smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CO[C@@H](C)Cn1cc(S(=O)(=O)Cl)cn1	103703158	VBLVZOUIFRRPQU-LURJTMIESA-N	238.696	0.846	70	40	BCIB	
O=S(=O)(Cl)c1n[nH]c(C(F)(F)F)n1	100123658	NFUGWNIMNFPIQV-UHFFFAOYSA-N	235.574	0.751	70	40	BCIB	
O=S(=O)(F)C1=NN[C@@H](C(F)(F)F)C1	1535642607	WFJRRDOOWOJZSU-UWTATZPHSA-N	220.147	0.523	70	40	BCIB	
COCCn1nccc1CS(=O)(=O)Cl	110765100	JRQAHOCZOGJHIW-UHFFFAOYSA-N	238.696	0.598	70	40	BCIB	
C[C@@H]1CN(S(=O)(=O)Cl)[C@H](C)CO1	59321900	FGFHSVAFDFWLMD-PHDIDXHHSA-N	213.686	0.579	70	40	BCIB	in-vitro
O=S(=O)(F)c1ncc2[nH]cnc2n1	104378020	NZSCEETXIUKPSW-UHFFFAOYSA-N	202.170	0.011	70	40	BCIB	
Cc1cc(=O)[nH]c(=O)n1Cc1ccncc1	218293813	NZDDLNPPCXLUMI-UHFFFAOYSA-N	217.228	0.288	70	40	BCIB	
COC(=O)c1c(C)ccn1S(C)(=O)=O	217899278	DEDIMIXLSJAEKK-UHFFFAOYSA-N	217.246	0.391	70	40	BCIB	
COC(=O)c1ccc(S(=O)(=O)F)nc1	690780483	WBLJMPRDOLODIO-UHFFFAOYSA-N	219.193	0.526	70	40	BCIB	
O=C(O)c1cc(S(=O)(=O)F)ccc1O	103525274	AHWKZWHBSGGMJR-UHFFFAOYSA-N	220.177	0.749	70	40	BCIB	
Cc1ccc(CC(=O)N2CCN(C)CC2)c(N)c1	217779577	SAKXRCWMRDVVPP-UHFFFAOYSA-N	247.342	0.894	70	40	BCIB	
Cn1c(P(=O)(O)O)nc2c1CCCC2	217696424	MQCQHFZAADIBJH-UHFFFAOYSA-N	216.177	0.102	70	40	BCIB	
COC(=O)CS[C@@H]1CCN(C(=O)C2CC2)C1	217549906	FVNVYSUDNMCPNF-SECBINFHSA-N	243.328	0.904	70	40	BCIB	
CCN(CC)C(=O)CN(C)S(=O)(=O)Cl	100100536	ILIJSUFNSQCLLZ-UHFFFAOYSA-N	242.728	0.270	70	40	BCIB	
Cc1nn2cccnc2c1S(=O)(=O)Cl	100633200	KDSQRTBDWXIFFL-UHFFFAOYSA-N	231.664	0.965	70	40	BCIB	in-vitro
CC(=O)Nc1cccc(OCC(=N)N)c1	217368180	DKFLGOXEHHVTEX-UHFFFAOYSA-N	207.233	0.960	70	40	BCIB	
O=S(=O)(O[C@@H]1CCOC1)C(F)(F)F	110753614	NJQBUMDHLBFQPX-SCSAIBSYSA-N	220.168	0.642	70	40	BCIB	
COC(=O)C[C@H](C)S(=O)(=O)Cl	59313865	KMPWMWOHXAFNTH-BYPYZUCNSA-N	200.643	0.507	70	40	BCIB	
Cc1cccc(N(CC(=N)N)S(C)(=O)=O)c1	217347154	WLGGCVPKLVLDNT-UHFFFAOYSA-N	241.316	0.697	70	40	BCIB	
COC[C@H](C)NC(=O)C1CCN(C)CC1	216922430	LTVUMHPCTCAURS-VIFPVBQESA-N	214.309	0.479	70	40	BCIB	
COC(=O)c1cc(S(=O)(=O)F)on1	521399260	QTPGOMWQOARRQY-UHFFFAOYSA-N	209.154	0.119	70	40	BCIB	
COc1ccccc1CNC(=O)CC(=N)N	217751083	PVHRFWHDUNACIY-UHFFFAOYSA-N	221.260	0.637	70	40	BCIB	
N#Cc1cccc(S(=O)(=O)Cl)n1	108314284	MYMMVLIOCVILFV-UHFFFAOYSA-N	202.622	0.881	70	40	BCIB	
CS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	105879710	JNTROPSGOOMFEO-UHFFFAOYSA-N	238.261	0.748	70	40	BCIB	
COc1cc(N)c(CC(N)=O)cc1OC	217669052	HDXJMWBBOYFYEZ-UHFFFAOYSA-N	210.233	0.314	70	40	BCIB	
CCOC(=O)C[C@H](C)S(=O)(=O)Cl	104549688	BBKCFINXSSTREH-YFKPBYRVSA-N	214.670	0.897	70	40	BCIB	
COCCOS(=O)(=O)C(F)(F)F	110753577	XCVDRKJGVQKLMR-UHFFFAOYSA-N	208.157	0.499	70	40	BCIB	
N=C(N)CC(=O)NCc1ccc2c(c1)OCO2	217750760	XFMOTYXYXQDEGZ-UHFFFAOYSA-N	235.243	0.358	70	40	BCIB	
Cc1cc(C)n2nc(S(=O)(=O)Cl)nc2n1	100016809	RRSWSFWNULDHMF-UHFFFAOYSA-N	246.679	0.669	70	40	BCIB	
Cc1cnc(N)c(S(=O)(=O)Cl)c1	100451414	XMUBHWHROWEFIA-UHFFFAOYSA-N	206.654	0.900	70	40	BCIB	in-vitro
COC(=O)CC1(CS(=O)(=O)F)CC1	100654594	YCQDYWAFPWQETF-UHFFFAOYSA-N	210.226	0.629	70	40	BCIB	in-vitro
COC(=O)C(C)(C)CS(=O)(=O)Cl	100220857	CGHRVMRGPGBQMI-UHFFFAOYSA-N	214.670	0.754	70	40	BCIB	
COC(=O)[C@@H]1CC[C@H]1S(=O)(=O)Cl	97972403	XSEPQMRTNQIYLC-RFZPGFLSSA-N	212.654	0.507	70	40	BCIB	
O=C(O)c1cc(S(=O)(=O)F)ccn1	1535542716	NKRNNCLOIFCTBK-UHFFFAOYSA-N	205.166	0.438	70	40	BCIB	
N#Cc1ccnc(S(=O)(=O)Cl)c1	100272382	SUJGVVCZKQCEOP-UHFFFAOYSA-N	202.622	0.881	70	40	BCIB	
Cc1nn(C)c(C(=O)O)c1S(=O)(=O)Cl	101464307	WMOOIRKXUQUIIR-UHFFFAOYSA-N	238.652	0.354	70	40	BCIB	
CC1(C#N)CCN(S(=O)(=O)F)CC1	1776011181	HALUIKYMZWZRJC-UHFFFAOYSA-N	206.242	0.826	70	40	BCIB	
C[C@H]1COCCN1CCCS(=O)(=O)Cl	110752700	MMJJMVVDZZSFTA-QMMMGPOBSA-N	241.740	0.666	70	40	BCIB	
COC[C@@H](C)NC(=O)C1CCN(C)CC1	216922411	LTVUMHPCTCAURS-SECBINFHSA-N	214.309	0.479	70	40	BCIB	
Cc1cc(C)n(-c2nn3cnnc3s2)n1	216755849	HYSKGLGHROADIT-UHFFFAOYSA-N	220.261	0.988	70	40	BCIB	
Cc1cc(=O)[nH]c(=O)n1-c1ccccn1	218293532	JZGLGGMDFILDKF-UHFFFAOYSA-N	203.201	0.229	70	40	BCIB	
COC(=O)COS(=O)(=O)C(F)(F)F	100033561	PPYPHCLFWPCGAU-UHFFFAOYSA-N	222.140	0.026	70	40	BCIB	
