smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N(C)C[C@@H]1CCC[C@@H]1O	159799041	AVCQZFDYDREKLZ-XQHKEYJVSA-N	318.439	-0.229	70	20	DBID	
CC[C@@H](C)[C@H](O)CNC(=O)c1ccnc2c(C(N)=O)cnn12	160035464	IMNXETVELXMCCD-LDYMZIIASA-N	305.338	-0.035	70	20	DBID	
COCC(=O)N1CC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	999956547	YTJWCPSGVRYKFC-UHFFFAOYSA-N	319.314	-0.740	70	20	DBID	
CN(C)CCN1C[C@@H](C(=O)N2C[C@@H]3CCC[C@H](C2)N3)CC1=O	159917093	BXIKZLVWROHELT-MELADBBJSA-N	308.426	-0.251	70	20	DBID	
C[C@@]1(C(=O)N2CCCN(S(C)(=O)=O)CC2)CCCNC1	161326855	UHDPLDHGMHLYKV-CYBMUJFWSA-N	303.428	-0.130	70	20	DBID	
COC(=O)CCCS(=O)(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1	160148783	OLZCIMVLUYNKEK-GHMZBOCLSA-N	318.395	-0.130	70	20	DBID	
Cc1nc(C(=O)NCC2CCN(CCO)CC2)c(=O)[nH]c1C	160006911	XHLONEFQNFQSSV-UHFFFAOYSA-N	308.382	-0.179	70	20	DBID	
COCC[C@@H](NC(=O)c1cccc(S(=O)(=O)F)c1)C(N)=O	1262732286	BKBFASGFXIMJOS-SNVBAGLBSA-N	318.326	-0.035	70	20	DBID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC(N2CC[C@@H](O)C2)C1	1346848068	GJTPCQUSUYVQJN-SECBINFHSA-N	317.342	-0.436	70	20	DBID	
CC(C)S(=O)(=O)CCCN1CCN(S(C)(=O)=O)CC1	160596768	BCDXPAMIBBENKH-UHFFFAOYSA-N	312.457	-0.223	70	20	DBID	
Cn1cc([C@@H](O)CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)cn1	1123744381	WEBFUCGZTWTFHH-JTQLQIEISA-N	316.314	-0.130	70	20	DBID	
CCN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CN(CCO)C1	951760707	IUNVJHSOUYLPJG-UHFFFAOYSA-N	319.358	-0.189	70	20	DBID	
C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H](CO)O1	1346929572	RSWSCHJQDKFVJM-HTQZYQBOSA-N	306.315	-0.105	70	20	DBID	
Cn1cnnc1CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1520866600	YGSFKOHWHLQAPG-UHFFFAOYSA-N	301.303	-0.226	70	20	DBID	
C[C@@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CN(CCO)C1	970435781	CXZOXPQTXRAWIU-MRVPVSSYSA-N	319.358	-0.285	70	20	DBID	
C[C@@H](O)CN1CC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1030972316	XBILWMZOYROTQD-SSDOTTSWSA-N	305.331	-0.532	70	20	DBID	
C[C@H](O)CN[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	969990944	BFSIDAURKFQKHB-DTWKUNHWSA-N	319.358	-0.142	70	20	DBID	
C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@H](N)C1	160244273	QASRUNHRUIAFLV-VHSXEESVSA-N	322.390	-0.327	70	20	DBID	
CSC[C@](C)(O)CNC(=O)[C@@H]1CCCN1S(C)(=O)=O	217672353	QQDLFGAIFOVBMM-GXSJLCMTSA-N	310.441	-0.359	70	20	DBID	
COCCNC(=O)Cn1cc(NC(=O)C[C@H]2CCCN2)cn1	160715762	FEJMNEMQOJUJCQ-LLVKDONJSA-N	309.370	-0.274	70	20	DBID	
CCS(=O)(=O)N1CCC(C(=O)N(CCO)CCOC)CC1	160642918	GODYAXBJXDQCIL-UHFFFAOYSA-N	322.427	-0.485	70	20	DBID	
C[C@H]1C[C@H](NCCO)CN1C(=O)c1cc(S(=O)(=O)F)c[nH]1	989454079	QGCKELWBPLTQDP-IUCAKERBSA-N	319.358	-0.142	70	20	DBID	
O=C(O)[C@@H]1C[C@@H](O)CN1C(=O)c1cc(S(=O)(=O)F)c[nH]1	1608810468	ZPCRNCCKWFLSLX-XRGYYRRGSA-N	306.271	-0.667	70	20	DBID	
CCOC(=O)c1[nH]c(C)c(S(=O)(=O)NCCC(N)=O)c1C	159514353	CADYUJPEUBHRGM-UHFFFAOYSA-N	317.367	-0.038	70	20	DBID	
CC(C)(C)N1C[C@H](NC(=O)N[C@H]2CCS(=O)(=O)C2)CC1=O	217285892	QKGBUGHSWGWLAV-VHSXEESVSA-N	317.411	-0.128	70	20	DBID	
COC[C@@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(=O)OC	1519745380	KZKOSDVYCMJOMJ-MRVPVSSYSA-N	308.287	-0.409	70	20	DBID	
COC(=O)[C@@H](O)CNC(=O)CCNC(=O)c1ccsc1	217681971	MSQYUZLIDSTZHS-VIFPVBQESA-N	300.336	-0.482	70	20	DBID	
C[C@@H](O)CN[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	969990946	BFSIDAURKFQKHB-RKDXNWHRSA-N	319.358	-0.142	70	20	DBID	
CC(C)(CO)CNS(=O)(=O)c1cccc(S(N)(=O)=O)c1	160356780	USGURSMOBDBISI-UHFFFAOYSA-N	322.408	-0.369	70	20	DBID	
CC(C)C[C@H](CO)NC(=O)c1cnc2[nH]c(=O)[nH]c(=O)c2c1	160920130	WPJDQDGIJCOQGZ-SECBINFHSA-N	306.322	-0.252	70	20	DBID	
CC(C)(C)N1C[C@@H](NC(=O)NCCN2CCNCC2)CC1=O	217285741	OJKMCUISAJOIGF-LBPRGKRZSA-N	311.430	-0.410	70	20	DBID	
C[C@H](CO)N(C)C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1	160434316	RFVIWXSIOPBBGP-ZWNOBZJWSA-N	304.350	-0.054	70	20	DBID	
O=C(NCCN1CC[C@H](O)C1)c1cc(S(=O)(=O)F)c[nH]1	1350017400	YZEBNULPFVMQKY-QMMMGPOBSA-N	305.331	-0.531	70	20	DBID	
C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N(C)C[C@H](O)C1CC1	160864569	IEFHFADYYGLZPF-JLLWLGSASA-N	304.412	-0.619	70	20	DBID	
CCOC(=O)[C@H](CO)NC(=O)[C@@H](C)NC(=O)OC(C)(C)C	218104006	MXTJTNADQRRQPH-BDAKNGLRSA-N	304.343	-0.060	70	20	DBID	
COc1cc(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)nn1C	2088602543	LOKQNXVTGWYGOP-ZETCQYMHSA-N	306.319	-0.553	70	20	DBID	
Cn1cc(S(=O)(=O)N2CCC(C)(O)CC2)cc1C(N)=O	160612571	QVXKOXAEOFDVQX-UHFFFAOYSA-N	301.368	-0.341	70	20	DBID	
COC[C@H](O)CCNC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1	161138209	YXBNNRWLHXKZRB-DTWKUNHWSA-N	312.288	-0.089	70	20	DBID	
C[C@H](O)CN[C@H]1C[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1022730264	BDHWMHKGCLCBNL-XHNCKOQMSA-N	319.358	-0.096	70	20	DBID	
Cn1cc(S(=O)(=O)NCC(=O)N[C@@H]2CCC[C@H](N)C2)cn1	161310030	CPBLUUMDSBYWHU-VHSXEESVSA-N	315.399	-0.916	70	20	DBID	
NC(=O)C1(O)CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1	1528215556	SCBXGTZSXJUKFS-UHFFFAOYSA-N	319.314	-0.875	70	20	DBID	
COCCN(CCO)C(=O)CCCN1C(=O)CN(C)C1=O	160605772	XUUPJMGXECFYKV-UHFFFAOYSA-N	301.343	-0.872	70	20	DBID	
O=C(NC[C@@H]1CCN(CCO)C1)c1cc(S(=O)(=O)F)c[nH]1	1028809127	RQLQQWUMGRPJAY-VIFPVBQESA-N	319.358	-0.283	70	20	DBID	
CS(=O)(=O)CCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1348384674	LKSOTNPDIHVEQA-UHFFFAOYSA-N	312.344	-0.163	70	20	DBID	
CN1CC[C@@H](N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1=O	1263791266	NWWRYYCTOPCRKP-SECBINFHSA-N	303.315	-0.024	70	20	DBID	
O=C(CCC(=O)N1CCN(c2ccccn2)CC1)NCCO	159427554	NAMUBHYYASGJFO-UHFFFAOYSA-N	306.366	-0.381	70	20	DBID	
O=S(=O)(c1cccc(-n2cnnn2)c1)N1CCC[C@H]1CO	159858380	REXPPJHTZNFCCT-NSHDSACASA-N	309.351	-0.192	70	20	DBID	
C[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@@H](C(=O)O)O1	1599924550	NKVOBEAHYKHLSI-RCOVLWMOSA-N	320.298	-0.013	70	20	DBID	
C[C@@H](O)CN1CC[C@@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1038710952	RWYQQFIBFCSTOR-RKDXNWHRSA-N	319.358	-0.142	70	20	DBID	
Cc1noc([C@H]2COCCN2C[C@H](O)CN2CCOCC2)n1	161028217	KGSLZRCTBLLFBV-CHWSQXEVSA-N	312.370	-0.556	70	20	DBID	
CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@H]1CCS(=O)(=O)C1	1345451455	JTZDMDAXFRMXLO-ZETCQYMHSA-N	324.355	-0.068	70	20	DBID	
CCN1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@@H](O)C1	1090575054	AWBDRXQNLNJDJH-ONGXEEELSA-N	319.358	-0.142	70	20	DBID	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)c1cnn2c1CCC2	2088602556	MLCKYFBCSQXRJS-QMMMGPOBSA-N	302.331	-0.152	70	20	DBID	
CCn1cc(S(=O)(=O)NC[C@@](C)(O)CN(C)C)nc1C	218090743	LGRCREBJWXAVBD-GFCCVEGCSA-N	304.416	-0.198	70	20	DBID	
CN(C)C(=O)CNCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1133975915	DEAUAMFXVPWEAT-UHFFFAOYSA-N	320.346	-0.920	70	20	DBID	
COc1cc(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)nn1C	2088602542	LOKQNXVTGWYGOP-SSDOTTSWSA-N	306.319	-0.553	70	20	DBID	
NC(=O)c1cnn2c(C(=O)N[C@@H]3CCCC[C@@H]3O)ccnc12	159805088	YRFQYMYWSWHQPG-KOLCDFICSA-N	303.322	-0.139	70	20	DBID	
CCS(=O)(=O)NCCNC(=O)c1cnc2c(c1)ncn2C	160098922	LYEVOZJVFFOQRW-UHFFFAOYSA-N	311.367	-0.363	70	20	DBID	
COCCN(CCO)C(=O)C1CCN(C(=O)N(C)C)CC1	160653642	NQHQQPICDYVGGH-UHFFFAOYSA-N	301.387	-0.153	70	20	DBID	
COC(=O)[C@@H](O)CNC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12	217733373	ABMNYVZWXFFXCV-LWINAJNOSA-N	302.352	-0.910	70	20	DBID	
CN(C)C(=O)Cn1cc(C(=O)N(C)Cc2cccn2C)nn1	160471253	HIVBFJFICAHUDU-UHFFFAOYSA-N	304.354	-0.023	70	20	DBID	
O=C1CC[C@@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)C3)CC[C@@H]2N1	160677416	QFDTVWQZZPZYTK-MXWKQRLJSA-N	300.380	-0.452	70	20	DBID	
CCn1cc(S(=O)(=O)NCC2CCN(CCO)CC2)cn1	161412259	HQNKDDPNPJFCSU-UHFFFAOYSA-N	316.427	-0.114	70	20	DBID	
CCN1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1=O	1338260051	IQAHHAUPMHQQPP-UHFFFAOYSA-N	303.315	-0.023	70	20	DBID	
O=C(CO)N1CCN(C(=O)Nc2cnn(CC(F)F)c2)CC1	161491518	VQXQQFUNPVAOKC-UHFFFAOYSA-N	317.296	-0.183	70	20	DBID	
NC(=O)[C@@H]1CC[C@@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)O1	1123741541	AGWYZKSUSZUWOP-RCOVLWMOSA-N	319.314	-0.564	70	20	DBID	
CN1CC[C@@H](NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1=O	160496361	KRYAPVZYNUGLGY-SECBINFHSA-N	310.335	-0.635	70	20	DBID	
COC(=O)CCN(C)S(=O)(=O)N(C)CC1(O)CCOCC1	161474038	WXFKJPQSFZPVGR-UHFFFAOYSA-N	324.399	-0.801	70	20	DBID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCN2C(=O)NC[C@@H]2C1	1346642318	QZSJRWSCYPMEOS-SSDOTTSWSA-N	316.314	-0.478	70	20	DBID	
CCNC(=O)NCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1520006545	HYAVDZPPGXFJBQ-UHFFFAOYSA-N	306.319	-0.278	70	20	DBID	
C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C3(N)CC3)cn2)C[C@@H](C)O1	160708348	NIAFZKHPQHJHDV-GHMZBOCLSA-N	321.381	-0.051	70	20	DBID	
COC(=O)[C@H](O)CNC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1	217739599	JFHIGRHVGUVLQK-NKWVEPMBSA-N	312.244	-0.953	70	20	DBID	
CCn1c(=O)[nH]c2cc(C(=O)N3CC[C@@H](N)C3)ccc2c1=O	160208558	ZXEXYOICBFDONT-SNVBAGLBSA-N	302.334	-0.117	70	20	DBID	
C[C@H](CO)CNC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21	160472080	IFGPXBQLFFGFJK-JTQLQIEISA-N	305.334	-0.176	70	20	DBID	
C[C@@H]1OCC[C@@]1(O)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1351946931	RMZORTWQWZFZTE-WRWORJQWSA-N	306.315	-0.057	70	20	DBID	
COC1(C(=O)N2CCN(c3cnn(C)c3)C(=O)C2)CCNCC1	159388364	JCENFSKHOKTZQW-UHFFFAOYSA-N	321.381	-0.636	70	20	DBID	
COC(=O)c1ccc(F)cc1S(=O)(=O)N1CCNC(=O)C1	218053003	PPRDGRCIXYNRCA-UHFFFAOYSA-N	316.310	-0.267	70	20	DBID	
COCC[C@H](NC(=O)c1ccc(S(=O)(=O)F)cc1)C(N)=O	864240953	FRPLFEXCFCUGTE-JTQLQIEISA-N	318.326	-0.035	70	20	DBID	
Cc1cc(N[C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)nn1C	159611094	DWXQPOSADGVHIW-QMMMGPOBSA-N	320.353	-0.609	70	20	DBID	
O=S(=O)(NC[C@@H](O)Cc1ccccc1)N1CCOCC1	161073226	SVBWKUWDCXNJFP-ZDUSSCGKSA-N	300.380	-0.243	70	20	DBID	
C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCNCC1	159381585	JUDQMAUCASGRPY-JTQLQIEISA-N	322.390	-0.455	70	20	DBID	
Cc1[nH]ncc1CCCNC(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1	160238163	LSMBWHFFAFTHCS-RYUDHWBXSA-N	309.370	-0.017	70	20	DBID	
CNCC(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1	160710395	SRNFNJHKJNFVQC-GHMZBOCLSA-N	309.370	-0.323	70	20	DBID	
COCCNC(=O)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1346291292	PMNYKTZBJZBLTJ-UHFFFAOYSA-N	307.303	-0.835	70	20	DBID	
CN(C)C[C@@]1(O)CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1520422536	IXPCVPYUSGDFDQ-LBPRGKRZSA-N	319.358	-0.189	70	20	DBID	
COC[C@@H](O)CCNC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1	161138305	YXBNNRWLHXKZRB-IUCAKERBSA-N	312.288	-0.089	70	20	DBID	
O=S(=O)(NC[C@H](O)Cc1ccccc1)N1CCOCC1	161073341	SVBWKUWDCXNJFP-CYBMUJFWSA-N	300.380	-0.243	70	20	DBID	
COC(=O)CCCS(=O)(=O)N(C)CC1(O)CCOCC1	161474190	GLPZCVQKDRWJNE-UHFFFAOYSA-N	309.384	-0.257	70	20	DBID	
O=C(NC1CCS(=O)(=O)CC1)c1cc(S(=O)(=O)F)c[nH]1	1347188835	HXFDOKYHZWSKQE-UHFFFAOYSA-N	324.355	-0.020	70	20	DBID	
O=C(N[C@@H]1CCCN(CCO)C1)c1cc(S(=O)(=O)F)c[nH]1	1008546694	KWBMBVZQNQBXLF-SECBINFHSA-N	319.358	-0.141	70	20	DBID	
C[C@H]1CN(C(=O)Cn2cc(NC(=O)C3(N)CC3)cn2)C[C@H](C)O1	160708238	NIAFZKHPQHJHDV-QWRGUYRKSA-N	321.381	-0.051	70	20	DBID	
C[C@@H](O)CN[C@H]1C[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1020598932	BDHWMHKGCLCBNL-IWSPIJDZSA-N	319.358	-0.096	70	20	DBID	
CS(=O)(=O)[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1349611649	NVJZONUSFVZZIC-ZETCQYMHSA-N	324.355	-0.068	70	20	DBID	
COC(=O)[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CCO1	1348647681	UUSWPZHCPBQWQK-VIFPVBQESA-N	320.298	-0.313	70	20	DBID	
O=C(NC[C@H]1CCCS1(=O)=O)c1cc(S(=O)(=O)F)c[nH]1	1337489552	BUFWXNNLYYHTDV-SSDOTTSWSA-N	324.355	-0.020	70	20	DBID	
NC(=O)N1CC[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1351946637	OFZLUMFEFUBRSP-SSDOTTSWSA-N	318.330	-0.197	70	20	DBID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC[C@H](O)[C@H](CO)C1	1349622042	APYXRMUBDSPQSP-XVKPBYJWSA-N	306.315	-0.512	70	20	DBID	
O=C(O)[C@@H]1[C@H](O)CCCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1	1601755989	AIFITJARAFASJG-BDAKNGLRSA-N	320.298	-0.277	70	20	DBID	
C[C@@H](CNS(=O)(=O)C[C@@H]1CCOC1)CN1CCOCC1	160376380	LLIJZEWIJYDWBR-QWHCGFSZSA-N	306.428	-0.089	70	20	DBID	
C[C@@H](CNS(=O)(=O)c1cnn(C)c1)CN1CCOCC1	160395074	NUFMLEBPCRHGDU-NSHDSACASA-N	302.400	-0.333	70	20	DBID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCN(CCCO)CC1	950561393	BMKDMZXGHAOEID-UHFFFAOYSA-N	319.358	-0.187	70	20	DBID	
C[C@@H](O)CN1CC(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1031983490	BMFHETORYYEZDK-MRVPVSSYSA-N	319.358	-0.285	70	20	DBID	
O=C(N[C@@H]1CCCN(O)C1=O)c1cc(S(=O)(=O)F)c[nH]1	1263790965	GARVYWSLEKWGNG-SSDOTTSWSA-N	305.287	-0.217	70	20	DBID	
COCCN1CC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1030971940	CQRBSDIIRSAFHH-UHFFFAOYSA-N	305.331	-0.267	70	20	DBID	
C#CC[C@@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(=O)OC	1521437734	KIHXAFSBJIUAGO-MRVPVSSYSA-N	302.283	-0.032	70	20	DBID	
Cn1cc(NC(=O)NC[C@H]2CCCN2S(C)(=O)=O)cn1	160364473	DLYHQNCMCZOREM-SNVBAGLBSA-N	301.372	-0.034	70	20	DBID	
NC(=O)CN[C@H]1C[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1022726418	WTTYZLMJJGAJGW-KNVOCYPGSA-N	318.330	-0.991	70	20	DBID	
CNCC(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1	160710298	SRNFNJHKJNFVQC-QWRGUYRKSA-N	309.370	-0.323	70	20	DBID	
CC[C@@H](C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1)N(C)C	159535025	IUJDGSXCEPXGPJ-ZDUSSCGKSA-N	324.429	-0.160	70	20	DBID	
CN(CC(=O)N1CCOCC1)C(=O)N[C@H]1CCN(CC2CC2)C1	160647794	XELSMDKMFXDSJD-AWEZNQCLSA-N	324.425	-0.029	70	20	DBID	
CN(C)C[C@@](C)(O)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1521205505	GGRCUFIUXIEGBJ-NSHDSACASA-N	307.347	-0.285	70	20	DBID	
COC[C@H](O)CCNC(=O)Cn1c(=O)cnc2ccccc21	160786122	ZSBALAACOAWBQZ-LLVKDONJSA-N	305.334	-0.090	70	20	DBID	
COC[C@@H](O)CCNC(=O)CN1CCN(c2ccccn2)CC1	160812393	GQQOWBLVBIEUGQ-AWEZNQCLSA-N	322.409	-0.283	70	20	DBID	
C[C@H]1[C@@H](NCCO)CCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1	986985815	OAJUNMAHNNDEAW-WPRPVWTQSA-N	319.358	-0.142	70	20	DBID	
CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NCC(C)(C)CO	160353451	QWUDPIANXXPZKF-JTQLQIEISA-N	308.400	-0.133	70	20	DBID	
