA-N	200.687	1.228	70	40	BDIB	
Cc1ccc(NC(=O)CC(=N)N)c(C)c1	217742421	QASKXCRTMFRTLS-UHFFFAOYSA-N	205.261	1.568	70	40	BDIB	
Cc1ccnc(Cl)c1S(=O)(=O)Cl	100215523	OXCJAYGONSGGQJ-UHFFFAOYSA-N	226.084	1.971	70	40	BDIB	
Cc1ccc(N)c(CC(=O)N2CCCC2)c1	217784410	QRKNSDQXIDLQQC-UHFFFAOYSA-N	218.300	1.742	70	40	BDIB	
O=S(=O)(F)N1CCC[C@]2(C1)CC2(F)F	1776011201	MJMDLLGYPIQWPI-ZCFIWIBFSA-N	229.223	1.322	70	40	BDIB	
O=S(=O)(Cl)c1cccc2c1OCCC2	100062831	ICMATZNLBWDEAR-UHFFFAOYSA-N	232.688	1.939	70	40	BDIB	in-vitro
Cc1cc(S(=O)(=O)Cl)n(CC(C)C)n1	100804779	WIABXQPBHUWBFP-UHFFFAOYSA-N	236.724	1.775	70	40	BDIB	
COC(=O)c1cc(S(=O)(=O)Cl)ccc1C	59261969	SXIPOHPNRRSUKP-UHFFFAOYSA-N	248.687	1.709	70	40	BDIB	
CC(=O)NCCc1ccc(S(=O)(=O)F)cc1	104169052	KIRUPWKQWOQBCT-UHFFFAOYSA-N	245.275	1.023	70	40	BDIB	
Cc1coc(C)c1/C=C/S(C)(=O)=O	217754697	KTZWAUWIZNBIOQ-SNAWJCMRSA-N	200.259	1.912	70	40	BDIB	
CCNC(=N)N1CCS[C@H](CC)C1	160199118	CCNAUYDJKGPSKW-MRVPVSSYSA-N	201.339	1.358	70	40	BDIB	
C[S@@](=O)c1ncncc1C(F)(F)F	218729278	VQLORTVMMQFMTH-CYBMUJFWSA-N	210.180	1.233	70	40	BDIB	
N=C(N)CC(=O)Nc1ccc(F)cc1F	217745890	LBWIYZLOFZQPMX-UHFFFAOYSA-N	213.187	1.229	70	40	BDIB	
O=S(=O)(Cl)c1ccn(C2CC2)n1	721883089	PMUWFRGFSFXHQJ-UHFFFAOYSA-N	206.654	1.146	70	40	BDIB	
C[C@H]1CN(CCOC(=O)N(C)C)C(C)(C)CO1	160252439	SYWKBMZZNCWIDO-JTQLQIEISA-N	244.335	1.184	70	40	BDIB	
O=C(NCC[C@H](O)c1ccsc1)C1CC1	217523920	JGDVFXHIQFPPMX-JTQLQIEISA-N	225.313	1.698	70	40	BDIB	
Cc1ccc(CC(=O)NCC(C)C)c(N)c1	217781240	TZAQQFOTXQGVES-UHFFFAOYSA-N	220.316	1.892	70	40	BDIB	
Cc1cc(C)n(-c2nn3c(C)nnc3s2)n1	216755913	WWAXBDABUHQDSA-UHFFFAOYSA-N	234.288	1.297	70	40	BDIB	
O=S(=O)(F)c1nc(C2CC2)cs1	1535631942	AKIHQNVRAKDZON-UHFFFAOYSA-N	207.251	1.679	70	40	BDIB	
CCCn1ccc(CS(=O)(=O)Cl)n1	110765121	YRJASSZHTCFGHO-UHFFFAOYSA-N	222.697	1.362	70	40	BDIB	
Nc1ccc(S(=O)(=O)F)cc1Cl	95708053	PYRUUCYNAXPEBA-UHFFFAOYSA-N	209.629	1.580	70	40	BDIB	
Cc1cc(=O)[nH]c(=O)n1Cc1ccc(F)cc1	218293893	QLDOZLPBJDUMCY-UHFFFAOYSA-N	234.230	1.032	70	40	BDIB	
N#Cc1cc(F)cc(S(=O)(=O)Cl)c1	103600058	ZQEROTOETXELJU-UHFFFAOYSA-N	219.624	1.625	70	40	BDIB	in-vitro
