macro_split/ring16/temp.csv at 2e3b52d04944d43b02215a8b804ff436e7f53c0c

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1	IDs	molecule_pref_name	max_pChEMBL	max_pChEMBL_target	# Target Organisms	Target Organisms	# Known Targets	Known Targets	target_pref_name	smiles
2	CHEMBL94657	PATUPILONE	10.67	CHEMBL1075590	695	Sus scrofa, Mus musculus, None, Plasmodium falciparum, Homo sapiens, Rattus norvegicus	695	CHEMBL612519, CHEMBL614129, CHEMBL1075484, CHEMBL1075486, CHEMBL614206, CHEMBL2366102, CHEMBL2366199, CHEMBL2366066, CHEMBL614536, CHEMBL2366353, CHEMBL614487, CHEMBL2366227, CHEMBL2366127, CHEMBL614628, CHEMBL614004, CHEMBL2366145, CHEMBL2366252, CHEMBL2366067, CHEMBL1075405, CHEMBL2366089, CHEMBL2366245, CHEMBL2366347, CHEMBL1075464, CHEMBL613503, CHEMBL2366292, CHEMBL614912, CHEMBL613488, CHEMBL1075511, CHEMBL1075426, CHEMBL1075437, CHEMBL2366248, CHEMBL2366148, CHEMBL1075471, CHEMBL614067, CHEMBL2366078, CHEMBL1075568, CHEMBL2366362, CHEMBL1075554, CHEMBL2366183, CHEMBL2366276, CHEMBL614740, CHEMBL2366287, CHEMBL614860, CHEMBL614489, CHEMBL2366202, CHEMBL614901, CHEMBL2366275, CHEMBL1075401, CHEMBL2366303, CHEMBL613835, CHEMBL613977, CHEMBL613870, CHEMBL2366166, CHEMBL612258, CHEMBL613855, CHEMBL1075509, CHEMBL2366195, CHEMBL612517, CHEMBL1075468, CHEMBL2366357, CHEMBL2366323, CHEMBL1075448, CHEMBL614208, CHEMBL614533, CHEMBL614736, CHEMBL614886, CHEMBL1293231, CHEMBL1075397, CHEMBL2366119, CHEMBL614643, CHEMBL614919, CHEMBL2366236, CHEMBL1075602, CHEMBL1075581, CHEMBL614451, CHEMBL1075407, CHEMBL2366360, CHEMBL1075386, CHEMBL2366309, CHEMBL612588, CHEMBL614917, CHEMBL1075485, CHEMBL1075427, CHEMBL2366296, CHEMBL2366188, CHEMBL1075469, CHEMBL2366082, CHEMBL614187, CHEMBL2366075, CHEMBL614279, CHEMBL1075536, CHEMBL2366262, CHEMBL1075494, CHEMBL394, CHEMBL2366217, CHEMBL1075456, CHEMBL2366274, CHEMBL2366144, CHEMBL614099, CHEMBL1075522, CHEMBL614943, CHEMBL2366372, CHEMBL1075488, CHEMBL2366161, CHEMBL2366368, CHEMBL1075477, CHEMBL1075552, CHEMBL614277, CHEMBL3401, CHEMBL1075472, CHEMBL1075413, CHEMBL1075560, CHEMBL2366354, CHEMBL614317, CHEMBL2366200, CHEMBL1075557, CHEMBL1075580, CHEMBL1075523, CHEMBL1075461, CHEMBL2366174, CHEMBL2366291, CHEMBL1075457, CHEMBL614379, CHEMBL614295, CHEMBL1075462, CHEMBL613505, CHEMBL2366176, CHEMBL615010, CHEMBL614075, CHEMBL2366154, CHEMBL614642, CHEMBL2366298, CHEMBL2366327, CHEMBL612250, CHEMBL1075567, CHEMBL1075594, CHEMBL2366118, CHEMBL1075442, CHEMBL1075412, CHEMBL614247, CHEMBL2366213, CHEMBL2366246, CHEMBL2366331, CHEMBL2366101, CHEMBL1075584, CHEMBL1075576, CHEMBL2366191, CHEMBL2366138, CHEMBL2366304, CHEMBL2366141, CHEMBL613508, CHEMBL612569, CHEMBL1075596, CHEMBL2366137, CHEMBL2366173, CHEMBL2366215, CHEMBL614931, CHEMBL614908, CHEMBL614281, CHEMBL1075553, CHEMBL2366175, CHEMBL2366256, CHEMBL2366232, CHEMBL614135, CHEMBL2366356, CHEMBL614610, CHEMBL2366224, CHEMBL1075565, CHEMBL1075531, CHEMBL614509, CHEMBL385, CHEMBL1075453, CHEMBL614645, CHEMBL614567, CHEMBL2366172, CHEMBL1075430, CHEMBL2366072, CHEMBL2366318, CHEMBL2366182, CHEMBL2366238, CHEMBL614145, CHEMBL2366198, CHEMBL2366310, CHEMBL1075482, CHEMBL614387, CHEMBL2366063, CHEMBL2366371, CHEMBL614197, CHEMBL613858, CHEMBL1075587, CHEMBL2366271, CHEMBL614725, CHEMBL2366228, CHEMBL1075530, CHEMBL2366204, CHEMBL1075563, CHEMBL613300, CHEMBL614213, CHEMBL614561, CHEMBL614529, CHEMBL1075532, CHEMBL614514, CHEMBL613984, CHEMBL612542, CHEMBL2366186, CHEMBL1075432, CHEMBL2366061, CHEMBL2366112, CHEMBL1075400, CHEMBL2366322, CHEMBL614286, CHEMBL2366133, CHEMBL2366207, CHEMBL1075454, CHEMBL2366192, CHEMBL614920, CHEMBL614012, CHEMBL2366074, CHEMBL2366264, CHEMBL1075495, CHEMBL1075601, CHEMBL2366279, CHEMBL613531, CHEMBL384, CHEMBL2366258, CHEMBL2366163, CHEMBL2366348, CHEMBL382, CHEMBL614388, CHEMBL2366179, CHEMBL614826, CHEMBL614347, CHEMBL2366239, CHEMBL2366242, CHEMBL2366283, CHEMBL1075533, CHEMBL1075436, CHEMBL1075590, CHEMBL2366160, CHEMBL1075519, CHEMBL1075496, CHEMBL2366284, CHEMBL2366136, CHEMBL2366098, CHEMBL614590, CHEMBL1075415, CHEMBL614913, CHEMBL1075577, CHEMBL614245, CHEMBL395, CHEMBL1075493, CHEMBL614300, CHEMBL2366317, CHEMBL612555, CHEMBL614516, CHEMBL2366130, CHEMBL2366090, CHEMBL1075518, CHEMBL2366358, CHEMBL1075588, CHEMBL2366335, CHEMBL614343, CHEMBL2366311, CHEMBL2366108, CHEMBL1075450, CHEMBL2366218, CHEMBL1075504, CHEMBL2366316, CHEMBL2366297, CHEMBL614805, CHEMBL2366111, CHEMBL1075562, CHEMBL614905, CHEMBL614923, CHEMBL2366208, CHEMBL613998, CHEMBL1075514, CHEMBL1075478, CHEMBL2366272, CHEMBL2366076, CHEMBL613859, CHEMBL1075490, CHEMBL1075516, CHEMBL1075611, CHEMBL614335, CHEMBL390, CHEMBL614144, CHEMBL1075458, CHEMBL1075607, CHEMBL2366219, CHEMBL1075543, CHEMBL2366135, CHEMBL613997, CHEMBL1075409, CHEMBL2366307, CHEMBL2366099, CHEMBL2366263, CHEMBL2366363, CHEMBL1075513, CHEMBL1075414, CHEMBL614584, CHEMBL2366105, CHEMBL612583, CHEMBL2366110, CHEMBL1075500, CHEMBL2366203, CHEMBL613831, CHEMBL1075410, CHEMBL1075479, CHEMBL1075481, CHEMBL1075406, CHEMBL1075467, CHEMBL2366177, CHEMBL2366097, CHEMBL2366359, CHEMBL2366367, CHEMBL612262, CHEMBL2366189, CHEMBL1075545, CHEMBL614997, CHEMBL2366329, CHEMBL614195, CHEMBL1075421, CHEMBL1075570, CHEMBL2366071, CHEMBL614241, CHEMBL1075561, CHEMBL614517, CHEMBL614334, CHEMBL1075393, CHEMBL2366104, CHEMBL2366184, CHEMBL1075428, CHEMBL1075540, CHEMBL2366205, CHEMBL2366147, CHEMBL3879801, CHEMBL614733, CHEMBL2366302, CHEMBL2366229, CHEMBL614051, CHEMBL612799, CHEMBL2366100, CHEMBL2366096, CHEMBL2366243, CHEMBL2366328, CHEMBL614353, CHEMBL1075583, CHEMBL1075534, CHEMBL2366091, CHEMBL612545, CHEMBL2366293, CHEMBL1075396, CHEMBL1075525, CHEMBL1075487, CHEMBL2366320, CHEMBL2366206, CHEMBL2366073, CHEMBL2366261, CHEMBL2366230, CHEMBL614884, CHEMBL2366365, CHEMBL2366257, CHEMBL612796, CHEMBL1075447, CHEMBL2366313, CHEMBL2366351, CHEMBL613102, CHEMBL1075510, CHEMBL1075399, CHEMBL612701, CHEMBL1075573, CHEMBL1075384, CHEMBL2366370, CHEMBL1075598, CHEMBL2366223, CHEMBL614774, CHEMBL614896, CHEMBL612440, CHEMBL1075591, CHEMBL1075455, CHEMBL1075438, CHEMBL614894, CHEMBL2366250, CHEMBL2366294, CHEMBL614140, CHEMBL614066, CHEMBL383, CHEMBL614056, CHEMBL2366132, CHEMBL1075571, CHEMBL2366146, CHEMBL1075395, CHEMBL2366233, CHEMBL1075418, CHEMBL1075541, CHEMBL2366226, CHEMBL1075491, CHEMBL612570, CHEMBL2366341, CHEMBL614107, CHEMBL1075382, CHEMBL2366143, CHEMBL2366241, CHEMBL2366209, CHEMBL612256, CHEMBL614476, CHEMBL1075404, CHEMBL2366301, CHEMBL2366142, CHEMBL2366070, CHEMBL1075466, CHEMBL2366157, CHEMBL2366295, CHEMBL614534, CHEMBL2366337, CHEMBL1075521, CHEMBL614039, CHEMBL2366181, CHEMBL2366120, CHEMBL2366126, CHEMBL2366253, CHEMBL1075465, CHEMBL2366332, CHEMBL2366247, CHEMBL2366222, CHEMBL1075411, CHEMBL2366315, CHEMBL2366159, CHEMBL2366277, CHEMBL2366225, CHEMBL1075475, CHEMBL1075517, CHEMBL614243, CHEMBL2366216, CHEMBL1075425, CHEMBL2366361, CHEMBL2366346, CHEMBL614177, CHEMBL1075431, CHEMBL1075391, CHEMBL2366299, CHEMBL614925, CHEMBL387, CHEMBL614055, CHEMBL613530, CHEMBL2366114, CHEMBL1075586, CHEMBL2366308, CHEMBL614882, CHEMBL2366306, CHEMBL1075439, CHEMBL1075585, CHEMBL2366094, CHEMBL1075537, CHEMBL2366334, CHEMBL1075463, CHEMBL2366201, CHEMBL614535, CHEMBL2366349, CHEMBL614694, CHEMBL614054, CHEMBL2366254, CHEMBL615023, CHEMBL2366319, CHEMBL2366369, CHEMBL614355, CHEMBL1075429, CHEMBL1075499, CHEMBL2366194, CHEMBL1075505, CHEMBL2366131, CHEMBL1075402, CHEMBL2366185, CHEMBL1075416, CHEMBL1075539, CHEMBL2366156, CHEMBL1075592, CHEMBL1075600, CHEMBL1075524, CHEMBL612565, CHEMBL1075483, CHEMBL2366210, CHEMBL2366125, CHEMBL1075444, CHEMBL2366343, CHEMBL2366121, CHEMBL614580, CHEMBL614940, CHEMBL2366281, CHEMBL1075446, CHEMBL1075435, CHEMBL614352, CHEMBL1075575, CHEMBL1075593, CHEMBL2366106, CHEMBL1075555, CHEMBL2366087, CHEMBL2366149, CHEMBL614660, CHEMBL2366273, CHEMBL1075605, CHEMBL2366153, CHEMBL1075610, CHEMBL2366352, CHEMBL2366355, CHEMBL1075574, CHEMBL613868, CHEMBL2366167, CHEMBL614586, CHEMBL2366286, CHEMBL2366081, CHEMBL613854, CHEMBL2366235, CHEMBL1075460, CHEMBL613860, CHEMBL1075422, CHEMBL1075470, CHEMBL614709, CHEMBL2366214, CHEMBL2366084, CHEMBL400, CHEMBL2366170, CHEMBL2366079, CHEMBL614804, CHEMBL614530, CHEMBL614582, CHEMBL2366187, CHEMBL2366326, CHEMBL612566, CHEMBL2366267, CHEMBL614519, CHEMBL614588, CHEMBL2366069, CHEMBL2366251, CHEMBL614587, CHEMBL2366339, CHEMBL1075387, CHEMBL1075579, CHEMBL1075503, CHEMBL2366333, CHEMBL2366190, CHEMBL1075526, CHEMBL2366231, CHEMBL1075606, CHEMBL2366240, CHEMBL2366155, CHEMBL1075535, CHEMBL2366124, CHEMBL1075434, CHEMBL1075398, CHEMBL2366290, CHEMBL613888, CHEMBL614512, CHEMBL2366278, CHEMBL1075564, CHEMBL2366062, CHEMBL614803, CHEMBL614515, CHEMBL612657, CHEMBL1075423, CHEMBL614581, CHEMBL1075544, CHEMBL612815, CHEMBL613509, CHEMBL614354, CHEMBL1075604, CHEMBL1075498, CHEMBL2366123, CHEMBL1075417, CHEMBL1075502, CHEMBL398, CHEMBL364, CHEMBL396, CHEMBL613889, CHEMBL1075558, CHEMBL2366314, CHEMBL2366330, CHEMBL1075515, CHEMBL2366165, CHEMBL2366086, CHEMBL1075383, CHEMBL1075582, CHEMBL612279, CHEMBL2366211, CHEMBL614096, CHEMBL614036, CHEMBL1075433, CHEMBL1075578, CHEMBL614934, CHEMBL1075445, CHEMBL2366312, CHEMBL1075501, CHEMBL2366366, CHEMBL2366280, CHEMBL614949, CHEMBL2146315, CHEMBL2366077, CHEMBL2366221, CHEMBL2366266, CHEMBL2366342, CHEMBL2366116, CHEMBL2366065, CHEMBL614034, CHEMBL1075546, CHEMBL1075566, CHEMBL2366068, CHEMBL1075441, CHEMBL2366092, CHEMBL614454, CHEMBL1075449, CHEMBL614255, CHEMBL614356, CHEMBL612255, CHEMBL1075542, CHEMBL614721, CHEMBL1075538, CHEMBL2366083, CHEMBL614899, CHEMBL1075408, CHEMBL1075595, CHEMBL2366344, CHEMBL2366220, CHEMBL614801, CHEMBL1075392, CHEMBL1075556, CHEMBL612447, CHEMBL2366340, CHEMBL1075489, CHEMBL2366171, CHEMBL2366109, CHEMBL2366305, CHEMBL1075440, CHEMBL614361, CHEMBL615022, CHEMBL1075497, CHEMBL1075547, CHEMBL1075527, CHEMBL2366268, CHEMBL2366178, CHEMBL614879, CHEMBL2366300, CHEMBL2366139, CHEMBL2366115, CHEMBL2366234, CHEMBL1075385, CHEMBL2366152, CHEMBL2366338, CHEMBL614775, CHEMBL614836, CHEMBL612264, CHEMBL1075528, CHEMBL1075459, CHEMBL2366140, CHEMBL2366196, CHEMBL2366373, CHEMBL2366259, CHEMBL612263, CHEMBL1075589, CHEMBL2366193, CHEMBL1075480, CHEMBL2366285, CHEMBL2366169, CHEMBL1075569, CHEMBL1075394, CHEMBL2366265, CHEMBL2366325, CHEMBL1075403, CHEMBL2366093, CHEMBL614916, CHEMBL1075419, CHEMBL2366364, CHEMBL613529, CHEMBL614214, CHEMBL1075612	