CN1CCO[C@H]2CN(C(=O)CNC(=O)Cc3ccccc3)C[C@@H]21	159731917	OILGOIBVGHGSPI-GJZGRUSLSA-N	317.389	-0.113	70	20	DBID	
O=C(NC1[C@@H]2CN(CCO)C[C@@H]12)c1cc(S(=O)(=O)F)c[nH]1	961789111	MFNUXTBZCNVFPT-RKDXNWHRSA-N	317.342	-0.675	70	20	DBID	
CCCN1C[C@@H](O)[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1077691291	SAFHILQGHGNKLQ-GHMZBOCLSA-N	319.358	-0.142	70	20	DBID	
Cn1ncc2c(=O)n(CC(=O)NCC3(N)CCCCC3)cnc21	159699785	DLHJZGKYKLXSDY-UHFFFAOYSA-N	318.381	-0.092	70	20	DBID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCN(CCO)CC1	950561708	HVSQDLHFMFBVQP-UHFFFAOYSA-N	305.331	-0.577	70	20	DBID	
COC(=O)[C@@H](O)CNC(=O)c1cc(S(C)(=O)=O)ccc1C	217702890	LRDRWIUYKLIOCW-NSHDSACASA-N	315.347	-0.338	70	20	DBID	
C[C@H](CO)CNC(=O)[C@@H]1CCC[C@@H]1C(=O)NC[C@@H](C)CO	159597831	JXIUDFTYVXSCDX-FNFFVJSTSA-N	300.399	-0.108	70	20	DBID	
Cc1nnc(CN(C)CC(=O)N2C[C@@H]3CCC[C@H](C2)N3)n1C	160183100	KSKOWKYTIYMQHP-BETUJISGSA-N	306.414	-0.092	70	20	DBID	
C[C@@H](CO)N(C)C(=O)CCn1[nH]c(=O)c2ccccc2c1=O	160379615	HIBSVMBNDRROBQ-JTQLQIEISA-N	305.334	-0.081	70	20	DBID	
Cn1cc(C(=O)NC2CN(S(=O)(=O)F)C2)c(C(F)F)n1	2088603286	YGLUHIFRVVQUML-UHFFFAOYSA-N	312.273	-0.014	70	20	DBID	
Cc1nc(S(=O)(=O)NCC2CCN(CCO)CC2)cn1C	161409392	PCSADIUKYQSWLH-UHFFFAOYSA-N	316.427	-0.289	70	20	DBID	
COC[C@@H](O)CCNC(=O)Cn1c(=O)cnc2ccccc21	160786239	ZSBALAACOAWBQZ-NSHDSACASA-N	305.334	-0.090	70	20	DBID	
C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1)c1ccc(S(N)(=O)=O)cc1	217773681	DDPXJRAPOSDBQB-XRNSZHNASA-N	313.379	-0.766	70	20	DBID	
CC(=O)N(C)C1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	953439751	CNNFTDQHEBNFHA-UHFFFAOYSA-N	303.315	-0.024	70	20	DBID	
CN1CC[C@H](N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1=O	1263791267	NWWRYYCTOPCRKP-VIFPVBQESA-N	303.315	-0.024	70	20	DBID	
CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@@H]1CCS(=O)(=O)C1	1345451451	JTZDMDAXFRMXLO-SSDOTTSWSA-N	324.355	-0.068	70	20	DBID	
CCOC(=O)c1cnn(CCS(=O)(=O)F)c1-c1nn[nH]n1	1590775850	UMWSEFLUELHSNU-UHFFFAOYSA-N	318.290	-0.461	70	20	DBID	
O=C(NC[C@@H]1CCS(=O)(=O)C1)c1cc(S(=O)(=O)F)c[nH]1	1346040167	BJUAZRVZUNHGFP-ZETCQYMHSA-N	324.355	-0.163	70	20	DBID	
CNC(=O)[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CCO1	1263760420	CINRPLAIADQHBA-SECBINFHSA-N	319.314	-0.740	70	20	DBID	
Cn1cc(S(=O)(=O)NCC2(C3CC3)CC2)c(=O)n(C)c1=O	160152655	DIOQALXNRWTXGZ-UHFFFAOYSA-N	313.379	-0.448	70	20	DBID	
CCS(=O)(=O)N1CCN(C(=O)[C@]2(C)CCCNC2)CC1	161337839	FTHZQEKLRMMYEP-CYBMUJFWSA-N	303.428	-0.130	70	20	DBID	
CCOC(=O)COCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1349611674	OLKWLBUHRBCKMV-UHFFFAOYSA-N	322.314	-0.018	70	20	DBID	
O=C(Cn1cnnn1)NC[C@H]1C[C@@H](O)CN1Cc1ccccc1	160538253	MOJAFHBZEPNZJB-ZIAGYGMSSA-N	316.365	-0.575	70	20	DBID	
CSCC[C@@H](N)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1	161024618	UITFZMQEFWQPGH-LLVKDONJSA-N	311.411	-0.324	70	20	DBID	
CC(C)N1C[C@@H](NC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)CC1=O	217288651	TYTQFWFYQOWJFG-WDEREUQCSA-N	317.411	-0.176	70	20	DBID	
Cn1cc(S(=O)(=O)NC2(C)CCOCC2)cc1C(N)=O	160988142	AHXYMFPZOCXOCH-UHFFFAOYSA-N	301.368	-0.029	70	20	DBID	
COC[C@@H](O)CCNC(=O)Cc1c(C)nc2cc(=O)[nH]n2c1C	161400387	PBGKALOFPMNIBT-NSHDSACASA-N	322.365	-0.304	70	20	DBID	
CC[C@@H](C)[C@@H](O)CNC(=O)c1ccnc2c(C(N)=O)cnn12	160035750	IMNXETVELXMCCD-KCJUWKMLSA-N	305.338	-0.035	70	20	DBID	
CCN1CC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@@H](O)C1	1090575052	AWBDRXQNLNJDJH-KOLCDFICSA-N	319.358	-0.142	70	20	DBID	
Cn1cc([C@@]2(C)CN(C[C@H](O)CN3CCCC3=O)CCO2)cn1	159430664	NNHMHJHWYRTRPQ-GOEBONIOSA-N	322.409	-0.049	70	20	DBID	
Cn1cc(S(N)(=O)=O)cc1C(=O)NCC1(CO)CCCC1	160270032	KVDSOHOVUYMKED-UHFFFAOYSA-N	315.395	-0.045	70	20	DBID	
C[C@@]1(c2cnccn2)NC(=O)N(CCS(=O)(=O)F)C1=O	883953829	MHUZFKKUDWTGFC-JTQLQIEISA-N	302.287	-0.457	70	20	DBID	
COC(=O)[C@@](C)(O)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1521205208	CTTKVFOHOYFKML-JTQLQIEISA-N	308.287	-0.673	70	20	DBID	
O=C(NCCN1C(=O)CCC1=O)c1cc(S(=O)(=O)F)c[nH]1	1346291997	WGCFQUGDOSUYQS-UHFFFAOYSA-N	317.298	-0.448	70	20	DBID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC[C@@H](CO)[C@H](O)C1	1349233571	GMKRUWMBXLQRRP-OIBJUYFYSA-N	306.315	-0.512	70	20	DBID	
C[C@@H](CO)N(C)C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21	160440034	RJXMOMZOWFHXHU-JTQLQIEISA-N	305.334	-0.081	70	20	DBID	
COC(=O)[C@@H](O)CNC(=O)CNC(=O)c1cccc(Cl)c1	217676455	SVPXZARMYWCZML-JTQLQIEISA-N	314.725	-0.280	70	20	DBID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1C[C@@H]2C[C@H]1CN2CCO	1032634070	IFQHOWVQAZOTDB-IUCAKERBSA-N	317.342	-0.436	70	20	DBID	
CO[C@]1(CNC(=O)c2ccc(S(N)(=O)=O)cc2)CCOC1	161072788	PTDBTZFKDHXJDK-ZDUSSCGKSA-N	314.363	-0.131	70	20	DBID	
NC(=O)c1cnn2c(C(=O)N[C@@H]3CCCC[C@H]3O)ccnc12	159805342	YRFQYMYWSWHQPG-MWLCHTKSSA-N	303.322	-0.139	70	20	DBID	
CC(C)COC[C@@H](O)CNC(=O)Cn1nc2ccccn2c1=O	159396348	ZMSSKAONLSDQRD-LBPRGKRZSA-N	322.365	-0.354	70	20	DBID	
Cc1nc(S(=O)(=O)NC[C@H](C)CN2CCOCC2)cn1C	160361836	PZSMQITYRRPSCA-NSHDSACASA-N	316.427	-0.025	70	20	DBID	
CN(C)C[C@](C)(O)CNS(=O)(=O)c1cn(C)c(Cl)n1	161498649	AMDDSQLGSPNXDH-SNVBAGLBSA-N	310.807	-0.336	70	20	DBID	
O=C(NC[C@H]1C[C@H](NCCO)C1)c1cc(S(=O)(=O)F)c[nH]1	1086479188	TYHVZFCYKIBRGD-KYZUINATSA-N	319.358	-0.237	70	20	DBID	
CC(C)(C(=O)N1CC[C@@H]2NC(=O)CC[C@H]2C1)S(C)(=O)=O	160680265	UKLMTIPUWFCIEF-UWVGGRQHSA-N	302.396	-0.063	70	20	DBID	
CCN(CCCNC(=O)c1cccc(=O)n1C)S(C)(=O)=O	160588948	CGEIIIAABSPNNZ-UHFFFAOYSA-N	315.395	-0.213	70	20	DBID	
CO[C@@]1(CNC(=O)c2ccc(S(N)(=O)=O)cc2)CCOC1	161072917	PTDBTZFKDHXJDK-CYBMUJFWSA-N	314.363	-0.131	70	20	DBID	
Cc1n[nH]cc1C(=O)NNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1345750516	YJJRYNVYKSEJMQ-UHFFFAOYSA-N	315.286	-0.221	70	20	DBID	
Cn1cc(N2CCN(C(=O)CC3CCNCC3)CC2=O)cn1	159387406	PXRZQWIMNYKJAO-UHFFFAOYSA-N	305.382	-0.015	70	20	DBID	
CNC(=O)c1cc(S(=O)(=O)N(C)[C@@H](CN)C2CC2)cn1C	159933172	CLNLVZZITVKRPQ-LBPRGKRZSA-N	314.411	-0.258	70	20	DBID	
CN(C)S(=O)(=O)c1ccc(=O)n(CCS(=O)(=O)F)c1	883954026	WIEINHDPMAPMBP-UHFFFAOYSA-N	312.344	-0.602	70	20	DBID	
O=C1CN(C(=O)[C@H]2C[C@H](O)CN2)CCN1Cc1cccc(F)c1	161007998	MFKOZQVEBYLNIO-UONOGXRCSA-N	321.352	-0.281	70	20	DBID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1C[C@@H](CO)[C@H](CO)C1	1470489032	KLIVAFKCAHJPGE-YUMQZZPRSA-N	306.315	-0.654	70	20	DBID	
C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC[C@@H]1CN	160364860	WASLSZQIDDNMHS-VHSXEESVSA-N	315.399	-0.963	70	20	DBID	
O=C(Cn1cnnn1)NC[C@H]1C[C@H](O)CN1Cc1ccccc1	160538398	MOJAFHBZEPNZJB-KGLIPLIRSA-N	316.365	-0.575	70	20	DBID	
CC(C)(C(=O)N1CC[C@H]2NC(=O)CC[C@H]2C1)S(C)(=O)=O	160680143	UKLMTIPUWFCIEF-VHSXEESVSA-N	302.396	-0.063	70	20	DBID	
COC(=O)CC[C@@]1(C)NC(=O)N(CCS(=O)(=O)F)C1=O	883953648	DSJCWPKQYSALIX-SNVBAGLBSA-N	310.303	-0.451	70	20	DBID	
O=C(NC1CCN(CCO)CC1)c1cc(S(=O)(=O)F)c[nH]1	1003642637	GHQXNZVAOIYECN-UHFFFAOYSA-N	319.358	-0.141	70	20	DBID	
O=C(N[C@H]1C[C@@H](NCCO)C1)c1cc(S(=O)(=O)F)c[nH]1	1022730427	IXQZHCXZMTUUST-OCAPTIKFSA-N	305.331	-0.484	70	20	DBID	
CSC[C@@](C)(O)CNC(=O)[C@H]1CCCN1S(C)(=O)=O	217672437	QQDLFGAIFOVBMM-KOLCDFICSA-N	310.441	-0.359	70	20	DBID	
C=CCNC(=S)NNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1123469631	YZWZRWLKTDUIOJ-UHFFFAOYSA-N	306.344	-0.032	70	20	DBID	
CS(=O)(=O)CC[C@H](N)C(=O)N[C@@H]1CCN2CCCC[C@@H]12	217807535	TYNTURLIHRUNIK-TUAOUCFPSA-N	303.428	-0.509	70	20	DBID	
CN(C[C@H]1CCN1CCO)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1085820170	ROZMDBILTNKFRU-SECBINFHSA-N	319.358	-0.189	70	20	DBID	
O=C(O)[C@@H]1COCCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1	1608647491	WIHKXCIHSBILSF-QMMMGPOBSA-N	306.271	-0.402	70	20	DBID	
Cn1nncc1CN1CCN(S(=O)(=O)c2cccnc2)CC1	159855435	UVBQTPCIJIZHGL-UHFFFAOYSA-N	322.394	-0.283	70	20	DBID	
N#CCN1C[C@H]2[C@H](NC(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@H]2C1	961788586	LKTNYCFOPZYYTC-JZYVYDRUSA-N	312.326	-0.144	70	20	DBID	
O=C(CN1C(=O)Cn2c(cc3ccccc32)C1=O)NCCO	159457110	NPPPTGPSGKIHHI-UHFFFAOYSA-N	301.302	-0.268	70	20	DBID	
CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CC(NCCO)C1	999422611	ZJGSSRWVWKMSLI-UHFFFAOYSA-N	319.358	-0.142	70	20	DBID	
CCn1c(N)c(C(=O)CN(C)C[C@@H]2CCC[C@@H]2O)c(=O)[nH]c1=O	159457421	KNGXXJDZJDIZML-UWVGGRQHSA-N	324.381	-0.586	70	20	DBID	
C[C@H](CNS(=O)(=O)C[C@@H]1CCOC1)CN1CCOCC1	160376506	LLIJZEWIJYDWBR-CHWSQXEVSA-N	306.428	-0.089	70	20	DBID	
CN1CC[C@](O)(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1351578466	MRIWPHKHBFXWSY-NSHDSACASA-N	305.331	-0.531	70	20	DBID	
Cn1cc(S(=O)(=O)NCC2CCN(CCO)CC2)cn1	161386431	UIYVKFRZSFLBCF-UHFFFAOYSA-N	302.400	-0.597	70	20	DBID	
COC(=O)C1CCN(S(=O)(=O)NCC(C)(C)CO)CC1	160353748	CLKWUGMKPFBWRR-UHFFFAOYSA-N	308.400	-0.276	70	20	DBID	
O=CN1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1	1347189475	UWMIJPSLAGYDDG-UHFFFAOYSA-N	303.315	-0.023	70	20	DBID	
CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@H]1CCN(CCO)C1	1033429799	LUXYCTISUIHLQX-VIFPVBQESA-N	319.358	-0.189	70	20	DBID	
Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCCCN	160063276	AZESJUZYNXCNQT-VIFPVBQESA-N	317.415	-0.831	70	20	DBID	
CCN(C(=O)CN1CCC(C)(O)CC1)[C@H]1CCS(=O)(=O)C1	161232852	WMCWRLQMHQKTSF-LBPRGKRZSA-N	318.439	-0.131	70	20	DBID	
CCN1CCCN(C(=O)NCCNS(=O)(=O)CC)CC1	159645313	OQHMPFLHTLSWNA-UHFFFAOYSA-N	306.432	-0.337	70	20	DBID	
COC(=O)C1CCN(S(=O)(=O)N2CCC(C)(O)CC2)CC1	160627250	RUDVUNMMFHXGRH-UHFFFAOYSA-N	320.411	-0.037	70	20	DBID	
O=C(NCCS(=O)(=O)NCC1CCC1)[C@@H]1CCCNC1	159672113	PAHQZWXZQKOCOW-GFCCVEGCSA-N	303.428	-0.178	70	20	DBID	
COC(=O)CCCS(=O)(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1	160148946	OLZCIMVLUYNKEK-MNOVXSKESA-N	318.395	-0.130	70	20	DBID	
NC(=O)CN(CC(N)=O)C(=O)Cc1cc(F)c(F)cc1F	160364405	JOJHTUONXAXVKV-UHFFFAOYSA-N	303.240	-0.554	70	20	DBID	
O=C(Cn1cnnn1)NC1CCN([C@H]2CCCC[C@@H]2O)CC1	160725338	DAYJHPVIXGYYHV-STQMWFEESA-N	308.386	-0.443	70	20	DBID	
O=S(=O)(c1cccc(-n2cnnn2)c1)N1CCC[C@@H]1CO	159877422	REXPPJHTZNFCCT-LLVKDONJSA-N	309.351	-0.192	70	20	DBID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC[C@@H](CO)[C@@H](O)C1	1349233575	GMKRUWMBXLQRRP-XVKPBYJWSA-N	306.315	-0.512	70	20	DBID	
O=C(N[C@@H]1CN(CCF)C[C@H]1O)c1cc(S(=O)(=O)F)c[nH]1	1077689909	MBSBTMANBVFUDF-NXEZZACHSA-N	323.321	-0.583	70	20	DBID	
O=C(NCCN1CC[C@@H](O)C1)c1cc(S(=O)(=O)F)c[nH]1	1528552500	YZEBNULPFVMQKY-MRVPVSSYSA-N	305.331	-0.531	70	20	DBID	
CN1CCO[C@H]2CN(C(=O)CNC(=O)NCc3ccco3)C[C@@H]21	159727825	CFIMJEVWVFSYQB-STQMWFEESA-N	322.365	-0.380	70	20	DBID	
CN(C)c1nc(N)nc(Cn2c(-c3cccnc3)noc2=O)n1	161289012	BBAQVIMBUXTPLS-UHFFFAOYSA-N	314.309	-0.220	70	20	DBID	
CC(C)(C)c1nsc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1	159872714	NPDIOWIUWTVVER-QMMMGPOBSA-N	309.395	-0.017	70	20	DBID	
COCC[C@@H](NC(=O)c1ccc(S(=O)(=O)F)cc1)C(N)=O	864240957	FRPLFEXCFCUGTE-SNVBAGLBSA-N	318.326	-0.035	70	20	DBID	
O=C(N[C@H]1CCN(CCCO)C1)c1cc(S(=O)(=O)F)c[nH]1	1015716415	UGPQIUZBLKARBE-VIFPVBQESA-N	319.358	-0.141	70	20	DBID	
C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCC(C)(C)N	160013602	XVLMNNBASWJVCQ-VIFPVBQESA-N	324.406	-0.033	70	20	DBID	
C[C@H]1C[C@@H](NCCO)CN1C(=O)c1cc(S(=O)(=O)F)c[nH]1	989454078	QGCKELWBPLTQDP-DTWKUNHWSA-N	319.358	-0.142	70	20	DBID	
COC(=O)[C@@H](O)CNC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1	217739345	JFHIGRHVGUVLQK-RQJHMYQMSA-N	312.244	-0.953	70	20	DBID	
O=C(N[C@@H]1CCN(CCO)C1)c1cc(S(=O)(=O)F)c[nH]1	1015719886	XTTBYGMSIDSAIO-MRVPVSSYSA-N	305.331	-0.531	70	20	DBID	
O=C(N[C@@H]1CCCS(=O)(=O)C1)c1cc(S(=O)(=O)F)c[nH]1	1123525340	ZNZFVDZJIVWOAU-SSDOTTSWSA-N	324.355	-0.020	70	20	DBID	
CS(=O)(=O)Nc1ccc(NC(=O)N(CCO)CCO)cc1	217282554	MWLDOHQBCLNNIY-UHFFFAOYSA-N	317.367	-0.123	70	20	DBID	
CCN1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H](O)C1	1090575051	AWBDRXQNLNJDJH-GXSJLCMTSA-N	319.358	-0.142	70	20	DBID	
CC(C)N1C[C@@H](NC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1=O	217288636	ONNRTZXEDFQYFT-ZJUUUORDSA-N	303.384	-0.518	70	20	DBID	
CCNC(=O)CN1CCN(Cc2nc(O)cc(CC)n2)CC1	160737945	VRQSXRKJNAZXNI-UHFFFAOYSA-N	307.398	-0.002	70	20	DBID	
COc1c(-c2nn[nH]n2)ccc(=O)n1CCS(=O)(=O)F	1591475362	XJLQBBUDPNOBBO-UHFFFAOYSA-N	303.275	-0.664	70	20	DBID	
Cn1cc(C[C@@H]2CC(=O)N(CCS(=O)(=O)F)C2=O)cn1	883953334	RAWJDTLWUHPKOD-SECBINFHSA-N	303.315	-0.363	70	20	DBID	
CC(C)(C)N1C[C@H](NC(=O)NCCN2CCNCC2)CC1=O	217285739	OJKMCUISAJOIGF-GFCCVEGCSA-N	311.430	-0.410	70	20	DBID	
Cc1nc(S(=O)(=O)NC[C@@H](O)COCC2CC2)cn1C	160693015	RXAFATMWXSETGJ-LLVKDONJSA-N	303.384	-0.206	70	20	DBID	
C[C@@H]1CO[C@H](CO)CN1C(=O)c1cc(S(=O)(=O)F)c[nH]1	1349235895	XXCBNAGRDRYFBT-SFYZADRCSA-N	306.315	-0.105	70	20	DBID	
CCn1cc(S(=O)(=O)NC[C@H](O)COCC2CC2)cn1	160697276	AUMPZUBZYTWYNN-NSHDSACASA-N	303.384	-0.031	70	20	DBID	
CN1CCN(C)[C@@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1519146779	NTVJHEYENDEXIU-VIFPVBQESA-N	318.374	-0.352	70	20	DBID	
C#CCN1C[C@H]2[C@H](NC(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@H]2C1	961792360	VZKLJZSZLLMDLE-IAZYJMLFSA-N	311.338	-0.034	70	20	DBID	
COCC[C@@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(=O)OC	1347339475	GAWZWRSHQLHRKO-MRVPVSSYSA-N	322.314	-0.019	70	20	DBID	
CC[C@H](C)[C@H](O)CNC(=O)c1ccnc2c(C(N)=O)cnn12	160035610	IMNXETVELXMCCD-GZMMTYOYSA-N	305.338	-0.035	70	20	DBID	
CC(C)(C(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1)S(C)(=O)=O	160680025	UKLMTIPUWFCIEF-ZJUUUORDSA-N	302.396	-0.063	70	20	DBID	
COC[C@H](O)CNC(=O)Cn1cnc2c(C)cccc2c1=O	159491367	UTEZIUOUFCMBTI-LLVKDONJSA-N	305.334	-0.172	70	20	DBID	
CC(=O)N1CCN(C(=O)CCNC(=O)[C@H]2CCCCN2)CC1	159444212	IASYJDXOIPCVEE-CYBMUJFWSA-N	310.398	-0.675	70	20	DBID	
CN1CCC[C@@H]1C(=O)NC[C@@H]1CCC[C@@H]1NS(C)(=O)=O	160407283	FKSRFNDKNGMMFH-SDDRHHMPSA-N	303.428	-0.085	70	20	DBID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCN2C(=O)NC[C@H]2C1	1346642320	QZSJRWSCYPMEOS-ZETCQYMHSA-N	316.314	-0.478	70	20	DBID	
O=C1CN(C(=O)[C@@H]2CNCCO2)CCN1Cc1cccc(F)c1	161011721	PPEBTYBINYJDKD-AWEZNQCLSA-N	321.352	-0.015	70	20	DBID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC(NCCO)CC1	997020179	XWQOETJGEAYEKB-UHFFFAOYSA-N	319.358	-0.141	70	20	DBID	
CN1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H](CO)C1	1520345979	FVZFZQVCVSBIRW-QMMMGPOBSA-N	305.331	-0.579	70	20	DBID	