O=[N+]([O-])c1ccc(S(=O)(=O)Cl)nc1	100048543	FLCUBTGLOUZACX-UHFFFAOYSA-N	222.609	0.917	70	40	BCIB	in-vitro
C[C@@H]1CCC[C@@H](CO)N1CCOC(=O)N(C)C	159398783	ISQGCOZFVDVUON-MNOVXSKESA-N	244.335	0.920	70	40	BCIB	
NC(=O)Cc1ccc(S(=O)(=O)Cl)cc1	59222026	CCQZPZXZBKSMPR-UHFFFAOYSA-N	233.676	0.642	70	40	BCIB	
COCCn1ncc(S(=O)(=O)Cl)c1C	103671191	JWVPLEYDTUAJJH-UHFFFAOYSA-N	238.696	0.765	70	40	BCIB	
O=C(O)c1ccc(S(=O)(=O)Cl)[nH]1	105671191	DJCOGDXHCLXEAL-UHFFFAOYSA-N	209.610	0.640	70	40	BCIB	
O=S(=O)(Cl)C[C@H]1CCCS(=O)(=O)C1	217832370	RXCXKYPIMGONDW-LURJTMIESA-N	246.737	0.380	70	40	BCIB	
O=C(CS(=O)(=O)Cl)N1CCCC1	162064272	AEOUIUHIHJCDHR-UHFFFAOYSA-N	211.670	0.177	70	40	BCIB	
Cc1ccc(N)c(CC(=O)N2CCOCC2)c1	217785646	YKLRYOJMYKACOL-UHFFFAOYSA-N	234.299	0.979	70	40	BCIB	
O=C(/C=C/c1ccco1)N1CC(n2ccnn2)C1	217712705	JDXRQSKTXZPORM-ONEGZZNKSA-N	244.254	0.968	70	40	BCIB	
Cc1nc(NC=O)sc1S(=O)(=O)F	1535644989	KSOPQNDGFXFWHY-UHFFFAOYSA-N	224.238	0.678	70	40	BCIB	
CN(C)CCCNC(=O)[C@H]1CCCN(C)C1	216911119	NUVGAWQAGWQTAQ-NSHDSACASA-N	227.352	0.396	70	40	BCIB	
Cn1cnc([N+](=O)[O-])c1S(=O)(=O)Cl	100630301	HPQGYIQIVWZUCN-UHFFFAOYSA-N	225.613	0.256	70	40	BCIB	in-vitro
CCn1ncc(S(=O)(=O)Cl)c1F	238853988	LZDZVRXOUZAYNY-UHFFFAOYSA-N	212.633	0.970	70	40	BCIB	
O=S(=O)(Cl)c1cccc(-n2cnnn2)c1	59104246	YWKSERGXGNTVFA-UHFFFAOYSA-N	244.663	0.590	70	40	BCIB	in-vitro
O=c1cnc2cc(S(=O)(=O)Cl)ccc2[nH]1	100395814	CCANFNXCFCDRNN-UHFFFAOYSA-N	244.659	0.851	70	40	BCIB	
O=S(=O)(Cl)N1CCC(F)(F)C1	97976236	ZRSSBSNLKROXSQ-UHFFFAOYSA-N	205.613	0.811	70	40	BCIB	
COC(=O)[C@H]1CC[C@@H]1S(=O)(=O)Cl	97972402	XSEPQMRTNQIYLC-WHFBIAKZSA-N	212.654	0.507	70	40	BCIB	
O=S1(=O)CCC(S(=O)(=O)Cl)CC1	100606336	VVMQCBWGPRBGDH-UHFFFAOYSA-N	232.710	0.132	70	40	BCIB	in-vitro
COC(=O)[C@@](F)(C(F)(F)F)S(=O)(=O)F	100015903	KSERMEXIFUORJL-VKHMYHEASA-N	242.121	0.687	70	40	BCIB	
CC(=O)N1CCC(S(=O)(=O)F)CC1	675065629	LMWZLLRNTDAAMM-UHFFFAOYSA-N	209.242	0.297	70	40	BCIB	
COC(=O)c1ccc(S(=O)(=O)Cl)cn1	100361252	KNWRLXXUWDOFIN-UHFFFAOYSA-N	235.648	0.796	70	40	BCIB	in-vitro
Cc1cc(OS(=O)(=O)C(F)(F)F)n(C)n1	137637137	WCASEZPAWSRVRK-UHFFFAOYSA-N	244.194	0.957	70	40	BCIB	
CC(=O)Nc1nnc(S(=O)(=O)Cl)s1	100061746	MEJAPGGFIJZHEJ-UHFFFAOYSA-N	241.681	0.424	70	40	BCIB	in-vitro
N=C(N)CC(=O)NCc1ccc(F)cc1	217755208	FNMJZLIRRCCRTE-UHFFFAOYSA-N	209.224	0.768	70	40	BCIB	
N=C(N)CC(=O)NCCc1ccccc1	217741180	GFEZOQXUOBSJNG-UHFFFAOYSA-N	205.261	0.671	70	40	BCIB	
O=S(=O)(Cl)c1ccc(-n2cnnn2)cc1	59222007	FROFVIWAFKEQQY-UHFFFAOYSA-N	244.663	0.590	70	40	BCIB	in-vitro
O=S(=O)(Cl)CCCS(=O)(=O)Cl	100656131	QHABYFQJNLKLOR-UHFFFAOYSA-N	241.117	0.514	70	40	BCIB	
O=C(c1ccoc1)N1CC[C@H](n2ccnn2)C1	217687879	FVWONHGULSQTLU-JTQLQIEISA-N	232.243	0.958	70	40	BCIB	
C[C@@H](C(=O)N1CCCCC1)S(=O)(=O)Cl	157447216	WMIATCDELDDQKT-ZETCQYMHSA-N	239.724	0.956	70	40	BCIB	
Cc1ccc(N)c(CC(=O)N2CCN(C)CC2)c1	217786020	JZMPWSOBDGFVBG-UHFFFAOYSA-N	247.342	0.894	70	40	BCIB	
O=S(=O)(Cl)N1CCC2(CC1)OCCO2	100465377	BGZUFEVTVCKYMP-UHFFFAOYSA-N	241.696	0.309	70	40	BCIB	in-vitro
CNC(=O)Cc1cc(OC)c(OC)cc1N	217669190	YLKGLSVZNCFKOC-UHFFFAOYSA-N	224.260	0.575	70	40	BCIB	
COc1ccc(Cn2c(C)cc(=O)[nH]c2=O)cc1	218293962	YFIUPXCMAJVUOT-UHFFFAOYSA-N	246.266	0.902	70	40	BCIB	
O=S(=O)(O[C@H]1CCOC1)C(F)(F)F	110753612	NJQBUMDHLBFQPX-BYPYZUCNSA-N	220.168	0.642	70	40	BCIB	
COC(=O)c1ccc(C[C@H]2CNC(=O)OC2)o1	218691218	VDIDRAJEDGMKNP-ZETCQYMHSA-N	239.227	0.965	70	40	BCIB	
CN(Cc1ccccc1)C(=O)CC(=N)N	217749311	BOKAYAZUVWTXRW-UHFFFAOYSA-N	205.261	0.971	70	40	BCIB	
Nc1nnc(-c2cccc(-c3nnc(N)o3)n2)o1	216758050	GDFBMFNIQDQWSF-UHFFFAOYSA-N	245.202	0.346	70	40	BCIB	
CCn1ncc(S(=O)(=O)Cl)c1COC	408716694	PUGUBNSHDAKLCA-UHFFFAOYSA-N	238.696	0.977	70	40	BCIB	
CN(C)C(=O)Cc1cnc(C(F)(F)F)nc1O	217597850	PPCUPXJGEUQXNL-UHFFFAOYSA-N	249.192	0.832	70	40	BCIB	
O=C(O)c1ccnc(S(=O)(=O)Cl)c1	104544832	FFFSCIPJGYLENK-UHFFFAOYSA-N	221.621	0.707	70	40	BCIB	
CNS(=O)(=O)c1cc(OC)c(OC)cc1N	217675786	OUFBYKADPMTTFB-UHFFFAOYSA-N	246.288	0.194	70	40	BCIB	
O=S(=O)(F)N1CC[C@H]2[C@@H](C1)C2(F)F	1776011146	AMRNADSZXJMDJZ-CRCLSJGQSA-N	215.196	0.788	70	40	BCIB	