O=S(=O)(F)N1CCC[C@@H](C(F)(F)F)C1	1776011254	WKNWTZAFWBGCDJ-RXMQYKEDSA-N	235.202	1.475	70	40	BDIB	
N#Cc1cc(F)ccc1S(=O)(=O)Cl	100655258	KXWBPZIFIFCHHG-UHFFFAOYSA-N	219.624	1.625	70	40	BDIB	in-vitro
Cn1ncc2cc(S(=O)(=O)Cl)ccc21	104151151	FDVGNMDRXLULKX-UHFFFAOYSA-N	230.676	1.501	70	40	BDIB	
O=C(NS(=O)(=O)Cl)OCc1ccccc1	100491379	BCSYQDOKTDVISP-UHFFFAOYSA-N	249.675	1.396	70	40	BDIB	
N=C(N)CC(=O)N[C@@H]1CCCc2ccccc21	217754699	RRISWYQOQOKGLR-LLVKDONJSA-N	231.299	1.506	70	40	BDIB	
COCCCc1cc(O)nc(C2CC2)n1	217786703	JLNOYBVYDHCYNH-UHFFFAOYSA-N	208.261	1.639	70	40	BDIB	
COCCCc1cc(O)nc(C(C)C)n1	217785708	IVBMPDZMIPWVGW-UHFFFAOYSA-N	210.277	1.885	70	40	BDIB	
COc1cc(S(=O)(=O)Cl)ccn1	101779497	ZDZZVEAUKAMZPE-UHFFFAOYSA-N	207.638	1.018	70	40	BDIB	
O=Cc1cccc(S(=O)(=O)Cl)c1	100387170	VXITZYGVHSIVEQ-UHFFFAOYSA-N	204.634	1.427	70	40	BDIB	in-vitro
O=S(=O)(Cl)c1cnc(O)c(Cl)c1	104531747	WFSBMVUZPSEWEN-UHFFFAOYSA-N	228.056	1.368	70	40	BDIB	
C[C@H](c1ccccn1)S(=O)(=O)Cl	100247515	FJUVAFICNGTQEW-ZCFIWIBFSA-N	205.666	1.711	70	40	BDIB	
N=C(N)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1	217358444	QQXURUWZWNZAKE-SNVBAGLBSA-N	249.289	1.614	70	40	BDIB	
Fc1ccc(Cn2cc(C3OCCO3)nn2)cc1	216748432	VITPOQRDGBRXOB-UHFFFAOYSA-N	249.245	1.511	70	40	BDIB	
O=S(=O)(Cl)c1c[nH]c2ccncc12	211393245	RHHUYHKECCVVKO-UHFFFAOYSA-N	216.649	1.490	70	40	BDIB	
COC(=O)c1ncncc1C(F)(F)F	218731115	CZBDYGZEJWAHCS-UHFFFAOYSA-N	206.123	1.282	70	40	BDIB	
Cc1cc(NC(=O)[C@H]2CCCCO2)sn1	159884899	HTOALDLHDXSGQM-MRVPVSSYSA-N	226.301	1.959	70	40	BDIB	
CCc1nn(C(C)C)cc1S(=O)(=O)Cl	103635886	YDQWYRZJDHHTTC-UHFFFAOYSA-N	236.724	1.954	70	40	BDIB	
CN1CCc2ccc(S(=O)(=O)Cl)cc21	100442698	ORDYBOFQRJTHRV-UHFFFAOYSA-N	231.704	1.606	70	40	BDIB	in-vitro
Cc1nc(Cl)ccc1S(=O)(=O)Cl	100102266	IMKNTDZQBJFGQR-UHFFFAOYSA-N	226.084	1.971	70	40	BDIB	in-vitro
O=C1CCc2cc(S(=O)(=O)Cl)ccc2O1	100464658	BYQFSTMVHKRAJC-UHFFFAOYSA-N	246.671	1.466	70	40	BDIB	
C[C@H](F)COS(=O)(=O)C(F)(F)F	223308971	NXQZTJSQOZFPLK-VKHMYHEASA-N	210.148	1.211	70	40	BDIB	
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Cl	100574651	BLIRLAVMSGHPBY-UHFFFAOYSA-N	235.648	1.831	70	40	BDIB	
O=S(=O)(F)N1CCC[C@@]2(C1)CC2(F)F	1776011200	MJMDLLGYPIQWPI-LURJTMIESA-N	229.223	1.322	70	40	BDIB	