CC(C)N1C[C@@H](NC(=O)N[C@H]2CCS(=O)(=O)C2)CC1=O	217288639	ONNRTZXEDFQYFT-UWVGGRQHSA-N	303.384	-0.518	70	20	DBID	
CN(Cc1ccccc1)C(=O)CNC(=O)C1(NC(N)=O)CC1	161248522	YLJDKRQBWUOAEN-UHFFFAOYSA-N	304.350	-0.038	70	20	DBID	
CC(=O)N1CC(N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	955355697	YMBXBJDFTFQZMF-UHFFFAOYSA-N	303.315	-0.024	70	20	DBID	
CC(=O)NC1[C@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C[C@H]12	1012637501	VDAKBRJEHQCODM-IUCAKERBSA-N	315.326	-0.121	70	20	DBID	
Cc1ccc2cc(C(=O)N(CC(N)=O)CC(N)=O)ccc2n1	161479702	GZPVWDMZGJDGBX-UHFFFAOYSA-N	300.318	-0.044	70	20	DBID	
Cc1nn(CCS(=O)(=O)F)c(=O)c(-c2nn[nH]n2)c1C	1606114167	GAJCMTASSDLOLD-UHFFFAOYSA-N	302.291	-0.660	70	20	DBID	
COC(=O)CC[C@]1(C)NC(=O)N(CCS(=O)(=O)F)C1=O	883953647	DSJCWPKQYSALIX-JTQLQIEISA-N	310.303	-0.451	70	20	DBID	
C[C@H]1CO[C@@H](CO)CN1C(=O)c1cc(S(=O)(=O)F)c[nH]1	1349235894	XXCBNAGRDRYFBT-JGVFFNPUSA-N	306.315	-0.105	70	20	DBID	
O=C(NNC(=O)N1CCOCC1)c1cc(S(=O)(=O)F)c[nH]1	1346339993	CIKXRXSMHUNSFE-UHFFFAOYSA-N	320.302	-0.641	70	20	DBID	
C[C@@H](O)CNCCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1166871404	CZIPEAMEDAXNHR-MRVPVSSYSA-N	307.347	-0.237	70	20	DBID	
NC(=O)C[C@@H]1COCCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1	1528214400	JFHFMQMMZNVGFW-SSDOTTSWSA-N	319.314	-0.611	70	20	DBID	
CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)c1cnns1	160296308	WFFDGFUUAAWBJC-SFYZADRCSA-N	304.397	-0.014	70	20	DBID	
CN(C[C@@H](O)CN)C(F)(F)COS(=O)(=O)C(F)(F)F	852749785	GERWVGBVUNMJKY-YFKPBYRVSA-N	316.248	-0.303	70	20	DBID	
O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc(S(=O)(=O)F)c[nH]1	1262672514	AZBZMHSMXQZQGF-ZCFIWIBFSA-N	310.328	-0.410	70	20	DBID	
O=C(Cn1nc2ccccn2c1=O)NC[C@H](O)COCC1CC1	159435670	ZPDGTZXMTMNGOP-LBPRGKRZSA-N	320.349	-0.600	70	20	DBID	
O=C(NCCNCc1cnon1)c1cc(S(=O)(=O)F)c[nH]1	1133981667	YGIXJNZGGJYLKY-UHFFFAOYSA-N	317.302	-0.425	70	20	DBID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCOC[C@@H]1CCO	1350538782	MJKBPLLGHJGJLY-QMMMGPOBSA-N	306.315	-0.104	70	20	DBID	
COC(=O)CCN(C)S(=O)(=O)NC[C@H](C)N1CCCC1	160873608	KDRHVMQYKOFABZ-NSHDSACASA-N	307.416	-0.200	70	20	DBID	
CN(CCS(C)(=O)=O)[C@@H]1CCCN(c2cnn(C)c2)C1=O	160433397	ZOSPDHFLZSNKKJ-GFCCVEGCSA-N	314.411	-0.108	70	20	DBID	
CC(C)CN1CCC[C@@H]1CNC(=O)Cn1ccc(=O)[nH]c1=O	160445783	FDZSURXTVQWDBT-GFCCVEGCSA-N	308.382	-0.227	70	20	DBID	
C[C@@H]1[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCN1CCO	1088864390	IGXOIHMQNSEMPO-SCZZXKLOSA-N	319.358	-0.142	70	20	DBID	
CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)c1cnsn1	160362595	JQQVZINORKAPLR-JGVFFNPUSA-N	304.397	-0.014	70	20	DBID	
Cn1nccc1/C=C/C(=O)NC[C@H]1CCCN1S(C)(=O)=O	160533313	IKOREORCSYCBSC-BTDICHCPSA-N	312.395	-0.027	70	20	DBID	
N#CCN1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1	950559093	MFVOESWMMLHRNI-UHFFFAOYSA-N	300.315	-0.046	70	20	DBID	
O=C(NC[C@@H]1CCCN1CCO)c1cc(S(=O)(=O)F)c[nH]1	1028142080	YKZLGQBOXUITDP-VIFPVBQESA-N	319.358	-0.141	70	20	DBID	
O=C(NC[C@@H]1CCN1CCO)c1cc(S(=O)(=O)F)c[nH]1	1038707397	FCEYEPHUGAVKFY-QMMMGPOBSA-N	305.331	-0.531	70	20	DBID	
CCCCn1c(N)c(N(C)Cc2nncn2C)c(=O)[nH]c1=O	160733859	OJIFUXYHRRBAAI-UHFFFAOYSA-N	307.358	-0.316	70	20	DBID	
O=C1CN(C(=O)[C@H]2C[C@@H](O)CN2)CCN1Cc1cccc(F)c1	161008228	MFKOZQVEBYLNIO-ZIAGYGMSSA-N	321.352	-0.281	70	20	DBID	
COC[C@@H](O)CCNC(=O)CNC(=O)Cc1cccc(F)c1	161457921	HPPATFUATBBMER-ZDUSSCGKSA-N	312.341	-0.002	70	20	DBID	
CN(CCO)[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	972359987	VMSYFVZJFFCCMX-SECBINFHSA-N	319.358	-0.189	70	20	DBID	
CC(C)n1nccc1C(=O)N1CCN(S(N)(=O)=O)CC1	160495679	WSDAAISNOKZOLR-UHFFFAOYSA-N	301.372	-0.575	70	20	DBID	
COC(=O)N1CC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1123647213	AZOKBHMUEPOCDQ-UHFFFAOYSA-N	305.287	-0.147	70	20	DBID	
CCn1ncn(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)c1=O	1346796661	OUNXKKBVFHMCJS-UHFFFAOYSA-N	303.275	-0.565	70	20	DBID	
CN1C(=O)C[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1=O	1520005866	AEFWRIPZLCTBGS-ZETCQYMHSA-N	303.271	-0.840	70	20	DBID	
Cn1cccc(NC(=O)NCCNC(=O)c2ccn[nH]2)c1=O	160767007	QKASJIUVEXWLFF-UHFFFAOYSA-N	304.310	-0.340	70	20	DBID	
CC[C@H](C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1)N(C)C	159535149	IUJDGSXCEPXGPJ-CYBMUJFWSA-N	324.429	-0.160	70	20	DBID	
C[C@H](CS(C)(=O)=O)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1340082747	YOSPWVMWEZPFNA-ZCFIWIBFSA-N	312.344	-0.164	70	20	DBID	
COCCN(C)S(=O)(=O)N1CCC(Cn2ccnn2)CC1	159487599	APNRCXBBUXSPLS-UHFFFAOYSA-N	317.415	-0.187	70	20	DBID	
COC(=O)C[C@H]1C(=O)NCCN1Cc1cnc2cnccn12	159797975	KCAKLDYHBYZIDO-NSHDSACASA-N	303.322	-0.407	70	20	DBID	
CCn1ccnc1CN1CCN(C(=O)C(=O)NC2CC2)CC1	160794866	RTKUSCRYTHZHCW-UHFFFAOYSA-N	305.382	-0.174	70	20	DBID	
O=c1c(F)cn([C@H]2CCCO2)c(=O)n1CCS(=O)(=O)F	883953279	OPELZKVYUBASDS-MRVPVSSYSA-N	310.278	-0.243	70	20	DBID	
NC(=O)C[C@H]1COCCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1	1528214401	JFHFMQMMZNVGFW-ZETCQYMHSA-N	319.314	-0.611	70	20	DBID	
CC[C@H](C(=O)Nc1cnn(CC(=O)NCCOC)c1)N(C)C	159991421	YXMJHCWBNZPWBX-GFCCVEGCSA-N	311.386	-0.076	70	20	DBID	
C[C@H]1CCNC(=O)[C@@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1337485847	IWZLWNZAEVHNGU-IMTBSYHQSA-N	303.315	-0.073	70	20	DBID	
C[C@@H]1CO[C@@H](CO)CN1C(=O)c1cc(S(=O)(=O)F)c[nH]1	1349235893	XXCBNAGRDRYFBT-HTQZYQBOSA-N	306.315	-0.105	70	20	DBID	
Cn1cc(N2CCN(C(=O)CNC[C@@H]3CCCO3)CC2=O)cn1	159386709	OYPBCJRMHHRQAD-ZDUSSCGKSA-N	321.381	-0.636	70	20	DBID	
CCOC(=O)[C@@](C)(O)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1123744067	VBXRTKMJNRHSPP-NSHDSACASA-N	322.314	-0.283	70	20	DBID	
CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCC[C@@H](N)C1	217838109	ZGASKONEOITUJV-MNOVXSKESA-N	305.400	-0.318	70	20	DBID	
CN(C)C[C@]1(O)CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1520422527	IXPCVPYUSGDFDQ-GFCCVEGCSA-N	319.358	-0.189	70	20	DBID	
Cc1nc(CC(=O)N2CCN(S(N)(=O)=O)CC2)c(C)s1	160495523	ORWKDOMGDKQJBM-UHFFFAOYSA-N	318.424	-0.350	70	20	DBID	
O=C(NCC1CN(CCO)C1)c1cc(S(=O)(=O)F)c[nH]1	1031983812	MVCNJSYCJMIINZ-UHFFFAOYSA-N	305.331	-0.673	70	20	DBID	
C[C@@H](CNC(=O)N[C@H]1CCc2ncnn2C1)CN1CCOCC1	161114989	ZVAQPFFYXZHCCH-STQMWFEESA-N	322.413	-0.140	70	20	DBID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCN2CCOC[C@@H]2C1	1351579656	VYNRCMFMZKHMGI-VIFPVBQESA-N	317.342	-0.171	70	20	DBID	
O=C(NCCN1C(=O)c2ccccc2C1=O)N1CCNCC1	217282072	CDCDIZQLNGLSIB-UHFFFAOYSA-N	302.334	-0.103	70	20	DBID	
C[C@H](O)CN[C@H]1C[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1020598931	BDHWMHKGCLCBNL-CIUDSAMLSA-N	319.358	-0.096	70	20	DBID	
CC(C)N(CCS(C)(=O)=O)S(=O)(=O)c1cnn(C)c1	159690411	NYWLMBNGQNDKKC-UHFFFAOYSA-N	309.413	-0.136	70	20	DBID	
NC(=O)N1CCCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1	1527565708	NQKZZTQCQJFLSV-UHFFFAOYSA-N	318.330	-0.101	70	20	DBID	
COCCOCC(=O)NCCc1ccc(S(N)(=O)=O)cc1	218026428	DDEIMMMUCOJRRA-UHFFFAOYSA-N	316.379	-0.344	70	20	DBID	
C#CCN1C[C@@H]2C(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@H]2C1	961792369	VZKLJZSZLLMDLE-UWVGGRQHSA-N	311.338	-0.034	70	20	DBID	
C[C@@H](CNC(=O)N[C@@H]1CCc2ncnn2C1)CN1CCOCC1	161114791	ZVAQPFFYXZHCCH-QWHCGFSZSA-N	322.413	-0.140	70	20	DBID	
O=C(Cn1cnnn1)NC1CCN([C@@H]2CCCC[C@H]2O)CC1	160725475	DAYJHPVIXGYYHV-CHWSQXEVSA-N	308.386	-0.443	70	20	DBID	
C[C@H](O)CN1CC(N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1043896104	MQKKLXIBEONHPL-QMMMGPOBSA-N	319.358	-0.190	70	20	DBID	
O=C(N[C@@H]1CN(CCF)C[C@@H]1O)c1cc(S(=O)(=O)F)c[nH]1	1083786156	MBSBTMANBVFUDF-ZJUUUORDSA-N	323.321	-0.583	70	20	DBID	
CCN1CC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@H](O)C1	1090575053	AWBDRXQNLNJDJH-MWLCHTKSSA-N	319.358	-0.142	70	20	DBID	
CN(CCS(C)(=O)=O)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1347457807	OPAAACQNKMISSZ-UHFFFAOYSA-N	312.344	-0.211	70	20	DBID	
COC[C@H](O)CCNC(=O)CNC(=O)Cc1cccc(F)c1	161457836	HPPATFUATBBMER-CYBMUJFWSA-N	312.341	-0.002	70	20	DBID	
CN1CCN(C(=O)c2cncc(OS(=O)(=O)F)c2)CC1=O	1887522687	FMIGGWUYEJVVEM-UHFFFAOYSA-N	317.298	-0.411	70	20	DBID	
NC(=O)[C@@H]1CN(C(=O)N[C@H]2CCN(C3CCCC3)C2)CCO1	160865379	MDALTYARTWDGFR-AAEUAGOBSA-N	310.398	-0.101	70	20	DBID	
COCC#CCNCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1133975916	DGKAPLYCNVEFDI-UHFFFAOYSA-N	317.342	-0.358	70	20	DBID	
O=C(NCCS(=O)(=O)C1CC1)c1cc(S(=O)(=O)F)c[nH]1	1262787597	CKXTWRFZHJINQH-UHFFFAOYSA-N	324.355	-0.020	70	20	DBID	
Cc1[nH]ncc1CCCNC(=O)NC[C@@H]1CC[C@H](C(N)=O)O1	160237914	LSMBWHFFAFTHCS-NWDGAFQWSA-N	309.370	-0.017	70	20	DBID	
N#CCN1C[C@H]2C[C@H]1[C@H]2NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1037584152	DERDECMPFKMBGS-GGVZMXCHSA-N	312.326	-0.001	70	20	DBID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC[C@H](NCCO)C1	1000236827	PLSVBLZHKZQURX-VIFPVBQESA-N	319.358	-0.141	70	20	DBID	
Cn1nnc2ccc(C(=O)NCCC(=O)N3CCOCC3)cc21	159677938	CHSJTERFHBUGLZ-UHFFFAOYSA-N	317.349	-0.053	70	20	DBID	
CN1CCO[C@@H]2CN(C(=O)Cn3c(=O)[nH]c4ccccc43)C[C@@H]21	159727126	YVCXDICMUXLXNS-UONOGXRCSA-N	316.361	-0.129	70	20	DBID	
O=C(NCC(=O)N1CCOCC1)c1cc(S(=O)(=O)F)c[nH]1	1346318114	DNPAVZVEVSIUON-UHFFFAOYSA-N	319.314	-0.739	70	20	DBID	
O=C(NC[C@@H](O)CNCC1CC1)c1cc(S(=O)(=O)F)c[nH]1	1753927542	MAASHXAZAZZTLP-VIFPVBQESA-N	319.358	-0.237	70	20	DBID	
CCN(C(=O)CN(C)[C@@H](CN)C1CC1)[C@H]1CCS(=O)(=O)C1	159990104	KNXNPNVDKNJGTC-STQMWFEESA-N	317.455	-0.309	70	20	DBID	
CCOC(=O)CCS(=O)(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1	160706838	WSUYVIFRYVBRBM-GHMZBOCLSA-N	318.395	-0.130	70	20	DBID	
CC(C)C[C@@H](CO)NC(=O)c1cnc2[nH]c(=O)[nH]c(=O)c2c1	160920012	WPJDQDGIJCOQGZ-VIFPVBQESA-N	306.322	-0.252	70	20	DBID	
O=C(NOCCN1CCCC1=O)c1cc(S(=O)(=O)F)c[nH]1	1347082411	HFYWNZKWVQXSGJ-UHFFFAOYSA-N	319.314	-0.043	70	20	DBID	
Cc1[nH]ncc1CCCNC(=O)NC[C@H]1CC[C@H](C(N)=O)O1	160238047	LSMBWHFFAFTHCS-VXGBXAGGSA-N	309.370	-0.017	70	20	DBID	
C[C@@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(=O)NCCF	1349532666	MVUQSGXYDSWIFQ-ZCFIWIBFSA-N	309.294	-0.123	70	20	DBID	
CCc1n[nH]c(=O)c(CNC(=O)N2CCN(C)C(=O)C2)c1CC	160440195	JFZSDSBZUFBVEI-UHFFFAOYSA-N	321.381	-0.122	70	20	DBID	
COC[C@H](O)CCNC(=O)CN1CCN(c2ccccn2)CC1	160812261	GQQOWBLVBIEUGQ-CQSZACIVSA-N	322.409	-0.283	70	20	DBID	
C[C@@H](O)CN[C@H]1C[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1022730263	BDHWMHKGCLCBNL-HLTSFMKQSA-N	319.358	-0.096	70	20	DBID	
CSC[C@](C)(O)CNC(=O)CCCN1C(=O)CN(C)C1=O	217627564	NZJALYQPBJPZQS-CYBMUJFWSA-N	317.411	-0.109	70	20	DBID	
CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N(C)[C@@H](CN)C1CC1	159967280	ZTQDJBLCURVVOR-RYUDHWBXSA-N	319.427	-0.072	70	20	DBID	
COCCN(CC(=O)OC)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1120943948	CCYIYSBBIATTIO-UHFFFAOYSA-N	322.314	-0.066	70	20	DBID	
CCn1cc(S(=O)(=O)NC[C@](C)(O)CN(C)C)nc1C	218090821	LGRCREBJWXAVBD-LBPRGKRZSA-N	304.416	-0.198	70	20	DBID	
COC(=O)Cn1ncc2c(=O)n(CCS(=O)(=O)F)cnc21	883954021	WFXHEYSGHZYPFV-UHFFFAOYSA-N	318.286	-0.935	70	20	DBID	
Cn1cc([C@@]2(C)CN(C[C@H](O)CN3CCOCC3)CCO2)cn1	159402226	KJHBNLPBGKODOP-HZPDHXFCSA-N	324.425	-0.339	70	20	DBID	
COCC[C@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(=O)OC	1347339526	GAWZWRSHQLHRKO-QMMMGPOBSA-N	322.314	-0.019	70	20	DBID	
C[C@H](NC(N)=O)C(=O)N(C)CC(C)(C)CN1CCOCC1	159920947	IVZBJXCLFUNFNX-NSHDSACASA-N	300.403	-0.140	70	20	DBID	
COC(=O)C[C@@H]1C(=O)NCCN1Cc1cnc2cnccn12	159797833	KCAKLDYHBYZIDO-LLVKDONJSA-N	303.322	-0.407	70	20	DBID	
C[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@@H](CO)O1	1346929575	RSWSCHJQDKFVJM-YUMQZZPRSA-N	306.315	-0.105	70	20	DBID	
O=C(NCCN1CCC(O)CC1)c1cc(S(=O)(=O)F)c[nH]1	1521439337	YNKZXTGAIXPQPF-UHFFFAOYSA-N	319.358	-0.141	70	20	DBID	
CN(C[C@H](O)CN)C(F)(F)COS(=O)(=O)C(F)(F)F	852749783	GERWVGBVUNMJKY-RXMQYKEDSA-N	316.248	-0.303	70	20	DBID	
O=C(N[C@@H]1[C@H]2C[C@H]1N(CCO)C2)c1cc(S(=O)(=O)F)c[nH]1	1037584212	FZWBWUZKPUPEPD-WHGOUJPWSA-N	317.342	-0.532	70	20	DBID	
O=C(NC[C@@H]1CCN1CCCO)c1cc(S(=O)(=O)F)c[nH]1	1038709810	HPXMTVYQAPXUAZ-VIFPVBQESA-N	319.358	-0.141	70	20	DBID	
COCCN1C[C@@H](C(=O)NC[C@@](C)(O)CSC)CC1=O	217661000	AYOCRMXDQYNMCL-GXFFZTMASA-N	304.412	-0.289	70	20	DBID	
CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@@H]1CCN(CCO)C1	1033429795	LUXYCTISUIHLQX-SECBINFHSA-N	319.358	-0.189	70	20	DBID	
COC[C@H](O)CCNC(=O)Cn1c(=O)n(C)c2ccccc21	161443210	USBCXGKGENTOQH-LLVKDONJSA-N	307.350	-0.146	70	20	DBID	
NC(=O)c1cnn2c(C(=O)N[C@H]3CCCC[C@H]3O)ccnc12	159805479	YRFQYMYWSWHQPG-GXSJLCMTSA-N	303.322	-0.139	70	20	DBID	
O=C(Cn1nc2ccccn2c1=O)NC[C@@H](O)COCC1CC1	159435787	ZPDGTZXMTMNGOP-GFCCVEGCSA-N	320.349	-0.600	70	20	DBID	
CCS(=O)(=O)N1CCN(C(=O)[C@@]2(C)CCCNC2)CC1	161337971	FTHZQEKLRMMYEP-ZDUSSCGKSA-N	303.428	-0.130	70	20	DBID	
COC(=O)[C@H](O)CNC(=O)[C@H](C)NC(=O)c1cccs1	217703333	DTSHUBCDWNHPNZ-JGVFFNPUSA-N	300.336	-0.484	70	20	DBID	
C[C@@H]1C[C@H](NCCO)CN1C(=O)c1cc(S(=O)(=O)F)c[nH]1	989454077	QGCKELWBPLTQDP-BDAKNGLRSA-N	319.358	-0.142	70	20	DBID	
COCCCS(=O)(=O)N1CCN(Cc2cncn2C)CC1	160130744	GGEZHDQXMTWWMK-UHFFFAOYSA-N	316.427	-0.096	70	20	DBID	
O=C1NC(=O)[C@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C[C@@H]12	1520007838	VSERSXLHLIBESV-KNVOCYPGSA-N	315.282	-0.983	70	20	DBID	
CCOC(=O)C[C@H](C)NC(=O)Cn1nc2ccccn2c1=O	160095270	HQLGPUJZLILNLU-JTQLQIEISA-N	306.322	-0.046	70	20	DBID	
O=C1CN(C(=O)[C@@H]2C[C@@H](O)CN2)CCN1Cc1cccc(F)c1	161008110	MFKOZQVEBYLNIO-KGLIPLIRSA-N	321.352	-0.281	70	20	DBID	
CCN1C[C@@H](O)[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1077690121	XTOYJPUSTLLQRA-NXEZZACHSA-N	305.331	-0.532	70	20	DBID	
Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N1CCNCC1	159454993	XXEFGIHDOQGJLG-UHFFFAOYSA-N	301.368	-0.116	70	20	DBID	
O=C(N[C@]1(CCO)CCOC1)c1cc(S(=O)(=O)F)c[nH]1	1520008303	YHCHBDPWAVEOKT-LLVKDONJSA-N	306.315	-0.056	70	20	DBID	
O=C(NC1CC=CC1)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1	161071107	GQUFBHJPOKKWJY-PWSUYJOCSA-N	312.391	-0.143	70	20	DBID	
CCN(CC)CCNC(=O)c1ccnc2c(C(N)=O)cnn12	159589150	FOHNOKQLKNYKJD-UHFFFAOYSA-N	304.354	-0.100	70	20	DBID	
CC(=O)N1CC(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1004490064	REOWRSKCETWFFI-UHFFFAOYSA-N	303.315	-0.119	70	20	DBID	