O=C1Cc2cc(S(=O)(=O)F)ccc2N1	105401275	URJWKJBAQQDZJY-UHFFFAOYSA-N	215.205	0.839	70	40	BCIB	
O=S(=O)(F)N1CC2(C1)CC2(F)F	1776011257	WWAQXVLXELPDGY-UHFFFAOYSA-N	201.169	0.542	70	40	BCIB	
Cn1cc(S(=O)(=O)Cl)c(C(=O)O)n1	103635457	KBBKWUKOTTXASQ-UHFFFAOYSA-N	224.625	0.046	70	40	BCIB	
CCN(c1cccc(C(=N)N)c1)S(C)(=O)=O	217346670	HSDPBOYGHRJLDI-UHFFFAOYSA-N	241.316	0.757	70	40	BCIB	
O=S(=O)(Cl)c1ccc2nn[nH]c2c1	59059912	PSPCOCCEHDQASL-UHFFFAOYSA-N	217.637	0.885	70	40	BCIB	in-vitro
CC(=O)Nc1cccc(NC(=O)CC(=N)N)c1	217752713	ORMMKPRBZHTBMA-UHFFFAOYSA-N	234.259	0.910	70	40	BCIB	
O=S(=O)(F)N1CCC(Cl)CC1	1776011262	XXQFNYSTSVIQNA-UHFFFAOYSA-N	201.650	0.904	70	40	BCIB	
O=C(NCc1ccc(F)cc1)c1cc(=O)nc[nH]1	217793392	HGZHVYDCANBCOK-UHFFFAOYSA-N	247.229	0.839	70	40	BCIB	
COC[C@H](C)NC(=O)[C@@H]1CCCN(C)C1	216913472	BEIYUPIGNPDBFC-VHSXEESVSA-N	214.309	0.479	70	40	BCIB	
O=[N+]([O-])c1n[nH]cc1S(=O)(=O)Cl	100583370	ZYXDISMDYUMDSS-UHFFFAOYSA-N	211.586	0.245	70	40	BCIB	
CCOC(=O)c1cc(C)n(C)c(=O)c1O	218314735	KWJGIUZOSCTWRS-UHFFFAOYSA-N	211.217	0.576	70	40	BCIB	
Cn1cc(S(=O)(=O)Cl)cc1C(=O)O	59145529	POMZQIUIOJIHIN-UHFFFAOYSA-N	223.637	0.651	70	40	BCIB	in-vitro
COC[C@@H](C)NC(=O)CC1CCN(C)CC1	216900336	RHCCXQQZQZTVCO-SNVBAGLBSA-N	228.336	0.869	70	40	BCIB	
COC(=O)c1cccn1S(C)(=O)=O	217899159	YGYMTUBUZAZTHF-UHFFFAOYSA-N	203.219	0.082	70	40	BCIB	
COCCNC(=O)Cc1cc(C)ccc1N	217784180	XQQWZDVJGXVAGB-UHFFFAOYSA-N	222.288	0.882	70	40	BCIB	
O=S(=O)(F)N1CCCC(F)(F)C1	1776011189	JPBPCYNREOJGLS-UHFFFAOYSA-N	203.185	0.932	70	40	BCIB	
O=[N+]([O-])c1ncccc1S(=O)(=O)F	521399024	RAVQXZMDCUWFGH-UHFFFAOYSA-N	206.154	0.648	70	40	BCIB	
COc1ccc(C(N)=O)cc1S(=O)(=O)Cl	59338171	WUNHEQGURAQUQZ-UHFFFAOYSA-N	249.675	0.722	70	40	BCIB	
O=C(Cn1cccc1)N1CCc2ncncc2C1	217627147	FNJNUGLKFSMTCK-UHFFFAOYSA-N	242.282	0.863	70	40	BCIB	
O=S(=O)(F)c1nc(Cl)c2nc[nH]c2n1	100032672	QVUAWHQMKAWAFB-UHFFFAOYSA-N	236.615	0.665	70	40	BCIB	
CNC(=O)Cc1c(-c2ccccc2)n[nH]c1N	217815077	WRHOWSFPFSUPDX-UHFFFAOYSA-N	230.271	0.947	70	40	BCIB	
CC(=O)NCc1ccc(S(=O)(=O)F)cc1	95850935	MHDPNRPBTSKUAW-UHFFFAOYSA-N	231.248	0.981	70	40	BCIB	
Cc1cc(=O)[nH]c(=O)n1C[C@H]1CCCO1	218294351	JSBKYRKHUPQNEK-MRVPVSSYSA-N	210.233	0.024	70	40	BCIB	
CCOC(=O)COS(=O)(=O)C(F)(F)F	59190468	QWFJZCGIJRHYDQ-UHFFFAOYSA-N	236.167	0.416	70	40	BCIB	
O=S(=O)(F)N1CCC(F)(F)CC1	1776011226	SHDMMQVAAZNKID-UHFFFAOYSA-N	203.185	0.932	70	40	BCIB	
OB1c2ccccc2CCc2ccccc21	170186657	WODZOHCGHOLWOJ-UHFFFAOYSA-N	208.069	0.883	70	40	BCIB	
CCc1nn(C)cc1S(=O)(=O)Cl	103691716	HRSCJNAABNELAR-UHFFFAOYSA-N	208.670	0.910	70	40	BCIB	
O=C1NCCc2ccc(S(=O)(=O)Cl)cc21	100585937	AAKHUSHVJIHFLT-UHFFFAOYSA-N	245.687	0.900	70	40	BCIB	
O=C(C1CC1)N1CC(N2C(=O)CSC2=O)C1	217743148	PHVTUFZLZGPSDV-UHFFFAOYSA-N	240.284	0.303	70	40	BCIB	
Cn1ncc(S(=O)(=O)Cl)c1C(=O)O	103693889	HLPWQQMZHIJIDI-UHFFFAOYSA-N	224.625	0.046	70	40	BCIB	
COCc1c(S(=O)(=O)Cl)cnn1C	408716250	KKCOCSRYLZIZRR-UHFFFAOYSA-N	224.669	0.494	70	40	BCIB	
C[C@@H]1CS(=O)(=O)C=C1SC(=N)N	217423409	CORKUQFZCGRTJK-SCSAIBSYSA-N	206.292	0.519	70	40	BCIB	
COc1ccc(NC(=O)CC(=N)N)cc1	217747034	XHZNKRLZDBPCJP-UHFFFAOYSA-N	207.233	0.960	70	40	BCIB	
O=S(=O)(Cl)N1CCC[C@H](F)C1	97976202	BKNOYLBRIDZLQC-YFKPBYRVSA-N	201.650	0.904	70	40	BCIB	
COc1cccc(NC(=O)CC(=N)N)c1	217746923	HAYQCEXJIDWIDL-UHFFFAOYSA-N	207.233	0.960	70	40	BCIB	
CN(C)C(=O)Cc1c(C2CC2)n[nH]c1N	217814452	ASJZUFYUTXJPOI-UHFFFAOYSA-N	208.265	0.500	70	40	BCIB	
N#Cc1ncccc1S(=O)(=O)Cl	100551039	QZSSOVKSSCLNSM-UHFFFAOYSA-N	202.622	0.881	70	40	BCIB	in-vitro
O=C(O)c1ccc(S(=O)(=O)Cl)cn1	107111299	ISTDOHKDONBSAG-UHFFFAOYSA-N	221.621	0.707	70	40	BCIB	
N=C(N)CC(=O)N1CCN(c2ccccc2)CC1	217750106	PYZQFWHBUJNXSC-UHFFFAOYSA-N	246.314	0.661	70	40	BCIB	
O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@@H]34)[C@H]2C(=O)N1CCO	217607808	DWSQTEFCPONJIZ-MXULBQIISA-N	233.267	0.032	70	40	BCIB	
Cc1ccc(OCC(=N)N)c(NC=O)c1	217372863	APTNLSOEEHSHNO-UHFFFAOYSA-N	207.233	0.878	70	40	BCIB	
O=[N+]([O-])c1cnccc1S(=O)(=O)F	306753077	LUCSQOKYKMRUOG-UHFFFAOYSA-N	206.154	0.648	70	40	BCIB	