AGS, NCI-H1703, MKN-7, HT-1080, NCI-H226, Lu-65, CPC-N, LAN-6, SBC-5, LB2241-RCC, NCI-H1436, TE-1, CaR-1, HuP-T3, BB30-HNC, P30-OHK, SK-MEL-30, C-33-A, RPMI-2650, 8-MG-BA, HPAF-II, EW-7, NCI-H650, DOHH-2, MHH-ES-1, TYK-nu, HT-3, Raji, NCI-H1770, NCI-H82, NCI-H1694, MOLT-16, MS-1, EFO-27, HCC1187, BPH-1, CAL-54, NEC8, Becker, NB13, 8305C, SMMC-7721, CHP-212, GT3TKB, HuCCT-1, MHH-NB-11, MEG-01, A-427, SW756, Plasmodium falciparum, Calu-6, HH, LS-411N, MIA PaCa-2, EVSA-T, MN-60, LB771-HNC, SK-PN-DW, TE-15, IGROV-1, NCCIT, IST-SL2, D-392MG, SW13, NCI-H1651, HTC-C3, EB-3, NCI-H2452, OAW-28, RS4-11, MKN-28, MZ1-PC, SJSA-1, SW780, NCI-H2030, EW-11, NCI-H2342, LN-405, TCC-SUP, NCI-H522, LU-99A, NCI-H727, DU-4475, ES1, DOK, LB1047-RCC, EFE-184, SIG-M5, COLO-824, M059J, NCI-H2087, Unchecked, DBTRG-05MG, NCI-H1299, KMOE-2, GOTO, Nuclear receptor ROR-gamma, COR-L23, MFE-280, NUGC-3, NB1, A498, SU-DHL-1, CAL-85-1, GAMG, CAL-51, UMC-11, NCI-H1734, RCC10RGB, BL-41, TE-8, RT-112, NCI-H810, P12-Ichikawa, TE-9, LXF-289 cell line, IST-MEL1, MFM-223, TE-12, ES7, COLO-829, UACC-62, NCI-H358, SK-NEP-1, WSU-NHL, HCC1569, M14, SW-620, U-118-MG, ESS-1, KB, RPMI-8226, TUR, CAS-1, KOSC-2, CAL-120, CAL-72, ARH-77, RCM-1, HT, Huh-7, SCC-4, KP-4, YT, A 172, HOP-62, JVM-2, SCC-15, C2BBe1, RPMI-6666, BB49-HNC, SNB-75, LB831-BLC, HT-144, LS-513, CP66-MEL, D-263MG, G-361, SK-LMS-1, OPM-2, MCF7, LS-1034, NCI-H1437, LOUCY, NCI-H446, COR-L279, CMK, SK-UT-1, CAL-27, CCRF-CEM, SNU-387, HL-60, NCI-H64, BV-173, KY821, KLE, NCI-H23, MES-SA, NCI-H322M, L-540, Daudi, KP-N-YN, CHL-1, IA-LM, MFH-ino, NCI-H2141, no-10, HuTu80, UO-31, HDLM-2, KU812 cell line, COR-L105, SK-MEL-28, OVCAR-4, NCI-H1838, SW1573, NB12, HCC70, NOS-1, EKVX, TALL-1, PC-3, C32, BEN, KM-H2, EHEB, NCI-H1793, SW626, CAPAN-1, RVH-421, K562, BE-13, UACC-257, NCI-H1650, RPMI 8402, KYSE-270, NMC-G1, MG-63, NCI-H1304, 1A9/ptx-22, T-24, HuO-3N1, DU-145, COLO-320-HSR, MDA-MB-361, A2058, SHP77, BHY, NCI-H187, MDA-MB-175-VII, SNU-C2B, NCI-H460, NCI-H2227, LC-1F, JIYOYE, SNU-449, NCI-H1618, Capan-2, SW837, SW1463, YKG-1, T84, AN3-CA, MDA-MB-231, GAK, KYSE-140, NCI-H720, NTERA-2-cl-D1, GR-ST, C-4-II, SCLC-21H, Sus scrofa, COLO-668, NCI-H596, RERF-LC-MS, MLMA, SK-CO-1, HCT-15, CAL-39, RD, SCC-3, IST-MES1, GMS-10, ChaGo-K-1, NCI-H1155, HT1197, SN12C, DSH1, THP-1, TE-5, NCI-H1963, K052, DK-MG, Ca9-22, A-375, OVCAR-3, Calu-3, MDA-MB-453, NCI-H719, NCI-H1573, ATN-1, NB10, H4, LoVo, MZ7-mel, REH, J-RT3-T3-5, D283 Med, DMS-79, LB2518-MEL, LB373-MEL-D, SK-N-AS, A4-Fuk, MDA-MB-415, COLO-680N, A253 cell line, NCI-H2052, LU-165, KYSE-450, T98G, Caov-3 cell line, NCI-H1755, Calu-1, COLO-741, AU565, LB996-RCC, GI-ME-N, U-87 MG, OS-RC-2, NCI-H2122, LNCaP-Clone-FGC, SNG-M, NB5, SW1417, NCI-H1792, KYSE-510, DMS-53, QIMR-WIL, BT-474, Hs-578T, SUP-T1, NCI-H1882, SK-HEP1, SK-MM-2, SW872, HuP-T4, NOMO-1, KYSE-70 cell line, MFE-296, SK-N-DZ, S-117, MZ2-MEL, SCC-25, NCI-H524, C3A, HEL, Detroit562, NCI-H1355, SAOS-2, HMV-2 cell line, NCI-H2196, LS-123, MDA-MB-468, NCI-H661, IGR-1, HCC1143, A101D, CAL-148, NCI-H1522, HCC1937, HD-MY-Z, SF-126, SF-268, CAKI-1, NCI-H209, SAS, OCI-AML2, SKG-IIIa, MeWo, DG-75, BT-20, KINGS-1, LCLC-97TM1, EB2, COLO-679, HN, IST-SL1, ABC-1, MHH-CALL-2, TGW, SCH, HCC1395, COLO-792, BHT-101, KURAMOCHI, LK-2, SK-N-FI, NCI-H2009, EM-2, BL-70, HCC2218, TE-6, ACN, LB647-SCLC, NCI-H1623, COLO-678, ES3, 8505C, SW982, KB 3-1, PANC-03-27, P31-FUJ, SK-OV-3, SK-MES-1, NON-PROTEIN TARGET, KG-1, HSC-3, Bel-7402, U-251, BFTC-905, CESS, ONS-76, D-502MG, RT-4, KARPAS-422, OE33, RH-1, GP5d, 23132-87, DMS-114, CCF-STTG1, 1A9, ASPC1, CW-2, SBC-1, SF-539, LC4-1, A673, Nuclear receptor subfamily 1 group I member 2, ME-180, ML-2, SNU-475, MEL-HO, SNU-423, U-266, HOS, UACC-812, TGBC1TKB, BFTC-909, DoTc2-4510, KNS-42, TE-10, EGI-1, OVCAR-5, SW1783, KNS-81-FD, KP-N-YS, DJM-1, LU-134-A, NCI-H1693, NCI-H520, RL, NCI-H2171, KU-19-19, NCI-H716, A3-KAW, HCC38, NCI-H2170, TE-11, A2780, HCC 2998, TT, TGBC24TKB, HLE, HOP-92, JVM-3, OMC-1, GCIY, L-428, KARPAS-299, CAMA-1, HCE-T, NCI-H2228, ES8, 5637, HCE-4, BC-3, NCI-H510A, SiHa, SK-MEL-2, COLO 205, NCI-H1563, NCI-H2081, G-402, EFO-21, MEL-JUSO, NCI-H747, SW948, VA-ES-BJ, CGTH-W-1, SK-MEL-24, LP-1, CAL-62, ACHN, HCC2157, CWR22R, EW-16, KGN, ALL-PO, Daoy, NCI-H2405, CHP-126, NCI-H1581, ECC4, KE-37, RKO, COR-L88, HT55, ES6, KS-1, SK-MEL3, CP50-MEL-B, CAL-12T, A704, HT-29, MC-CAR, BC1 cell line, SW48, SNU-16, ES5, HCC1599, EW-18, OE19, SNU-5, SW1710, TK-10, Ca-Ski, NCI-H1648, SW1088, BOKU, MKN-45, CTV-1, JEG-3, U2OS, PSN1, MHH-PREB-1, NCI-H1092, EW-1, ETK-1, LCLC-103H cell line, SNU-398, Panc1005, GB-1, RO82-W-1, KM12, DMS-273, NCI-H345, NCI-H1395, BXPC-3, HC-1, YAPC, SJRH30, BCPAP, NCI-H2126, EC-GI-10, RPMI-8866, MPP-89, HO-1-N-1, PA-1, HCC1419, K5, DB, SW1990, 639-V, HCC1806, SF-295, A204, SH-4, HT-1376, HEC-1, J82, MSTO-211H, DMS-153, HepG2, OCUB-M, COLO-684, NCI-N87, EW-13, A388, NCI-H526, VM-CUB-1, SW684, UACC-893, MV4-11, Pregnane X receptor, AM-38, NY, PFSK-1, DV-90, NB69, KMS-12-PE, LAMA-84, CAL-33, HGC-27, CTB-1, MC116, Ramos-2G6-4C10, 769-P, U-698-M, IPC-298, PC-14, HCT-116, RXF 393, NCI-H2347, UMUC3, RMG-I, PANC-08-13, GDM-1, EW-3, TE-441-T, KYSE-150 cell line, SW 962, 1A9/ptx-10, ST486, SR, IMR-5, 697, NCI-H28, PLC-PRF-5, NCI-H748, ES4, FaDu, MDA-MB-157, DEL, HAL-01, HSC-4, NKM-1, HCC1954, EOL1, KYSE-180, NCI-H838, KALS-1, MMAC-SF, no-11, WM-115, EFM-19, GCT, NCI-H889, NCI-H441, 786-0, HSC-2, OVCAR-8, MOLT-4, LOX IMVI, NB6, MONO-MAC-6, G-401, MRK-nu-1, SK-LU-1, KARPAS-45, NCI-H292, SIMA, CA46, NH-12, 647-V, SW 954, PF-382, KYSE-410, BB65-RCC, D-542MG, LU-139, SNU-C1, NCI-H1993, SCC-9, NCI-H69, KYSE-520 cell line, NCI-H1417, OAW-42, SK-MEL-1, L-363, EW-24, MKN-1, IM-9, COLO-800, JAR, MDA-MB-134-VI, VMRC-RCZ, GI-1, SNU1, T47D, RPMI-7951, NALM-6, C8166, FTC-133, MC-IXC	C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@]2(C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1
3	CHEMBL94657	PATUPILONE	10.67	CHEMBL1075590	695	Sus scrofa, Mus musculus, None, Plasmodium falciparum, Homo sapiens, Rattus norvegicus	695	CHEMBL612519, CHEMBL614129, CHEMBL1075484, CHEMBL1075486, CHEMBL614206, CHEMBL2366102, CHEMBL2366199, CHEMBL2366066, CHEMBL614536, CHEMBL2366353, CHEMBL614487, CHEMBL2366227, CHEMBL2366127, CHEMBL614628, CHEMBL614004, CHEMBL2366145, CHEMBL2366252, CHEMBL2366067, CHEMBL1075405, CHEMBL2366089, CHEMBL2366245, CHEMBL2366347, CHEMBL1075464, CHEMBL613503, CHEMBL2366292, CHEMBL614912, CHEMBL613488, CHEMBL1075511, CHEMBL1075426, CHEMBL1075437, CHEMBL2366248, CHEMBL2366148, CHEMBL1075471, CHEMBL614067, CHEMBL2366078, CHEMBL1075568, CHEMBL2366362, CHEMBL1075554, CHEMBL2366183, CHEMBL2366276, CHEMBL614740, CHEMBL2366287, CHEMBL614860, CHEMBL614489, CHEMBL2366202, CHEMBL614901, CHEMBL2366275, CHEMBL1075401, CHEMBL2366303, CHEMBL613835, CHEMBL613977, CHEMBL613870, CHEMBL2366166, CHEMBL612258, CHEMBL613855, CHEMBL1075509, CHEMBL2366195, CHEMBL612517, CHEMBL1075468, CHEMBL2366357, CHEMBL2366323, CHEMBL1075448, CHEMBL614208, CHEMBL614533, CHEMBL614736, CHEMBL614886, CHEMBL1293231, CHEMBL1075397, CHEMBL2366119, CHEMBL614643, CHEMBL614919, CHEMBL2366236, CHEMBL1075602, CHEMBL1075581, CHEMBL614451, CHEMBL1075407, CHEMBL2366360, CHEMBL1075386, CHEMBL2366309, CHEMBL612588, CHEMBL614917, CHEMBL1075485, CHEMBL1075427, CHEMBL2366296, CHEMBL2366188, CHEMBL1075469, CHEMBL2366082, CHEMBL614187, CHEMBL2366075, CHEMBL614279, CHEMBL1075536, CHEMBL2366262, CHEMBL1075494, CHEMBL394, CHEMBL2366217, CHEMBL1075456, CHEMBL2366274, CHEMBL2366144, CHEMBL614099, CHEMBL1075522, CHEMBL614943, CHEMBL2366372, CHEMBL1075488, CHEMBL2366161, CHEMBL2366368, CHEMBL1075477, CHEMBL1075552, CHEMBL614277, CHEMBL3401, CHEMBL1075472, CHEMBL1075413, CHEMBL1075560, CHEMBL2366354, CHEMBL614317, CHEMBL2366200, CHEMBL1075557, CHEMBL1075580, CHEMBL1075523, CHEMBL1075461, CHEMBL2366174, CHEMBL2366291, CHEMBL1075457, CHEMBL614379, CHEMBL614295, CHEMBL1075462, CHEMBL613505, CHEMBL2366176, CHEMBL615010, CHEMBL614075, CHEMBL2366154, CHEMBL614642, CHEMBL2366298, CHEMBL2366327, CHEMBL612250, CHEMBL1075567, CHEMBL1075594, CHEMBL2366118, CHEMBL1075442, CHEMBL1075412, CHEMBL614247, CHEMBL2366213, CHEMBL2366246, CHEMBL2366331, CHEMBL2366101, CHEMBL1075584, CHEMBL1075576, CHEMBL2366191, CHEMBL2366138, CHEMBL2366304, CHEMBL2366141, CHEMBL613508, CHEMBL612569, CHEMBL1075596, CHEMBL2366137, CHEMBL2366173, CHEMBL2366215, CHEMBL614931, CHEMBL614908, CHEMBL614281, CHEMBL1075553, CHEMBL2366175, CHEMBL2366256, CHEMBL2366232, CHEMBL614135, CHEMBL2366356, CHEMBL614610, CHEMBL2366224, CHEMBL1075565, CHEMBL1075531, CHEMBL614509, CHEMBL385, CHEMBL1075453, CHEMBL614645, CHEMBL614567, CHEMBL2366172, CHEMBL1075430, CHEMBL2366072, CHEMBL2366318, CHEMBL2366182, CHEMBL2366238, CHEMBL614145, CHEMBL2366198, CHEMBL2366310, CHEMBL1075482, CHEMBL614387, CHEMBL2366063, CHEMBL2366371, CHEMBL614197, CHEMBL613858, CHEMBL1075587, CHEMBL2366271, CHEMBL614725, CHEMBL2366228, CHEMBL1075530, CHEMBL2366204, CHEMBL1075563, CHEMBL613300, CHEMBL614213, CHEMBL614561, CHEMBL614529, CHEMBL1075532, CHEMBL614514, CHEMBL613984, CHEMBL612542, CHEMBL2366186, CHEMBL1075432, CHEMBL2366061, CHEMBL2366112, CHEMBL1075400, CHEMBL2366322, CHEMBL614286, CHEMBL2366133, CHEMBL2366207, CHEMBL1075454, CHEMBL2366192, CHEMBL614920, CHEMBL614012, CHEMBL2366074, CHEMBL2366264, CHEMBL1075495, CHEMBL1075601, CHEMBL2366279, CHEMBL613531, CHEMBL384, CHEMBL2366258, CHEMBL2366163, CHEMBL2366348, CHEMBL382, CHEMBL614388, CHEMBL2366179, CHEMBL614826, CHEMBL614347, CHEMBL2366239, CHEMBL2366242, CHEMBL2366283, CHEMBL1075533, CHEMBL1075436, CHEMBL1075590, CHEMBL2366160, CHEMBL1075519, CHEMBL1075496, CHEMBL2366284, CHEMBL2366136, CHEMBL2366098, CHEMBL614590, CHEMBL1075415, CHEMBL614913, CHEMBL1075577, CHEMBL614245, CHEMBL395, CHEMBL1075493, CHEMBL614300, CHEMBL2366317, CHEMBL612555, CHEMBL614516, CHEMBL2366130, CHEMBL2366090, CHEMBL1075518, CHEMBL2366358, CHEMBL1075588, CHEMBL2366335, CHEMBL614343, CHEMBL2366311, CHEMBL2366108, CHEMBL1075450, CHEMBL2366218, CHEMBL1075504, CHEMBL2366316, CHEMBL2366297, CHEMBL614805, CHEMBL2366111, CHEMBL1075562, CHEMBL614905, CHEMBL614923, CHEMBL2366208, CHEMBL613998, CHEMBL1075514, CHEMBL1075478, CHEMBL2366272, CHEMBL2366076, CHEMBL613859, CHEMBL1075490, CHEMBL1075516, CHEMBL1075611, CHEMBL614335, CHEMBL390, CHEMBL614144, CHEMBL1075458, CHEMBL1075607, CHEMBL2366219, CHEMBL1075543, CHEMBL2366135, CHEMBL613997, CHEMBL1075409, CHEMBL2366307, CHEMBL2366099, CHEMBL2366263, CHEMBL2366363, CHEMBL1075513, CHEMBL1075414, CHEMBL614584, CHEMBL2366105, CHEMBL612583, CHEMBL2366110, CHEMBL1075500, CHEMBL2366203, CHEMBL613831, CHEMBL1075410, CHEMBL1075479, CHEMBL1075481, CHEMBL1075406, CHEMBL1075467, CHEMBL2366177, CHEMBL2366097, CHEMBL2366359, CHEMBL2366367, CHEMBL612262, CHEMBL2366189, CHEMBL1075545, CHEMBL614997, CHEMBL2366329, CHEMBL614195, CHEMBL1075421, CHEMBL1075570, CHEMBL2366071, CHEMBL614241, CHEMBL1075561, CHEMBL614517, CHEMBL614334, CHEMBL1075393, CHEMBL2366104, CHEMBL2366184, CHEMBL1075428, CHEMBL1075540, CHEMBL2366205, CHEMBL2366147, CHEMBL3879801, CHEMBL614733, CHEMBL2366302, CHEMBL2366229, CHEMBL614051, CHEMBL612799, CHEMBL2366100, CHEMBL2366096, CHEMBL2366243, CHEMBL2366328, CHEMBL614353, CHEMBL1075583, CHEMBL1075534, CHEMBL2366091, CHEMBL612545, CHEMBL2366293, CHEMBL1075396, CHEMBL1075525, CHEMBL1075487, CHEMBL2366320, CHEMBL2366206, CHEMBL2366073, CHEMBL2366261, CHEMBL2366230, CHEMBL614884, CHEMBL2366365, CHEMBL2366257, CHEMBL612796, CHEMBL1075447, CHEMBL2366313, CHEMBL2366351, CHEMBL613102, CHEMBL1075510, CHEMBL1075399, CHEMBL612701, CHEMBL1075573, CHEMBL1075384, CHEMBL2366370, CHEMBL1075598, CHEMBL2366223, CHEMBL614774, CHEMBL614896, CHEMBL612440, CHEMBL1075591, CHEMBL1075455, CHEMBL1075438, CHEMBL614894, CHEMBL2366250, CHEMBL2366294, CHEMBL614140, CHEMBL614066, CHEMBL383, CHEMBL614056, CHEMBL2366132, CHEMBL1075571, CHEMBL2366146, CHEMBL1075395, CHEMBL2366233, CHEMBL1075418, CHEMBL1075541, CHEMBL2366226, CHEMBL1075491, CHEMBL612570, CHEMBL2366341, CHEMBL614107, CHEMBL1075382, CHEMBL2366143, CHEMBL2366241, CHEMBL2366209, CHEMBL612256, CHEMBL614476, CHEMBL1075404, CHEMBL2366301, CHEMBL2366142, CHEMBL2366070, CHEMBL1075466, CHEMBL2366157, CHEMBL2366295, CHEMBL614534, CHEMBL2366337, CHEMBL1075521, CHEMBL614039, CHEMBL2366181, CHEMBL2366120, CHEMBL2366126, CHEMBL2366253, CHEMBL1075465, CHEMBL2366332, CHEMBL2366247, CHEMBL2366222, CHEMBL1075411, CHEMBL2366315, CHEMBL2366159, CHEMBL2366277, CHEMBL2366225, CHEMBL1075475, CHEMBL1075517, CHEMBL614243, CHEMBL2366216, CHEMBL1075425, CHEMBL2366361, CHEMBL2366346, CHEMBL614177, CHEMBL1075431, CHEMBL1075391, CHEMBL2366299, CHEMBL614925, CHEMBL387, CHEMBL614055, CHEMBL613530, CHEMBL2366114, CHEMBL1075586, CHEMBL2366308, CHEMBL614882, CHEMBL2366306, CHEMBL1075439, CHEMBL1075585, CHEMBL2366094, CHEMBL1075537, CHEMBL2366334, CHEMBL1075463, CHEMBL2366201, CHEMBL614535, CHEMBL2366349, CHEMBL614694, CHEMBL614054, CHEMBL2366254, CHEMBL615023, CHEMBL2366319, CHEMBL2366369, CHEMBL614355, CHEMBL1075429, CHEMBL1075499, CHEMBL2366194, CHEMBL1075505, CHEMBL2366131, CHEMBL1075402, CHEMBL2366185, CHEMBL1075416, CHEMBL1075539, CHEMBL2366156, CHEMBL1075592, CHEMBL1075600, CHEMBL1075524, CHEMBL612565, CHEMBL1075483, CHEMBL2366210, CHEMBL2366125, CHEMBL1075444, CHEMBL2366343, CHEMBL2366121, CHEMBL614580, CHEMBL614940, CHEMBL2366281, CHEMBL1075446, CHEMBL1075435, CHEMBL614352, CHEMBL1075575, CHEMBL1075593, CHEMBL2366106, CHEMBL1075555, CHEMBL2366087, CHEMBL2366149, CHEMBL614660, CHEMBL2366273, CHEMBL1075605, CHEMBL2366153, CHEMBL1075610, CHEMBL2366352, CHEMBL2366355, CHEMBL1075574, CHEMBL613868, CHEMBL2366167, CHEMBL614586, CHEMBL2366286, CHEMBL2366081, CHEMBL613854, CHEMBL2366235, CHEMBL1075460, CHEMBL613860, CHEMBL1075422, CHEMBL1075470, CHEMBL614709, CHEMBL2366214, CHEMBL2366084, CHEMBL400, CHEMBL2366170, CHEMBL2366079, CHEMBL614804, CHEMBL614530, CHEMBL614582, CHEMBL2366187, CHEMBL2366326, CHEMBL612566, CHEMBL2366267, CHEMBL614519, CHEMBL614588, CHEMBL2366069, CHEMBL2366251, CHEMBL614587, CHEMBL2366339, CHEMBL1075387, CHEMBL1075579, CHEMBL1075503, CHEMBL2366333, CHEMBL2366190, CHEMBL1075526, CHEMBL2366231, CHEMBL1075606, CHEMBL2366240, CHEMBL2366155, CHEMBL1075535, CHEMBL2366124, CHEMBL1075434, CHEMBL1075398, CHEMBL2366290, CHEMBL613888, CHEMBL614512, CHEMBL2366278, CHEMBL1075564, CHEMBL2366062, CHEMBL614803, CHEMBL614515, CHEMBL612657, CHEMBL1075423, CHEMBL614581, CHEMBL1075544, CHEMBL612815, CHEMBL613509, CHEMBL614354, CHEMBL1075604, CHEMBL1075498, CHEMBL2366123, CHEMBL1075417, CHEMBL1075502, CHEMBL398, CHEMBL364, CHEMBL396, CHEMBL613889, CHEMBL1075558, CHEMBL2366314, CHEMBL2366330, CHEMBL1075515, CHEMBL2366165, CHEMBL2366086, CHEMBL1075383, CHEMBL1075582, CHEMBL612279, CHEMBL2366211, CHEMBL614096, CHEMBL614036, CHEMBL1075433, CHEMBL1075578, CHEMBL614934, CHEMBL1075445, CHEMBL2366312, CHEMBL1075501, CHEMBL2366366, CHEMBL2366280, CHEMBL614949, CHEMBL2146315, CHEMBL2366077, CHEMBL2366221, CHEMBL2366266, CHEMBL2366342, CHEMBL2366116, CHEMBL2366065, CHEMBL614034, CHEMBL1075546, CHEMBL1075566, CHEMBL2366068, CHEMBL1075441, CHEMBL2366092, CHEMBL614454, CHEMBL1075449, CHEMBL614255, CHEMBL614356, CHEMBL612255, CHEMBL1075542, CHEMBL614721, CHEMBL1075538, CHEMBL2366083, CHEMBL614899, CHEMBL1075408, CHEMBL1075595, CHEMBL2366344, CHEMBL2366220, CHEMBL614801, CHEMBL1075392, CHEMBL1075556, CHEMBL612447, CHEMBL2366340, CHEMBL1075489, CHEMBL2366171, CHEMBL2366109, CHEMBL2366305, CHEMBL1075440, CHEMBL614361, CHEMBL615022, CHEMBL1075497, CHEMBL1075547, CHEMBL1075527, CHEMBL2366268, CHEMBL2366178, CHEMBL614879, CHEMBL2366300, CHEMBL2366139, CHEMBL2366115, CHEMBL2366234, CHEMBL1075385, CHEMBL2366152, CHEMBL2366338, CHEMBL614775, CHEMBL614836, CHEMBL612264, CHEMBL1075528, CHEMBL1075459, CHEMBL2366140, CHEMBL2366196, CHEMBL2366373, CHEMBL2366259, CHEMBL612263, CHEMBL1075589, CHEMBL2366193, CHEMBL1075480, CHEMBL2366285, CHEMBL2366169, CHEMBL1075569, CHEMBL1075394, CHEMBL2366265, CHEMBL2366325, CHEMBL1075403, CHEMBL2366093, CHEMBL614916, CHEMBL1075419, CHEMBL2366364, CHEMBL613529, CHEMBL614214, CHEMBL1075612	AGS, NCI-H1703, MKN-7, HT-1080, NCI-H226, Lu-65, CPC-N, LAN-6, SBC-5, LB2241-RCC, NCI-H1436, TE-1, CaR-1, HuP-T3, BB30-HNC, P30-OHK, SK-MEL-30, C-33-A, RPMI-2650, 8-MG-BA, HPAF-II, EW-7, NCI-H650, DOHH-2, MHH-ES-1, TYK-nu, HT-3, Raji, NCI-H1770, NCI-H82, NCI-H1694, MOLT-16, MS-1, EFO-27, HCC1187, BPH-1, CAL-54, NEC8, Becker, NB13, 8305C, SMMC-7721, CHP-212, GT3TKB, HuCCT-1, MHH-NB-11, MEG-01, A-427, SW756, Plasmodium falciparum, Calu-6, HH, LS-411N, MIA PaCa-2, EVSA-T, MN-60, LB771-HNC, SK-PN-DW, TE-15, IGROV-1, NCCIT, IST-SL2, D-392MG, SW13, NCI-H1651, HTC-C3, EB-3, NCI-H2452, OAW-28, RS4-11, MKN-28, MZ1-PC, SJSA-1, SW780, NCI-H2030, EW-11, NCI-H2342, LN-405, TCC-SUP, NCI-H522, LU-99A, NCI-H727, DU-4475, ES1, DOK, LB1047-RCC, EFE-184, SIG-M5, COLO-824, M059J, NCI-H2087, Unchecked, DBTRG-05MG, NCI-H1299, KMOE-2, GOTO, Nuclear receptor ROR-gamma, COR-L23, MFE-280, NUGC-3, NB1, A498, SU-DHL-1, CAL-85-1, GAMG, CAL-51, UMC-11, NCI-H1734, RCC10RGB, BL-41, TE-8, RT-112, NCI-H810, P12-Ichikawa, TE-9, LXF-289 cell line, IST-MEL1, MFM-223, TE-12, ES7, COLO-829, UACC-62, NCI-H358, SK-NEP-1, WSU-NHL, HCC1569, M14, SW-620, U-118-MG, ESS-1, KB, RPMI-8226, TUR, CAS-1, KOSC-2, CAL-120, CAL-72, ARH-77, RCM-1, HT, Huh-7, SCC-4, KP-4, YT, A 