Cc1cc(O)nc(C2(COC(C)C)CC2)n1	217795775	KHJVGCSTVMDHSM-UHFFFAOYSA-N	222.288	1.947	70	40	BDIB	
Nc1ccc(S(=O)(=O)F)c(Cl)c1	100453794	LCJHOCQPXFYMHA-UHFFFAOYSA-N	209.629	1.580	70	40	BDIB	
Cc1ccc(O)c(S(=O)(=O)Cl)c1	100506598	XZKHPHOPDHZLLU-UHFFFAOYSA-N	206.650	1.628	70	40	BDIB	in-vitro
O=S(=O)(Cl)CCc1ccccn1	100575477	OSDLHOQWZLUUFQ-UHFFFAOYSA-N	205.666	1.193	70	40	BDIB	in-vitro
O=S(=O)(OCC1CCC1)C(F)(F)F	110753550	UTGKLVXLAQGXQO-UHFFFAOYSA-N	218.196	1.653	70	40	BDIB	
COC(=O)c1occc1CS(=O)(=O)Cl	59530747	WZPCMSYQBCVOCG-UHFFFAOYSA-N	238.648	1.135	70	40	BDIB	in-vitro
O=S(=O)(Cl)c1ccc(Cl)nc1F	104551005	FUQJXIKKKPABMC-UHFFFAOYSA-N	230.047	1.802	70	40	BDIB	in-vitro
Cc1ccc(NC(=O)CC(=N)N)cc1C	217742855	CTKHQCBXFQIGPA-UHFFFAOYSA-N	205.261	1.568	70	40	BDIB	
N=C(N)[C@H]1CCCN(C(=O)c2ccccc2)C1	217357961	WIALZDYRXIDBJM-NSHDSACASA-N	231.299	1.475	70	40	BDIB	
COC(=O)c1ccc2nn(C(C)C)nc2c1	218253716	XKFHALCQZMZPTM-UHFFFAOYSA-N	219.244	1.799	70	40	BDIB	
CC(=O)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1	217806891	RZTIRQLSQZDIEU-JTQLQIEISA-N	249.314	1.748	70	40	BDIB	
CCn1cc(C2=NN=C(O)[C@H]3C[C@@H]23)cn1	217832510	ITQJIBNGQATVDI-SFYZADRCSA-N	204.233	1.213	70	40	BDIB	
O=C(O)/C=C/c1ccc(S(=O)(=O)F)cc1	104087301	KGSYLAOACYAPDO-ZZXKWVIFSA-N	230.216	1.443	70	40	BDIB	
CO[C@H]1CCCC[C@@H]1S(=O)(=O)Cl	88251066	SZSTYCAMYADOFB-BQBZGAKWSA-N	212.698	1.513	70	40	BDIB	
Nc1nc2ccc(S(=O)(=O)Cl)cc2s1	100055477	TZUVGYNZHMPZHG-UHFFFAOYSA-N	248.716	1.806	70	40	BDIB	
Cc1c(Cl)cccc1NC(=O)CC(=N)N	217744644	BGOJGLTXAGVBRO-UHFFFAOYSA-N	225.679	1.913	70	40	BDIB	
Cc1cc(C(=O)Nc2ccn3nccc3c2)no1	217956198	SXLGXURTBYVYDS-UHFFFAOYSA-N	242.238	1.883	70	40	BDIB	
Cc1ccc(S(=O)(=O)Cl)cc1C(N)=O	100517669	FUNYLTYTTCGXAP-UHFFFAOYSA-N	233.676	1.021	70	40	BDIB	
O=S(=O)(F)N1CCC(C(F)(F)F)CC1	1776011224	RLVHIOLNTCIVDI-UHFFFAOYSA-N	235.202	1.475	70	40	BDIB	
COc1ccc(Cl)cc1NC(=O)CC(=N)N	217748271	PUWLPSAMIYNUQX-UHFFFAOYSA-N	241.678	1.613	70	40	BDIB	
CCC(=O)Nc1cccc(OCC(=N)N)c1	217369807	YLSMPZJFDGGSBD-UHFFFAOYSA-N	221.260	1.350	70	40	BDIB	
N=C(N)[C@H]1CCCN(C(=O)c2ccccc2F)C1	217358689	UVKFHYBXMJVAAG-VIFPVBQESA-N	249.289	1.614	70	40	BDIB	