O=C(Cn1ncccc1=O)N1[C@H]2C=CC[C@H]1CC2	218741255	YJYZUKWAPWELCI-QWRGUYRKSA-N	245.282	0.563	70	40	BCIB	
CN(Cc1nncn1C)C[C@H]1CCCCO1	160833142	RDMRNZHIUXLKOA-SNVBAGLBSA-N	224.308	0.816	70	40	BCIB	
COc1ccc(NC(=O)CC(=N)N)c(OC)c1	217747582	HSLFHEYLQFOIAF-UHFFFAOYSA-N	237.259	0.968	70	40	BCIB	
COC(=O)[C@](F)(C(F)(F)F)S(=O)(=O)F	100015901	KSERMEXIFUORJL-GSVOUGTGSA-N	242.121	0.687	70	40	BCIB	
COc1cc(S(=O)(=O)F)c(F)cn1	1535627819	BJEPSQAARAFMBV-UHFFFAOYSA-N	209.173	0.888	70	40	BCIB	
Cc1cc(=O)[nH]c(=O)n1Cc1ccccn1	218293642	KYQLOQSXHIVKSP-UHFFFAOYSA-N	217.228	0.288	70	40	BCIB	
O=S(=O)(F)N1C[C@@H]2[C@@H](C1)C2(F)F	1776011235	UWNCFDZICFXCQW-QWWZWVQMSA-N	201.169	0.398	70	40	BCIB	
Cc1n[nH]c(N)c1CC(=O)N1CCCC1	217814650	PKRUAUTWJLCTJQ-UHFFFAOYSA-N	208.265	0.465	70	40	BCIB	
CCN(CC)C(=O)[C@H](C)S(=O)(=O)Cl	157453309	DQEAJFMQRHEPTH-LURJTMIESA-N	227.713	0.812	70	40	BCIB	
CS(=O)(=O)N(CC(=N)N)c1ccccc1	217346801	QBMGKTBUXURYSV-UHFFFAOYSA-N	227.289	0.389	70	40	BCIB	
CCn1ccnc1CN1CCN(C)CC1	160667714	DWPLVZJMTXPVJV-UHFFFAOYSA-N	208.309	0.650	70	40	BCIB	
COC(=O)c1ccc(S(=O)(=O)F)cn1	675065842	RHRQOISKKIORIS-UHFFFAOYSA-N	219.193	0.526	70	40	BCIB	
COC(=O)c1c(C)c(C)cn1S(C)(=O)=O	217899378	JDKTTYKXQCYUKY-UHFFFAOYSA-N	231.273	0.699	70	40	BCIB	
COC(=O)c1cnn(C)c1S(=O)(=O)Cl	100804952	JJVDDLLUYKYWSI-UHFFFAOYSA-N	238.652	0.134	70	40	BCIB	in-vitro
O=C(O)Cc1ccc(S(=O)(=O)F)cc1	105316292	VARMWPGASRMINF-UHFFFAOYSA-N	218.205	0.972	70	40	BCIB	in-vitro
C[C@H](C(=O)N1CCCCC1)S(=O)(=O)Cl	157447350	WMIATCDELDDQKT-SSDOTTSWSA-N	239.724	0.956	70	40	BCIB	
C[C@H]1CN(S(=O)(=O)Cl)[C@H](C)CO1	59321902	FGFHSVAFDFWLMD-RITPCOANSA-N	213.686	0.579	70	40	BCIB	in-vitro
Cc1c(S(=O)(=O)Cl)c(C(=O)O)nn1C	103635579	PGAIMINCJFLYCN-UHFFFAOYSA-N	238.652	0.354	70	40	BCIB	
Nn1cnnc1SCc1cccnc1	216861097	CJUGMUAFIDZOJS-UHFFFAOYSA-N	207.262	0.679	70	40	BCIB	
O=C(Cn1cncn1)N1[C@H]2C=CC[C@H]1CC2	218731477	AQOPRYQADUFAKZ-UWVGGRQHSA-N	218.260	0.598	70	40	BCIB	
COC(=O)c1ccccc1OCC(=N)N	217367855	BDAHFXIVNZBVHV-UHFFFAOYSA-N	208.217	0.788	70	40	BCIB	
O=C(Cl)C(F)(F)S(=O)(=O)Cl	103624026	AKPGLWLYFFCLHU-UHFFFAOYSA-N	212.988	0.913	70	40	BCIB	
CCNC(=O)Cc1cc(OC)c(OC)cc1N	217669409	KLBSRPZAYPHTPU-UHFFFAOYSA-N	238.287	0.965	70	40	BCIB	
CN1B(c2ccccc2)N(C)C(=O)N(C)C1=O	195515748	SDERIOGEXNGHMX-UHFFFAOYSA-N	231.064	0.431	70	40	BCIB	
CCN(c1ccc(C(=N)N)cc1)S(C)(=O)=O	217346564	JOPAUOWPNRMSQU-UHFFFAOYSA-N	241.316	0.757	70	40	BCIB	
NC(=O)Cc1c(-c2ccccc2)n[nH]c1N	217814960	JTDKXAGIKKFTTD-UHFFFAOYSA-N	216.244	0.687	70	40	BCIB	
CS(=O)(=O)N(CC(=N)N)Cc1ccccc1	217346927	MNIISWCZWJSXPC-UHFFFAOYSA-N	241.316	0.384	70	40	BCIB	
O=P(O)(O)c1nc2c([nH]1)CCCCC2	217696204	QUOZGLHQZDXEGY-UHFFFAOYSA-N	216.177	0.482	70	40	BCIB	
COCCNC(=O)Cc1ccc(C)cc1N	217777715	QTOHXSSOUMOJHS-UHFFFAOYSA-N	222.288	0.882	70	40	BCIB	
COC(=O)c1ccc(C[C@@H]2CNC(=O)OC2)o1	218691147	VDIDRAJEDGMKNP-SSDOTTSWSA-N	239.227	0.965	70	40	BCIB	
O=S(=O)(F)C1=NN[C@H](C(F)(F)F)C1	1535642606	WFJRRDOOWOJZSU-REOHCLBHSA-N	220.147	0.523	70	40	BCIB	
C[C@H]1CN(S(=O)(=O)Cl)[C@@H](C)CO1	101467143	FGFHSVAFDFWLMD-WDSKDSINSA-N	213.686	0.579	70	40	BCIB	in-vitro
COC(=O)c1c(C)n[nH]c1S(=O)(=O)Cl	100027229	YVQPLHRRAPOQAZ-UHFFFAOYSA-N	238.652	0.432	70	40	BCIB	
CN1C(=O)Cc2cc(S(=O)(=O)F)ccc21	105411962	WPMCQLMOVVDRLC-UHFFFAOYSA-N	229.232	0.864	70	40	BCIB	
COCCCc1cc(O)nc(COC)n1	217786160	IXEPLAQCSDDISI-UHFFFAOYSA-N	212.249	0.908	70	40	BCIB	
CCn1cc(S(=O)(=O)Cl)c(C(=O)O)n1	103635466	UUVVCILEPJVMCK-UHFFFAOYSA-N	238.652	0.529	70	40	BCIB	
Cn1nnnc1C(=O)NC1CCCCC1	218734228	BNGABPVZIGUBPM-UHFFFAOYSA-N	209.253	0.273	70	40	BCIB	
COC[C@](C)(O)CNC(=O)/C=C/c1ccoc1	217571592	MQKBUZZPLYIPAE-AAOUONPWSA-N	239.271	0.806	70	40	BCIB	
CCOCCCNC(=O)[C@@H]1CCCN(C)C1	216908593	XTWJIZUPZVYCFP-LLVKDONJSA-N	228.336	0.871	70	40	BCIB	
COC(=O)c1cccc(OCC(=N)N)c1	217367968	QFFCHYNBXDYRMQ-UHFFFAOYSA-N	208.217	0.788	70	40	BCIB	
O=C(c1ccco1)N1CC(n2ccnn2)C1	217712272	UEOVDVDSICIKMN-UHFFFAOYSA-N	218.216	0.568	70	40	BCIB	
O=C(C1CCC1)N1CC[C@H](n2ccnn2)C1	217685730	ZTNRKFLJAPSJTK-JTQLQIEISA-N	220.276	0.852	70	40	BCIB	