172, HOP-62, JVM-2, SCC-15, C2BBe1, RPMI-6666, BB49-HNC, SNB-75, LB831-BLC, HT-144, LS-513, CP66-MEL, D-263MG, G-361, SK-LMS-1, OPM-2, MCF7, LS-1034, NCI-H1437, LOUCY, NCI-H446, COR-L279, CMK, SK-UT-1, CAL-27, CCRF-CEM, SNU-387, HL-60, NCI-H64, BV-173, KY821, KLE, NCI-H23, MES-SA, NCI-H322M, L-540, Daudi, KP-N-YN, CHL-1, IA-LM, MFH-ino, NCI-H2141, no-10, HuTu80, UO-31, HDLM-2, KU812 cell line, COR-L105, SK-MEL-28, OVCAR-4, NCI-H1838, SW1573, NB12, HCC70, NOS-1, EKVX, TALL-1, PC-3, C32, BEN, KM-H2, EHEB, NCI-H1793, SW626, CAPAN-1, RVH-421, K562, BE-13, UACC-257, NCI-H1650, RPMI 8402, KYSE-270, NMC-G1, MG-63, NCI-H1304, 1A9/ptx-22, T-24, HuO-3N1, DU-145, COLO-320-HSR, MDA-MB-361, A2058, SHP77, BHY, NCI-H187, MDA-MB-175-VII, SNU-C2B, NCI-H460, NCI-H2227, LC-1F, JIYOYE, SNU-449, NCI-H1618, Capan-2, SW837, SW1463, YKG-1, T84, AN3-CA, MDA-MB-231, GAK, KYSE-140, NCI-H720, NTERA-2-cl-D1, GR-ST, C-4-II, SCLC-21H, Sus scrofa, COLO-668, NCI-H596, RERF-LC-MS, MLMA, SK-CO-1, HCT-15, CAL-39, RD, SCC-3, IST-MES1, GMS-10, ChaGo-K-1, NCI-H1155, HT1197, SN12C, DSH1, THP-1, TE-5, NCI-H1963, K052, DK-MG, Ca9-22, A-375, OVCAR-3, Calu-3, MDA-MB-453, NCI-H719, NCI-H1573, ATN-1, NB10, H4, LoVo, MZ7-mel, REH, J-RT3-T3-5, D283 Med, DMS-79, LB2518-MEL, LB373-MEL-D, SK-N-AS, A4-Fuk, MDA-MB-415, COLO-680N, A253 cell line, NCI-H2052, LU-165, KYSE-450, T98G, Caov-3 cell line, NCI-H1755, Calu-1, COLO-741, AU565, LB996-RCC, GI-ME-N, U-87 MG, OS-RC-2, NCI-H2122, LNCaP-Clone-FGC, SNG-M, NB5, SW1417, NCI-H1792, KYSE-510, DMS-53, QIMR-WIL, BT-474, Hs-578T, SUP-T1, NCI-H1882, SK-HEP1, SK-MM-2, SW872, HuP-T4, NOMO-1, KYSE-70 cell line, MFE-296, SK-N-DZ, S-117, MZ2-MEL, SCC-25, NCI-H524, C3A, HEL, Detroit562, NCI-H1355, SAOS-2, HMV-2 cell line, NCI-H2196, LS-123, MDA-MB-468, NCI-H661, IGR-1, HCC1143, A101D, CAL-148, NCI-H1522, HCC1937, HD-MY-Z, SF-126, SF-268, CAKI-1, NCI-H209, SAS, OCI-AML2, SKG-IIIa, MeWo, DG-75, BT-20, KINGS-1, LCLC-97TM1, EB2, COLO-679, HN, IST-SL1, ABC-1, MHH-CALL-2, TGW, SCH, HCC1395, COLO-792, BHT-101, KURAMOCHI, LK-2, SK-N-FI, NCI-H2009, EM-2, BL-70, HCC2218, TE-6, ACN, LB647-SCLC, NCI-H1623, COLO-678, ES3, 8505C, SW982, KB 3-1, PANC-03-27, P31-FUJ, SK-OV-3, SK-MES-1, NON-PROTEIN TARGET, KG-1, HSC-3, Bel-7402, U-251, BFTC-905, CESS, ONS-76, D-502MG, RT-4, KARPAS-422, OE33, RH-1, GP5d, 23132-87, DMS-114, CCF-STTG1, 1A9, ASPC1, CW-2, SBC-1, SF-539, LC4-1, A673, Nuclear receptor subfamily 1 group I member 2, ME-180, ML-2, SNU-475, MEL-HO, SNU-423, U-266, HOS, UACC-812, TGBC1TKB, BFTC-909, DoTc2-4510, KNS-42, TE-10, EGI-1, OVCAR-5, SW1783, KNS-81-FD, KP-N-YS, DJM-1, LU-134-A, NCI-H1693, NCI-H520, RL, NCI-H2171, KU-19-19, NCI-H716, A3-KAW, HCC38, NCI-H2170, TE-11, A2780, HCC 2998, TT, TGBC24TKB, HLE, HOP-92, JVM-3, OMC-1, GCIY, L-428, KARPAS-299, CAMA-1, HCE-T, NCI-H2228, ES8, 5637, HCE-4, BC-3, NCI-H510A, SiHa, SK-MEL-2, COLO 205, NCI-H1563, NCI-H2081, G-402, EFO-21, MEL-JUSO, NCI-H747, SW948, VA-ES-BJ, CGTH-W-1, SK-MEL-24, LP-1, CAL-62, ACHN, HCC2157, CWR22R, EW-16, KGN, ALL-PO, Daoy, NCI-H2405, CHP-126, NCI-H1581, ECC4, KE-37, RKO, COR-L88, HT55, ES6, KS-1, SK-MEL3, CP50-MEL-B, CAL-12T, A704, HT-29, MC-CAR, BC1 cell line, SW48, SNU-16, ES5, HCC1599, EW-18, OE19, SNU-5, SW1710, TK-10, Ca-Ski, NCI-H1648, SW1088, BOKU, MKN-45, CTV-1, JEG-3, U2OS, PSN1, MHH-PREB-1, NCI-H1092, EW-1, ETK-1, LCLC-103H cell line, SNU-398, Panc1005, GB-1, RO82-W-1, KM12, DMS-273, NCI-H345, NCI-H1395, BXPC-3, HC-1, YAPC, SJRH30, BCPAP, NCI-H2126, EC-GI-10, RPMI-8866, MPP-89, HO-1-N-1, PA-1, HCC1419, K5, DB, SW1990, 639-V, HCC1806, SF-295, A204, SH-4, HT-1376, HEC-1, J82, MSTO-211H, DMS-153, HepG2, OCUB-M, COLO-684, NCI-N87, EW-13, A388, NCI-H526, VM-CUB-1, SW684, UACC-893, MV4-11, Pregnane X receptor, AM-38, NY, PFSK-1, DV-90, NB69, KMS-12-PE, LAMA-84, CAL-33, HGC-27, CTB-1, MC116, Ramos-2G6-4C10, 769-P, U-698-M, IPC-298, PC-14, HCT-116, RXF 393, NCI-H2347, UMUC3, RMG-I, PANC-08-13, GDM-1, EW-3, TE-441-T, KYSE-150 cell line, SW 962, 1A9/ptx-10, ST486, SR, IMR-5, 697, NCI-H28, PLC-PRF-5, NCI-H748, ES4, FaDu, MDA-MB-157, DEL, HAL-01, HSC-4, NKM-1, HCC1954, EOL1, KYSE-180, NCI-H838, KALS-1, MMAC-SF, no-11, WM-115, EFM-19, GCT, NCI-H889, NCI-H441, 786-0, HSC-2, OVCAR-8, MOLT-4, LOX IMVI, NB6, MONO-MAC-6, G-401, MRK-nu-1, SK-LU-1, KARPAS-45, NCI-H292, SIMA, CA46, NH-12, 647-V, SW 954, PF-382, KYSE-410, BB65-RCC, D-542MG, LU-139, SNU-C1, NCI-H1993, SCC-9, NCI-H69, KYSE-520 cell line, NCI-H1417, OAW-42, SK-MEL-1, L-363, EW-24, MKN-1, IM-9, COLO-800, JAR, MDA-MB-134-VI, VMRC-RCZ, GI-1, SNU1, T47D, RPMI-7951, NALM-6, C8166, FTC-133, MC-IXC	C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@]2(C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1
4	CHEMBL1554	DACTINOMYCIN	10.1	CHEMBL614533	177	Giardia intestinalis, Trypanosoma cruzi, Equus caballus, Bos taurus, Mus musculus, None, Plasmodium falciparum, Chlorocebus aethiops, Homo sapiens	177	CHEMBL388, CHEMBL614151, CHEMBL3577, CHEMBL5514, CHEMBL614628, CHEMBL614004, CHEMBL615023, CHEMBL613508, CHEMBL399, CHEMBL4261, CHEMBL614923, CHEMBL614533, CHEMBL612545, CHEMBL391, CHEMBL1293232, CHEMBL3563, CHEMBL1293231, CHEMBL2903, CHEMBL614919, CHEMBL4830, CHEMBL395, CHEMBL614542, CHEMBL372, CHEMBL392, CHEMBL3468, CHEMBL612558, CHEMBL1293254, CHEMBL3663, CHEMBL614177, CHEMBL1293224, CHEMBL398, CHEMBL1293236, CHEMBL364, CHEMBL612810, CHEMBL387, CHEMBL396, CHEMBL384, CHEMBL1293237, CHEMBL4801, CHEMBL612565, CHEMBL4159, CHEMBL382, CHEMBL614735, CHEMBL345, CHEMBL614519, CHEMBL3879801, CHEMBL386, CHEMBL5122, CHEMBL340, CHEMBL1293234, CHEMBL612514, CHEMBL389, CHEMBL614036, CHEMBL1293299, CHEMBL614696, CHEMBL613977, CHEMBL397	HT-29, CCRF-CEM, WIL2-NS, Unchecked, Caspase-7, 5637, HeLa, MOLT-4, Plasmodium falciparum, KB, Nuclear receptor ROR-gamma, Caspase-1, HEp-2, DU-145, HepG2, U2OS, Lymphoblastoid cells, CRL-7065 cell line, Hypoxia-inducible factor 1 alpha, ACHN, Discoidin domain-containing receptor 2, Cruzipain, Endoplasmic reticulum-associated amyloid beta-peptide-binding protein, Putative fructose-1,6-bisphosphate aldolase, MT4, Calf thymus DNA, SK-MEL-28, Histone-lysine N-methyltransferase MLL, ATP-dependent DNA helicase Q1, Cytochrome P450 3A4, SK-MES-1, P388, NCI-H460, CCRF-SB, A549, NON-PROTEIN TARGET, Raji, Arachidonate 15-lipoxygenase, SF-268, Jurkat, A2780, Ferritin light chain, G-361, Microtubule-associated protein tau, Huntingtin, MCF7, C8166, L1210, Vero, ADMET, Growth factor receptor-bound protein 2, Nucleic Acid, Homo sapiens, Survival motor neuron protein, Bloom syndrome protein, Aldehyde dehydrogenase 1A1	Cc1c2oc3c(C)ccc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)c(N)c1=O
5	CHEMBL1173445	LARGAZOLE	8.8	CHEMBL612545	45	Homo sapiens, None	45	CHEMBL392, CHEMBL3192, CHEMBL3524, CHEMBL5103, CHEMBL4145, CHEMBL3879801, CHEMBL1865, CHEMBL614348, CHEMBL1937, CHEMBL396, CHEMBL1829, CHEMBL612545, CHEMBL325, CHEMBL5924	Histone deacetylase 9, Ubiquitin-like modifier-activating enzyme 1, Unchecked, Histone deacetylase 3, Histone deacetylase 1, NCI-H460, A549, Histone deacetylase 4, NON-PROTEIN TARGET, Histone deacetylase 8, Histone deacetylase 6, Histone deacetylase 2, Histone deacetylase 10, NCI-H1975	CCCCCCCC(=O)SCC/C=C/[C@@H]1CC(=O)NCc2nc(cs2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1
6	CHEMBL3902498	None	9.37	CHEMBL2095194,CHEMBL3991	17	Homo sapiens, None	17	CHEMBL2820, CHEMBL3991, CHEMBL1801, CHEMBL204, CHEMBL1873, CHEMBL3879801, CHEMBL2000, CHEMBL2016, CHEMBL4444, CHEMBL2095194, CHEMBL3286, CHEMBL2821, CHEMBL612545, CHEMBL2319, CHEMBL244	Coagulation factor X, Kallikrein 1, Coagulation factor XI, Unchecked, Thrombin, Coagulation factor IX, Plasminogen, Coagulation factor VII, Coagulation factor VII/tissue factor, Vitamin K-dependent protein C, NON-PROTEIN TARGET, Tissue-type plasminogen activator, Urokinase-type plasminogen activator, Plasma kallikrein, Coagulation factor XII	Cc1cc2ccc1[C@@H](C)COC(=O)Nc1ccc(S(=O)(=O)C3CC3)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)ncc(F)c2c1
7	CHEMBL3593247	None	9.4	CHEMBL325	15	Homo sapiens, None	15	CHEMBL3192, CHEMBL5103, CHEMBL3879801, CHEMBL1865, CHEMBL1937, CHEMBL1829, CHEMBL325, CHEMBL2111363	Histone deacetylase 3, Histone deacetylase 1, NON-PROTEIN TARGET, Histone deacetylase 8, Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2), Histone deacetylase 6, Histone deacetylase 2, Histone deacetylase 10	CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(n2)CNC(=O)C[C@@H](/C=C/CCS)OC1=O
8	CHEMBL1796689	LARGAZOLE THIOL	9.4	CHEMBL325,CHEMBL325	15	Homo sapiens, None	15	CHEMBL3192, CHEMBL5103, CHEMBL3310, CHEMBL3879801, CHEMBL1865, CHEMBL1937, CHEMBL1829, CHEMBL325	Histone deacetylase 3, Histone deacetylase 1, Histone deacetylase 11, NON-PROTEIN TARGET, Histone deacetylase 8, Histone deacetylase 6, Histone deacetylase 2, Histone deacetylase 10	CC(C)[C@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(n2)CNC(=O)C[C@@H](/C=C/CCS)OC1=O
9	CHEMBL264224	ARENASTATIN A	9.89	CHEMBL614328	10	Homo sapiens, None	10	CHEMBL2095182, CHEMBL394, CHEMBL613829, CHEMBL387, CHEMBL614328, CHEMBL612545	NCI/ADR-RES, Unchecked, MCF7, HCT-116, MCF7S, Tubulin	COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)cc1