CCc1cc(C(=O)NCC2CN(S(=O)(=O)F)C2)n(C)n1	1974055254	ONTRJNZKGLPZPW-UHFFFAOYSA-N	304.347	-0.142	70	20	DBID	
C[C@H](CNS(=O)(=O)c1cnn(C)c1)CN1CCOCC1	160395209	NUFMLEBPCRHGDU-LLVKDONJSA-N	302.400	-0.333	70	20	DBID	
COC(=O)[C@@H](O)CNC(=O)[C@@H](C)NC(=O)c1cccs1	217703082	DTSHUBCDWNHPNZ-SFYZADRCSA-N	300.336	-0.484	70	20	DBID	
CC(C)N1C[C@@H](NC(=O)N(C)[C@H]2CCS(=O)(=O)C2)CC1=O	217288655	TYTQFWFYQOWJFG-QWRGUYRKSA-N	317.411	-0.176	70	20	DBID	
COCCCS(=O)(=O)N1CCN(Cc2ncnn2C)CC1	160130596	YVYCMWAIPJKNME-UHFFFAOYSA-N	317.415	-0.701	70	20	DBID	
COC(=O)[C@H](O)CNC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1	217739445	JFHIGRHVGUVLQK-RNFRBKRXSA-N	312.244	-0.953	70	20	DBID	
O=C1CC[C@@H]2CN(S(=O)(=O)N3CCOCC3)CC[C@@H]2N1	160721994	PMKKDWYSTMILKX-MNOVXSKESA-N	303.384	-0.836	70	20	DBID	
CCOC(=O)[C@H]1CCCN1S(=O)(=O)N(C)[C@@H](CN)C1CC1	159967423	ZTQDJBLCURVVOR-NEPJUHHUSA-N	319.427	-0.072	70	20	DBID	
COC(=O)c1ccccc1S(=O)(=O)NCC(=O)N(C)C	218069273	IQFHKZBLPPINLZ-UHFFFAOYSA-N	300.336	-0.160	70	20	DBID	
C[C@@H](O)CN1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1	950561735	JQEHBJUHFYJAIW-SECBINFHSA-N	319.358	-0.189	70	20	DBID	
CC(=O)N1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1	1009667220	WDWNYLDKEGFCPY-UHFFFAOYSA-N	303.315	-0.023	70	20	DBID	
CN1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@@H](CO)C1	1520345946	FVZFZQVCVSBIRW-MRVPVSSYSA-N	305.331	-0.579	70	20	DBID	
Cc1noc([C@@H]2COCCN2C[C@H](O)CN2CCOCC2)n1	161028082	KGSLZRCTBLLFBV-OLZOCXBDSA-N	312.370	-0.556	70	20	DBID	
O=C(N[C@H]1C[C@H](CNCCO)C1)c1cc(S(=O)(=O)F)c[nH]1	1755479010	YOPXYWQKBDREMC-KYZUINATSA-N	319.358	-0.237	70	20	DBID	
COC(=O)C1CCN(S(=O)(=O)N(C)[C@@H](CN)C2CC2)CC1	159915682	UNWAHEYZQCTBOO-LBPRGKRZSA-N	319.427	-0.215	70	20	DBID	
Cc1noc([C@H]2COCCN2CC(=O)N2CCN(C)CC2)n1	161192953	LBLGTOTYMXOPPQ-GFCCVEGCSA-N	309.370	-0.475	70	20	DBID	
CCOC(=O)c1[nH]c(C)c(S(=O)(=O)NCC(=O)NC)c1C	159505773	SAAFKMVNWRVWJK-UHFFFAOYSA-N	317.367	-0.167	70	20	DBID	
CC[C@H](C)[C@@H](O)CNC(=O)c1ccnc2c(C(N)=O)cnn12	160035869	IMNXETVELXMCCD-KWQFWETISA-N	305.338	-0.035	70	20	DBID	
CC(C)C[C@H](CO)NC(=O)c1ccnc2c(C(N)=O)cnn12	160712450	KZAZKBRJBZZWQP-SECBINFHSA-N	305.338	-0.035	70	20	DBID	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)c1cnn2c1CCC2	2088602555	MLCKYFBCSQXRJS-MRVPVSSYSA-N	302.331	-0.152	70	20	DBID	
Cn1cnnc1CN1CCCN(CC(=O)N2CCCC2)CC1	160754966	IZJGTNJKLHHAAZ-UHFFFAOYSA-N	306.414	-0.055	70	20	DBID	
O=C(O)CNC(=O)COC(=O)c1ccc(S(=O)(=O)F)cc1	1602070389	XXILTJHCAAPZOT-UHFFFAOYSA-N	319.266	-0.298	70	20	DBID	
Cn1c(=O)n(C)c2cc(S(=O)(=O)N3CC[C@@H](O)C3)ccc21	161146784	REBWPNZWSFVZOV-SECBINFHSA-N	311.363	-0.368	70	20	DBID	
CN(C)C[C@](C)(O)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1521205504	GGRCUFIUXIEGBJ-LLVKDONJSA-N	307.347	-0.285	70	20	DBID	
Cc1c(C(=O)Nc2cn[nH]c2)cnc2c1c(=O)n(C)c(=O)n2C	161450028	DWNNYXZXNCKIRU-UHFFFAOYSA-N	314.305	-0.084	70	20	DBID	
C[C@@H](CO)N(C)C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1	160495874	HDOWKYSGAYTGDX-QMMMGPOBSA-N	306.322	-0.915	70	20	DBID	
C[C@H](CNS(=O)(=O)C[C@H]1CCOC1)CN1CCOCC1	160376771	LLIJZEWIJYDWBR-OLZOCXBDSA-N	306.428	-0.089	70	20	DBID	
N[C@@H]1CCC[C@@H]1C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1	160716738	OULSMDASARYGFT-QWHCGFSZSA-N	321.381	-0.192	70	20	DBID	
CNC(=O)c1cccc(CCNC(=O)CN2CCNCC2=O)c1	160371231	KWNGPCWCUPFJFO-UHFFFAOYSA-N	318.377	-0.863	70	20	DBID	
C[C@@H](CO)CNC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21	160472194	IFGPXBQLFFGFJK-SNVBAGLBSA-N	305.334	-0.176	70	20	DBID	
C[C@]1(C(=O)N2CCCN(S(C)(=O)=O)CC2)CCCNC1	161326721	UHDPLDHGMHLYKV-ZDUSSCGKSA-N	303.428	-0.130	70	20	DBID	
Cn1cc(C[C@H]2CC(=O)N(CCS(=O)(=O)F)C2=O)cn1	883953335	RAWJDTLWUHPKOD-VIFPVBQESA-N	303.315	-0.363	70	20	DBID	
C[C@@H]1[C@H](NCCO)CCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1	986985796	OAJUNMAHNNDEAW-PSASIEDQSA-N	319.358	-0.142	70	20	DBID	
COCCN(CC(=O)O)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1599234056	DIQASIUFPWMIHU-UHFFFAOYSA-N	308.287	-0.154	70	20	DBID	
Cn1cc(CC(=O)NC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)cn1	160297735	LPXYRGYRBMVIBL-RYUDHWBXSA-N	314.411	-0.203	70	20	DBID	
COC(=O)[C@H](O)CNC(=O)c1cc(S(C)(=O)=O)ccc1C	217702973	LRDRWIUYKLIOCW-LLVKDONJSA-N	315.347	-0.338	70	20	DBID	
O=c1c(-c2nn[nH]n2)c2c(cn1CCS(=O)(=O)F)CCC2	1593492697	VNBBPYHSCQESSE-UHFFFAOYSA-N	313.314	-0.184	70	20	DBID	
CCN1C[C@@H](O)[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	958412654	HJGWEKULBKIORG-LDYMZIIASA-N	319.358	-0.285	70	20	DBID	
C[C@@H](O)CN1CC(N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1043896102	MQKKLXIBEONHPL-MRVPVSSYSA-N	319.358	-0.190	70	20	DBID	
CNC(=O)N1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1	1123743425	PZEXNRRSVNPMDI-UHFFFAOYSA-N	318.330	-0.230	70	20	DBID	
CCc1n[nH]c(=O)c(CNC(=O)N2CCNC(=O)[C@H]2C)c1CC	160404588	PZENZCVXYOMFRK-SECBINFHSA-N	321.381	-0.075	70	20	DBID	
Cc1noc([C@@H]2COCCN2CC(=O)N2CCN(C)CC2)n1	161192880	LBLGTOTYMXOPPQ-LBPRGKRZSA-N	309.370	-0.475	70	20	DBID	
CS(=O)(=O)C1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1263791227	NCYOHCNIQAMXJZ-UHFFFAOYSA-N	310.328	-0.458	70	20	DBID	
CS(=O)(=O)C1(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1	1517958648	XBJRCPJQVOAJFQ-UHFFFAOYSA-N	324.355	-0.020	70	20	DBID	
O=C(NCCS(=O)(=O)NCC1CCC1)C1CCNCC1	159670953	BQDLFSZCBRYKEM-UHFFFAOYSA-N	303.428	-0.178	70	20	DBID	
O=C(CCCNC(=O)c1cccnc1)NCC(=O)NC1CC1	160213007	XKRMFMRNKQDSIG-UHFFFAOYSA-N	304.350	-0.014	70	20	DBID	
O=C(O)Cn1cnc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)n1	1574748301	OMLGTRNDQTZWGT-UHFFFAOYSA-N	317.258	-0.399	70	20	DBID	
COC(=O)[C@H](O)CNC(=O)c1ccc(S(C)(=O)=O)cc1	217670482	YYPQAODMMQPFQP-SNVBAGLBSA-N	301.320	-0.646	70	20	DBID	
CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CN(CCO)C1	1043897059	XFIBCYMTOASGKE-UHFFFAOYSA-N	305.331	-0.579	70	20	DBID	
O=C(NC/C=C/CNCCO)c1cc(S(=O)(=O)F)c[nH]1	1754183616	NDRHBJLOMYVAMI-OWOJBTEDSA-N	305.331	-0.459	70	20	DBID	
NC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCN(C3CCCC3)C2)CCO1	160865521	MDALTYARTWDGFR-YPMHNXCESA-N	310.398	-0.101	70	20	DBID	
O=C(NC[C@H]1CCCNC1=O)c1cc(S(=O)(=O)F)c[nH]1	1123523856	IASSDABADIQRMG-SSDOTTSWSA-N	303.315	-0.071	70	20	DBID	
C[C@@H]1C(=O)N(C)CCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1	1340624006	FVMKHWMEKPAVFC-SSDOTTSWSA-N	303.315	-0.024	70	20	DBID	
C[C@H](CO)N(C)C(=O)CCn1[nH]c(=O)c2ccccc2c1=O	160379691	HIBSVMBNDRROBQ-SNVBAGLBSA-N	305.334	-0.081	70	20	DBID	
CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CCC[C@@H](N)C1	217838151	ZGASKONEOITUJV-GHMZBOCLSA-N	305.400	-0.318	70	20	DBID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC[C@@H](NCCO)C1	1000236813	PLSVBLZHKZQURX-SECBINFHSA-N	319.358	-0.141	70	20	DBID	
N#Cc1ncn(CCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)n1	1354885207	KQHKFXDZHSTOTR-UHFFFAOYSA-N	312.286	-0.434	70	20	DBID	
C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@@H](CO)O1	1346929574	RSWSCHJQDKFVJM-SFYZADRCSA-N	306.315	-0.105	70	20	DBID	
COC(=O)[C@@H](O)CNC(=O)[C@H](C)NC(=O)c1cccs1	217703249	DTSHUBCDWNHPNZ-YUMQZZPRSA-N	300.336	-0.484	70	20	DBID	
Cc1nccn1CCCCN1CCN(S(N)(=O)=O)CC1	161347683	SEOQDCDDDDJJFP-UHFFFAOYSA-N	301.416	-0.207	70	20	DBID	
CCOC(=O)c1cn[nH]c1S(=O)(=O)NCC(C)(C)CO	160062359	PXCCEHBXPUQQKI-UHFFFAOYSA-N	305.356	-0.117	70	20	DBID	
C[C@H](O)CN1CC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1015716613	ZIMYXHZFMHTMAS-DTWKUNHWSA-N	319.358	-0.142	70	20	DBID	
CCN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@H]1CC(=O)NC1=O	1348646632	KFSNYQSRSZWNQR-QMMMGPOBSA-N	317.298	-0.450	70	20	DBID	
CC(C)N1C[C@H](NC(=O)N(C)[C@H]2CCS(=O)(=O)C2)CC1=O	217288653	TYTQFWFYQOWJFG-MNOVXSKESA-N	317.411	-0.176	70	20	DBID	
O=C(O)[C@H]1C[C@@H](O)CN1C(=O)c1cc(S(=O)(=O)F)c[nH]1	1602221099	ZPCRNCCKWFLSLX-SVGQVSJJSA-N	306.271	-0.667	70	20	DBID	
Cn1cc(S(=O)(=O)NCC(=O)N[C@H]2CCC[C@H](N)C2)cn1	161310153	CPBLUUMDSBYWHU-UWVGGRQHSA-N	315.399	-0.916	70	20	DBID	
CC(C)N1C[C@H](NC(=O)N[C@H]2CCS(=O)(=O)C2)CC1=O	217288637	ONNRTZXEDFQYFT-VHSXEESVSA-N	303.384	-0.518	70	20	DBID	
C#CCN1C[C@H]2C(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@@H]2C1	961792364	VZKLJZSZLLMDLE-NXEZZACHSA-N	311.338	-0.034	70	20	DBID	
CS(=O)(=O)[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1349611648	NVJZONUSFVZZIC-SSDOTTSWSA-N	324.355	-0.068	70	20	DBID	
C[C@@H]1CN(Cc2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)[C@H](C)CO1	161376368	GLPLOLYEQUDAGG-RKDXNWHRSA-N	307.354	-0.431	70	20	DBID	
CCCn1c(N)c(C(=O)CN2CCCC[C@@H]2CO)c(=O)[nH]c1=O	159921556	WZBZHLSTBGFDSR-SNVBAGLBSA-N	324.381	-0.442	70	20	DBID	
CCc1cc(O)nc(CN2CCN(S(C)(=O)=O)CC2)n1	160597243	FMAAZALCENUZBU-UHFFFAOYSA-N	300.384	-0.178	70	20	DBID	
COC(=O)COCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1347761668	ADHDBJBOABOLQH-UHFFFAOYSA-N	308.287	-0.408	70	20	DBID	
C[C@H](O)CN1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1015716614	ZIMYXHZFMHTMAS-IUCAKERBSA-N	319.358	-0.142	70	20	DBID	
CNC(=O)[C@@H](C)NCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1133980820	CGXUWEGESZQYAG-SSDOTTSWSA-N	320.346	-0.873	70	20	DBID	
CN(CC(=O)NCC(C)(C)N)C1=NS(=O)(=O)c2ccccc21	159962394	DJKWHLXYQYCLPK-UHFFFAOYSA-N	324.406	-0.079	70	20	DBID	
CN1CC[C@H](NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1=O	160496237	KRYAPVZYNUGLGY-VIFPVBQESA-N	310.335	-0.635	70	20	DBID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1C[C@@H](CO)[C@@H](CO)C1	1347082877	KLIVAFKCAHJPGE-OCAPTIKFSA-N	306.315	-0.654	70	20	DBID	
O=C(CN1CCN(Cc2ccncc2)CC1)N1CCNC1=O	161194281	OIQCWBOPZXUXIC-UHFFFAOYSA-N	303.366	-0.249	70	20	DBID	
CNC[C@@H]1CCCN1C(=O)CN(C)c1ncnc2nc[nH]c12	161369889	XHLSIRXLOXUEAQ-JTQLQIEISA-N	303.370	-0.001	70	20	DBID	
CCC(N)(CC)CNC(=O)Cn1cnc2c(cnn2C)c1=O	160529791	QEYPIXDIESPKMY-UHFFFAOYSA-N	306.370	-0.236	70	20	DBID	
CN(C[C@@H]1CCN1CCO)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1085820171	ROZMDBILTNKFRU-VIFPVBQESA-N	319.358	-0.189	70	20	DBID	
O=C(NC/C=C\CNCCO)c1cc(S(=O)(=O)F)c[nH]1	1754183617	NDRHBJLOMYVAMI-UPHRSURJSA-N	305.331	-0.459	70	20	DBID	
CN1CCN(CCNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1	1527342054	WSSLAKXLMPIJKN-UHFFFAOYSA-N	318.374	-0.350	70	20	DBID	
COC(=O)c1ccccc1S(=O)(=O)NCCNC(C)=O	217712498	KXTDVQGPLJGSMF-UHFFFAOYSA-N	300.336	-0.112	70	20	DBID	
C[C@H](CO)N(C)C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1	160434084	RFVIWXSIOPBBGP-MFKMUULPSA-N	304.350	-0.054	70	20	DBID	
Cn1cc(C(=O)NC[C@H]2CCC[C@@H]2NS(C)(=O)=O)cn1	160580292	DOJFFYSNRYYMMA-KOLCDFICSA-N	300.384	-0.132	70	20	DBID	
O=C(NC[C@H]1CCCN1CCO)c1cc(S(=O)(=O)F)c[nH]1	1028142079	YKZLGQBOXUITDP-SECBINFHSA-N	319.358	-0.141	70	20	DBID	
C[C@H](CO)CNS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C	159700623	OZIXBNNZKXBERU-VIFPVBQESA-N	313.379	-0.216	70	20	DBID	
CN1CCO[C@@H]2CN(C(=O)CNC(=O)Cc3ccccc3)C[C@@H]21	159732063	OILGOIBVGHGSPI-LSDHHAIUSA-N	317.389	-0.113	70	20	DBID	
COC(=O)[C@@H](O)CNC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1	217739504	JFHIGRHVGUVLQK-BQBZGAKWSA-N	312.244	-0.953	70	20	DBID	
Cn1cnn(CC(=O)Nc2cccc(S(=O)(=O)F)c2)c1=O	460089051	DYNBFOQOAYAZQJ-UHFFFAOYSA-N	314.298	-0.121	70	20	DBID	
CC[C@@H](C(=O)Nc1cnn(CC(=O)NCCOC)c1)N(C)C	159991319	YXMJHCWBNZPWBX-LBPRGKRZSA-N	311.386	-0.076	70	20	DBID	
C[C@H](CO)N(C)C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1	160495988	HDOWKYSGAYTGDX-MRVPVSSYSA-N	306.322	-0.915	70	20	DBID	
C[C@]1(c2cnccn2)NC(=O)N(CCS(=O)(=O)F)C1=O	883953830	MHUZFKKUDWTGFC-SNVBAGLBSA-N	302.287	-0.457	70	20	DBID	
CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)c1cnsn1	160362352	JQQVZINORKAPLR-HTQZYQBOSA-N	304.397	-0.014	70	20	DBID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC[C@H](NCCCO)C1	1491752188	SYXGKUHMGOLXTI-VIFPVBQESA-N	319.358	-0.141	70	20	DBID	
C=CCN1C[C@H](O)[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1083783248	HTPCRQHHZZJXCZ-MNOVXSKESA-N	317.342	-0.366	70	20	DBID	
C[C@@]1(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCN(CCO)C1	1046626603	AWVKHQSQMJWGDL-GFCCVEGCSA-N	319.358	-0.141	70	20	DBID	
CCN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@@H]1CC(=O)NC1=O	1348646631	KFSNYQSRSZWNQR-MRVPVSSYSA-N	317.298	-0.450	70	20	DBID	
Cn1cc(N2CCC[C@H](N3CCO[C@H](C(N)=O)C3)C2=O)cn1	159903496	NXAIJQBGTCUICS-RYUDHWBXSA-N	307.354	-0.898	70	20	DBID	
CCN(C(=O)CN(C)[C@@H](CN)C1CC1)[C@@H]1CCS(=O)(=O)C1	159989963	KNXNPNVDKNJGTC-OLZOCXBDSA-N	317.455	-0.309	70	20	DBID	
C[C@H](c1ccccc1)N(CC(N)=O)C(=O)CN1CCNCC1=O	161478846	INZPHTJZYQVZGX-GFCCVEGCSA-N	318.377	-0.507	70	20	DBID	
CN(C)CCCNC(=O)c1cc(C(=O)NCCCN(C)C)[nH]n1	218582946	PCQKLCVPJPONES-UHFFFAOYSA-N	324.429	-0.227	70	20	DBID	
C[C@@H](O)CN[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1019396937	BFSIDAURKFQKHB-BDAKNGLRSA-N	319.358	-0.142	70	20	DBID	
CO[C@@H]1CNC[C@H]1NC(=O)Cc1ccc(S(=O)(=O)F)cc1	1579119475	NSGZHOZFQFSKSV-VXGBXAGGSA-N	316.354	-0.010	70	20	DBID	
COC[C@@](C)(NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(=O)O	1599152805	XEOHDMWWYXXXSS-SNVBAGLBSA-N	308.287	-0.108	70	20	DBID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCCN(CCO)CC1	981978135	RXJPSTOYGPZJTK-UHFFFAOYSA-N	319.358	-0.187	70	20	DBID	
Cn1cc(N2CCN(C(=O)CNC[C@H]3CCCO3)CC2=O)cn1	159386831	OYPBCJRMHHRQAD-CYBMUJFWSA-N	321.381	-0.636	70	20	DBID	
CN1C[C@@H](C(=O)Nc2cccc(S(=O)(=O)F)c2)NCC1=O	1578519731	QKIAIHXXBQQOKZ-JTQLQIEISA-N	315.326	-0.287	70	20	DBID	
O=C(N[C@H]1CCS(=O)(=O)C1)c1cc(S(=O)(=O)F)c[nH]1	1262672513	AZBZMHSMXQZQGF-LURJTMIESA-N	310.328	-0.410	70	20	DBID	
C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC[C@H]1CN	160365111	WASLSZQIDDNMHS-UWVGGRQHSA-N	315.399	-0.963	70	20	DBID	
COCCN1CC(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1031983796	MICWSCZVEICFCR-UHFFFAOYSA-N	319.358	-0.019	70	20	DBID	
COC[C@H](O)CCNC(=O)CCn1nc2ccccn2c1=O	161061139	ZLAJSHVMMDQZOF-LLVKDONJSA-N	308.338	-0.600	70	20	DBID	
CCN(C(=O)CN1CCC(C)(O)CC1)[C@@H]1CCS(=O)(=O)C1	161232733	WMCWRLQMHQKTSF-GFCCVEGCSA-N	318.439	-0.131	70	20	DBID	
COC(=O)[C@H](O)CNC(=O)CN(C)C(=O)c1cccs1	217669079	GHNWDCSIZMOPMR-MRVPVSSYSA-N	300.336	-0.530	70	20	DBID	
CCN1CCCN(C(=O)NCCC(=O)N2CCOCC2)CC1	159580836	CZRVYGMOXRZXMA-UHFFFAOYSA-N	312.414	-0.028	70	20	DBID	
NCC(=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1	159795519	ABOSFCSGXWOIFS-CQSZACIVSA-N	302.378	-0.105	70	20	DBID	