Cc1cc(OCC(=N)N)ccc1NC=O	217371726	ASUIQVCOPOQMKS-UHFFFAOYSA-N	207.233	0.878	70	40	BCIB	
COC(=O)c1ccc(OCC(=N)N)cc1	217368073	UYIDVJWQMWHWDE-UHFFFAOYSA-N	208.217	0.788	70	40	BCIB	
O=C1CCCN1CCCS(=O)(=O)Cl	110752675	RPYGXRZVDZJURN-UHFFFAOYSA-N	225.697	0.568	70	40	BCIB	
O=CNCc1ccc(S(=O)(=O)F)cc1	104193382	IHCGZTPFRPBOGR-UHFFFAOYSA-N	217.221	0.591	70	40	BCIB	
COc1ccccc1NC(=O)CC(=N)N	217746804	HHTJZKHMUYAFST-UHFFFAOYSA-N	207.233	0.960	70	40	BCIB	
COCCn1cc(NC2=NCCOC2)cn1	217807865	OQDZKZRHJNFRFL-UHFFFAOYSA-N	224.264	0.370	70	40	BCIB	
COC[C@@](C)(O)CNC(=O)/C=C/c1ccoc1	217571671	MQKBUZZPLYIPAE-PCAWENJQSA-N	239.271	0.806	70	40	BCIB	
CCCc1nnc(S(=O)(=O)Cl)o1	585672964	UIORHASGRBZTOI-UHFFFAOYSA-N	210.642	0.950	70	40	BCIB	
COC[C@H](C)NC(=O)CC1CCN(C)CC1	216900369	RHCCXQQZQZTVCO-JTQLQIEISA-N	228.336	0.869	70	40	BCIB	
O=C1NC(=O)c2cc(S(=O)(=O)Cl)ccc21	59113461	SUEUJJPJLQOTBB-UHFFFAOYSA-N	245.643	0.498	70	40	BCIB	
O=S(=O)(OC1COC1)C(F)(F)F	97956519	GKYAMYAOSBOCEW-UHFFFAOYSA-N	206.141	0.251	70	40	BCIB	
O=S(=O)(Cl)CCCN1CCOCC1	97945879	OSHRZGQSJOAQKN-UHFFFAOYSA-N	227.713	0.277	70	40	BCIB	
CCOC(=O)c1cc(S(=O)(=O)CC)cn1C	217753686	AEKSOJQNEIZYOK-UHFFFAOYSA-N	245.300	0.995	70	40	BCIB	
C[C@H]1CO[C@H](C)CN1S(=O)(=O)Cl	101467148	FGFHSVAFDFWLMD-NTSWFWBYSA-N	213.686	0.579	70	40	BCIB	in-vitro
O=C(CS(=O)(=O)Cl)N1CCCCCC1	157447049	CRQVDVGOJXEBBD-UHFFFAOYSA-N	239.724	0.958	70	40	BCIB	
COC(=O)c1cc(S(=O)(=O)Cl)c[nH]1	100649109	GDVGLPMJTJGVHQ-UHFFFAOYSA-N	223.637	0.729	70	40	BCIB	in-vitro
CN(Cc1nncn1C)C[C@@H]1CCCCO1	160833012	RDMRNZHIUXLKOA-JTQLQIEISA-N	224.308	0.816	70	40	BCIB	
C[C@H]1CS(=O)(=O)C=C1SC(=N)N	217423507	CORKUQFZCGRTJK-BYPYZUCNSA-N	206.292	0.519	70	40	BCIB	
CO[C@@H]1CC[C@@](CCNC(C)=O)(OC)O1	217480511	XYMCHAPFIUTAOE-VHSXEESVSA-N	217.265	0.638	70	40	BCIB	
CCOC(=O)C1CCN(C(=O)CC(=N)N)CC1	217749722	BOLVZFSWOWKMNB-UHFFFAOYSA-N	241.291	0.114	70	40	BCIB	
CCn1ccc(CS(=O)(=O)Cl)n1	110765111	OUMXSZQFBRWDDD-UHFFFAOYSA-N	208.670	0.972	70	40	BCIB	
COCc1nn(C)cc1S(=O)(=O)Cl	97972579	YWIQCVMYAAZBKQ-UHFFFAOYSA-N	224.669	0.494	70	40	BCIB	
O=P(O)(O)c1nc2c([nH]1)CCCC2	217696318	TVROAKULNYWSIH-UHFFFAOYSA-N	202.150	0.092	70	40	BCIB	
N=C(N)CC(=O)N1CCc2ccccc2C1	217750654	QBJLKWNASRKGCG-UHFFFAOYSA-N	217.272	0.897	70	40	BCIB	
Cc1ccc(CC(=O)N2CCOCC2)c(N)c1	217779223	JEBCUJUQJKWQEN-UHFFFAOYSA-N	234.299	0.979	70	40	BCIB	
O=S(=O)(F)N1CC[C@@H]2[C@@H](C1)C2(F)F	1776011148	AMRNADSZXJMDJZ-RFZPGFLSSA-N	215.196	0.788	70	40	BCIB	
CS(=O)(=O)c1ncncc1C(F)(F)F	218729457	WZUPCTSPGRAMRV-UHFFFAOYSA-N	226.179	0.899	70	40	BCIB	
O=S(=O)(Cl)c1cnn(CCF)c1	97965341	PQBTVMMMQLFQEY-UHFFFAOYSA-N	212.633	0.780	70	40	BCIB	
CC(=O)Nc1ccc(OCC(=N)N)cc1	217368300	KGMMKUHHVWOVJK-UHFFFAOYSA-N	207.233	0.960	70	40	BCIB	
CCOC(OCC)[SiH2]CCCCN	200072050	WUNMDJICEOAPBR-UHFFFAOYSA-N	205.374	0.669	70	40	BCIB	
O=S(=O)(Cl)CC1CCS(=O)(=O)CC1	217832243	MONATWGUGVZNRL-UHFFFAOYSA-N	246.737	0.380	70	40	BCIB	
CC(C)OCCCNC(=O)CC(=N)N	217750976	PQHMBRLKFXULOY-UHFFFAOYSA-N	201.270	0.244	70	40	BCIB	
O=C(O)Cc1cccc(S(=O)(=O)F)c1	104169061	IPBOEORXWLPABM-UHFFFAOYSA-N	218.205	0.972	70	40	BCIB	
COC(=O)c1c(S(=O)(=O)Cl)cnn1C	100027219	IASQIELMJLXZKM-UHFFFAOYSA-N	238.652	0.134	70	40	BCIB	
CN1CCN(CCCS(=O)(=O)Cl)CC1	82044154	MLCQNQMRSGNESB-UHFFFAOYSA-N	240.756	0.193	70	40	BCIB	
CN(C)CCCNC(=O)[C@@H]1CCCN(C)C1	216911086	NUVGAWQAGWQTAQ-LLVKDONJSA-N	227.352	0.396	70	40	BCIB	
O=S(=O)(F)N1CC[C@H]2[C@H](C1)C2(F)F	1776011150	AMRNADSZXJMDJZ-WHFBIAKZSA-N	215.196	0.788	70	40	BCIB	
COC(=O)c1ccccc1NC(=O)CC(=N)N	217748578	AEWGWIUWBZAXNA-UHFFFAOYSA-N	235.243	0.738	70	40	BCIB	
Cc1n[nH]c(N)c1CC(=O)N1CCCCC1	217814744	IGOYISJXJTZJPQ-UHFFFAOYSA-N	222.292	0.855	70	40	BCIB	
COC[C@@H](C)NC(=O)[C@H]1CCCN(C)C1	216913498	BEIYUPIGNPDBFC-ZJUUUORDSA-N	214.309	0.479	70	40	BCIB	
CCOC(=O)c1cc(S(=O)(=O)CC)c[nH]1	217753454	CAYHZUDQTOVKHE-UHFFFAOYSA-N	231.273	0.985	70	40	BCIB	
COC(=O)/C=C(\C)OS(=O)(=O)C(F)(F)F	32098908	RSNDRPHGOLGQLG-ONEGZZNKSA-N	248.178	0.929	70	40	BCIB	
COC(=O)c1cc(S(=O)(=O)Cl)cn1C	100061376	BTSURNRVAKJLGT-UHFFFAOYSA-N	237.664	0.739	70	40	BCIB	