10	CHEMBL3593409	None	8.57	CHEMBL325	9	Homo sapiens, None	9	CHEMBL3192, CHEMBL3879801, CHEMBL1865, CHEMBL1937, CHEMBL1829, CHEMBL325	Histone deacetylase 3, Histone deacetylase 1, NON-PROTEIN TARGET, Histone deacetylase 8, Histone deacetylase 6, Histone deacetylase 2	CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2cccc(n2)CNC(=O)C[C@@H](/C=C/CCS)OC1=O
11	CHEMBL3593411	None	8.66	CHEMBL325	9	Homo sapiens, None	9	CHEMBL3192, CHEMBL3879801, CHEMBL1865, CHEMBL1937, CHEMBL1829, CHEMBL325	Histone deacetylase 3, Histone deacetylase 1, NON-PROTEIN TARGET, Histone deacetylase 8, Histone deacetylase 6, Histone deacetylase 2	CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2ccnc(c2)CNC(=O)C[C@@H](/C=C/CCS)OC1=O
12	CHEMBL1316258	None	7.0	CHEMBL2093861	9	Homo sapiens	9	CHEMBL2093861, CHEMBL1293224, CHEMBL289, CHEMBL340	Menin/Histone-lysine N-methyltransferase MLL, Microtubule-associated protein tau, Cytochrome P450 3A4, Cytochrome P450 2D6	CO[C@H]1COC(=O)C/C=C\[C@H](C)[C@@H](NS(=O)(=O)c2ccc(C)cc2)COC(=O)C/C=C\[C@@H]1C
13	CHEMBL3622726	None	9.92	CHEMBL325	9	Homo sapiens	9	CHEMBL3192, CHEMBL3524, CHEMBL5103, CHEMBL3310, CHEMBL1865, CHEMBL1937, CHEMBL2716, CHEMBL1829, CHEMBL325	Histone deacetylase 3, Histone deacetylase 6, Histone deacetylase 1, Histone deacetylase 4, Histone deacetylase 11, Histone deacetylase 8, Histone deacetylase 2, Histone deacetylase 10, Histone deacetylase 7	C/C=C1\NC(=O)[C@H](CS)NC(=O)[C@@H](C(C)C)NC(=O)C[C@@H](/C=C/CCS)OC(=O)[C@H](C(C)C)NC1=O
14	CHEMBL3891120	None	9.8	CHEMBL2095194,CHEMBL2095194	9	Homo sapiens, None	9	CHEMBL2820, CHEMBL3991, CHEMBL204, CHEMBL2095194, CHEMBL612545, CHEMBL2319, CHEMBL244	Coagulation factor X, Kallikrein 1, Coagulation factor XI, Unchecked, Thrombin, Coagulation factor VII, Coagulation factor VII/tissue factor	Cc1cc2ccc1[C@@H](C)COC(=O)Nc1ccc(S(=O)(=O)C3CC3)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)nccc2c1
15	CHEMBL1836143	None	8.41	CHEMBL3885591	8	Homo sapiens	8	CHEMBL3192, CHEMBL3524, CHEMBL4145, CHEMBL1865, CHEMBL3885590, CHEMBL2716, CHEMBL3885591, CHEMBL2111363	Histone deacetylase 2/Nuclear receptor corepressor 2, Histone deacetylase 9, Histone deacetylase 1/Nuclear receptor corepressor 2, Histone deacetylase 4, Histone deacetylase 8, Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2), Histone deacetylase 6, Histone deacetylase 7	C/C=C1/NC(=O)[C@@H](CS)NC(=O)[C@@H](C(C)C)NC(=O)C[C@@H](/C=C/CCS)OC(=O)[C@H](C(C)C)NC1=O
16	CHEMBL13529	CRYPTOPHYCIN 3	9.0	CHEMBL614481,CHEMBL384	8	Mus musculus, Homo sapiens, None	8	CHEMBL614481, CHEMBL614721, CHEMBL398, CHEMBL381, CHEMBL614925, CHEMBL384	HT-29, KB, SK-OV-3, B16, DA-3 cell line, LoVo	COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1Cl
17	CHEMBL94599	None	10.0	CHEMBL614075,CHEMBL614075	8	Homo sapiens	8	CHEMBL614075, CHEMBL398, CHEMBL614590, CHEMBL614509, CHEMBL613858	1A9, 1A9/ptx-10, KB, KB 3-1, 1A9/ptx-22	C/C(=C\c1ccccn1)[C@@H]1C[C@@H]2O[C@]2(C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1
18	CHEMBL3797512	None	7.44	CHEMBL3879801,CHEMBL387	8	Homo sapiens, None	8	CHEMBL400, CHEMBL3879801, CHEMBL614879, CHEMBL387	RKO, NON-PROTEIN TARGET, MCF7, MDA-MB-231	CC(=O)N[C@H](C)[C@@H](O)[C@@H](C)[C@@H]1OC(=O)/C=C/C=C(C)\C=C\[C@]2(C)CCC=C[C@@H]2/C=C(C)/C=C/[C@H]1C
19	CHEMBL1356463	None	6.7	CHEMBL4261,CHEMBL4261	8	Homo sapiens	8	CHEMBL3397, CHEMBL340, CHEMBL3577, CHEMBL4261	Hypoxia-inducible factor 1 alpha, Cytochrome P450 3A4, Cytochrome P450 2C9, Aldehyde dehydrogenase 1A1	CO[C@H]1COC(=O)C/C=C\[C@H](C)[C@@H](NS(=O)(=O)c2ccc(C)cc2)COC(=O)CCC[C@@H]1C
20	CHEMBL4078721	None	8.44	CHEMBL5103	8	Homo sapiens, None	8	CHEMBL3192, CHEMBL5103, CHEMBL1865, CHEMBL1937, CHEMBL612545, CHEMBL325, CHEMBL2111363	Unchecked, Histone deacetylase 1, Histone deacetylase 8, Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2), Histone deacetylase 6, Histone deacetylase 2, Histone deacetylase 10	CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(n2)CNC(=O)C[C@@H](/C=C/CCSCCS)OC1=O
21	CHEMBL4099942	None	7.68	CHEMBL5103	8	Homo sapiens, None	8	CHEMBL3192, CHEMBL5103, CHEMBL1865, CHEMBL1937, CHEMBL612545, CHEMBL325, CHEMBL2111363	Unchecked, Histone deacetylase 1, Histone deacetylase 8, Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2), Histone deacetylase 6, Histone deacetylase 2, Histone deacetylase 10	CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(n2)CNC(=O)C[C@@H](/C=C/CCC(=O)NO)OC1=O
22	CHEMBL3329622	None	9.7	CHEMBL3310	7	Homo sapiens, None	7	CHEMBL3310, CHEMBL5103, CHEMBL3879801, CHEMBL1865, CHEMBL1937, CHEMBL1829, CHEMBL325	Histone deacetylase 3, Histone deacetylase 1, NON-PROTEIN TARGET, Histone deacetylase 11, Histone deacetylase 6, Histone deacetylase 2, Histone deacetylase 10	CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(n2)CNC(=O)C[C@@H](/C=C/CCSSC[C@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)OC1=O
23	CHEMBL3329621	None	10.0	CHEMBL3310	7	Homo sapiens, None	7	CHEMBL3310, CHEMBL5103, CHEMBL3879801, CHEMBL1865, CHEMBL1937, CHEMBL1829, CHEMBL325	Histone deacetylase 3, Histone deacetylase 1, NON-PROTEIN TARGET, Histone deacetylase 11, Histone deacetylase 6, Histone deacetylase 2, Histone deacetylase 10	CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(n2)CNC(=O)C[C@@H](/C=C/CCSSCC/C=C/[C@@H]2CC(=O)NCc3nc(cs3)C3=N[C@@](C)(CS3)C(=O)N[C@@H](C(C)C)C(=O)O2)OC1=O
24	CHEMBL3980787	None	9.21	CHEMBL2095194,CHEMBL3991	7	Homo sapiens, None	7	CHEMBL3991, CHEMBL2820, CHEMBL2095194, CHEMBL612545, CHEMBL2319, CHEMBL244	Coagulation factor X, Kallikrein 1, Unchecked, Coagulation factor XI, Coagulation factor VII, Coagulation factor VII/tissue factor	CCOP(=O)(OCC)c1ccc2cc1CN(C)C(=O)[C@H](Nc1ccc3c(N)nccc3c1)c1ccc(c(C)c1)[C@@H](C)COC(=O)N2
25	CHEMBL3898371	None	9.26	CHEMBL2095194,CHEMBL3991	7	Homo sapiens, None	7	CHEMBL3991, CHEMBL4444, CHEMBL2095194, CHEMBL612545, CHEMBL2319, CHEMBL244	Coagulation factor X, Kallikrein 1, Unchecked, Coagulation factor VII, Coagulation factor VII/tissue factor, Vitamin K-dependent protein C	Cc1cc2ccc1[C@@H](C)COC(=O)Nc1ccc(C3(C(=O)O)CC3)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)ncc(F)c2c1
26	CHEMBL3917434	None	9.24	CHEMBL2095194,CHEMBL3991	7	Homo sapiens, None	7	CHEMBL3991, CHEMBL2820, CHEMBL2095194, CHEMBL612545, CHEMBL2319, CHEMBL244	Coagulation factor X, Kallikrein 1, Unchecked, Coagulation factor XI, Coagulation factor VII, Coagulation factor VII/tissue factor	CCN(CC)C(=O)c1ccc2cc1CN(C)C(=O)[C@H](Nc1ccc3c(N)nccc3c1)c1ccc(c(C)c1)[C@@H](C)COC(=O)N2
27	CHEMBL3593408	None	7.53	CHEMBL3879801	7	Homo sapiens, None	7	CHEMBL1829, CHEMBL3879801, CHEMBL325, CHEMBL1937	NON-PROTEIN TARGET, Histone deacetylase 2, Histone deacetylase 3, Histone deacetylase 1	CCCCCCCC(=O)SCC/C=C/[C@@H]1CC(=O)NCc2cccc(n2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1
28	CHEMBL3593410	None	8.0	CHEMBL3879801,CHEMBL3879801	7	Homo sapiens, None	7	CHEMBL1829, CHEMBL3879801, CHEMBL325, CHEMBL1937	NON-PROTEIN TARGET, Histone deacetylase 2, Histone deacetylase 3, Histone deacetylase 1	CCCCCCCC(=O)SCC/C=C/[C@@H]1CC(=O)NCc2cc(ccn2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1
29	CHEMBL1338329	None	5.5	CHEMBL340,CHEMBL340,CHEMBL340	7	Homo sapiens	7	CHEMBL3577, CHEMBL340	Cytochrome P450 3A4, Aldehyde dehydrogenase 1A1	CO[C@@H]1COC(=O)C/C=C\[C@H](C)[C@@H](NS(=O)(=O)c2ccc(C)cc2)COC(=O)C/C=C\[C@@H]1C
30	CHEMBL2436595	None	8.36	CHEMBL325	7	Homo sapiens, None	7	CHEMBL3192, CHEMBL3879801, CHEMBL1865, CHEMBL1937, CHEMBL2716, CHEMBL1829, CHEMBL325	Histone deacetylase 3, Histone deacetylase 1, NON-PROTEIN TARGET, Histone deacetylase 8, Histone deacetylase 6, Histone deacetylase 2, Histone deacetylase 7	CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2coc(n2)CNC(=O)C[C@@H](/C=C/CCS)OC1=O
31	CHEMBL435745	None	9.22	CHEMBL614075,CHEMBL614075	6	Homo sapiens	6	CHEMBL614075, CHEMBL614509, CHEMBL613858	1A9, 1A9/ptx-10, 1A9/ptx-22	C/C(=C\c1ccc(C)cn1)[C@@H]1C[C@@H]2C[C@H]2CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)CCC(=O)O1
32	CHEMBL379989	RHIZOXIN	6.82	CHEMBL612851,CHEMBL612545	6	Homo sapiens, None, Trypanosoma brucei brucei	6	CHEMBL614628, CHEMBL395, CHEMBL612545, CHEMBL612851, CHEMBL614818	Unchecked, HepG2, HEK293, Raji, Trypanosoma brucei brucei	CO[C@@H](/C(C)=C/C=C/C(C)=C/c1coc(C)n1)[C@@H](C)[C@@H]1C[C@H](O)[C@@]2(C)O[C@@H]2/C=C/[C@@H](C)[C@H]2C[C@H](CC(=O)O2)C[C@@H]2O[C@H]2C(=O)O1
33	CHEMBL3951940	None	8.66	CHEMBL2095194	6	Homo sapiens, None	6	CHEMBL2820, CHEMBL204, CHEMBL2095194, CHEMBL612545, CHEMBL2319, CHEMBL244	Coagulation factor X, Kallikrein 1, Coagulation factor XI, Unchecked, Thrombin, Coagulation factor VII/tissue factor	Cc1cc2ccc1[C@@H](C)COC(=O)Nc1ccc(-c3ccnn3C)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)nccc2c1
34	CHEMBL3628320	None	7.55	CHEMBL394	6	Homo sapiens, None	6	CHEMBL3192, CHEMBL394, CHEMBL613984, CHEMBL3879801, CHEMBL1865, CHEMBL325	Histone deacetylase 1, NON-PROTEIN TARGET, HCT-116, Histone deacetylase 8, Histone deacetylase 6, IGROV-1	CCCCCCCCSSCC/C=C/[C@@H]1CC(=O)N[C@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@H](C(C)C)C(=O)NCC(=O)O1
35	CHEMBL3628319	None	8.52	CHEMBL394	6	Homo sapiens, None	6	CHEMBL3192, CHEMBL394, CHEMBL613984, CHEMBL3879801, CHEMBL1865, CHEMBL325	Histone deacetylase 1, NON-PROTEIN TARGET, HCT-116, Histone deacetylase 8, Histone deacetylase 6, IGROV-1	CCCCCCCC(=O)SCC/C=C/[C@@H]1CC(=O)N[C@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@H](C(C)C)C(=O)NCC(=O)O1