CCCn1cnc2c1c(=O)n(CCS(=O)(=O)F)c(=O)n2C	883953220	MDSQDHDGSKPCRC-UHFFFAOYSA-N	318.330	-0.394	70	20	DBID	
C[C@H](NCCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(N)=O	1166871747	PWNWGRAFDTTZIQ-ZETCQYMHSA-N	320.346	-0.744	70	20	DBID	
CS(=O)(=O)NCCCNC(=O)c1ccnc(-n2cccn2)c1	159462568	JOTGEGSEICHVBS-UHFFFAOYSA-N	323.378	-0.064	70	20	DBID	
O=C(N[C@@]1(CCO)CCOC1)c1cc(S(=O)(=O)F)c[nH]1	1520008309	YHCHBDPWAVEOKT-NSHDSACASA-N	306.315	-0.056	70	20	DBID	
NC(=O)[C@@H]1CC[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)O1	1123741539	AGWYZKSUSZUWOP-MUWHJKNJSA-N	319.314	-0.564	70	20	DBID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC[C@H](NCCO)C1	1019397071	HMFUPYMTYWEMBH-QMMMGPOBSA-N	305.331	-0.531	70	20	DBID	
N#CCN1CC(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1031980318	NAPXDXMNRFILDN-UHFFFAOYSA-N	300.315	-0.142	70	20	DBID	
O=C(CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)NCC(F)F	1338815186	KQVBYCCGVZPPNC-UHFFFAOYSA-N	313.257	-0.216	70	20	DBID	
CN(C)C(=O)NCCNS(=O)(=O)c1ccc(N)cc1F	160689136	MSQBKPRYRJEYSC-UHFFFAOYSA-N	304.347	-0.043	70	20	DBID	
O=C(NC1[C@H]2CN(CCO)C[C@H]12)c1cc(S(=O)(=O)F)c[nH]1	961789090	MFNUXTBZCNVFPT-IUCAKERBSA-N	317.342	-0.675	70	20	DBID	
CC(=O)N1CCN(C(=O)CCNC(=O)CCNC(C)C)CC1	159444901	UTBJHAMPGQCTHL-UHFFFAOYSA-N	312.414	-0.429	70	20	DBID	
C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1NCCO	939159252	XVAZEJOXWOOZEK-LDYMZIIASA-N	319.358	-0.285	70	20	DBID	
CCn1c(N)c(C(=O)CN(C)C[C@H]2CCC[C@@H]2O)c(=O)[nH]c1=O	159457570	KNGXXJDZJDIZML-ZJUUUORDSA-N	324.381	-0.586	70	20	DBID	
O=C(CCCn1cccc1)NCC(=O)NCCN1CCOCC1	159493340	ORMNMTLWUXTNHY-UHFFFAOYSA-N	322.409	-0.167	70	20	DBID	
CN(C)C(=O)Cn1cc(C(=O)NCC2(N)CCCCC2)nn1	159495499	ZEDWYYFYDNWGEO-UHFFFAOYSA-N	308.386	-0.242	70	20	DBID	
CCOC(=O)[C@@H](CO)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1521206839	RDGBXCDTLVLNEX-MRVPVSSYSA-N	308.287	-0.673	70	20	DBID	
C[C@H]1CN(S(=O)(=O)C2CCS(=O)(=O)CC2)CC[C@@H]1O	159378585	VFCQDKHIJHINOL-ONGXEEELSA-N	311.425	-0.404	70	20	DBID	
CSC[C@@](C)(O)CNC(=O)[C@@H]1CCCN1S(C)(=O)=O	217672265	QQDLFGAIFOVBMM-ONGXEEELSA-N	310.441	-0.359	70	20	DBID	
CCNC(=O)CNCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1133975859	BZZZJWSGSMNOHB-UHFFFAOYSA-N	320.346	-0.872	70	20	DBID	
Cn1c(=O)n(C)c2cc(S(=O)(=O)NCC(C)(C)O)ccc21	160991661	AYYKFQRVPVHZAG-UHFFFAOYSA-N	313.379	-0.074	70	20	DBID	
NC(=O)[C@@]1(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCOC1	1263852347	KPOUJJNCPHKCLT-SNVBAGLBSA-N	305.287	-0.953	70	20	DBID	
O=C(NCCN(CCO)C1CC1)c1cc(S(=O)(=O)F)c[nH]1	1753160586	TZKJTURREMURIZ-UHFFFAOYSA-N	319.358	-0.141	70	20	DBID	
COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](N)C(C)C	217561748	XMNVXXZMXBRARI-CMPLNLGQSA-N	301.387	-0.210	70	20	DBID	
COCCN1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1=O	1263791261	NPNRYSTURPWMHZ-UHFFFAOYSA-N	319.314	-0.439	70	20	DBID	
Cn1cc(C(=O)N[C@H]2CCN(S(=O)(=O)F)C2)ccc1=O	2088603523	JVSGXILGJMXFBV-VIFPVBQESA-N	303.315	-0.596	70	20	DBID	
C[C@H](CO)N(C)C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21	160440138	RJXMOMZOWFHXHU-SNVBAGLBSA-N	305.334	-0.081	70	20	DBID	
COC[C@@H](O)CCNC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1	161138101	YXBNNRWLHXKZRB-BDAKNGLRSA-N	312.288	-0.089	70	20	DBID	
O=C1CN(C(=O)CN2CCN(c3ccncc3)CC2)CCN1	161362344	NHWFEDKJHOIFHU-UHFFFAOYSA-N	303.366	-0.838	70	20	DBID	
C[C@H]1CN(Cc2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)[C@H](C)CO1	161376499	GLPLOLYEQUDAGG-BDAKNGLRSA-N	307.354	-0.431	70	20	DBID	
CSC[C@@](C)(O)CNC(=O)CCCN1C(=O)CN(C)C1=O	217627485	NZJALYQPBJPZQS-ZDUSSCGKSA-N	317.411	-0.109	70	20	DBID	
CC[C@H](NCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(N)=O	1133981592	USQZHHSSNKWMQH-QMMMGPOBSA-N	320.346	-0.744	70	20	DBID	
O=C(N[C@H]1CCN(CCO)C1)c1cc(S(=O)(=O)F)c[nH]1	1015719887	XTTBYGMSIDSAIO-QMMMGPOBSA-N	305.331	-0.531	70	20	DBID	
CNC(=O)c1cc(S(=O)(=O)N(C)[C@H](CN)C2CC2)cn1C	159933313	CLNLVZZITVKRPQ-GFCCVEGCSA-N	314.411	-0.258	70	20	DBID	
CNC(=O)[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CCO1	1263760421	CINRPLAIADQHBA-VIFPVBQESA-N	319.314	-0.740	70	20	DBID	
CN(CCO)[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	972359988	VMSYFVZJFFCCMX-VIFPVBQESA-N	319.358	-0.189	70	20	DBID	
CC(=O)N(CCO)CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1056740646	WIPKCIYXLTUPSJ-UHFFFAOYSA-N	321.330	-0.757	70	20	DBID	
CCN(C(=O)CN1CCC[C@@H](CN)C1)[C@H]1CCS(=O)(=O)C1	217549426	KEZGAVVILDNCCP-STQMWFEESA-N	317.455	-0.307	70	20	DBID	
CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NC2[C@@H]3CNC[C@@H]23)C1	217801485	DOKRNLYCQYVOMG-GMTAPVOTSA-N	317.411	-0.686	70	20	DBID	
CN[C@@H]1CCN(C(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)C1	160613508	MISQANFZZNRVGW-LLVKDONJSA-N	316.361	-0.100	70	20	DBID	
CCCN1CCCN(C(=O)c2cn(CC(=O)N(C)C)nn2)CC1	160365920	ZCEZZRVNFRWPPV-UHFFFAOYSA-N	322.413	-0.076	70	20	DBID	
CC(C)CN1CCC[C@@H]1CNC(=O)Cn1ccc(=O)n(C)c1=O	160560505	ORLVLCUTRDGONY-CYBMUJFWSA-N	322.409	-0.216	70	20	DBID	
CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCC[C@@H](CN)C1	217539072	UNXVZAWHFPAYBX-RYUDHWBXSA-N	319.427	-0.071	70	20	DBID	
CN1CCO[C@@H]2CN(C(=O)CNC(=O)c3ccccc3)C[C@@H]21	159703584	SKQSKWDRPFWNBR-UONOGXRCSA-N	303.362	-0.042	70	20	DBID	
O=C1CC[C@H]2CN(S(=O)(=O)CC3CCNCC3)CC[C@H]2N1	160448287	XQVJYGWURNTNRD-QWHCGFSZSA-N	315.439	-0.084	70	20	DBID	
O=C(NC[C@@H]1CCCS1(=O)=O)c1cc(S(=O)(=O)F)c[nH]1	1337489553	BUFWXNNLYYHTDV-ZETCQYMHSA-N	324.355	-0.020	70	20	DBID	
NC(=O)Cn1ccc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)n1	1336920241	GANRMTOAGFNBND-UHFFFAOYSA-N	315.286	-0.393	70	20	DBID	
NCC(=O)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1	159795395	ABOSFCSGXWOIFS-AWEZNQCLSA-N	302.378	-0.105	70	20	DBID	
O=C(NCCCNCCCO)c1cc(S(=O)(=O)F)c[nH]1	1166878687	DNCSKKOJAZHUJB-UHFFFAOYSA-N	307.347	-0.235	70	20	DBID	
CN1CCN(C)[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1519146778	NTVJHEYENDEXIU-SECBINFHSA-N	318.374	-0.352	70	20	DBID	
O=C(NCCCN1C(=O)CNC1=O)[C@H]1Cc2ccccc2CN1	159388984	NJKLWFVQKZYGGL-CYBMUJFWSA-N	316.361	-0.241	70	20	DBID	
O=C(NC[C@H]1C[C@@H](NCCO)C1)c1cc(S(=O)(=O)F)c[nH]1	1086201308	TYHVZFCYKIBRGD-DTORHVGOSA-N	319.358	-0.237	70	20	DBID	
C#CCN1C[C@@H](O)[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1077689480	NYYMGKOPTLLNEK-GHMZBOCLSA-N	315.326	-0.919	70	20	DBID	
CCN1CCC[C@@H]1CNC(=O)N1CC[C@H](S(=O)(=O)NC)C1	160326708	CVAXDFKOERURNT-NEPJUHHUSA-N	318.443	-0.196	70	20	DBID	
COC[C@](C)(NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(=O)OC	1121032315	OBMQMUCYZKSBEL-NSHDSACASA-N	322.314	-0.019	70	20	DBID	
CCOC(=O)C[C@@H](C)NC(=O)Cn1nc2ccccn2c1=O	160095142	HQLGPUJZLILNLU-SNVBAGLBSA-N	306.322	-0.046	70	20	DBID	
C[C@@H]1OCC[C@]1(O)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1351946928	RMZORTWQWZFZTE-CPCISQLKSA-N	306.315	-0.057	70	20	DBID	
NC(=O)CN(CC(N)=O)C(=O)Cc1ccc(F)cc1Cl	160363712	VZUBYSOTOGEIDO-UHFFFAOYSA-N	301.705	-0.179	70	20	DBID	
O=C(Cn1cnc2ccccc2c1=O)N1CC[C@H](CO)[C@@H](O)C1	216864363	AOXUICRMNGHSGS-RISCZKNCSA-N	317.345	-0.402	70	20	DBID	
CC(=O)c1cc(C(=O)NC2CN(S(=O)(=O)F)C2)n(C)c1	2088606367	ZOYFSPNMTRVQLS-UHFFFAOYSA-N	303.315	-0.144	70	20	DBID	
C#CCN1C[C@H](O)[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1083783361	NYYMGKOPTLLNEK-MNOVXSKESA-N	315.326	-0.919	70	20	DBID	
CC(C)N1CCN(C(=O)c2ccnc3c(C(N)=O)cnn23)CC1	159797013	GQAKDQPLJZVKLF-UHFFFAOYSA-N	316.365	-0.006	70	20	DBID	
COC[C@@H](O)CCNC(=O)Cn1nnc(-c2ccccc2)n1	161508812	KHHJTVGAEVHQRY-LBPRGKRZSA-N	305.338	-0.146	70	20	DBID	
CC(=O)NC1[C@@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C[C@@H]12	1012637502	VDAKBRJEHQCODM-RKDXNWHRSA-N	315.326	-0.121	70	20	DBID	
C=CCN1C[C@@H](O)[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1077689351	HTPCRQHHZZJXCZ-GHMZBOCLSA-N	317.342	-0.366	70	20	DBID	
C[C@@H]1CN(C)C(=O)CN1C(=O)c1cc(S(=O)(=O)F)c[nH]1	1338986080	WKWCZACYSSNEON-SSDOTTSWSA-N	303.315	-0.024	70	20	DBID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC[C@@H](O)[C@@H](CO)C1	1349622039	APYXRMUBDSPQSP-GMSGAONNSA-N	306.315	-0.512	70	20	DBID	
O=S(=O)(N[C@@H]1CCN(c2ccccn2)C1)N1CCOCC1	159371382	FYFXSFGZPWIUIJ-GFCCVEGCSA-N	312.395	-0.173	70	20	DBID	
O=C1CC[C@@H]2CN(S(=O)(=O)CC3CCNCC3)CC[C@@H]2N1	160448406	XQVJYGWURNTNRD-OLZOCXBDSA-N	315.439	-0.084	70	20	DBID	
CN(CC(=O)N1CCOCC1)C(=O)N[C@@H]1CCN(CC2CC2)C1	160647703	XELSMDKMFXDSJD-CQSZACIVSA-N	324.425	-0.029	70	20	DBID	
CC(=O)NCCN(CCO)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1058863546	YXJUJIHNNQZCAT-UHFFFAOYSA-N	321.330	-0.757	70	20	DBID	
O=C(O)CN1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1	1602062127	DOJALPSYVZUNFO-UHFFFAOYSA-N	319.314	-0.485	70	20	DBID	
COCCN1C[C@@H](C(=O)NC[C@](C)(O)CSC)CC1=O	217661170	AYOCRMXDQYNMCL-GWCFXTLKSA-N	304.412	-0.289	70	20	DBID	
CCCN1C[C@H](O)[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1083786293	SAFHILQGHGNKLQ-MNOVXSKESA-N	319.358	-0.142	70	20	DBID	
COC[C@@](C)(NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(=O)OC	1121032313	OBMQMUCYZKSBEL-LLVKDONJSA-N	322.314	-0.019	70	20	DBID	
CN1C(=O)CN(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1=O	1527976237	AVBAZBYTVOJGKJ-UHFFFAOYSA-N	304.259	-0.788	70	20	DBID	
C[C@H](CNC(=O)N[C@H]1CCc2ncnn2C1)CN1CCOCC1	161115068	ZVAQPFFYXZHCCH-OLZOCXBDSA-N	322.413	-0.140	70	20	DBID	
COC[C@H](O)CCNC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1	161137974	YXBNNRWLHXKZRB-RKDXNWHRSA-N	312.288	-0.089	70	20	DBID	
COC(=O)NNS(=O)(=O)c1ccc(S(=O)(=O)F)cc1	490535872	GCFHIPOBTMXBJI-UHFFFAOYSA-N	312.300	-0.106	70	20	DBID	
O=C(O)[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CCO1	1594948967	PYHHPXPXCJGSQP-MRVPVSSYSA-N	306.271	-0.402	70	20	DBID	
Cc1nn(C)c(=O)c(-c2nnn(CCS(=O)(=O)F)n2)c1C	883953555	ZWYCMXJOLPOQNW-UHFFFAOYSA-N	316.318	-0.650	70	20	DBID	
COC(=O)[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CCO1	1348647675	UUSWPZHCPBQWQK-SECBINFHSA-N	320.298	-0.313	70	20	DBID	
O=C(N[C@@]1(C(=O)O)CCOC1)c1cc(S(=O)(=O)F)c[nH]1	1594724436	WHRZFEUKCKMYGF-JTQLQIEISA-N	306.271	-0.354	70	20	DBID	
O=c1c(F)cn([C@@H]2CCCO2)c(=O)n1CCS(=O)(=O)F	883953280	OPELZKVYUBASDS-QMMMGPOBSA-N	310.278	-0.243	70	20	DBID	
COC(=O)[C@@H](O)CNC(=O)CN(C)C(=O)c1cccs1	217669002	GHNWDCSIZMOPMR-QMMMGPOBSA-N	300.336	-0.530	70	20	DBID	
C[C@@]1(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCS(=O)(=O)C1	1336413879	RFHNKFAAGKHSCZ-SNVBAGLBSA-N	324.355	-0.020	70	20	DBID	
CN1CC[C@@](O)(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1351578458	MRIWPHKHBFXWSY-LLVKDONJSA-N	305.331	-0.531	70	20	DBID	
CN1CCC(O)(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1	1520866536	WYZQMPYBUCNLIA-UHFFFAOYSA-N	319.358	-0.141	70	20	DBID	
CC(=O)N1CCN(C(=O)c2ccc[nH]2)[C@@H]2CS(=O)(=O)C[C@@H]21	216691189	QBLSHDUPWHANCL-NWDGAFQWSA-N	311.363	-0.515	70	20	DBID	
CC(C)(C)S(=O)(=O)CC(=O)NCC(=O)NCC(F)(F)F	160971814	ZOSAQABZUFCHIX-UHFFFAOYSA-N	318.317	-0.006	70	20	DBID	
C[C@H]1OCC[C@]1(O)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1351946929	RMZORTWQWZFZTE-HQJQHLMTSA-N	306.315	-0.057	70	20	DBID	
C[C@H](O)CNCCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1166871405	CZIPEAMEDAXNHR-QMMMGPOBSA-N	307.347	-0.237	70	20	DBID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC[C@@H](O)[C@H](CO)C1	1349622040	APYXRMUBDSPQSP-OIBJUYFYSA-N	306.315	-0.512	70	20	DBID	
CCCc1cc(N2CCN(C(=O)CO)CC2)n2ncnc2n1	160973158	PDZKHKJIKGHUOU-UHFFFAOYSA-N	304.354	-0.282	70	20	DBID	
Cc1nn(C)c2ncc(S(=O)(=O)N[C@H]3CCN(C)C3=O)cc12	160469452	KFLIIIZERMGUBX-NSHDSACASA-N	323.378	-0.214	70	20	DBID	
CC(=O)N1CCN(C(=O)CCNC(=O)C2(N)CCCCC2)CC1	159446193	DFFARQQCBPPICL-UHFFFAOYSA-N	324.425	-0.155	70	20	DBID	
CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCC[C@@H](N)C2)C1	217838245	FOCHUYDUGPTKOY-VXGBXAGGSA-N	319.427	-0.071	70	20	DBID	
Cn1cc(C(=O)NNC(=O)c2cc(S(=O)(=O)F)c[nH]2)cn1	1262733647	YYIKMFOCTBDMNM-UHFFFAOYSA-N	315.286	-0.519	70	20	DBID	
Cn1cc(C(=O)NC[C@H]2CCC[C@H]2NS(C)(=O)=O)cn1	160580525	DOJFFYSNRYYMMA-MWLCHTKSSA-N	300.384	-0.132	70	20	DBID	
CC[C@@]1(c2cnn(C)c2)NC(=O)N(CCS(=O)(=O)F)C1=O	883953246	NHZYIAHOTJRXED-NSHDSACASA-N	318.330	-0.124	70	20	DBID	
CN[C@H]1CCN(C(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)C1	160613621	MISQANFZZNRVGW-NSHDSACASA-N	316.361	-0.100	70	20	DBID	
O=C1C[C@H](C(=O)N2CCN(CCN3CCCC3)CC2)CCN1	159978156	XWYDZUZNCYPMPS-CQSZACIVSA-N	308.426	-0.247	70	20	DBID	
CN(C)C(=O)NCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1351580000	ZHFABYOLUAAAMC-UHFFFAOYSA-N	306.319	-0.326	70	20	DBID	
Cn1cc(CC(=O)NC[C@@H]2CCC[C@H]2NS(C)(=O)=O)cn1	160298016	LPXYRGYRBMVIBL-NWDGAFQWSA-N	314.411	-0.203	70	20	DBID	
COC[C@H](O)CCNC(=O)Cc1c(C)nc2cc(=O)[nH]n2c1C	161400524	PBGKALOFPMNIBT-LLVKDONJSA-N	322.365	-0.304	70	20	DBID	
C[C@@H](NCCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(N)=O	1166871746	PWNWGRAFDTTZIQ-SSDOTTSWSA-N	320.346	-0.744	70	20	DBID	
C[C@@H]1[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCS1(=O)=O	1338944268	PYKUGPULXDHXOL-HTRCEHHLSA-N	324.355	-0.022	70	20	DBID	
CNC(=O)[C@H](C)NCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1133980821	CGXUWEGESZQYAG-ZETCQYMHSA-N	320.346	-0.873	70	20	DBID	
COCCN(CCO)C(=O)CSc1nnnn1C1CC1	160604126	FEIBNZZSJNDTKF-UHFFFAOYSA-N	301.372	-0.433	70	20	DBID	
COCCNC(=O)Cn1cc(NC(=O)[C@@H](N)CC(C)C)cn1	160712917	WFDVBFRHKSBDSI-LBPRGKRZSA-N	311.386	-0.042	70	20	DBID	
Cc1[nH]ncc1CCCNC(=O)NC[C@H]1CC[C@@H](C(N)=O)O1	160238298	LSMBWHFFAFTHCS-NEPJUHHUSA-N	309.370	-0.017	70	20	DBID	
CCN1CCC[C@H]1CNC(=O)N1CC[C@H](S(=O)(=O)NC)C1	160326825	CVAXDFKOERURNT-RYUDHWBXSA-N	318.443	-0.196	70	20	DBID	
CN1C[C@H](C(=O)Nc2cccc(S(=O)(=O)F)c2)NCC1=O	1578519732	QKIAIHXXBQQOKZ-SNVBAGLBSA-N	315.326	-0.287	70	20	DBID	
CCCN[C@H](CO)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1755639558	SHVRTXJLWKYFIG-QMMMGPOBSA-N	307.347	-0.237	70	20	DBID	
CN(CC(C)(CO)CO)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1527976757	IQDDZSLAQXOSBF-UHFFFAOYSA-N	308.331	-0.264	70	20	DBID	
CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CN(CCCO)C1	1043895130	CLDOFQPXTSTFAY-UHFFFAOYSA-N	319.358	-0.189	70	20	DBID	
O=C1CC[C@@H]2CN(C(=O)C[C@@H]3CCS(=O)(=O)C3)CC[C@H]2N1	160691239	FDULMXUVSKWSQE-QJPTWQEYSA-N	314.407	-0.062	70	20	DBID	