COC(=O)c1cc(S(=O)(=O)Cl)[nH]n1	110753011	YQYWGWVASOIZLA-UHFFFAOYSA-N	224.625	0.124	70	40	BCIB	
CCOCCCNC(=O)[C@H]1CCCN(C)C1	216908621	XTWJIZUPZVYCFP-NSHDSACASA-N	228.336	0.871	70	40	BCIB	
CCN(CC)C(=O)[C@@H](C)S(=O)(=O)Cl	157453161	DQEAJFMQRHEPTH-ZCFIWIBFSA-N	227.713	0.812	70	40	BCIB	
COc1ccc(CNC(=O)CC(=N)N)cc1	217740845	KNAAINXXQXFNMG-UHFFFAOYSA-N	221.260	0.637	70	40	BCIB	
NNc1nn2c(C(F)F)nnc2s1	216931293	VYYZOBULANFVFW-UHFFFAOYSA-N	206.181	0.409	70	40	BCIB	
CS(=O)(=O)N(CC(=N)N)c1ccc(F)cc1	217347386	RQXAIJDVJPHSTJ-UHFFFAOYSA-N	245.279	0.528	70	40	BCIB	
O=[N+]([O-])c1cc(S(=O)(=O)F)ccc1O	100170950	KQBGUCDGQYRIIM-UHFFFAOYSA-N	221.165	0.959	70	40	BCIB	
N=C(N)CC(=O)Nc1ccc2c(c1)OCO2	217747921	SPKCXHNCCRJXEB-UHFFFAOYSA-N	221.216	0.680	70	40	BCIB	
CCn1ncc(S(=O)(=O)Cl)c1C(=O)O	103694764	QCNSWUNNZWLTFH-UHFFFAOYSA-N	238.652	0.529	70	40	BCIB	
O=C(C1CCC1)N1CC[C@@H](n2ccnn2)C1	217685650	ZTNRKFLJAPSJTK-SNVBAGLBSA-N	220.276	0.852	70	40	BCIB	
COC(=O)C1CC(S(=O)(=O)Cl)C1	100491868	WTZPZRVIYDYSNZ-UHFFFAOYSA-N	212.654	0.507	70	40	BCIB	
COc1cc(N)c(CC(=O)N(C)C)cc1OC	217669307	WPHHKZMQIUOORV-UHFFFAOYSA-N	238.287	0.917	70	40	BCIB	
NC(=O)Nc1ccc(S(=O)(=O)F)cc1	100585858	CIXVJFSPGNLQNF-UHFFFAOYSA-N	218.209	0.835	70	40	BCIB	in-vitro
CO[C@H](C)Cn1cc(S(=O)(=O)Cl)cn1	103703161	VBLVZOUIFRRPQU-ZCFIWIBFSA-N	238.696	0.846	70	40	BCIB	
O=S(=O)(Cl)C[C@@H]1CCCS(=O)(=O)C1	217832415	RXCXKYPIMGONDW-ZCFIWIBFSA-N	246.737	0.380	70	40	BCIB	
COCCOCCCNC(=N)NC1CC1	217999304	WANMMOFEYVPEHF-UHFFFAOYSA-N	215.297	0.316	70	40	BCIB	
O=C(c1ccoc1)N1CC[C@@H](n2ccnn2)C1	217687949	FVWONHGULSQTLU-SNVBAGLBSA-N	232.243	0.958	70	40	BCIB	
O=c1[nH]cnc2ccc(S(=O)(=O)Cl)cc12	100071266	OVVWJBGQGDOQIG-UHFFFAOYSA-N	244.659	0.851	70	40	BCIB	
CC(=O)Nc1ccccc1OCC(=N)N	217370178	IHJOEVGLCRGHCC-UHFFFAOYSA-N	207.233	0.960	70	40	BCIB	
CCOCc1c(S(=O)(=O)Cl)cnn1C	408717424	ZUJPCXOUROXAFA-UHFFFAOYSA-N	238.696	0.884	70	40	BCIB	
O=S(=O)(F)c1ccc(Cn2ccnn2)cc1	521398317	ILPSIEQUZIEYRH-UHFFFAOYSA-N	241.247	0.985	70	40	BCIB	
CC(C)(C)OC(=O)C1CN(S(=O)(=O)F)C1	2113469525	LBOZDTLQKXITTH-UHFFFAOYSA-N	239.268	0.474	70	40	BCIB	
CCn1cc(S(=O)(=O)Cl)c(COC)n1	408715622	XPHIAMGQSXDVPD-UHFFFAOYSA-N	238.696	0.977	70	40	BCIB	
CC(=O)Nc1ccc(NC(=O)CC(=N)N)cc1	217749046	HLUVFTAKIQEIAA-UHFFFAOYSA-N	234.259	0.910	70	40	BCIB	
COc1ccc(NC(=O)CC(=N)N)cc1OC	217747812	MVYMVYHGPOHPNI-UHFFFAOYSA-N	237.259	0.968	70	40	BCIB	
CCOC(=O)c1cc(S(=O)(=O)Cl)[nH]n1	100026942	AQSLQVMVVMEJMB-UHFFFAOYSA-N	238.652	0.514	70	40	BCIB	
CS(=O)(=O)N(CC(=N)N)c1ccccc1F	217347624	IXFLCLHZXWSWKC-UHFFFAOYSA-N	245.279	0.528	70	40	BCIB	
O=S(=O)(Cl)CCCn1ccnc1	110752706	JZCIYRDUGOYUFP-UHFFFAOYSA-N	208.670	0.842	70	40	BCIB	
O=S(=O)(Cl)n1cc(Br)cn1	59211821	SAEVKHAYAPOABE-UHFFFAOYSA-N	245.485	0.977	70	40	BCIB	
C[C@@H]1CCC[C@H](CO)N1CCOC(=O)N(C)C	159398484	ISQGCOZFVDVUON-GHMZBOCLSA-N	244.335	0.920	70	40	BCIB	
O=S(=O)(Cl)CCS(=O)(=O)Cl	100023511	VRHMNTYGRQBMGR-UHFFFAOYSA-N	227.090	0.124	70	40	BCIB	
CCOCc1nn(C)cc1S(=O)(=O)Cl	408715423	NJFLHZIJAZMLQF-UHFFFAOYSA-N	238.696	0.884	70	40	BCIB	
C[C@H]1CCC[C@@H](CO)N1CCOC(=O)N(C)C	159398916	ISQGCOZFVDVUON-QWRGUYRKSA-N	244.335	0.920	70	40	BCIB	
COC(=O)c1ccncc1S(=O)(=O)F	675064566	LKOHZYVOQJNLMQ-UHFFFAOYSA-N	219.193	0.526	70	40	BCIB	
COC(=O)c1c(C)n[nH]c1S(=O)(=O)F	97972439	RENVJHNIZZCWLB-UHFFFAOYSA-N	222.197	0.163	70	40	BCIB	
CCS(=O)(=O)N(CC(=N)N)c1ccccc1	217348517	ADDNYQUHFLBDCV-UHFFFAOYSA-N	241.316	0.779	70	40	BCIB	
O=C(O)c1cc(S(=O)(=O)Cl)c[nH]1	59131327	ALUJALXDRRFASD-UHFFFAOYSA-N	209.610	0.640	70	40	BCIB	in-vitro
Cc1[nH]nc(C(=O)O)c1S(=O)(=O)Cl	100634165	ZALBGUDWOJPTJJ-UHFFFAOYSA-N	224.625	0.344	70	40	BCIB	in-vitro
CO[C@H]1CC[C@](CCNC(C)=O)(OC)O1	217480759	XYMCHAPFIUTAOE-ZJUUUORDSA-N	217.265	0.638	70	40	BCIB	
Cn1c(P(=O)(O)O)nc2c1CCCCC2	217696090	WJXLZALVXCBFHN-UHFFFAOYSA-N	230.204	0.492	70	40	BCIB	
COCCOCCS(=O)(=O)Cl	100451220	KOZZDLZQMLPWDR-UHFFFAOYSA-N	202.659	0.218	70	40	BCIB	in-vitro
CC(C)(C(=O)N1CCCC1)S(=O)(=O)Cl	103605081	HDHOGSBPWMPHCS-UHFFFAOYSA-N	239.724	0.956	70	40	BCIB	
O=S(=O)(F)CCCS(=O)(=O)Cl	97972428	QYMPXFWYIPVYNF-UHFFFAOYSA-N	224.662	0.244	70	40	BCIB	in-vitro