36	CHEMBL194426	None	8.76	CHEMBL614075,CHEMBL614075	6	Homo sapiens	6	CHEMBL614075, CHEMBL614509, CHEMBL613858	1A9, 1A9/ptx-10, 1A9/ptx-22	C/C(=C\c1ccc(C)cn1)[C@@H]1C[C@@H]2C[C@@]2(C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)CCC(=O)O1
37	CHEMBL364897	None	8.05	CHEMBL614075,CHEMBL614075	6	Homo sapiens	6	CHEMBL614075, CHEMBL614509, CHEMBL613858	1A9, 1A9/ptx-10, 1A9/ptx-22	C/C(=C\c1cccc(C)n1)[C@@H]1C[C@@H]2O[C@]2(C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1
38	CHEMBL193425	None	9.82	CHEMBL614075,CHEMBL613858,CHEMBL614075,CHEMBL613858	6	Homo sapiens	6	CHEMBL614075, CHEMBL614509, CHEMBL613858	1A9, 1A9/ptx-10, 1A9/ptx-22	C/C(=C\c1ccc(C)cn1)[C@@H]1C[C@@H]2O[C@]2(C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1
39	CHEMBL3930523	None	8.6	CHEMBL2095194,CHEMBL3991	6	Homo sapiens, None	6	CHEMBL612545, CHEMBL2319, CHEMBL3991, CHEMBL244, CHEMBL2095194	Coagulation factor VII/tissue factor, Unchecked, Coagulation factor VII, Coagulation factor X, Kallikrein 1	Cc1cc2ccc1[C@@H](C)COC(=O)Nc1ccc(C(=O)N(C)C)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)nccc2c1
40	CHEMBL196498	None	8.46	CHEMBL614075,CHEMBL614075	6	Homo sapiens	6	CHEMBL614075, CHEMBL614509, CHEMBL613858	1A9, 1A9/ptx-10, 1A9/ptx-22	CSc1nc(/C=C(\C)[C@@H]2C[C@@H]3C[C@@]3(C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)CCC(=O)O2)cs1
41	CHEMBL194867	None	9.6	CHEMBL614075,CHEMBL614075	6	Homo sapiens	6	CHEMBL614075, CHEMBL614509, CHEMBL613858	1A9, 1A9/ptx-10, 1A9/ptx-22	C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2C[C@@H]2CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1
42	CHEMBL196234	None	9.1	CHEMBL613858,CHEMBL613858	6	Homo sapiens	6	CHEMBL614075, CHEMBL614509, CHEMBL613858	1A9, 1A9/ptx-10, 1A9/ptx-22	CSc1nc(/C=C(\C)[C@@H]2C[C@@H]3C[C@H]3CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)CCC(=O)O2)cs1
43	CHEMBL196586	None	8.33	CHEMBL613858,CHEMBL613858	6	Homo sapiens	6	CHEMBL614075, CHEMBL614509, CHEMBL613858	1A9, 1A9/ptx-10, 1A9/ptx-22	C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2C[C@H]2CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)CCC(=O)O1
44	CHEMBL196415	None	9.7	CHEMBL614075,CHEMBL613858,CHEMBL614075,CHEMBL613858	6	Homo sapiens	6	CHEMBL614075, CHEMBL614509, CHEMBL613858	1A9, 1A9/ptx-10, 1A9/ptx-22	C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@]2(CF)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1
45	CHEMBL3622729	None	8.56	CHEMBL325	6	Homo sapiens	6	CHEMBL3192, CHEMBL5103, CHEMBL1865, CHEMBL1937, CHEMBL1829, CHEMBL325	Histone deacetylase 3, Histone deacetylase 6, Histone deacetylase 1, Histone deacetylase 8, Histone deacetylase 2, Histone deacetylase 10	C/C=C1\NC(=O)c2csc(n2)CNC(=O)C[C@@H](/C=C/CCS)OC(=O)[C@H](C(C)C)NC1=O
46	CHEMBL372255	None	8.05	CHEMBL614075,CHEMBL614075	6	Homo sapiens	6	CHEMBL614075, CHEMBL614509, CHEMBL613858	1A9, 1A9/ptx-10, 1A9/ptx-22	CSc1nc(/C=C(\C)[C@@H]2C/C=C\CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O2)cs1
47	CHEMBL3622727	None	8.66	CHEMBL325	6	Homo sapiens	6	CHEMBL3192, CHEMBL5103, CHEMBL1865, CHEMBL1937, CHEMBL1829, CHEMBL325	Histone deacetylase 3, Histone deacetylase 6, Histone deacetylase 1, Histone deacetylase 8, Histone deacetylase 2, Histone deacetylase 10	C/C=C1\NC(=O)c2csc(n2)[C@@H](C(C)C)NC(=O)C[C@@H](/C=C/CCS)OC(=O)[C@H](C(C)C)NC1=O
48	CHEMBL194251	None	8.3	CHEMBL613858,CHEMBL613858	6	Homo sapiens	6	CHEMBL614075, CHEMBL614509, CHEMBL613858	1A9, 1A9/ptx-10, 1A9/ptx-22	C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2C[C@@]2(C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)CCC(=O)O1
49	CHEMBL3900166	None	9.85	CHEMBL2095194	5	Homo sapiens, None	5	CHEMBL2319, CHEMBL4444, CHEMBL2095194, CHEMBL612545, CHEMBL244	Coagulation factor VII/tissue factor, Vitamin K-dependent protein C, Coagulation factor X, Kallikrein 1, Unchecked	Cc1cc2ccc1[C@@H](C)COC(=O)Nc1ccc(C3(C(=O)O)CCC3)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)ncc(F)c2c1
50	CHEMBL3935309	None	8.26	CHEMBL2095194	5	Homo sapiens, None	5	CHEMBL612545, CHEMBL2319, CHEMBL2820, CHEMBL244, CHEMBL2095194	Coagulation factor VII/tissue factor, Unchecked, Coagulation factor X, Coagulation factor XI, Kallikrein 1	Cc1cc2ccc1[C@@H](C)COC(=O)Nc1ccc(OC(F)(F)F)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)nccc2c1
51	CHEMBL3934882	None	7.82	CHEMBL2319	5	Homo sapiens	5	CHEMBL204, CHEMBL4444, CHEMBL2095194, CHEMBL2319, CHEMBL244	Kallikrein 1, Coagulation factor VII/tissue factor, Vitamin K-dependent protein C, Coagulation factor X, Thrombin	Cc1cc2ccc1[C@@H](C)COC(=O)Nc1ccc(C3CC3)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)ncc(F)c2c1
52	CHEMBL401180	None	7.57	CHEMBL4822,CHEMBL4822	5	Homo sapiens	5	CHEMBL2525, CHEMBL2581, CHEMBL4822	Beta-secretase 1, Cathepsin D, Beta secretase 2	C[C@@]1(N)Cc2cccc(c2)CC[C@H](c2ccccc2)NC(=O)c2cc(cc(-c3ccccc3C#N)c2)COC1=O
53	CHEMBL3967204	None	9.14	CHEMBL2095194	5	Homo sapiens, None	5	CHEMBL2319, CHEMBL4444, CHEMBL2095194, CHEMBL612545, CHEMBL244	Coagulation factor VII/tissue factor, Vitamin K-dependent protein C, Coagulation factor X, Kallikrein 1, Unchecked	Cc1cc2ccc1[C@@H](C)COC(=O)Nc1ccc(C3(c4nnn[nH]4)CC3)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)ncc(F)c2c1
54	CHEMBL316640	CRYPTOPHYCIN 52	10.81	CHEMBL3879801	5	Homo sapiens, None	5	CHEMBL372, CHEMBL382, CHEMBL3879801	Homo sapiens, NON-PROTEIN TARGET, CCRF-CEM	COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl
55	CHEMBL1975251	None	9.7	CHEMBL614481	5	Mus musculus, Homo sapiens, None	5	CHEMBL384, CHEMBL614481, CHEMBL398, CHEMBL381	HT-29, B16, KB, DA-3 cell line	COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1
56	CHEMBL1515216	None	5.85	CHEMBL1947	5	Mus musculus, Homo sapiens	5	CHEMBL1075138, CHEMBL2524, CHEMBL1293231, CHEMBL1947	Nuclear receptor ROR-gamma, Alpha-galactosidase A, Tyrosyl-DNA phosphodiesterase 1, Thyroid hormone receptor beta-1	CO/C1=C\C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C/C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](O)[C@H](C)C(C(C)C)O2)OC1=O
57	CHEMBL3984725	None	9.66	CHEMBL2095194	5	Homo sapiens, None	5	CHEMBL2319, CHEMBL4444, CHEMBL2095194, CHEMBL612545, CHEMBL244	Coagulation factor VII/tissue factor, Vitamin K-dependent protein C, Coagulation factor X, Kallikrein 1, Unchecked	Cc1cc2ccc1[C@@H](C)COC(=O)Nc1ccc(C3(C(=O)O)CCCC3)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)ncc(F)c2c1
58	CHEMBL2436594	None	6.92	CHEMBL3879801	5	Homo sapiens, None	5	CHEMBL1829, CHEMBL3879801, CHEMBL1865, CHEMBL325, CHEMBL1937	NON-PROTEIN TARGET, Histone deacetylase 2, Histone deacetylase 3, Histone deacetylase 1, Histone deacetylase 6	CCCCCCCC(=O)SCC/C=C/[C@@H]1CC(=O)NCc2nc(co2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1
59	CHEMBL3956096	None	10.22	CHEMBL2095194	5	Homo sapiens, None	5	CHEMBL2319, CHEMBL4444, CHEMBL2095194, CHEMBL612545, CHEMBL244	Coagulation factor VII/tissue factor, Vitamin K-dependent protein C, Coagulation factor X, Kallikrein 1, Unchecked	Cc1cc2ccc1[C@@H](C)COC(=O)Nc1ccc(C3(C(=O)O)CCCCC3)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)ncc(F)c2c1
60	CHEMBL2436596	None	7.3	CHEMBL1865	5	Homo sapiens, None	5	CHEMBL1829, CHEMBL3879801, CHEMBL1865, CHEMBL325, CHEMBL1937	Histone deacetylase 6, Histone deacetylase 2, Histone deacetylase 3, NON-PROTEIN TARGET, Histone deacetylase 1	CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2coc(n2)CNC(=O)C[C@@H](/C=C/CCSSCC/C=C/[C@@H]2CC(=O)NCc3nc(co3)C3=N[C@@](C)(CS3)C(=O)N[C@@H](C(C)C)C(=O)O2)OC1=O
61	CHEMBL3622730	None	6.8	CHEMBL325	5	Homo sapiens	5	CHEMBL1829, CHEMBL5103, CHEMBL1865, CHEMBL325, CHEMBL1937	Histone deacetylase 6, Histone deacetylase 2, Histone deacetylase 10, Histone deacetylase 3, Histone deacetylase 1	C/C=C1\NC(=O)c2csc(n2)CNC(=O)C[C@@H](/C=C/CCSC(=O)CCCCCCC)OC(=O)[C@H](C(C)C)NC1=O
62	CHEMBL3942944	None	8.06	CHEMBL2095194	5	Homo sapiens, None	5	CHEMBL612545, CHEMBL2319, CHEMBL2820, CHEMBL244, CHEMBL2095194	Coagulation factor VII/tissue factor, Unchecked, Coagulation factor X, Coagulation factor XI, Kallikrein 1	COC(=O)c1ccc2cc1CN(C)C(=O)[C@H](Nc1ccc3c(N)nccc3c1)c1ccc(c(C)c1)[C@@H](C)COC(=O)N2
63	CHEMBL1173195	None	8.33	CHEMBL325	5	Homo sapiens	5	CHEMBL1829, CHEMBL1865, CHEMBL3524, CHEMBL325	Histone deacetylase 6, Histone deacetylase 4, Histone deacetylase 3, Histone deacetylase 1	CCCCCCCC(=O)SCC/C=C/[C@@H]1CC(=O)NCc2nc(cs2)-c2nc(cs2)C(=O)N[C@@H](C(C)C)C(=O)O1
64	CHEMBL214209	None	8.42	CHEMBL238	5	Homo sapiens	5	CHEMBL228, CHEMBL238, CHEMBL222	Dopamine transporter, Serotonin transporter, Norepinephrine transporter	CN1C2CCC1C1COC(=O)CCCCCC(=O)Nc3ccc(cc3)C1C2
65	CHEMBL3808399	None	7.6	CHEMBL2319	5	Homo sapiens	5	CHEMBL204, CHEMBL2095194, CHEMBL2319, CHEMBL2820, CHEMBL244	Coagulation factor XI, Coagulation factor VII/tissue factor, Coagulation factor X, Thrombin, Kallikrein 1	C[C@H]1COC(=O)Nc2cccc(c2)CNC(=O)C(Nc2ccc3c(N)nccc3c2)c2ccc1cc2
66	CHEMBL2269362	(5S,8R,13S,16R)-(-)-PYRENOPHOROL	5.24	CHEMBL612545	5	Mus musculus, Homo sapiens, None	5	CHEMBL1615322, CHEMBL612545, CHEMBL1293231	Nuclear receptor ROR-gamma, Unchecked, microRNA 21	C[C@@H]1CC[C@H](O)/C=C/C(=O)O[C@H](C)CC[C@H](O)/C=C/C(=O)O1