CCN(C(=O)CN1CCC[C@@H](N)C1)[C@@H]1CCS(=O)(=O)C1	217522086	SMNYPQTZDLOQNC-VXGBXAGGSA-N	303.428	-0.555	70	20	DBID	
O=C(NCC1(O)CCOCC1)c1cc(S(=O)(=O)F)c[nH]1	1123648781	MITNKHCSQFNHHN-UHFFFAOYSA-N	306.315	-0.056	70	20	DBID	
CNC[C@H]1CCCN1C(=O)CN(C)c1ncnc2nc[nH]c12	161370024	XHLSIRXLOXUEAQ-SNVBAGLBSA-N	303.370	-0.001	70	20	DBID	
Cc1oc(C(=O)N2CCNCC2)cc1S(=O)(=O)N(C)C	159455621	DQNVIWHGJVUGJM-UHFFFAOYSA-N	301.368	-0.116	70	20	DBID	
C[C@H](CNC(=O)N[C@@H]1CCc2ncnn2C1)CN1CCOCC1	161114885	ZVAQPFFYXZHCCH-CHWSQXEVSA-N	322.413	-0.140	70	20	DBID	
COC(=O)[C@H](O)CNC(=O)CNC(=O)c1cccc(Cl)c1	217676534	SVPXZARMYWCZML-SNVBAGLBSA-N	314.725	-0.280	70	20	DBID	
CCN1C[C@H](O)[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	958412652	HJGWEKULBKIORG-KCJUWKMLSA-N	319.358	-0.285	70	20	DBID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCN2C(=O)OC[C@@H]2C1	1123647632	BITBMLLOSBJMHY-ZETCQYMHSA-N	317.298	-0.051	70	20	DBID	
COC[C@](C)(NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(=O)O	1599152803	XEOHDMWWYXXXSS-JTQLQIEISA-N	308.287	-0.108	70	20	DBID	
O=C1CN(C(=O)CN2CCN(Cc3ccncc3)CC2)CCN1	161208517	XHZQFNOXKURYAF-UHFFFAOYSA-N	317.393	-0.842	70	20	DBID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N(CCO)CCOCCO	1123915861	HSQLABBSHYYTSM-UHFFFAOYSA-N	324.330	-0.884	70	20	DBID	
Cn1cc([C@@H](CO)NC(=O)c2cc(S(=O)(=O)F)c[nH]2)cn1	1521207566	ZUFGRDHMMNWGHZ-SNVBAGLBSA-N	316.314	-0.130	70	20	DBID	
O=C(NC1CC=CC1)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1	161071240	GQUFBHJPOKKWJY-CMPLNLGQSA-N	312.391	-0.143	70	20	DBID	
O=C(N[C@H]1CCCN(O)C1=O)c1cc(S(=O)(=O)F)c[nH]1	1263790966	GARVYWSLEKWGNG-ZETCQYMHSA-N	305.287	-0.217	70	20	DBID	
O=C(O)[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CCO1	1594948970	PYHHPXPXCJGSQP-QMMMGPOBSA-N	306.271	-0.402	70	20	DBID	
O=C1CC[C@H]2CN(S(=O)(=O)N3CCOCC3)CC[C@H]2N1	160721852	PMKKDWYSTMILKX-WDEREUQCSA-N	303.384	-0.836	70	20	DBID	
O=C(N[C@]1(C(=O)O)CCOC1)c1cc(S(=O)(=O)F)c[nH]1	1594724437	WHRZFEUKCKMYGF-SNVBAGLBSA-N	306.271	-0.354	70	20	DBID	
CC(=O)N1CC[C@@H](NC(=O)CCn2nc3ccccn3c2=O)C1	159740839	NSQMJNNTZVDIHZ-GFCCVEGCSA-N	317.349	-0.377	70	20	DBID	
COC(=O)CN(C)CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1519744646	BISQIMRNKWGPEW-UHFFFAOYSA-N	321.330	-0.493	70	20	DBID	
COC[C@H]1C[C@@H](O)CN1C(=O)c1cc(S(=O)(=O)F)c[nH]1	1521438429	PZTNSECGCSYAET-HTQZYQBOSA-N	306.315	-0.105	70	20	DBID	
CCc1n[nH]c(=O)c(CNC(=O)N2CCNC(=O)[C@@H]2C)c1CC	160404455	PZENZCVXYOMFRK-VIFPVBQESA-N	321.381	-0.075	70	20	DBID	
CNC(=O)CN(C)S(=O)(=O)c1cc(F)ccc1C(=O)OC	218053100	GULLWMMDQYYVSU-UHFFFAOYSA-N	318.326	-0.021	70	20	DBID	
CCc1ncc(S(=O)(=O)NC2CN(S(=O)(=O)F)C2)[nH]1	2088602445	DQBWUXSUOLMYAJ-UHFFFAOYSA-N	312.348	-0.851	70	20	DBID	
CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)c1cnns1	160296427	WFFDGFUUAAWBJC-JGVFFNPUSA-N	304.397	-0.014	70	20	DBID	
NC(=O)Cn1cc(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)cn1	1346041076	ZRAMPEDZDXEKGO-UHFFFAOYSA-N	315.286	-0.393	70	20	DBID	
Cn1cc(CC(=O)NC[C@H]2CCC[C@@H]2NS(C)(=O)=O)cn1	160297882	LPXYRGYRBMVIBL-NEPJUHHUSA-N	314.411	-0.203	70	20	DBID	
Cc1cc(NC(=O)CN2CCN(Cc3nncn3C)CC2)no1	160732184	UNLAHTYSJUOFTQ-UHFFFAOYSA-N	319.369	-0.132	70	20	DBID	
Cn1cc(S(N)(=O)=O)cc1C(=O)N1CCC(C)(O)CC1	161379452	DAMYDCQZYGJTDF-UHFFFAOYSA-N	301.368	-0.341	70	20	DBID	
CN(C)CCN1C[C@H](C(=O)N2C[C@@H]3CCC[C@H](C2)N3)CC1=O	159916946	BXIKZLVWROHELT-MCIONIFRSA-N	308.426	-0.251	70	20	DBID	
Cn1cc(S(=O)(=O)NCC(=O)N[C@H]2CCC[C@@H](N)C2)cn1	161310389	CPBLUUMDSBYWHU-ZJUUUORDSA-N	315.399	-0.916	70	20	DBID	
O=C(N[C@H]1[C@@H]2CN(CCO)C[C@@H]21)c1cc(S(=O)(=O)F)c[nH]1	961789099	MFNUXTBZCNVFPT-JZYVYDRUSA-N	317.342	-0.675	70	20	DBID	
C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NCC(C)(C)N	160013726	XVLMNNBASWJVCQ-SECBINFHSA-N	324.406	-0.033	70	20	DBID	
O=C(NCC1CN(CCCO)C1)c1cc(S(=O)(=O)F)c[nH]1	1031983800	MKKZSBWZGDMRKR-UHFFFAOYSA-N	319.358	-0.283	70	20	DBID	
Cn1nccc1C(=O)NC[C@H]1CCC[C@@H]1NS(C)(=O)=O	160502536	HOIBJDZEQDSOFQ-ZJUUUORDSA-N	300.384	-0.132	70	20	DBID	
NC(=O)N[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1123647604	AXJNQCMYJCMMER-ZCFIWIBFSA-N	304.303	-0.444	70	20	DBID	
CC(=O)NCC1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1000596019	RTLFJYUKQSTNMT-UHFFFAOYSA-N	303.315	-0.119	70	20	DBID	
Cn1cc(C(=O)NC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)cn1	160580159	DOJFFYSNRYYMMA-ONGXEEELSA-N	300.384	-0.132	70	20	DBID	
CN([C@@H](CN)C1CC1)S(=O)(=O)c1cc(C(N)=O)n(C)c1	159914825	IYLASEJKKICIQP-NSHDSACASA-N	300.384	-0.518	70	20	DBID	
COC(=O)CN(CC#N)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1121032375	OYZHANXAKYYVJX-UHFFFAOYSA-N	303.271	-0.188	70	20	DBID	
CN(CC(=O)N1CC[C@@H](N)C1)C1=NS(=O)(=O)c2ccccc21	160209565	XJLBMDZQYUPBTG-SNVBAGLBSA-N	322.390	-0.373	70	20	DBID	
CC(C)(C)c1nsc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1	159872575	NPDIOWIUWTVVER-MRVPVSSYSA-N	309.395	-0.017	70	20	DBID	
CCN(CC)C(=O)CN1CCN(C(=O)[C@@H]2CCNC(=O)C2)CC1	160204379	SEYBKJPKOYVXKK-CYBMUJFWSA-N	324.425	-0.475	70	20	DBID	
Cn1cc([C@]2(C)CN(C[C@H](O)CN3CCCC3=O)CCO2)cn1	159430773	NNHMHJHWYRTRPQ-HOCLYGCPSA-N	322.409	-0.049	70	20	DBID	
O=C(NC[C@H](O)Cn1ccnn1)c1cc(S(=O)(=O)F)c[nH]1	1123728640	XZKVUGRBNMHQND-ZETCQYMHSA-N	317.302	-0.945	70	20	DBID	
Cn1cc(CC(=O)NC[C@H]2CCC[C@H]2NS(C)(=O)=O)cn1	160298139	LPXYRGYRBMVIBL-VXGBXAGGSA-N	314.411	-0.203	70	20	DBID	
NS(=O)(=O)CCN1CCN(Cc2cnc3ccccn23)CC1	160864122	ZOAYZGUJYDUXNG-UHFFFAOYSA-N	323.422	-0.260	70	20	DBID	
O=C1CN(C(=O)[C@H]2CNCCO2)CCN1Cc1cccc(F)c1	161011832	PPEBTYBINYJDKD-CQSZACIVSA-N	321.352	-0.015	70	20	DBID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCN2C(=O)OC[C@H]2C1	1123647628	BITBMLLOSBJMHY-SSDOTTSWSA-N	317.298	-0.051	70	20	DBID	
O=C1CC[C@H]2CN(S(=O)(=O)CC3CCNCC3)CC[C@@H]2N1	160448168	XQVJYGWURNTNRD-STQMWFEESA-N	315.439	-0.084	70	20	DBID	
Cn1cnnc1CN1CCN(CC(=O)N2CCCCC2)CC1	160724549	ATIFARJMHIKECL-UHFFFAOYSA-N	306.414	-0.055	70	20	DBID	
Cn1cc([C@@]2(C)NC(=O)N(CCS(=O)(=O)F)C2=O)cn1	883953343	ROWIJOHATWCJOH-SNVBAGLBSA-N	304.303	-0.514	70	20	DBID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCOC[C@H]1CCO	1350538781	MJKBPLLGHJGJLY-MRVPVSSYSA-N	306.315	-0.104	70	20	DBID	
COC(=O)CCNC(=O)CN1CCN(c2ccncc2)CC1	161368703	HZYDUHIBNFHNHS-UHFFFAOYSA-N	306.366	-0.117	70	20	DBID	
COCCN(CCO)C(=O)CSCC(=O)N1CCOCC1	160605369	JXZXPABCUQSSNH-UHFFFAOYSA-N	320.411	-0.954	70	20	DBID	
CN[C@@H]1CCN(C(=O)CCn2[nH]c(=O)c3ccccc3c2=O)C1	160615516	QHLLKQZQDQCOMS-LLVKDONJSA-N	316.361	-0.100	70	20	DBID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC[C@@H](NCCCO)C1	1185731364	SYXGKUHMGOLXTI-SECBINFHSA-N	319.358	-0.141	70	20	DBID	
CN(C)CCN(CC(=O)O)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1593699870	NPDIHDANCNUREN-UHFFFAOYSA-N	321.330	-0.239	70	20	DBID	
CCOC(=O)[C@H]1CCCN1S(=O)(=O)NCC(C)(C)CO	160353576	QWUDPIANXXPZKF-SNVBAGLBSA-N	308.400	-0.133	70	20	DBID	
CC(C)N1C[C@@H](O)[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1077690888	DBHUUQYWLVKKEK-GHMZBOCLSA-N	319.358	-0.144	70	20	DBID	
CC[C@]1(c2cnn(C)c2)NC(=O)N(CCS(=O)(=O)F)C1=O	883953245	NHZYIAHOTJRXED-LLVKDONJSA-N	318.330	-0.124	70	20	DBID	
N#CCN1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1037584153	DERDECMPFKMBGS-PPKCKEKNSA-N	312.326	-0.001	70	20	DBID	
O=C(NCc1nnnn1C1CC1)c1cc(S(=O)(=O)F)c[nH]1	1340081489	CLWJTDVBBDMEPJ-UHFFFAOYSA-N	314.302	-0.076	70	20	DBID	
Cn1ccnc1CN1CCN(C(=O)C(=O)N2CCCC2)CC1	160799809	UFFHKDRKUASIPV-UHFFFAOYSA-N	305.382	-0.313	70	20	DBID	
C[C@@H]1CN(CCO)C[C@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1080466534	QQEJHKFEXVIULW-LDYMZIIASA-N	319.358	-0.285	70	20	DBID	
Cn1cc(S(=O)(=O)NCC(=O)N[C@@H]2CCC[C@@H](N)C2)cn1	161310270	CPBLUUMDSBYWHU-NXEZZACHSA-N	315.399	-0.916	70	20	DBID	
COC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(OC)cc1	217339591	LNXLMQUUVYNELP-CABZTGNLSA-N	315.347	-0.008	70	20	DBID	
C[C@H]1[C@H](NCCO)CCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1	986985811	OAJUNMAHNNDEAW-WCBMZHEXSA-N	319.358	-0.142	70	20	DBID	
C[C@H]1CS(=O)(=O)CCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1	1263760347	AQWQWAANJJGYQI-ZETCQYMHSA-N	324.355	-0.068	70	20	DBID	
CSC[C@@](C)(O)CNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1	217670832	WFYITNIKHVOCJQ-JQWIXIFHSA-N	324.468	-0.112	70	20	DBID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCS(=O)(=O)CC1	1345747809	KTFSGYZVKNSENY-UHFFFAOYSA-N	310.328	-0.457	70	20	DBID	
O=C(NC[C@@H]1CCCNC1=O)c1cc(S(=O)(=O)F)c[nH]1	1123523862	IASSDABADIQRMG-ZETCQYMHSA-N	303.315	-0.071	70	20	DBID	
COC(=O)[C@@H](O)CNC(=O)c1cccc(S(C)(=O)=O)c1	217710927	WSDRPULINWSMRE-JTQLQIEISA-N	301.320	-0.646	70	20	DBID	
CCC[C@@H](O)[C@@H](CO)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1347341143	YFLIWRIZVWPOKD-NXEZZACHSA-N	308.331	-0.075	70	20	DBID	
C[C@H](O)CN1CC(CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1031983491	BMFHETORYYEZDK-QMMMGPOBSA-N	319.358	-0.285	70	20	DBID	
CNCC(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@H](C)C2)c1	160710168	SRNFNJHKJNFVQC-PHIMTYICSA-N	309.370	-0.323	70	20	DBID	
CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1047530008	ZDGUUFSFJSAHQY-QWRGUYRKSA-N	319.358	-0.190	70	20	DBID	
COCC[C@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(N)=O	1120944775	YHGXZIXRQMIBHL-ZETCQYMHSA-N	307.303	-0.707	70	20	DBID	
CS(=O)(=O)N1CCN(C(=O)NCC2CCOCC2)CC1	218718403	FMWKVPIAZDGVAM-UHFFFAOYSA-N	305.400	-0.300	70	20	DBID	
Cc1cc(O)cc(=O)n1CC(=O)NC[C@@H](O)CN1CCCCC1	160653057	YZPXSQLDFSZOJC-CQSZACIVSA-N	323.393	-0.175	70	20	DBID	
C[C@H]1OCC[C@@]1(O)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1351946930	RMZORTWQWZFZTE-RDDDGLTNSA-N	306.315	-0.057	70	20	DBID	
C[C@@H]1CCNC(=O)[C@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1337485848	IWZLWNZAEVHNGU-MUWHJKNJSA-N	303.315	-0.073	70	20	DBID	
CCNCC1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)CC1	161102143	BHCSZXDOVZRINN-UHFFFAOYSA-N	308.382	-0.605	70	20	DBID	
NC(=O)NC(=O)CCCN1Cc2ccccc2C[C@@H]1C(N)=O	216929308	NPVPIRBOZWMJPX-GFCCVEGCSA-N	304.350	-0.126	70	20	DBID	
C[C@@H](O)CN1CC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1015716615	ZIMYXHZFMHTMAS-RKDXNWHRSA-N	319.358	-0.142	70	20	DBID	
O=C(N[C@H]1[C@H]2C[C@H]1N(CCO)C2)c1cc(S(=O)(=O)F)c[nH]1	1037584213	FZWBWUZKPUPEPD-XROYCOCOSA-N	317.342	-0.532	70	20	DBID	
CCN1C[C@H](O)[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1083786398	XTOYJPUSTLLQRA-ZJUUUORDSA-N	305.331	-0.532	70	20	DBID	
CSCC[C@H](N)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1	161024750	UITFZMQEFWQPGH-NSHDSACASA-N	311.411	-0.324	70	20	DBID	
Cn1cnn(CC(=O)Nc2ccc(S(=O)(=O)F)cc2)c1=O	123029096	OMEUJSFBCWPRPH-UHFFFAOYSA-N	314.298	-0.121	70	20	DBID	
CC(=O)N1C[C@@H]2C(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@H]2C1	1013807399	NQDNVRHAXNPLOU-IUCAKERBSA-N	315.326	-0.121	70	20	DBID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCCS(=O)(=O)CC1	1346290338	DMZDVQDSFRFXDS-UHFFFAOYSA-N	324.355	-0.066	70	20	DBID	
C[C@@H](NC(N)=O)C(=O)N(C)CC(C)(C)CN1CCOCC1	159921086	IVZBJXCLFUNFNX-LLVKDONJSA-N	300.403	-0.140	70	20	DBID	
CN1CCO[C@H]2CN(C(=O)Cn3c(=O)[nH]c4ccccc43)C[C@@H]21	159727001	YVCXDICMUXLXNS-KBPBESRZSA-N	316.361	-0.129	70	20	DBID	
CCOC(=O)CCS(=O)(=O)N1CC[C@@H]2NC(=O)CC[C@@H]2C1	160706970	WSUYVIFRYVBRBM-MNOVXSKESA-N	318.395	-0.130	70	20	DBID	
COCC[C@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(=O)O	1606857211	UYBRLBDRQAKCGA-ZETCQYMHSA-N	308.287	-0.108	70	20	DBID	
C[C@@H](C(N)=O)N(C)CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1753063963	FVPAJLZQHZSISP-ZETCQYMHSA-N	320.346	-0.792	70	20	DBID	
Cc1nc(S(=O)(=O)NC[C@H](O)COCC2CC2)cn1C	160692872	RXAFATMWXSETGJ-NSHDSACASA-N	303.384	-0.206	70	20	DBID	
Cc1ccc(N2CC[C@@H](NC(=O)[C@H]3C[C@H](O)CN3)C2=O)cc1	160925825	DRNXVKDQZGERRM-BFHYXJOUSA-N	303.362	-0.061	70	20	DBID	
O=C(NCCNCCOCCO)c1cc(S(=O)(=O)F)c[nH]1	1133976318	LTTXBQWYABWYBH-UHFFFAOYSA-N	323.346	-0.999	70	20	DBID	
O=C(CN1C(=O)CCC1=O)N[C@@H]1CCN(c2ccccn2)C1	218081381	JALFOEPBGDOFII-LLVKDONJSA-N	302.334	-0.075	70	20	DBID	
O=C(NC[C@H]1CCN(CCO)C1)c1cc(S(=O)(=O)F)c[nH]1	1028809123	RQLQQWUMGRPJAY-SECBINFHSA-N	319.358	-0.283	70	20	DBID	
C[C@H](O)CN1CC(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1030972317	XBILWMZOYROTQD-ZETCQYMHSA-N	305.331	-0.532	70	20	DBID	
Cn1cc([C@]2(C)NC(=O)N(CCS(=O)(=O)F)C2=O)cn1	883953342	ROWIJOHATWCJOH-JTQLQIEISA-N	304.303	-0.514	70	20	DBID	
CS(=O)(=O)CC[C@H](N)C(=O)N[C@H]1CCN2CCCC[C@@H]12	217807712	TYNTURLIHRUNIK-SRVKXCTJSA-N	303.428	-0.509	70	20	DBID	
Nc1nc(N)nc(CN2CCN(Cc3ccncc3)CC2)n1	161205178	PCVQORFYRQBEBL-UHFFFAOYSA-N	300.370	-0.251	70	20	DBID	
C[C@H](O)CN1CC[C@@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1038710950	RWYQQFIBFCSTOR-DTWKUNHWSA-N	319.358	-0.142	70	20	DBID	
C[C@@H]1CS(=O)(=O)CCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1	1263760346	AQWQWAANJJGYQI-SSDOTTSWSA-N	324.355	-0.068	70	20	DBID	
NC(=O)c1cnn2c(C(=O)N[C@H]3CCCC[C@@H]3O)ccnc12	159805221	YRFQYMYWSWHQPG-ONGXEEELSA-N	303.322	-0.139	70	20	DBID	
COCCC1(C(=O)NCCN2CCS(=O)(=O)CC2)CC1	160148689	NZDXGWGEZFWJIV-UHFFFAOYSA-N	304.412	-0.350	70	20	DBID	
N#CCN1C[C@@H]2C(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@H]2C1	961788577	LKTNYCFOPZYYTC-IUCAKERBSA-N	312.326	-0.144	70	20	DBID	
CCNC(=O)CN1CCN(CCCS(=O)(=O)C(C)C)CC1	160736713	SXMCVUJXRVGEOV-UHFFFAOYSA-N	319.471	-0.047	70	20	DBID	
O=C(NC[C@H]1CCO[C@H]1C(=O)O)c1cc(S(=O)(=O)F)c[nH]1	1601524963	USMTVGBYNQGZHP-HZGVNTEJSA-N	320.298	-0.108	70	20	DBID	
CN[C@H]1CCN(C(=O)CCn2[nH]c(=O)c3ccccc3c2=O)C1	160615615	QHLLKQZQDQCOMS-NSHDSACASA-N	316.361	-0.100	70	20	DBID	
N#CCN1C[C@H]2C(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@@H]2C1	961788590	LKTNYCFOPZYYTC-RKDXNWHRSA-N	312.326	-0.144	70	20	DBID	
CCNC(=O)CNS(=O)(=O)c1ccccc1C(=O)OC	218068703	GWCBNBJQHXUHGJ-UHFFFAOYSA-N	300.336	-0.112	70	20	DBID	
CC[C@@H](NCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(N)=O	1133981591	USQZHHSSNKWMQH-MRVPVSSYSA-N	320.346	-0.744	70	20	DBID	
Cc1c(C(=O)NCCCO)cnc2c1c(=O)n(C)c(=O)n2C	161171560	FOBBYKJHJVXFCZ-UHFFFAOYSA-N	306.322	-0.947	70	20	DBID	
COC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1cc(S(=O)(=O)F)c[nH]1	1123820718	WDPFAFGKCSKBRR-HZGVNTEJSA-N	320.298	-0.579	70	20	DBID	