O=[N+]([O-])c1ccc(S(=O)(=O)Cl)cn1	100631354	VPVWJORISZTRPU-UHFFFAOYSA-N	222.609	0.917	70	40	BCIB	in-vitro
CCCCNCCC[SiH2]C(OC)OC	201092925	UAMJSSPAMZGBMD-UHFFFAOYSA-N	219.401	0.930	70	40	BCIB	
COC(=O)c1cccnc1S(=O)(=O)F	306628888	KZCLRIRTELWVGH-UHFFFAOYSA-N	219.193	0.526	70	40	BCIB	
COc1ncc(S(=O)(=O)Cl)cn1	108320184	PPSVRMUAEMFSAC-UHFFFAOYSA-N	208.626	0.413	70	40	BCIB	
COCCS(=O)(=O)Br	103603664	GLTKOVIFFGYHIF-UHFFFAOYSA-N	203.057	0.358	70	40	BCIB	
CN(C)C1CCN(S(=O)(=O)F)CC1	1776011256	WMYUBJPHOVSLHX-UHFFFAOYSA-N	210.274	0.227	70	40	BCIB	
COC(=O)c1cncc(S(=O)(=O)Cl)c1	100180849	MRZZIJUGMGGPLK-UHFFFAOYSA-N	235.648	0.796	70	40	BCIB	
O=[N+]([O-])c1ccc(S(=O)(=O)F)cn1	238851101	FAURVWBGSNUYJN-UHFFFAOYSA-N	206.154	0.648	70	40	BCIB	
N=C(N)CC(=O)Nc1ccc2c(c1)OCCO2	217748031	LUVKYDGVFDRCCL-UHFFFAOYSA-N	235.243	0.722	70	40	BCIB	
COc1ccc(S(=O)(=O)Cl)cc1C(N)=O	100513151	KGQMQWVIFWNFLZ-UHFFFAOYSA-N	249.675	0.722	70	40	BCIB	
C[C@@H]1COCCN1CCCS(=O)(=O)Cl	110752697	MMJJMVVDZZSFTA-MRVPVSSYSA-N	241.740	0.666	70	40	BCIB	
O=S(=O)(F)N1C[C@@H]2[C@H](C1)C2(F)F	1776011236	UWNCFDZICFXCQW-ZXZARUISSA-N	201.169	0.398	70	40	BCIB	
COC(=O)CS[C@H]1CCN(C(=O)C2CC2)C1	217549982	FVNVYSUDNMCPNF-VIFPVBQESA-N	243.328	0.904	70	40	BCIB	
CCOC(=O)C[C@@H](C)S(=O)(=O)Cl	104549683	BBKCFINXSSTREH-RXMQYKEDSA-N	214.670	0.897	70	40	BCIB	
O=S(=O)(F)c1ncnc2nc[nH]c12	44280321	FWHCGYKYNIYIHJ-UHFFFAOYSA-N	202.170	0.011	70	40	BCIB	
C[C@H](C(=O)N1CCCC1)S(=O)(=O)Cl	157452997	XVRHUTRRBZKHOB-ZCFIWIBFSA-N	225.697	0.566	70	40	BCIB	
O=S(=O)(F)c1ccccc1Cn1cncn1	101463456	GERCDYZOYGUZDM-UHFFFAOYSA-N	241.247	0.985	70	40	BCIB	
Cn1cc(S(=O)(=O)F)c(C2CCOCC2)n1	1536215605	YYBHKWNIPRVZBL-UHFFFAOYSA-N	248.279	0.972	70	40	BCIB	
COC[C@H](C)NC(=O)[C@H]1CCCN(C)C1	216913522	BEIYUPIGNPDBFC-UWVGGRQHSA-N	214.309	0.479	70	40	BCIB	
N=C(N)c1ccc(OCC(=O)N2CCCC2)cc1	217690145	ZJHFUZBMPCYHHG-UHFFFAOYSA-N	247.298	0.972	70	40	BCIB	
COc1ccc(OC)c(NC(=O)CC(=N)N)c1	217747697	LFPHNZAMNYAZBG-UHFFFAOYSA-N	237.259	0.968	70	40	BCIB	
NC(=O)N1CCc2cc(S(=O)(=O)F)ccc21	100586485	OSKJQBVEDIRLHR-UHFFFAOYSA-N	244.247	0.786	70	40	BCIB	in-vitro
CCn1nc(C(=O)OC)cc1C(=O)OC	161095061	VZBRPIMRMOWKRT-UHFFFAOYSA-N	212.205	0.476	70	40	BCIB	
CC(C)(C)OC(=O)NS(=O)(=O)Cl	59262241	KAJZZLBZXOBEMD-UHFFFAOYSA-N	215.658	0.995	70	40	BCIB	
C[B-]1(C)n2ccc[n+]2[B-](C)(C)[n+]2cccn21	195759605	FQKONKJRKPASKT-UHFFFAOYSA-N	215.906	0.374	70	40	BCIB	
COC(=O)c1cc(S(=O)(=O)Cl)n(C)n1	100804931	UHTIJWIODPIPDC-UHFFFAOYSA-N	238.652	0.134	70	40	BCIB	
CS(=O)(=O)N(CC(=N)N)c1cccc(F)c1	217347501	QUTLXMMSCMPBAD-UHFFFAOYSA-N	245.279	0.528	70	40	BCIB	
Cc1ccccc1N(CC(=N)N)S(C)(=O)=O	217347274	QCZQCYNSDANOOA-UHFFFAOYSA-N	241.316	0.697	70	40	BCIB	
COCCCc1cc(O)nc(CCOC)n1	217786466	PSWBDJVJRFBEJJ-UHFFFAOYSA-N	226.276	0.950	70	40	BCIB	
CCOC(=O)[C@@H](CC)S(=O)(=O)Cl	104549708	PRMTYCQEJFNIBM-RXMQYKEDSA-N	214.670	0.897	70	40	BCIB	
O=S(=O)(Cl)N1CCC[C@@H](F)C1	97976203	BKNOYLBRIDZLQC-RXMQYKEDSA-N	201.650	0.904	70	40	BCIB	
C[C@@H](C(=O)N1CCCC1)S(=O)(=O)Cl	157452838	XVRHUTRRBZKHOB-LURJTMIESA-N	225.697	0.566	70	40	BCIB	
COC[C@@H](C)NC(=O)[C@@H]1CCCN(C)C1	216913450	BEIYUPIGNPDBFC-NXEZZACHSA-N	214.309	0.479	70	40	BCIB	
O=C1CCCCN1CCCS(=O)(=O)Cl	110752671	XMEZZCHRQZUGJJ-UHFFFAOYSA-N	239.724	0.958	70	40	BCIB	
NC(=O)c1cccc(S(=O)(=O)F)c1	198912832	AGSRSOAZHFIEIW-UHFFFAOYSA-N	203.194	0.444	70	40	BCIB	
O=S(=O)(F)N1CC[C@@H]2[C@H](C1)C2(F)F	1776011149	AMRNADSZXJMDJZ-UHNVWZDZSA-N	215.196	0.788	70	40	BCIB	
COc1ccc(CCNC(=O)CC(=N)N)cc1	217741301	HDXMBRMXUFUAAW-UHFFFAOYSA-N	235.287	0.680	70	40	BCIB	
CCOC(=O)[C@H](CC)S(=O)(=O)Cl	104549704	PRMTYCQEJFNIBM-YFKPBYRVSA-N	214.670	0.897	70	40	BCIB	
NC(=O)COc1ccc(/C=C\[N+](=O)[O-])cc1	218260236	QFLIVBUMCSSWFE-WAYWQWQTSA-N	222.200	0.798	70	40	BCIB	
CCOC(=O)C(C)(C)S(=O)(=O)Cl	100507374	JDPDYSDJJGMSED-UHFFFAOYSA-N	214.670	0.897	70	40	BCIB	in-vitro
CCOCCOS(=O)(=O)C(F)(F)F	59714310	RJYPTKAJRGPMMM-UHFFFAOYSA-N	222.184	0.889	70	40	BCIB	
CN(C1CCOCC1)S(=O)(=O)Cl	59373190	ZWWBGYONISXJSE-UHFFFAOYSA-N	213.686	0.581	70	40	BCIB	in-vitro