67	CHEMBL1552529	None	5.8	CHEMBL3622,CHEMBL3622	5	Homo sapiens	5	CHEMBL340, CHEMBL3622	Cytochrome P450 3A4, Cytochrome P450 2C19	CO[C@@H]1COC(=O)C/C=C\[C@@H](C)[C@H](OC)COC(=O)C/C=C\[C@H]1C
68	CHEMBL378243	None	6.77	CHEMBL238	5	Homo sapiens	5	CHEMBL228, CHEMBL238, CHEMBL222	Dopamine transporter, Serotonin transporter, Norepinephrine transporter	CN1C2CCC1C1COC(=O)CCSCCC(=O)Nc3ccc(cc3)C1C2
69	CHEMBL379333	None	6.8	CHEMBL238	5	Homo sapiens	5	CHEMBL228, CHEMBL238, CHEMBL222	Dopamine transporter, Serotonin transporter, Norepinephrine transporter	CN1C2CCC1C1COC(=O)CCC(=O)CCC(=O)Nc3ccc(cc3)C1C2
70	CHEMBL1530445	None	8.6	CHEMBL3622,CHEMBL3622	5	Homo sapiens	5	CHEMBL340, CHEMBL3622	Cytochrome P450 3A4, Cytochrome P450 2C19	CO[C@@H]1COC(=O)CCC[C@H](C)[C@@H](OC)COC(=O)C/C=C\[C@H]1C
71	CHEMBL3622731	None	7.67	CHEMBL325	5	Homo sapiens	5	CHEMBL1829, CHEMBL5103, CHEMBL1865, CHEMBL325, CHEMBL1937	Histone deacetylase 6, Histone deacetylase 2, Histone deacetylase 10, Histone deacetylase 3, Histone deacetylase 1	C/C=C1\NC(=O)c2csc(n2)CNC(=O)C[C@@H](/C=C/CCSC(C)=O)OC(=O)[C@H](C(C)C)NC1=O
72	CHEMBL298167	None	8.0	CHEMBL4588	5	Homo sapiens	5	CHEMBL321, CHEMBL283, CHEMBL332, CHEMBL333, CHEMBL4588	Matrix metalloproteinase-2, Matrix metalloproteinase 3, Matrix metalloproteinase-1, Matrix metalloproteinase 8, Matrix metalloproteinase 9	CNC(=O)[C@@H]1CCC(=O)OCCNC(=O)CC[C@H](C(=O)O)N[C@@H](CCc2ccccc2)C(=O)N1
73	CHEMBL146250	None	8.8	CHEMBL325	5	Homo sapiens	5	CHEMBL3524, CHEMBL1865, CHEMBL325, CHEMBL1937	Histone deacetylase 6, Histone deacetylase 2, Histone deacetylase 4, Histone deacetylase 1	C/C=C1\NC(=O)[C@@H](CS)NC(=O)[C@@H](C(C)C)NC(=O)C[C@@H](/C=C/CCS)OC(=O)[C@H](C(C)C)NC1=O
74	CHEMBL3809472	None	7.46	CHEMBL2319	5	Homo sapiens	5	CHEMBL2095194, CHEMBL2319, CHEMBL2820, CHEMBL244, CHEMBL2095204	Coagulation factor XI, Coagulation factor VII/tissue factor, Coagulation factor X, Kallikrein 1, Trypsin	Nc1nccc2cc(NC3C(=O)NCc4cccc(c4)NC(=O)OCCc4ccc3cc4)ccc12
75	CHEMBL3808853	None	8.22	CHEMBL2319	5	Homo sapiens	5	CHEMBL2095194, CHEMBL2319, CHEMBL2820, CHEMBL244, CHEMBL2095204	Coagulation factor XI, Coagulation factor VII/tissue factor, Coagulation factor X, Kallikrein 1, Trypsin	CC1COC(=O)Nc2cccc(c2)CNC(=O)C(Nc2ccc3c(N)nccc3c2)c2ccc1cc2
76	CHEMBL2106399	KITASAMYCIN	6.2	CHEMBL319	4	None, Rattus norvegicus	4	CHEMBL612545, CHEMBL319	Alpha-1a adrenergic receptor, Unchecked	CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1O
77	CHEMBL3622728	None	6.78	CHEMBL325	4	Homo sapiens	4	CHEMBL1829, CHEMBL5103, CHEMBL325, CHEMBL1937	Histone deacetylase 2, Histone deacetylase 10, Histone deacetylase 3, Histone deacetylase 1	C/C=C1\NC(=O)c2csc(n2)[C@@H](C(C)C)NC(=O)C[C@@H](/C=C/CCSC(=O)CCCCCCC)OC(=O)[C@H](C(C)C)NC1=O
78	CHEMBL3901391	None	9.64	CHEMBL2095194,CHEMBL3991	4	Homo sapiens	4	CHEMBL2095194, CHEMBL2319, CHEMBL3991	Coagulation factor VII/tissue factor, Coagulation factor VII, Kallikrein 1	Cc1cc2ccc1[C@@H](C)COC(=O)Nc1ccc(S(=O)(=O)C3CC3)c(c1)CN(C)C(=O)[C@@H]2Nc1cc2ccnc(N)c2cc1F
79	CHEMBL3909009	None	9.0	CHEMBL2095194,CHEMBL3991	4	Homo sapiens	4	CHEMBL2095194, CHEMBL2319, CHEMBL3991	Coagulation factor VII/tissue factor, Coagulation factor VII, Kallikrein 1	Cc1cc2ccc1[C@@H](C)COC(=O)Nc1ccc(S(=O)(=O)C3CC3)c(c1)CN(C)C(=O)[C@@H]2Nc1cc(F)c2c(N)nccc2c1
80	CHEMBL3895930	None	8.36	CHEMBL2095194	4	Homo sapiens	4	CHEMBL4444, CHEMBL2095194, CHEMBL2319, CHEMBL244	Coagulation factor VII/tissue factor, Vitamin K-dependent protein C, Coagulation factor X, Kallikrein 1	Cc1cc2ccc1[C@@H](C)COC(=O)Nc1ccc(C3(C(=O)O)CCOCC3)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)ncc(F)c2c1
81	CHEMBL3235373	None	6.21	CHEMBL2367131	4	Plasmodium falciparum NF54, Trypanosoma cruzi, Trypanosoma brucei rhodesiense, Rattus norvegicus	4	CHEMBL612348, CHEMBL2367131, CHEMBL368, CHEMBL614793	Plasmodium falciparum NF54, L6, Trypanosoma cruzi, Trypanosoma brucei rhodesiense	C[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)Cc2ccccc2)[C@@H](C)OC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C1=O
82	CHEMBL2106399	KITASAMYCIN	6.2	CHEMBL319	4	None, Rattus norvegicus	4	CHEMBL612545, CHEMBL319	Alpha-1a adrenergic receptor, Unchecked	CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1O
83	CHEMBL2371448	None	7.26	CHEMBL389	4	Mus musculus, Homo sapiens	4	CHEMBL384, CHEMBL389	HT-29, P388	Cc1c2oc3c(C)c4oc(CC(=O)NCCCCN)nc4c(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)c(N)c1=O
84	CHEMBL165020	None	10.11	CHEMBL614328	4	Homo sapiens	4	CHEMBL2095182, CHEMBL613829, CHEMBL394, CHEMBL614328	NCI/ADR-RES, MCF7S, Tubulin, HCT-116	COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccc(C(=O)c4ccccc4)cc3)OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)cc1
85	CHEMBL1326015	None	5.4	CHEMBL1293227	4	Homo sapiens	4	CHEMBL1293227, CHEMBL340	Cytochrome P450 3A4, Ubiquitin carboxyl-terminal hydrolase 2	CO[C@@H]1[C@H](OC(C)=O)CC(=O)O[C@H](C)C/C=C\C=C/[C@H](O)[C@H](C)C[C@H](CC=O)[C@H]1O[C@H]1O[C@@H](C)[C@@H](O[C@@H]2C[C@](C)(O)[C@H](OC(=O)CC(C)C)[C@H](C)O2)[C@@H](N(C)C)[C@@H]1O
86	CHEMBL2371447	None	7.92	CHEMBL389	4	Mus musculus, Homo sapiens	4	CHEMBL384, CHEMBL389	HT-29, P388	Cc1c2oc3c(C)c(O)c(N)c(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)c(N)c1=O
87	CHEMBL2369146	None	7.62	CHEMBL386	4	Mus musculus	4	CHEMBL386	L1210	Cc1c2oc3c(C)c(OCC4CO4)cc(C(=O)N[C@@H]4C(=O)N[C@@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@H]2C)c(N)c1=O
88	CHEMBL2371444	None	7.17	CHEMBL384	4	Mus musculus, Homo sapiens, Rattus norvegicus	4	CHEMBL384, CHEMBL389, CHEMBL376	HT-29, Rattus norvegicus, P388	Cc1c2oc3c(C)c4oc(-c5ccccc5)nc4c(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)c(N)c1=O
89	CHEMBL400530	None	8.7	CHEMBL4822	4	Homo sapiens	4	CHEMBL2525, CHEMBL2581, CHEMBL4822	Beta-secretase 1, Cathepsin D, Beta secretase 2	CCCN(c1cc2cc(c1)C(=O)N[C@@H](c1ccccc1)CCc1cccc(c1)C[C@@](C)(N)C(=O)OC2)S(C)(=O)=O
90	CHEMBL3978562	None	9.55	CHEMBL2095194	4	Homo sapiens	4	CHEMBL2095194, CHEMBL2319, CHEMBL2820, CHEMBL244	Coagulation factor VII/tissue factor, Coagulation factor XI, Coagulation factor X, Kallikrein 1	CCOP(=O)(O)c1ccc2cc1CN(C)C(=O)[C@H](Nc1ccc3c(N)nccc3c1)c1ccc(c(C)c1)[C@@H](C)COC(=O)N2
91	CHEMBL362592	None	8.35	CHEMBL2525	4	Homo sapiens	4	CHEMBL2525, CHEMBL4822	Beta-secretase 1, Beta secretase 2	CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)NCCCCCCOC(=O)N[C@@H](C(C)C)C(=O)N1)[C@@H](O)C[C@@H](C)C(=O)N[C@H](C(=O)NCc1ccccc1)C(C)C
92	CHEMBL4069575	None	7.64	CHEMBL3991	4	Homo sapiens	4	CHEMBL2319, CHEMBL3991, CHEMBL244	Coagulation factor VII, Coagulation factor X, Kallikrein 1	CCc1cc2ccc1CCOC(=O)Nc1ccc(S(=O)(=O)C(C)C)c(c1)CN(C)C(=O)[C@@H]2Nc1cccc(C(N)=O)c1
93	CHEMBL3410862	None	4.26	CHEMBL399	4	Homo sapiens, None	4	CHEMBL392, CHEMBL612558, CHEMBL399, CHEMBL3879801	HeLa, NON-PROTEIN TARGET, ADMET, A549	COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H](c3ccc(Br)cc3)OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)cc1
94	CHEMBL3823627	None	6.42	CHEMBL400,CHEMBL387	4	Homo sapiens, None	4	CHEMBL400, CHEMBL3879801, CHEMBL614879, CHEMBL387	RKO, NON-PROTEIN TARGET, MCF7, MDA-MB-231	CC(=O)N[C@H](C)[C@@H](O)[C@@H](C)[C@@H]1OC(=O)/C=C/C=C(C)/C=C/[C@]2(C)CCC=C[C@@H]2/C=C(C)/C=C/[C@H]1C
95	CHEMBL4061025	None	8.8	CHEMBL325	4	Homo sapiens	4	CHEMBL1865, CHEMBL3524, CHEMBL325, CHEMBL1937	Histone deacetylase 6, Histone deacetylase 2, Histone deacetylase 4, Histone deacetylase 1	C/C=C1\NC(=O)[C@H](CS)NC(=O)[C@@H](C(C)C)NC(=O)C[C@@H](/C=C/CS)OC(=O)[C@H](C(C)C)NC1=O
96	CHEMBL3317817	None	9.02	CHEMBL325	4	Homo sapiens	4	CHEMBL1829, CHEMBL3192, CHEMBL325, CHEMBL1937	Histone deacetylase 8, Histone deacetylase 2, Histone deacetylase 3, Histone deacetylase 1	CC(C)(C)OC(=O)NCCC[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(n2)CNC(=O)C[C@@H](/C=C/CCS)OC1=O
97	CHEMBL411694	3-DEOXY-2,3-DIDEHYDRO-EPO A	8.06	CHEMBL387	4	Homo sapiens, None	4	CHEMBL3879801, CHEMBL612545, CHEMBL394, CHEMBL387	Unchecked, MCF7, HCT-116, NON-PROTEIN TARGET	C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@@H]2CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)/C=C/C(=O)O1
98	CHEMBL3317818	None	9.21	CHEMBL325	4	Homo sapiens	4	CHEMBL1829, CHEMBL3192, CHEMBL325, CHEMBL1937	Histone deacetylase 8, Histone deacetylase 2, Histone deacetylase 3, Histone deacetylase 1	CC(C)(C)OC(=O)n1cnc(C[C@@H]2NC(=O)[C@]3(C)CSC(=N3)c3csc(n3)CNC(=O)C[C@@H](/C=C/CCS)OC2=O)c1
99	CHEMBL3809352	None	8.4	CHEMBL2319	4	Homo sapiens	4	CHEMBL204, CHEMBL2095194, CHEMBL2319, CHEMBL244	Kallikrein 1, Coagulation factor VII/tissue factor, Coagulation factor X, Thrombin	C[C@@H]1COC(=O)Nc2cccc(c2)CNC(=O)C(Nc2ccc3c(N)nccc3c2)c2ccc1cc2
100	CHEMBL261834	3-DEOXY-EPO A	7.23	CHEMBL387	4	Homo sapiens, None	4	CHEMBL3879801, CHEMBL612545, CHEMBL394, CHEMBL387	Unchecked, MCF7, HCT-116, NON-PROTEIN TARGET	C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@@H]2CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)CCC(=O)O1
101	CHEMBL3410864	None	4.46	CHEMBL399	4	Homo sapiens, None	4	CHEMBL392, CHEMBL3879801, CHEMBL612558, CHEMBL399	HeLa, NON-PROTEIN TARGET, ADMET, A549	COc1ccc(C[C@@H]2NC(=O)/C=C/C[C@@H](c3cccc([N+](=O)[O-])c3)OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)cc1