CN1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CCC1=O	1338818670	FDBWVHGYIMAISH-UHFFFAOYSA-N	303.315	-0.023	70	20	DBID	
C[C@@H](CO)CNS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C	159700751	OZIXBNNZKXBERU-SECBINFHSA-N	313.379	-0.216	70	20	DBID	
CC(C)N1C[C@H](NC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)CC1=O	217288649	TYTQFWFYQOWJFG-GHMZBOCLSA-N	317.411	-0.176	70	20	DBID	
CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)c1cnns1	160296546	WFFDGFUUAAWBJC-YUMQZZPRSA-N	304.397	-0.014	70	20	DBID	
CN(C)CCOCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1527976736	IGHJNOXFKPLNBD-UHFFFAOYSA-N	307.347	-0.019	70	20	DBID	
Cn1cc(C(=O)N[C@@H]2CCN(S(=O)(=O)F)C2)ccc1=O	2088603522	JVSGXILGJMXFBV-SECBINFHSA-N	303.315	-0.596	70	20	DBID	
CN(C)C[C@@](C)(O)CNS(=O)(=O)c1cc(Cl)cnc1N	161408837	DXMBDSMGIVZLFW-NSHDSACASA-N	322.818	-0.092	70	20	DBID	
CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CCC[C@@H](CO)C1	218438766	JTHCOAMCFXMAHW-VXGBXAGGSA-N	320.411	-0.037	70	20	DBID	
CN[C@H]1CCN(C(=O)CNC2=NS(=O)(=O)c3ccccc32)C1	160550991	PCTXGZYXQQZFSK-JTQLQIEISA-N	322.390	-0.455	70	20	DBID	
COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(OC)cc1	217339469	LNXLMQUUVYNELP-SKDRFNHKSA-N	315.347	-0.008	70	20	DBID	
C[C@H]1CN(C(=O)Cn2cc(NC(=O)C3(N)CC3)cn2)C[C@@H](C)O1	160708100	NIAFZKHPQHJHDV-PHIMTYICSA-N	321.381	-0.051	70	20	DBID	
CCC(CC)CNC(=O)N1CCN(C(=O)Cn2cnnn2)CC1	160555946	RCZWTTYFLRNMLU-UHFFFAOYSA-N	323.401	-0.037	70	20	DBID	
CC(C)(C)NC(=O)CNC(=O)COn1nnc2ccccc21	160591473	OLVILFCTNHHCFK-UHFFFAOYSA-N	305.338	-0.109	70	20	DBID	
Cn1cc(Br)c(=O)n(CCS(=O)(=O)F)c1=O	883954025	WHSWUOKBYBTLGA-UHFFFAOYSA-N	315.120	-0.391	70	20	DBID	
CCN(CC)C(=O)CN1CCN(C(=O)[C@H]2CCNC(=O)C2)CC1	160204526	SEYBKJPKOYVXKK-ZDUSSCGKSA-N	324.425	-0.475	70	20	DBID	
CC(C)(C)N1C[C@@H](NC(=O)N[C@H]2CCS(=O)(=O)C2)CC1=O	217285894	QKGBUGHSWGWLAV-UWVGGRQHSA-N	317.411	-0.128	70	20	DBID	
CC(C)C[C@@H](CO)NC(=O)c1ccnc2c(C(N)=O)cnn12	160712336	KZAZKBRJBZZWQP-VIFPVBQESA-N	305.338	-0.035	70	20	DBID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC[C@@H](NCCO)C1	969991184	HMFUPYMTYWEMBH-MRVPVSSYSA-N	305.331	-0.531	70	20	DBID	
C[C@H](O)CN1CC[C@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1038710951	RWYQQFIBFCSTOR-IUCAKERBSA-N	319.358	-0.142	70	20	DBID	
C[C@H](O)CN[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1019396938	BFSIDAURKFQKHB-IUCAKERBSA-N	319.358	-0.142	70	20	DBID	
Cc1nn(C)c(C)c1S(=O)(=O)NC[C@@](C)(O)CN(C)C	161504174	QXXGBPUXZONLOW-GFCCVEGCSA-N	304.416	-0.372	70	20	DBID	
NC(=O)C1(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCOCC1	1337491635	OYHJNVQCLBVGOH-UHFFFAOYSA-N	319.314	-0.563	70	20	DBID	
O=C(NC1CC=CC1)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1	161071377	GQUFBHJPOKKWJY-JQWIXIFHSA-N	312.391	-0.143	70	20	DBID	
Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NCCCN	160063412	AZESJUZYNXCNQT-SECBINFHSA-N	317.415	-0.831	70	20	DBID	
NCCN(CCO)C(F)(F)COS(=O)(=O)C(F)(F)F	852746802	QANWJPLFPQLEAU-UHFFFAOYSA-N	316.248	-0.302	70	20	DBID	
CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)c1cnsn1	160362460	JQQVZINORKAPLR-SFYZADRCSA-N	304.397	-0.014	70	20	DBID	
C[C@@H](CO)N(C)C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C	160433559	JBCGJWZVUXPSFS-QMMMGPOBSA-N	306.322	-0.915	70	20	DBID	
C[C@H](CO)N(C)C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C	160433657	JBCGJWZVUXPSFS-MRVPVSSYSA-N	306.322	-0.915	70	20	DBID	
O=C(N[C@H]1CCCN(CCO)C1)c1cc(S(=O)(=O)F)c[nH]1	1008546695	KWBMBVZQNQBXLF-VIFPVBQESA-N	319.358	-0.141	70	20	DBID	
O=C1CC[C@@H]2CN(C(=O)C[C@@H]3CCS(=O)(=O)C3)CC[C@@H]2N1	160691117	FDULMXUVSKWSQE-TUAOUCFPSA-N	314.407	-0.062	70	20	DBID	
Cn1cc(N2CCC[C@@H](N3CCO[C@H](C(N)=O)C3)C2=O)cn1	159903615	NXAIJQBGTCUICS-NEPJUHHUSA-N	307.354	-0.898	70	20	DBID	
C[C@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(=O)NCCF	1349532663	MVUQSGXYDSWIFQ-LURJTMIESA-N	309.294	-0.123	70	20	DBID	
CC(=O)N1CC[C@@H](NC(=O)Cn2nnc3ccccc3c2=O)C1	159698190	XXXOULQQUVMGET-LLVKDONJSA-N	315.333	-0.472	70	20	DBID	
CC(=O)N1C[C@H]2C(NC(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@@H]2C1	1013807400	NQDNVRHAXNPLOU-RKDXNWHRSA-N	315.326	-0.121	70	20	DBID	
O=C(N[C@H]1C[C@H](NCCO)C1)c1cc(S(=O)(=O)F)c[nH]1	1020599063	IXQZHCXZMTUUST-ZKCHVHJHSA-N	305.331	-0.484	70	20	DBID	
CCn1cc(S(=O)(=O)N2CCN(CC(C)(C)O)CC2)cn1	160830633	VJCHWAZYKOPPEA-UHFFFAOYSA-N	316.427	-0.020	70	20	DBID	
O=C1CN(C(=O)CN2CCC([C@H](O)C(F)(F)F)CC2)CCN1	161249701	VEVWPOGKNLEZFD-LBPRGKRZSA-N	323.315	-0.420	70	20	DBID	
C[C@]1(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCS(=O)(=O)C1	1336413870	RFHNKFAAGKHSCZ-JTQLQIEISA-N	324.355	-0.020	70	20	DBID	
COC(=O)[C@H](O)CNC(=O)c1cccc(S(C)(=O)=O)c1	217711008	WSDRPULINWSMRE-SNVBAGLBSA-N	301.320	-0.646	70	20	DBID	
O=C(O)[C@H]1[C@@H](O)CCCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1	1601755993	AIFITJARAFASJG-DTWKUNHWSA-N	320.298	-0.277	70	20	DBID	
O=C1CC[C@H]2CN(S(=O)(=O)N3CCOCC3)CC[C@@H]2N1	160721710	PMKKDWYSTMILKX-QWRGUYRKSA-N	303.384	-0.836	70	20	DBID	
COC(=O)[C@@H](O)CNC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12	217733196	ABMNYVZWXFFXCV-UBJUHAIHSA-N	302.352	-0.910	70	20	DBID	
COC(=O)C[C@H](O)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1347084763	ZSKKJKLUFAKOOI-LURJTMIESA-N	308.287	-0.673	70	20	DBID	
NC(=O)N1CC[C@@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1351946638	OFZLUMFEFUBRSP-ZETCQYMHSA-N	318.330	-0.197	70	20	DBID	
O=C(N[C@H]1CCO[C@H]1C(=O)O)c1cc(S(=O)(=O)F)c[nH]1	1601570006	KFCMBUMLYKDRMZ-POYBYMJQSA-N	306.271	-0.355	70	20	DBID	
C[C@H](C(N)=O)N(C)CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1753063962	FVPAJLZQHZSISP-SSDOTTSWSA-N	320.346	-0.792	70	20	DBID	
CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)c1cnns1	160296182	WFFDGFUUAAWBJC-HTQZYQBOSA-N	304.397	-0.014	70	20	DBID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC(O)(CO)CC1	1352374613	FGCCZUGFIFRORD-UHFFFAOYSA-N	306.315	-0.368	70	20	DBID	
COC(=O)C1CCN(S(=O)(=O)N(C)[C@H](CN)C2CC2)CC1	159915800	UNWAHEYZQCTBOO-GFCCVEGCSA-N	319.427	-0.215	70	20	DBID	
Cn1c(=O)c2ccc(C(=O)NCC(C)(C)N)nc2n(C)c1=O	160065097	HZAIUYBKLCGODV-UHFFFAOYSA-N	305.338	-0.901	70	20	DBID	
COC(=O)c1cc([N+](=O)[O-])cn(CCS(=O)(=O)F)c1=O	883953351	RTJHSVZLWSADGK-UHFFFAOYSA-N	308.243	-0.158	70	20	DBID	
COC(=O)[C@](C)(O)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1521205209	CTTKVFOHOYFKML-SNVBAGLBSA-N	308.287	-0.673	70	20	DBID	
CCN1C[C@@H](O)[C@@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	958412651	HJGWEKULBKIORG-GZMMTYOYSA-N	319.358	-0.285	70	20	DBID	
NC(=O)CN[C@H]1C[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1020596534	WTTYZLMJJGAJGW-LJGSYFOKSA-N	318.330	-0.991	70	20	DBID	
C[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H](CO)O1	1346929573	RSWSCHJQDKFVJM-JGVFFNPUSA-N	306.315	-0.105	70	20	DBID	
C[C@H]1CO[C@H](CO)CN1C(=O)c1cc(S(=O)(=O)F)c[nH]1	1349235896	XXCBNAGRDRYFBT-YUMQZZPRSA-N	306.315	-0.105	70	20	DBID	
COC(=O)C[C@@H](O)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1347084788	ZSKKJKLUFAKOOI-ZCFIWIBFSA-N	308.287	-0.673	70	20	DBID	
COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1cc(S(=O)(=O)F)c[nH]1	1346929943	WDPFAFGKCSKBRR-MUWHJKNJSA-N	320.298	-0.579	70	20	DBID	
CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)c1cnsn1	160362770	JQQVZINORKAPLR-YUMQZZPRSA-N	304.397	-0.014	70	20	DBID	
CCCc1c(C(=O)NC2CN(S(=O)(=O)F)C2)nnn1C	2088606419	JRUROLQRZAAMAE-UHFFFAOYSA-N	305.335	-0.604	70	20	DBID	
C[C@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)S(C)(=O)=O	1263852008	BRFPFUPIWUPHQO-ZCFIWIBFSA-N	312.344	-0.164	70	20	DBID	
CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CN(CC#N)C1	1043895219	CVNXKGQKWUHIRQ-UHFFFAOYSA-N	300.315	-0.047	70	20	DBID	
O=C(Cn1cnc2ccccc2c1=O)N1CC[C@@H](CO)[C@H](O)C1	216864338	AOXUICRMNGHSGS-SMDDNHRTSA-N	317.345	-0.402	70	20	DBID	
COC(=O)[C@H](O)CNC(=O)[C@@H](C)NC(=O)c1cccs1	217703172	DTSHUBCDWNHPNZ-HTQZYQBOSA-N	300.336	-0.484	70	20	DBID	
C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@@H](C(=O)O)O1	1607434982	NKVOBEAHYKHLSI-MUWHJKNJSA-N	320.298	-0.013	70	20	DBID	
CCOC(=O)[C@H](CO)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1521206841	RDGBXCDTLVLNEX-QMMMGPOBSA-N	308.287	-0.673	70	20	DBID	
CC(C)(C(=O)N1CC[C@H]2NC(=O)CC[C@@H]2C1)S(C)(=O)=O	160679896	UKLMTIPUWFCIEF-NXEZZACHSA-N	302.396	-0.063	70	20	DBID	
O=C(N[C@H]1CCCS(=O)(=O)C1)c1cc(S(=O)(=O)F)c[nH]1	1123525341	ZNZFVDZJIVWOAU-ZETCQYMHSA-N	324.355	-0.020	70	20	DBID	
NC(=O)N[C@H]1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1123647603	AXJNQCMYJCMMER-LURJTMIESA-N	304.303	-0.444	70	20	DBID	
O=C1CC[C@@H]2CN(S(=O)(=O)N3CCOCC3)CC[C@H]2N1	160722116	PMKKDWYSTMILKX-GHMZBOCLSA-N	303.384	-0.836	70	20	DBID	
Cc1c(C(=O)N[C@H](C)CO)cnc2c1c(=O)n(C)c(=O)n2C	161185743	JWEMXDXCSHPGSQ-SSDOTTSWSA-N	306.322	-0.949	70	20	DBID	
C[C@@H]1CN(S(=O)(=O)C2CCS(=O)(=O)CC2)CC[C@@H]1O	159378466	VFCQDKHIJHINOL-KOLCDFICSA-N	311.425	-0.404	70	20	DBID	
COC(=O)[C@@]1(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCOC1	1340081925	JDHGGPOBLFTOFW-LLVKDONJSA-N	320.298	-0.265	70	20	DBID	
O=C(NC[C@H]1CCN1CCO)c1cc(S(=O)(=O)F)c[nH]1	1038707395	FCEYEPHUGAVKFY-MRVPVSSYSA-N	305.331	-0.531	70	20	DBID	
O=C(C[C@H]1CCCN1)Nc1cnn(CC(=O)N2CCOCC2)c1	160720199	ZYBZJDNZABZIIC-GFCCVEGCSA-N	321.381	-0.178	70	20	DBID	
O=C(NC1(CO)CCOCC1)c1cc(S(=O)(=O)F)c[nH]1	1346641831	LGQATPLUPSVJSE-UHFFFAOYSA-N	306.315	-0.056	70	20	DBID	
C[C@H]1CN(C)C(=O)CN1C(=O)c1cc(S(=O)(=O)F)c[nH]1	1338986081	WKWCZACYSSNEON-ZETCQYMHSA-N	303.315	-0.024	70	20	DBID	
O=C(NC[C@H]1CCN1CCCO)c1cc(S(=O)(=O)F)c[nH]1	1038709809	HPXMTVYQAPXUAZ-SECBINFHSA-N	319.358	-0.141	70	20	DBID	
COCC[C@H](NC(=O)c1cccc(S(=O)(=O)F)c1)C(N)=O	1262732285	BKBFASGFXIMJOS-JTQLQIEISA-N	318.326	-0.035	70	20	DBID	
CCCN[C@@H](CO)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1755639557	SHVRTXJLWKYFIG-MRVPVSSYSA-N	307.347	-0.237	70	20	DBID	
CCOC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)OC(C)(C)C	218103928	MXTJTNADQRRQPH-RKDXNWHRSA-N	304.343	-0.060	70	20	DBID	
CC(C)COC[C@H](O)CNC(=O)Cn1nc2ccccn2c1=O	159396255	ZMSSKAONLSDQRD-GFCCVEGCSA-N	322.365	-0.354	70	20	DBID	
CN[C@@H]1CCN(C(=O)CNC2=NS(=O)(=O)c3ccccc32)C1	160550862	PCTXGZYXQQZFSK-SNVBAGLBSA-N	322.390	-0.455	70	20	DBID	
CN(C)C[C@@](C)(O)CNS(=O)(=O)c1cn(C)c(Cl)n1	161498758	AMDDSQLGSPNXDH-JTQLQIEISA-N	310.807	-0.336	70	20	DBID	
CN(CCS(C)(=O)=O)[C@H]1CCCN(c2cnn(C)c2)C1=O	160433260	ZOSPDHFLZSNKKJ-LBPRGKRZSA-N	314.411	-0.108	70	20	DBID	
Cn1cc(/C=C/C(=O)NCC2(N)CCCCC2)c(=O)n(C)c1=O	159660101	IRYJHVYWSCYOMM-VOTSOKGWSA-N	320.393	-0.125	70	20	DBID	
CN(CCNS(=O)(=O)c1cnn(C)c1)C[C@@H]1CCC[C@@H]1O	159637375	BUURGWMNUCGKOH-AAEUAGOBSA-N	316.427	-0.209	70	20	DBID	
CN([C@H](CN)C1CC1)S(=O)(=O)c1cc(C(N)=O)n(C)c1	159914963	IYLASEJKKICIQP-LLVKDONJSA-N	300.384	-0.518	70	20	DBID	
O=C(NC[C@H]1CCS(=O)(=O)C1)c1cc(S(=O)(=O)F)c[nH]1	1346040166	BJUAZRVZUNHGFP-SSDOTTSWSA-N	324.355	-0.163	70	20	DBID	
Cc1nc(S(=O)(=O)NC[C@@H](C)CN2CCOCC2)cn1C	160361718	PZSMQITYRRPSCA-LLVKDONJSA-N	316.427	-0.025	70	20	DBID	
O=C(CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)NCC1CC1	1340081488	CLNKSJWUVMSLMY-UHFFFAOYSA-N	303.315	-0.071	70	20	DBID	
CN(C)c1nc(CN2CCN(S(C)(=O)=O)CC2)ns1	161464811	VMXBUXQJZFEPJP-UHFFFAOYSA-N	305.429	-0.319	70	20	DBID	
CC(C)N1C[C@H](NC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1=O	217288634	ONNRTZXEDFQYFT-NXEZZACHSA-N	303.384	-0.518	70	20	DBID	
COC(=O)[C@]1(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCOC1	1340081926	JDHGGPOBLFTOFW-NSHDSACASA-N	320.298	-0.265	70	20	DBID	
O=C(NCCS(=O)(=O)NCC1CCC1)[C@H]1CCCNC1	159672237	PAHQZWXZQKOCOW-LBPRGKRZSA-N	303.428	-0.178	70	20	DBID	
CCn1cc(S(=O)(=O)NC[C@@H](O)COCC2CC2)cn1	160697389	AUMPZUBZYTWYNN-LLVKDONJSA-N	303.384	-0.031	70	20	DBID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCN(C2CNC2)CC1	1580811714	HKIBGYVNPUZSGB-UHFFFAOYSA-N	316.358	-0.598	70	20	DBID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC[C@H](CO)[C@@H](O)C1	1349233573	GMKRUWMBXLQRRP-XCBNKYQSSA-N	306.315	-0.512	70	20	DBID	
Cn1nnc(C(=O)NC2CN(S(=O)(=O)F)C2)c1C(F)F	2088602838	DTVURVOVXRLJOS-UHFFFAOYSA-N	313.261	-0.619	70	20	DBID	
COC(=O)CCN(C)S(=O)(=O)NC[C@@H](C)N1CCCC1	160873735	KDRHVMQYKOFABZ-LLVKDONJSA-N	307.416	-0.200	70	20	DBID	
COCCN1C[C@H](C(=O)NC[C@@](C)(O)CSC)CC1=O	217661091	AYOCRMXDQYNMCL-ZWNOBZJWSA-N	304.412	-0.289	70	20	DBID	
C[C@H]1CCNC(=O)[C@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1337485849	IWZLWNZAEVHNGU-RCOVLWMOSA-N	303.315	-0.073	70	20	DBID	
O=C(c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1)N1CCNCC1	159429145	GJNCIBSKUCVDOO-UHFFFAOYSA-N	315.333	-0.535	70	20	DBID	
Cn1nccc1C(=O)NC[C@@H]1CCC[C@H]1NS(C)(=O)=O	160502666	HOIBJDZEQDSOFQ-VHSXEESVSA-N	300.384	-0.132	70	20	DBID	
CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CCC[C@@H](CN)C1	217539154	UNXVZAWHFPAYBX-NWDGAFQWSA-N	319.427	-0.071	70	20	DBID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCC[C@@H]1CNCCO	1716784924	NRRBQJINTFWOEL-SECBINFHSA-N	319.358	-0.141	70	20	DBID	
COC(=O)Cn1cc(CCn2nc3ccccn3c2=O)nn1	159572580	DHYIEBAFRPIQCK-UHFFFAOYSA-N	302.294	-0.497	70	20	DBID	
C[C@H]1C(=O)N(C)CCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1	1340624008	FVMKHWMEKPAVFC-ZETCQYMHSA-N	303.315	-0.024	70	20	DBID	
C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CCNCC1	159381727	JUDQMAUCASGRPY-SNVBAGLBSA-N	322.390	-0.455	70	20	DBID	
O=C(CN1C(=O)CCC1=O)N[C@H]1CCN(c2ccccn2)C1	218081298	JALFOEPBGDOFII-NSHDSACASA-N	302.334	-0.075	70	20	DBID	
O=C(O)[C@H]1COCCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1	1608647490	WIHKXCIHSBILSF-MRVPVSSYSA-N	306.271	-0.402	70	20	DBID	
CSC[C@](C)(O)CNC(=O)[C@H]1CCCN1S(C)(=O)=O	217672521	QQDLFGAIFOVBMM-MWLCHTKSSA-N	310.441	-0.359	70	20	DBID	
O=C(NC[C@H](O)CNCC1CC1)c1cc(S(=O)(=O)F)c[nH]1	1753927541	MAASHXAZAZZTLP-SECBINFHSA-N	319.358	-0.237	70	20	DBID	
Cn1cc(C(=O)NC[C@@H]2CCC[C@H]2NS(C)(=O)=O)cn1	160580418	DOJFFYSNRYYMMA-GXSJLCMTSA-N	300.384	-0.132	70	20	DBID	
O=C(O)[C@@H]1[C@@H](O)CCCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1	1601755997	AIFITJARAFASJG-IUCAKERBSA-N	320.298	-0.277	70	20	DBID	
CN(CC(=O)N[C@@H](CO)Cc1ccccc1)S(C)(=O)=O	159968337	RYUQLNJCTVURGH-GFCCVEGCSA-N	300.380	-0.402	70	20	DBID	