COc1ccnc(Cl)c1S(=O)(=O)Cl	104539547	VMRSWUWJCBPTCB-UHFFFAOYSA-N	242.083	1.671	70	40	BDIB	
COc1ccccc1[C@H](C)NC(=O)CC(=N)N	217754574	ZROZXFUVAZRWRX-QMMMGPOBSA-N	235.287	1.198	70	40	BDIB	
O=S(=O)(F)c1ccc2c(c1)OCCCO2	105414405	MWGBEFJFFZPZBD-UHFFFAOYSA-N	232.232	1.506	70	40	BDIB	
COc1cc(OC)cc(S(=O)(=O)Cl)c1	59200829	YJDHWSWHDQCMRG-UHFFFAOYSA-N	236.676	1.631	70	40	BDIB	
Cc1ccccc1C(=O)N1CCC[C@@H](C(=N)N)C1	217358268	TWBYSWQGGBVHRP-LLVKDONJSA-N	245.326	1.783	70	40	BDIB	
O=[N+]([O-])c1cccc(S(=O)(=O)Cl)c1F	104151159	IWDJXRAYRAWYLD-UHFFFAOYSA-N	239.611	1.661	70	40	BDIB	
N=C(N)COc1ccc(NC(=O)C2CC2)cc1	217370976	VTMIJUVWRGPHPF-UHFFFAOYSA-N	233.271	1.350	70	40	BDIB	
CN1CCC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)C1	216906397	VOANUNJJHONOJY-QNWHQSFQSA-N	236.359	1.633	70	40	BDIB	
Cc1c(S(=O)(=O)Cl)cnn1CCF	97965344	FISQYRZECXYMRF-UHFFFAOYSA-N	226.660	1.089	70	40	BDIB	
O=S(=O)(Cl)c1cccc2c1OCO2	100220236	KLOJIPJDBCSTTI-UHFFFAOYSA-N	220.633	1.343	70	40	BDIB	in-vitro
CC(C)(C)C(=O)N1CCC[C@@H](C(=N)N)C1	217357485	VPYXMPRECRBBAB-MRVPVSSYSA-N	211.309	1.207	70	40	BDIB	
C[C@@H](CCc1ccccc1)NC(=O)CC(=N)N	217753143	TWWPPHNCISJSBG-JTQLQIEISA-N	233.315	1.450	70	40	BDIB	
CNC(=O)Cc1c(-c2cccs2)n[nH]c1N	217815729	LGGKQXRVDCHPKZ-UHFFFAOYSA-N	236.300	1.009	70	40	BDIB	
CCCCn1cc(S(=O)(=O)Cl)cn1	103115903	KJWAMSPYLZDDMA-UHFFFAOYSA-N	222.697	1.611	70	40	BDIB	
Cc1cc(C)cc(NC(=O)CC(=N)N)c1	217742977	BDUVSHUKQKMLDM-UHFFFAOYSA-N	205.261	1.568	70	40	BDIB	
O=S(=O)(F)c1cnccc1C(F)(F)F	675066953	RTZRDXXTMKQWSO-UHFFFAOYSA-N	229.154	1.759	70	40	BDIB	
Cc1cc(C(=O)O)ccc1S(=O)(=O)F	104169017	WSOAEHMAYVHGNK-UHFFFAOYSA-N	218.205	1.351	70	40	BDIB	
O=S(=O)(F)c1ccc2c(c1)OCO2	105396341	CLFBVVAGJBPTBZ-UHFFFAOYSA-N	204.178	1.074	70	40	BDIB	
COc1ccc(NCCS(=O)(=O)F)cc1	96022856	JTKHPBZSAWIHPX-UHFFFAOYSA-N	233.264	1.406	70	40	BDIB	
CCC(=O)Nc1ccc(OCC(=N)N)cc1	217370845	HMCRKKKMOZSLMM-UHFFFAOYSA-N	221.260	1.350	70	40	BDIB	
O=S(=O)(F)N1CCC2(CC1)CC2(F)F	1776011268	ZASYIZAMXAAJEP-UHFFFAOYSA-N	229.223	1.322	70	40	BDIB	
O=S(=O)(F)c1ccc(Br)cn1	100633595	BPJYQWDSPWLLNO-UHFFFAOYSA-N	240.053	1.502	70	40	BDIB	in-vitro