Cc1ccc(CNC(=O)CC(=N)N)cc1	217740441	JKUJPMXKHOUZBE-UHFFFAOYSA-N	205.261	0.937	70	40	BCIB	
CN(C)C(=O)c1cccnc1S(=O)(=O)Cl	104085639	BCZIPIDWLIDQGG-UHFFFAOYSA-N	248.691	0.711	70	40	BCIB	
CC(C)(C)NC(=O)OS(=O)(=O)Cl	224166796	KTOCCOVRPVBVMJ-UHFFFAOYSA-N	215.658	0.995	70	40	BCIB	
CCOC(=O)c1ccc(=O)n(CCOC)c1C	218271720	IJPPYBZIAJNOFM-UHFFFAOYSA-N	239.271	0.980	70	40	BCIB	
O=C1COc2ccc(S(=O)(=O)F)cc2N1	105876645	MEOXQVRGKUOCKC-UHFFFAOYSA-N	231.204	0.676	70	40	BCIB	
O=S(=O)(F)N1CCC2(CC1)COC2	1776011215	QAZMJYOQDHHUKY-UHFFFAOYSA-N	209.242	0.313	70	40	BCIB	
Cc1cc(=O)[nH]c(=O)n1C[C@@H]1CCCO1	218294301	JSBKYRKHUPQNEK-QMMMGPOBSA-N	210.233	0.024	70	40	BCIB	
CN1CCOc2cc(S(=O)(=O)Cl)cnc21	100009653	OCVVGDZOPPMLIB-UHFFFAOYSA-N	248.691	0.838	70	40	BCIB	
NC(=O)Cc1ccc(S(=O)(=O)Cl)s1	108311249	XUKWKPLARLFETL-UHFFFAOYSA-N	239.705	0.703	70	40	BCIB	
O=C(c1ccccn1)N1CC(n2ccnn2)C1	217712383	CBOJFDFHBMKWSA-UHFFFAOYSA-N	229.243	0.370	70	40	BCIB	
O=S(=O)(F)N1C[C@H]2[C@H](C1)C2(F)F	1776011234	UWNCFDZICFXCQW-IMJSIDKUSA-N	201.169	0.398	70	40	BCIB	
COCCCOS(=O)(=O)C(F)(F)F	110753570	KHEXYBIKHGGSQE-UHFFFAOYSA-N	222.184	0.889	70	40	BCIB	
COC(=O)c1[nH]nc(C(F)F)c1C(=O)OC	217780509	WSRYBFRSVJAWNE-UHFFFAOYSA-N	234.158	0.921	70	40	BCIB	
CC(=O)Nc1ccc(O)c(OS(=O)(=O)O)c1	218290393	NDPMYWVQKBUNEL-UHFFFAOYSA-N	247.228	0.532	70	40	BCIB	in-vitro
CO[C@H]1CC[C@@](CCNC(C)=O)(OC)O1	217480601	XYMCHAPFIUTAOE-NXEZZACHSA-N	217.265	0.638	70	40	BCIB	
COCCn1ccc(CS(=O)(=O)Cl)n1	110765116	ZZXYBMYIPPDFQR-UHFFFAOYSA-N	238.696	0.598	70	40	BCIB	
C[C@H]1CCC[C@H](CO)N1CCOC(=O)N(C)C	159398660	ISQGCOZFVDVUON-WDEREUQCSA-N	244.335	0.920	70	40	BCIB	
COC(=O)C[C@@H](C)S(=O)(=O)Cl	59313869	KMPWMWOHXAFNTH-SCSAIBSYSA-N	200.643	0.507	70	40	BCIB	
Cn1cc(S(=O)(=O)Cl)cc1C(N)=O	100567622	AXBOCAUMNPHCFS-UHFFFAOYSA-N	222.653	0.052	70	40	BCIB	in-vitro
COC(=O)[C@H]1CC[C@H]1S(=O)(=O)Cl	97972404	XSEPQMRTNQIYLC-CRCLSJGQSA-N	212.654	0.507	70	40	BCIB	
CCN(CC)C(=O)CS(=O)(=O)Cl	97972431	FXUGFUMLZJGERA-UHFFFAOYSA-N	213.686	0.423	70	40	BCIB	in-vitro
Cc1cc(=O)[nH]c(=O)n1Cc1cccnc1	218293717	LXTGHVAZEZVSDZ-UHFFFAOYSA-N	217.228	0.288	70	40	BCIB	
COC(=O)c1ccc(NC(=O)CC(=N)N)cc1	217748691	OAUFMAOLJLQQBA-UHFFFAOYSA-N	235.243	0.738	70	40	BCIB	
CCOC(=O)c1cccnc1S(=O)(=O)F	100457830	DMHAOHYMEZLHNR-UHFFFAOYSA-N	233.220	0.917	70	40	BCIB	in-vitro
COC(=O)c1ncccc1S(=O)(=O)F	675064246	FCPPGSNQGBTBQS-UHFFFAOYSA-N	219.193	0.526	70	40	BCIB	
O=S(=O)(Oc1cccnn1)C(F)(F)F	100040013	FNBIAQKEPYUKHX-UHFFFAOYSA-N	228.151	0.705	70	40	BCIB	
CN1CCC(OS(=O)(=O)C(F)(F)F)CC1	110753623	BAERWFDFXAPSSG-UHFFFAOYSA-N	247.238	0.947	70	40	BCIB	
O=c1oc2ccccc2n1CCS(=O)(=O)F	100493968	HNFBNDGFOXBCDQ-UHFFFAOYSA-N	245.231	0.894	70	40	BCIB	
COC(=O)c1ccc(OCC(=N)N)c(OC)c1	217369341	DPNPCFPNXTZTPN-UHFFFAOYSA-N	238.243	0.797	70	40	BCIB	
CCn1nccc1CS(=O)(=O)Cl	110765095	BFIZDEHPIKBYMZ-UHFFFAOYSA-N	208.670	0.972	70	40	BCIB	
O=C1CCC(=O)N1CC(=O)N1[C@H]2C=CC[C@H]1CC2	218693513	VBFUTHGFDXQLDV-UWVGGRQHSA-N	248.282	0.455	70	40	BCIB	
NC(=O)Cc1c(-c2cccs2)n[nH]c1N	217815633	ITTQUNHGLYSHKB-UHFFFAOYSA-N	222.273	0.748	70	40	BCIB	
Cn1nc(C(=O)N2CCCC2)c2c1CNCC2	216859778	ZOAOJKLSTJNZIG-UHFFFAOYSA-N	234.303	0.302	70	40	BCIB	
O=C1COc2cc(S(=O)(=O)Cl)ccc2N1	100908510	VKPIVQBWGKJCAB-UHFFFAOYSA-N	247.659	0.945	70	40	BCIB	
Cc1ccc(N(CC(=N)N)S(C)(=O)=O)cc1	217347039	XVBKHWPPXZBFJG-UHFFFAOYSA-N	241.316	0.697	70	40	BCIB	
COC(=O)[C@@H]1CC[C@@H]1S(=O)(=O)Cl	97972401	XSEPQMRTNQIYLC-UHNVWZDZSA-N	212.654	0.507	70	40	BCIB	
CO[C@@H]1CC[C@](CCNC(C)=O)(OC)O1	217480682	XYMCHAPFIUTAOE-UWVGGRQHSA-N	217.265	0.638	70	40	BCIB	
O=C(NC1CC1)[C@H]1CC[C@H](Cn2cnnn2)CC1	217954899	KJEQRTFQPFJODI-AOOOYVTPSA-N	249.318	0.758	70	40	BCIB	
COCCn1cc(S(=O)(=O)Cl)c(C)n1	103635866	FNWZNNUOGQTXNB-UHFFFAOYSA-N	238.696	0.765	70	40	BCIB	
Cc1nn(C)c(F)c1S(=O)(=O)Cl	238853773	KYCXSJDLHKJJRX-UHFFFAOYSA-N	212.633	0.795	70	40	BCIB	
COC(=O)c1cncc(S(=O)(=O)F)c1	675065410	GLHLPOWAFXRHDN-UHFFFAOYSA-N	219.193	0.526	70	40	BCIB	
O=C(O)c1ccc(S(=O)(=O)Cl)o1	100088349	WVFYXOXRJDCQRV-UHFFFAOYSA-N	210.594	0.905	70	40	BCIB	in-vitro