CS(=O)(=O)N1CCC[C@@H]1CNC(=O)c1ccc2nncn2c1	160561481	MZJVLYOMTGUMNQ-LLVKDONJSA-N	323.378	-0.117	70	20	DBID	
C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@H](N)C1	160244420	QASRUNHRUIAFLV-NXEZZACHSA-N	322.390	-0.327	70	20	DBID	
Cc1nn(C)c2ncc(S(=O)(=O)N[C@@H]3CCN(C)C3=O)cc12	160469312	KFLIIIZERMGUBX-LLVKDONJSA-N	323.378	-0.214	70	20	DBID	
O=C(N[C@@H]1CCN(S(=O)(=O)F)C1)c1cnnn1C1CC1	2088603918	ZDGUZIXYRJWXFY-SSDOTTSWSA-N	303.319	-0.369	70	20	DBID	
COCCNC(=O)Cn1cc(NC(=O)C[C@@H]2CCCN2)cn1	160715615	FEJMNEMQOJUJCQ-NSHDSACASA-N	309.370	-0.274	70	20	DBID	
COC[C@@H](O)CCNC(=O)Cn1c(=O)n(C)c2ccccc21	161443084	USBCXGKGENTOQH-NSHDSACASA-N	307.350	-0.146	70	20	DBID	
O=C(CN1CCOCC1)N1CCN(CCn2ccnc2)CC1	159693083	WEAWHLVLRMUVLR-UHFFFAOYSA-N	307.398	-0.641	70	20	DBID	
COCCNC(=O)Cn1cc(NC(=O)[C@@H]2CCCCN2)cn1	160714020	KTBWJNLIJLELLN-LBPRGKRZSA-N	309.370	-0.274	70	20	DBID	
O=C(C[C@@H]1CCCN1)Nc1cnn(CC(=O)N2CCOCC2)c1	160720071	ZYBZJDNZABZIIC-LBPRGKRZSA-N	321.381	-0.178	70	20	DBID	
COCC[C@@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(=O)O	1606857210	UYBRLBDRQAKCGA-SSDOTTSWSA-N	308.287	-0.108	70	20	DBID	
C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N(C)C[C@H](O)C1CC1	160783683	PYPAJSLMKNWVER-RTXFEEFZSA-N	318.439	-0.277	70	20	DBID	
COCCN1C[C@H](C(=O)NC[C@](C)(O)CSC)CC1=O	217661257	AYOCRMXDQYNMCL-MFKMUULPSA-N	304.412	-0.289	70	20	DBID	
CC(=O)N1C[C@H]2[C@H](NC(=O)c3cc(S(=O)(=O)F)c[nH]3)[C@H]2C1	977208266	NQDNVRHAXNPLOU-JZYVYDRUSA-N	315.326	-0.121	70	20	DBID	
O=C(NCC1CC(NCCO)C1)c1cc(S(=O)(=O)F)c[nH]1	1091236293	TYHVZFCYKIBRGD-UHFFFAOYSA-N	319.358	-0.237	70	20	DBID	
Cc1cc(C(=O)NNC(=O)c2cc(S(=O)(=O)F)c[nH]2)n[nH]1	1521207316	URGWAAKYTIHXEL-UHFFFAOYSA-N	315.286	-0.221	70	20	DBID	
Cn1cc([C@]2(C)CN(C[C@H](O)CN3CCOCC3)CCO2)cn1	159402353	KJHBNLPBGKODOP-CVEARBPZSA-N	324.425	-0.339	70	20	DBID	
CNC(=O)CNC[C@@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1754242271	MEJDXBMOWWVVIC-SSDOTTSWSA-N	320.346	-0.873	70	20	DBID	
COCCNC(=O)Cn1cc(NC(=O)[C@H](N)CC(C)C)cn1	160713055	WFDVBFRHKSBDSI-GFCCVEGCSA-N	311.386	-0.042	70	20	DBID	
CCC[C@H](O)[C@@H](CO)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1347341146	YFLIWRIZVWPOKD-ZJUUUORDSA-N	308.331	-0.075	70	20	DBID	
CN1CCN(C(=O)CN2CCN(Cc3ccncc3)CC2)CC1	161188949	PTKCTEAMNYXOIA-UHFFFAOYSA-N	317.437	-0.027	70	20	DBID	
Cc1cc(C(=O)N2CCN(CC(=O)NC3CC3)CC2)ncn1	161281734	XVYWVACYTDFHRF-UHFFFAOYSA-N	303.366	-0.179	70	20	DBID	
CCS(=O)(=O)C1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1351947029	UDYBYZXOKJXLMV-UHFFFAOYSA-N	324.355	-0.068	70	20	DBID	
C[C@@H](CNS(=O)(=O)C[C@H]1CCOC1)CN1CCOCC1	160376635	LLIJZEWIJYDWBR-STQMWFEESA-N	306.428	-0.089	70	20	DBID	
C[C@@H](O)CN1CC[C@H]1CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1038710949	RWYQQFIBFCSTOR-BDAKNGLRSA-N	319.358	-0.142	70	20	DBID	
CCS(=O)(=O)CCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1348707483	MZSJDKKBMHSSRR-UHFFFAOYSA-N	312.344	-0.163	70	20	DBID	
Cn1c(=O)ccn(CC(=O)NCCc2cccc(O)c2)c1=O	160175340	TUVJRBBVAGPOHU-UHFFFAOYSA-N	303.318	-0.389	70	20	DBID	
CN(C)C[C@](C)(O)CNS(=O)(=O)c1cc(Cl)cnc1N	161408745	DXMBDSMGIVZLFW-LLVKDONJSA-N	322.818	-0.092	70	20	DBID	
COC[C@H](O)CCNC(=O)Cn1nnc(-c2ccccc2)n1	161508695	KHHJTVGAEVHQRY-GFCCVEGCSA-N	305.338	-0.146	70	20	DBID	
CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCC[C@@H](CO)C1	218438675	JTHCOAMCFXMAHW-NEPJUHHUSA-N	320.411	-0.037	70	20	DBID	
CNC(=O)CNCCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1166871612	LJBOKXYGWGDPLZ-UHFFFAOYSA-N	320.346	-0.872	70	20	DBID	
C[C@@H](CNC(=O)c1cc(S(=O)(=O)F)c[nH]1)S(C)(=O)=O	1263852007	BRFPFUPIWUPHQO-LURJTMIESA-N	312.344	-0.164	70	20	DBID	
C[C@H](CCO)CNC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1	161040009	RXTJWACHXRKFEG-SECBINFHSA-N	320.349	-0.620	70	20	DBID	
CS(=O)(=O)c1nn(CCS(=O)(=O)F)nc1C(F)F	883953934	QZLPMYVMECSHNJ-UHFFFAOYSA-N	307.275	-0.082	70	20	DBID	
O=C1CN(C(=O)CN2CCC([C@@H](O)C(F)(F)F)CC2)CCN1	161249796	VEVWPOGKNLEZFD-GFCCVEGCSA-N	323.315	-0.420	70	20	DBID	
COC(=O)[C@H](O)CNC(=O)CCNC(=O)c1ccsc1	217682044	MSQYUZLIDSTZHS-SECBINFHSA-N	300.336	-0.482	70	20	DBID	
CC(=O)N1CC[C@H](NC(=O)CCn2nc3ccccn3c2=O)C1	159740704	NSQMJNNTZVDIHZ-LBPRGKRZSA-N	317.349	-0.377	70	20	DBID	
CSC[C@](C)(O)CNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1	217670928	WFYITNIKHVOCJQ-CMPLNLGQSA-N	324.468	-0.112	70	20	DBID	
CCN1C[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)[C@@H](O)C1	958412653	HJGWEKULBKIORG-KWQFWETISA-N	319.358	-0.285	70	20	DBID	
O=C1CN(C(=O)[C@@H]2C[C@H](O)CN2)CCN1Cc1cccc(F)c1	161007880	MFKOZQVEBYLNIO-KBPBESRZSA-N	321.352	-0.281	70	20	DBID	
O=C(NC1CC=CC1)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1	161070996	GQUFBHJPOKKWJY-ZYHUDNBSSA-N	312.391	-0.143	70	20	DBID	
Cc1ccc(N2CC[C@H](NC(=O)[C@H]3C[C@H](O)CN3)C2=O)cc1	160925711	DRNXVKDQZGERRM-MELADBBJSA-N	303.362	-0.061	70	20	DBID	
CCC[C@H](O)[C@H](CO)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1347341144	YFLIWRIZVWPOKD-UWVGGRQHSA-N	308.331	-0.075	70	20	DBID	
CC(C)(C)N1C[C@@H](NC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1=O	217285890	QKGBUGHSWGWLAV-ZJUUUORDSA-N	317.411	-0.128	70	20	DBID	
O=C(Cn1cnnn1)NC1CCN([C@H]2CCCC[C@H]2O)CC1	160725613	DAYJHPVIXGYYHV-QWHCGFSZSA-N	308.386	-0.443	70	20	DBID	
CCOC(=O)[C@](C)(O)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1123744064	VBXRTKMJNRHSPP-LLVKDONJSA-N	322.314	-0.283	70	20	DBID	
COC[C@@H](O)CNC(=O)Cn1cnc2c(C)cccc2c1=O	159491229	UTEZIUOUFCMBTI-NSHDSACASA-N	305.334	-0.172	70	20	DBID	
O=C(NC[C@@H](O)Cn1ccnn1)c1cc(S(=O)(=O)F)c[nH]1	1123728637	XZKVUGRBNMHQND-SSDOTTSWSA-N	317.302	-0.945	70	20	DBID	
O=C1CC[C@@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)C3)CC[C@H]2N1	160677557	QFDTVWQZZPZYTK-GMTAPVOTSA-N	300.380	-0.452	70	20	DBID	
C[C@@H]1CCNC(=O)[C@@H]1NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1337485846	IWZLWNZAEVHNGU-HZGVNTEJSA-N	303.315	-0.073	70	20	DBID	
C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N(C)C[C@H](O)C1CC1	160783911	PYPAJSLMKNWVER-WXHSDQCUSA-N	318.439	-0.277	70	20	DBID	
COCC[C@@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(N)=O	1120944774	YHGXZIXRQMIBHL-SSDOTTSWSA-N	307.303	-0.707	70	20	DBID	
COC(=O)Cn1cc(CCN2CCNC(=O)[C@H]2C(C)C)nn1	160115352	XIMGKFVGTMXFFJ-CYBMUJFWSA-N	309.370	-0.550	70	20	DBID	
CCOC(=O)[C@H]1CCCN(S(=O)(=O)N2CCC[C@@H](N)C2)C1	217838318	FOCHUYDUGPTKOY-NWDGAFQWSA-N	319.427	-0.071	70	20	DBID	
Cn1cc([C@H](CO)NC(=O)c2cc(S(=O)(=O)F)c[nH]2)cn1	1521207565	ZUFGRDHMMNWGHZ-JTQLQIEISA-N	316.314	-0.130	70	20	DBID	
COC[C@@H](O)CCNC(=O)CCn1nc2ccccn2c1=O	161061259	ZLAJSHVMMDQZOF-NSHDSACASA-N	308.338	-0.600	70	20	DBID	
O=C(N[C@@H]1CCN(CCCO)C1)c1cc(S(=O)(=O)F)c[nH]1	1015716414	UGPQIUZBLKARBE-SECBINFHSA-N	319.358	-0.141	70	20	DBID	
CC(C)N1C[C@H](O)[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1083785975	DBHUUQYWLVKKEK-MNOVXSKESA-N	319.358	-0.144	70	20	DBID	
C[C@@H](O)CN1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1015716612	ZIMYXHZFMHTMAS-BDAKNGLRSA-N	319.358	-0.142	70	20	DBID	
C[C@H](O)CN1CCN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1	950561736	JQEHBJUHFYJAIW-VIFPVBQESA-N	319.358	-0.189	70	20	DBID	
CN1C(=O)C[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1=O	1520005863	AEFWRIPZLCTBGS-SSDOTTSWSA-N	303.271	-0.840	70	20	DBID	
Cn1cc(S(=O)(=O)NCC2(CO)CCCC2)cc1C(N)=O	160343863	BGIPENQEGXJSNJ-UHFFFAOYSA-N	315.395	-0.045	70	20	DBID	
CN1C(=O)CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)CC1=O	1348404409	FYSYIDXNKHAVKH-UHFFFAOYSA-N	303.271	-0.886	70	20	DBID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC(N2CCOCC2)C1	1520264307	KQYIPAMIRMXUGY-UHFFFAOYSA-N	317.342	-0.171	70	20	DBID	
C[C@@H]1C[C@@H](NCCO)CN1C(=O)c1cc(S(=O)(=O)F)c[nH]1	989454080	QGCKELWBPLTQDP-RKDXNWHRSA-N	319.358	-0.142	70	20	DBID	
Cc1cc(N[C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)nn1C	159611216	DWXQPOSADGVHIW-MRVPVSSYSA-N	320.353	-0.609	70	20	DBID	
CC(=O)NCC(=O)NCC(=O)N1CCc2c(F)cccc2C1	161092930	BZQIXOQHUBQPFW-UHFFFAOYSA-N	307.325	-0.037	70	20	DBID	
COC(=O)CCNC(=O)CN1CCN(Cc2ccncc2)CC1	161214199	JNHHWYXRHUVXNQ-UHFFFAOYSA-N	320.393	-0.122	70	20	DBID	
Cc1n[nH]c(C)c1CC(=O)N1CCN(S(=O)(=O)F)CC1	1974001182	OMCDAZXSILBFET-UHFFFAOYSA-N	304.347	-0.072	70	20	DBID	
CCN(C(=O)CN1CCC[C@@H](CN)C1)[C@@H]1CCS(=O)(=O)C1	217549342	KEZGAVVILDNCCP-QWHCGFSZSA-N	317.455	-0.307	70	20	DBID	
CN(CCNS(=O)(=O)c1cnn(C)c1)C[C@H]1CCC[C@@H]1O	159637517	BUURGWMNUCGKOH-YPMHNXCESA-N	316.427	-0.209	70	20	DBID	
C[C@@H]1[C@@H](NCCO)CCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1	986985808	OAJUNMAHNNDEAW-SCZZXKLOSA-N	319.358	-0.142	70	20	DBID	
C[C@]1(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCN(CCO)C1	1046626604	AWVKHQSQMJWGDL-LBPRGKRZSA-N	319.358	-0.141	70	20	DBID	
CN(C)C(=O)c1cc(NC(=O)CN2CCNCC2=O)ccc1F	160360591	GXCCWZOEQWIULZ-UHFFFAOYSA-N	322.340	-0.102	70	20	DBID	
C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC[C@H]1CN	160365249	WASLSZQIDDNMHS-ZJUUUORDSA-N	315.399	-0.963	70	20	DBID	
NC(=O)[C@H]1CC[C@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)O1	1123741536	AGWYZKSUSZUWOP-HZGVNTEJSA-N	319.314	-0.564	70	20	DBID	
Cn1nccc1C(=O)NC[C@@H]1CCC[C@@H]1NS(C)(=O)=O	160502415	HOIBJDZEQDSOFQ-UWVGGRQHSA-N	300.384	-0.132	70	20	DBID	
CN1CCO[C@H]2CN(C(=O)CNC(=O)c3ccccc3)C[C@@H]21	159703446	SKQSKWDRPFWNBR-KBPBESRZSA-N	303.362	-0.042	70	20	DBID	
O=C(NCCN1CCOCC1)c1cc(S(=O)(=O)F)c[nH]1	1518678535	KETNGOBGUOBTSE-UHFFFAOYSA-N	305.331	-0.265	70	20	DBID	
CC(C)CN(CC(N)=O)C(=O)Cn1nc2ccccn2c1=O	159740365	LWOGJRZVUJYJNB-UHFFFAOYSA-N	305.338	-0.534	70	20	DBID	
O=C(CN1CCNCC1=O)Nc1cnn(CC(F)(F)F)c1	159703443	AKYNLFOVSJTTNP-UHFFFAOYSA-N	305.260	-0.184	70	20	DBID	
CN1CCO[C@@H]2CN(C(=O)CNC(=O)NCc3ccco3)C[C@@H]21	159727965	CFIMJEVWVFSYQB-QWHCGFSZSA-N	322.365	-0.380	70	20	DBID	
NS(=O)(=O)CCN1CCN(CCCN2CCCCC2)CC1	161437213	WWOPBAHNMJFWMC-UHFFFAOYSA-N	318.487	-0.232	70	20	DBID	
O=C(NCCCN1C(=O)CNC1=O)[C@@H]1Cc2ccccc2CN1	159389100	NJKLWFVQKZYGGL-ZDUSSCGKSA-N	316.361	-0.241	70	20	DBID	
CCC[C@@H](O)[C@H](CO)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1347341145	YFLIWRIZVWPOKD-VHSXEESVSA-N	308.331	-0.075	70	20	DBID	
CC(=O)N[C@H]1[C@@H]2CN(C(=O)c3cc(S(=O)(=O)F)c[nH]3)C[C@@H]21	976021322	VDAKBRJEHQCODM-JZYVYDRUSA-N	315.326	-0.121	70	20	DBID	
O=C(O)[C@H]1[C@H](O)CCCN1C(=O)c1cc(S(=O)(=O)F)c[nH]1	1601756001	AIFITJARAFASJG-RKDXNWHRSA-N	320.298	-0.277	70	20	DBID	
O=C1CC[C@@H]2CN(S(=O)(=O)CC3CCNCC3)CC[C@H]2N1	160448533	XQVJYGWURNTNRD-CHWSQXEVSA-N	315.439	-0.084	70	20	DBID	
C[C@@H](CCO)CNC(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1	161039874	RXTJWACHXRKFEG-VIFPVBQESA-N	320.349	-0.620	70	20	DBID	
Cn1ncc2c(=O)n(CC(=O)N3C[C@@H]4CCC[C@H](C3)N4)cnc21	160512939	JDVMCLFLGGAMLR-PHIMTYICSA-N	316.365	-0.517	70	20	DBID	
Cn1cc([C@H](O)CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)cn1	1123744382	WEBFUCGZTWTFHH-SNVBAGLBSA-N	316.314	-0.130	70	20	DBID	
NC(=O)[C@H]1CC[C@@H](CNC(=O)c2cc(S(=O)(=O)F)c[nH]2)O1	1123741538	AGWYZKSUSZUWOP-IMTBSYHQSA-N	319.314	-0.564	70	20	DBID	
Cc1nn(C)c(C)c1S(=O)(=O)NC[C@](C)(O)CN(C)C	161504056	QXXGBPUXZONLOW-LBPRGKRZSA-N	304.416	-0.372	70	20	DBID	
C#CC[C@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(=O)OC	1521437740	KIHXAFSBJIUAGO-QMMMGPOBSA-N	302.283	-0.032	70	20	DBID	
C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC[C@@H]1CN	160364990	WASLSZQIDDNMHS-NXEZZACHSA-N	315.399	-0.963	70	20	DBID	
CC(C)(C)N1C[C@H](NC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1=O	217285889	QKGBUGHSWGWLAV-NXEZZACHSA-N	317.411	-0.128	70	20	DBID	
O=C(NC1CN(CCCO)C1)c1cc(S(=O)(=O)F)c[nH]1	1030972118	MNNJJDIAWZAIAT-UHFFFAOYSA-N	305.331	-0.531	70	20	DBID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC[C@H](O)[C@@H](CO)C1	1349622041	APYXRMUBDSPQSP-XCBNKYQSSA-N	306.315	-0.512	70	20	DBID	
O=C1C[C@@H](C(=O)N2CCN(CCN3CCCC3)CC2)CCN1	159978277	XWYDZUZNCYPMPS-AWEZNQCLSA-N	308.426	-0.247	70	20	DBID	
COC(=O)[C@@H](CC(C)C)NC(=O)CNC(=O)[C@H](N)C(C)C	217561813	XMNVXXZMXBRARI-ZYHUDNBSSA-N	301.387	-0.210	70	20	DBID	
COCC(=O)N1CCN(CCCS(=O)(=O)C(C)C)CC1	160873721	SBZPRXIWTYOVAI-UHFFFAOYSA-N	306.428	-0.010	70	20	DBID	
NC(=O)N1CC[C@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1346340061	DCOUNCFLXTYRHO-LURJTMIESA-N	304.303	-0.444	70	20	DBID	
COC(=O)CCN(C)S(=O)(=O)NCC1(CO)CCCC1	160057544	UOJZEPZUXRKVOC-UHFFFAOYSA-N	308.400	-0.132	70	20	DBID	
C[C@@H](CS(C)(=O)=O)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1340082746	YOSPWVMWEZPFNA-LURJTMIESA-N	312.344	-0.164	70	20	DBID	
NC(=O)[C@]1(NC(=O)c2cc(S(=O)(=O)F)c[nH]2)CCOC1	1263852346	KPOUJJNCPHKCLT-JTQLQIEISA-N	305.287	-0.953	70	20	DBID	
O=C(N[C@H]1CCN(S(=O)(=O)F)C1)c1cnnn1C1CC1	2088603919	ZDGUZIXYRJWXFY-ZETCQYMHSA-N	303.319	-0.369	70	20	DBID	
NC(=O)N1CC[C@@H](NC(=O)c2cc(S(=O)(=O)F)c[nH]2)C1	1346340063	DCOUNCFLXTYRHO-ZCFIWIBFSA-N	304.303	-0.444	70	20	DBID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CC[C@H](CO)[C@H](O)C1	1349233569	GMKRUWMBXLQRRP-GMSGAONNSA-N	306.315	-0.512	70	20	DBID	
CCN(CCCO)C(=O)CSCC(=O)N1CCOCC1	160507757	FPUSIIRECSXZGA-UHFFFAOYSA-N	304.412	-0.191	70	20	DBID	
COCCNC(=O)Cn1cc(NC(=O)CC2(N)CCC2)cn1	160715906	QOXPZUGHDQHRHG-UHFFFAOYSA-N	309.370	-0.144	70	20	DBID	
O=C(Cn1cnnn1)NC1CCN([C@@H]2CCCC[C@@H]2O)CC1	160725210	DAYJHPVIXGYYHV-OLZOCXBDSA-N	308.386	-0.443	70	20	DBID	
C[C@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C1CN(CCO)C1	970435782	CXZOXPQTXRAWIU-QMMMGPOBSA-N	319.358	-0.285	70	20	DBID	
Cn1nccc1C(=O)NC[C@H]1CCC[C@H]1NS(C)(=O)=O	160502789	HOIBJDZEQDSOFQ-NXEZZACHSA-N	300.384	-0.132	70	20	DBID	
C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N(C)C[C@H](O)C1CC1	160864852	IEFHFADYYGLZPF-USWWRNFRSA-N	304.412	-0.619	70	20	DBID	
COC(=O)[C@@H](O)CNC(=O)c1ccc(S(C)(=O)=O)cc1	217670395	YYPQAODMMQPFQP-JTQLQIEISA-N	301.320	-0.646	70	20	DBID	
O=S(=O)(N[C@H]1CCN(c2ccccn2)C1)N1CCOCC1	159371238	FYFXSFGZPWIUIJ-LBPRGKRZSA-N	312.395	-0.173	70	20	DBID	
O=C(c1cc(S(=O)(=O)F)c[nH]1)N1CCN2CCOC[C@H]2C1	1351579654	VYNRCMFMZKHMGI-SECBINFHSA-N	317.342	-0.171	70	20	DBID	
COC[C@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(=O)OC	1519745384	KZKOSDVYCMJOMJ-QMMMGPOBSA-N	308.287	-0.409	70	20	DBID	
COC(=O)Cn1cc(CCN2CCNC(=O)[C@@H]2C(C)C)nn1	160115455	XIMGKFVGTMXFFJ-ZDUSSCGKSA-N	309.370	-0.550	70	20	DBID