102	CHEMBL3410857	None	5.0	CHEMBL392	4	Homo sapiens, None	4	CHEMBL392, CHEMBL612558, CHEMBL399, CHEMBL3879801	HeLa, NON-PROTEIN TARGET, ADMET, A549	COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H](c3ccc([N+](=O)[O-])cc3)OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)cc1
103	CHEMBL2323288	None	6.19	CHEMBL1829	4	Homo sapiens	4	CHEMBL1829, CHEMBL1937, CHEMBL325, CHEMBL4145	Histone deacetylase 2, Histone deacetylase 9, Histone deacetylase 3, Histone deacetylase 1	CC(C)[C@@H]1NC(=O)Cn2nnnc2-c2csc(n2)CNC(=O)C[C@@H](/C=C/CCS)OC1=O
104	CHEMBL3410863	None	4.96	CHEMBL392	4	Homo sapiens, None	4	CHEMBL392, CHEMBL3879801, CHEMBL612558, CHEMBL399	HeLa, NON-PROTEIN TARGET, ADMET, A549	COc1ccc(C[C@@H]2NC(=O)/C=C/C[C@@H](c3ccc([N+](=O)[O-])cc3)OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)cc1
105	CHEMBL3410865	None	4.89	CHEMBL392	4	Homo sapiens, None	4	CHEMBL392, CHEMBL3879801, CHEMBL612558, CHEMBL399	HeLa, NON-PROTEIN TARGET, ADMET, A549	COc1ccc(C[C@@H]2NC(=O)/C=C/C[C@@H](c3ccccc3[N+](=O)[O-])OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)cc1
106	CHEMBL1594011	None	5.85	CHEMBL3577	4	Homo sapiens	4	CHEMBL3577, CHEMBL340	Cytochrome P450 3A4, Aldehyde dehydrogenase 1A1	Cc1ccc(S(=O)(=O)N[C@H]2COC(=O)C/C=C\[C@H](C)[C@@H](NS(=O)(=O)c3ccc(C)cc3)COC(=O)C/C=C\[C@@H]2C)cc1
107	CHEMBL123698	None	6.55	CHEMBL387	3	Homo sapiens, None	3	CHEMBL612545, CHEMBL613829, CHEMBL387	NCI/ADR-RES, Unchecked, MCF7	COc1ccc(C[C@H]2NC(=O)/C=C/CC([C@H](C)C3OC3c3ccccc3)OC(=O)[C@@H](CC(C)C)OC(=O)CCNC2=O)cc1Cl
108	CHEMBL3926417	None	7.82	CHEMBL2095194	3	Homo sapiens	3	CHEMBL2095194, CHEMBL2319, CHEMBL2820	Coagulation factor VII/tissue factor, Coagulation factor XI, Kallikrein 1	Cc1cc2ccc1[C@@H](C)COC(=O)Nc1ccc(C(N)=O)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)nccc2c1
109	CHEMBL152512	None	5.0	CHEMBL612545	3	None	3	CHEMBL612545	Unchecked	CC(C)C[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)CCNC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)OC1=O
110	CHEMBL1437681	None	5.95	CHEMBL1293254	3	Homo sapiens, Equus caballus	3	CHEMBL1293224, CHEMBL1293254, CHEMBL3622	Ferritin light chain, Microtubule-associated protein tau, Cytochrome P450 2C19	CO[C@H]1COC(=O)[C@@H](OCc2ccccc2)/C=C\[C@H](C)[C@@H](OC)COC(=O)[C@H](OCc2ccccc2)/C=C\[C@@H]1C
111	CHEMBL4083729	None	8.38	CHEMBL3991	3	Homo sapiens	3	CHEMBL2319, CHEMBL3991, CHEMBL244	Coagulation factor VII, Coagulation factor X, Kallikrein 1	Cc1cc2cc(C)c1CCOC(=O)Nc1ccc(S(=O)(=O)C3CC3)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2cc[nH]c(=O)c2c1
112	CHEMBL452431	CRYPTOPHYCIN 176	8.89	CHEMBL398,CHEMBL614925,CHEMBL614721	3	Homo sapiens	3	CHEMBL614721, CHEMBL398, CHEMBL614925	KB, SK-OV-3, LoVo	CC(C)C[C@@H]1OC(=O)CCNC(=O)[C@@H](Cc2ccc(O)c(Cl)c2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC1=O
113	CHEMBL378483	None	6.54	CHEMBL238	3	Homo sapiens	3	CHEMBL238, CHEMBL222	Dopamine transporter, Norepinephrine transporter	CN1C2CCC1C1COC(=O)CCC3(CCC(=O)Nc4ccc(cc4)C1C2)c1ccccc1-c1ccccc13
114	CHEMBL502895	CRYPTOPHYCIN 16	9.52	CHEMBL398,CHEMBL614721,CHEMBL614925	3	Homo sapiens	3	CHEMBL614721, CHEMBL398, CHEMBL614925	KB, SK-OV-3, LoVo	COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)cc1Cl
115	CHEMBL1354988	None	4.85	CHEMBL1293235	3	Homo sapiens, None	3	CHEMBL1293226, CHEMBL612545, CHEMBL1293235	Unchecked, Lysine-specific demethylase 4D-like, Prelamin-A/C	CCC1OC(=O)C[C@H](O)C(C)[C@@H](O[C@@H]2OC(C)C(O)C(N(C)C)C2O)C(CCN2CC(C)CC(C)C2)CC(C)C(=O)/C=C/C(C)=C\[C@@H]1COC1OC(C)C(O)C(OC)C1OC
116	CHEMBL3349528	None	8.52	CHEMBL614481	3	Homo sapiens, None	3	CHEMBL614481, CHEMBL398, CHEMBL384	HT-29, KB, DA-3 cell line	COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H](C[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1
117	CHEMBL506269	CRYPTOPHYCIN 175	7.0	CHEMBL614721,CHEMBL398,CHEMBL614925	3	Homo sapiens	3	CHEMBL614721, CHEMBL398, CHEMBL614925	KB, SK-OV-3, LoVo	COc1c(Cl)cc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1Cl
118	CHEMBL3235697	None	4.81	CHEMBL2367131	3	Plasmodium falciparum NF54, Trypanosoma cruzi, Trypanosoma brucei rhodesiense	3	CHEMBL612348, CHEMBL2367131, CHEMBL368	Plasmodium falciparum NF54, Trypanosoma cruzi, Trypanosoma brucei rhodesiense	CCC(=O)N[C@@H]1C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)O[C@@H]1C
119	CHEMBL492459	CRYPTOPHYCIN 46	6.12	CHEMBL398,CHEMBL614721,CHEMBL614925	3	Homo sapiens	3	CHEMBL614721, CHEMBL398, CHEMBL614925	KB, SK-OV-3, LoVo	COc1ccc(C[C@@H]2NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1Cl
120	CHEMBL182892	None	7.85	CHEMBL4822,CHEMBL4822	3	Homo sapiens	3	CHEMBL4822	Beta-secretase 1	CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)NC/C=C/CCCOC(=O)N[C@@H](C(C)C)C(=O)N1)[C@@H](O)C[C@@H](C)C(=O)N[C@H](C(=O)NCc1ccccc1)C(C)C
121	CHEMBL166221	None	8.22	CHEMBL614328	3	Homo sapiens	3	CHEMBL613829, CHEMBL394, CHEMBL614328	NCI/ADR-RES, MCF7S, HCT-116	COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H]3O[C@@H]3c3ccc(C(=O)c4ccccc4)cc3)OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)cc1
122	CHEMBL3410859	None	4.82	CHEMBL392	3	Homo sapiens, None	3	CHEMBL392, CHEMBL3879801, CHEMBL399	HeLa, NON-PROTEIN TARGET, A549	COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H](c3ccccc3[N+](=O)[O-])OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)cc1
123	CHEMBL1436444	None	5.5	CHEMBL340,CHEMBL340,CHEMBL340	3	Homo sapiens	3	CHEMBL340	Cytochrome P450 3A4	Cc1ccc(S(=O)(=O)N[C@@H]2COC(=O)C/C=C\[C@@H](C)[C@@H](NS(=O)(=O)c3ccc(C)cc3)COC(=O)C/C=C\[C@H]2C)cc1
124	CHEMBL427947	None	6.45	CHEMBL1293232	3	Homo sapiens	3	CHEMBL1293232, CHEMBL1293224, CHEMBL1293236	ATP-dependent DNA helicase Q1, Microtubule-associated protein tau, Survival motor neuron protein	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O
125	CHEMBL3410868	None	4.25	CHEMBL392	3	Homo sapiens, None	3	CHEMBL392, CHEMBL399, CHEMBL3879801	HeLa, NON-PROTEIN TARGET, A549	COc1ccc(C[C@@H]2NC(=O)/C=C/C[C@@H](c3ccc(Br)cc3)OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)cc1
126	CHEMBL3317810	None	9.54	CHEMBL325	3	Homo sapiens	3	CHEMBL1829, CHEMBL325, CHEMBL1937	Histone deacetylase 2, Histone deacetylase 3, Histone deacetylase 1	C[C@@]12CSC(=N1)c1csc(n1)CNC(=O)C[C@@H](/C=C/CCS)OC(=O)[C@H](Cc1ccccc1)NC2=O
127	CHEMBL3410866	None	4.5	CHEMBL3879801	3	Homo sapiens, None	3	CHEMBL392, CHEMBL3879801, CHEMBL399	HeLa, NON-PROTEIN TARGET, A549	COc1ccc(C[C@@H]2NC(=O)/C=C/C[C@@H](c3ccc(Cl)cc3Cl)OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)cc1
128	CHEMBL1939384	None	9.15	CHEMBL3880	3	Homo sapiens	3	CHEMBL614197, CHEMBL394, CHEMBL3880	HCT-116, Heat shock protein HSP 90-alpha, NCI-N87	Cc1cc(C)c2cc1C(=O)NCCOC(=O)NCCSc1cc-2nc(N)n1
129	CHEMBL1939385	None	9.1	CHEMBL3880	3	Homo sapiens	3	CHEMBL614197, CHEMBL394, CHEMBL3880	HCT-116, Heat shock protein HSP 90-alpha, NCI-N87	Cc1cc(C)c2cc1C(=O)NCCNC(=O)OCCSc1cc-2nc(N)n1
130	CHEMBL3317813	None	7.41	CHEMBL325	3	Homo sapiens	3	CHEMBL1829, CHEMBL325, CHEMBL1937	Histone deacetylase 2, Histone deacetylase 3, Histone deacetylase 1	C[C@@]12CSC(=N1)c1csc(n1)CNC(=O)C[C@@H](/C=C/CCS)OC(=O)[C@H](CC(=O)O)NC2=O
131	CHEMBL393361	None	8.15	CHEMBL2093865	3	Homo sapiens	3	CHEMBL2093865, CHEMBL1865, CHEMBL325	Histone deacetylase 6, Histone deacetylase, Histone deacetylase 1	CC(C)[C@H]1NC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)C[C@@H](/C=C/CCS)OC(=O)CNC1=O
132	CHEMBL3317815	None	8.48	CHEMBL325	3	Homo sapiens	3	CHEMBL1829, CHEMBL325, CHEMBL1937	Histone deacetylase 2, Histone deacetylase 3, Histone deacetylase 1	C[C@@]12CSC(=N1)c1csc(n1)CNC(=O)C[C@@H](/C=C/CCS)OC(=O)[C@H](CCCN)NC2=O
133	CHEMBL3317812	None	9.7	CHEMBL325	3	Homo sapiens	3	CHEMBL1829, CHEMBL325, CHEMBL1937	Histone deacetylase 2, Histone deacetylase 3, Histone deacetylase 1	C[C@@]12CSC(=N1)c1csc(n1)CNC(=O)C[C@@H](/C=C/CCS)OC(=O)[C@H](Cc1c[nH]cn1)NC2=O
134	CHEMBL3317814	None	8.26	CHEMBL325	3	Homo sapiens	3	CHEMBL1829, CHEMBL325, CHEMBL1937	Histone deacetylase 2, Histone deacetylase 3, Histone deacetylase 1	C[C@@]12CSC(=N1)c1csc(n1)CNC(=O)C[C@@H](/C=C/CCS)OC(=O)[C@H](CCN)NC2=O
135	CHEMBL3317811	None	9.68	CHEMBL325	3	Homo sapiens	3	CHEMBL1829, CHEMBL325, CHEMBL1937	Histone deacetylase 2, Histone deacetylase 3, Histone deacetylase 1	C[C@@]12CSC(=N1)c1csc(n1)CNC(=O)C[C@@H](/C=C/CCS)OC(=O)[C@H](Cc1ccc(O)cc1)NC2=O
136	CHEMBL3628318	None	7.33	CHEMBL394	3	Homo sapiens, None	3	CHEMBL394, CHEMBL3879801, CHEMBL613984	NON-PROTEIN TARGET, HCT-116, IGROV-1	CC[C@H]1NC(=O)[C@@H](C(C)C)NC(=O)C[C@@H](/C=C/CCSC(C)=O)OC(=O)CNC(=O)[C@@H](C(C)C)NC1=O
137	CHEMBL2323287	None	4.98	CHEMBL1829	3	Homo sapiens	3	CHEMBL1829, CHEMBL1937, CHEMBL4145	Histone deacetylase 2, Histone deacetylase 9, Histone deacetylase 3	CCCCCCCC(=O)SCC/C=C/[C@@H]1CC(=O)NCc2nc(cs2)-c2nnnn2CC(=O)N[C@@H](C(C)C)C(=O)O1
138	CHEMBL92285	None	9.64	CHEMBL398	3	Homo sapiens, Sus scrofa	3	CHEMBL398, CHEMBL614590, CHEMBL613488	KB, KB 3-1, Sus scrofa	C/C1=C/C[C@@H](c2ccc3sc(C)nc3c2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)CCC1
139	CHEMBL3410861	None	4.52	CHEMBL392	3	Homo sapiens, None	3	CHEMBL392, CHEMBL399, CHEMBL3879801	HeLa, NON-PROTEIN TARGET, A549	COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H](c3c(F)c(F)c(F)c(F)c3F)OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)cc1
140	CHEMBL3410867	None	4.1	CHEMBL612558	3	Homo sapiens, None	3	CHEMBL3879801, CHEMBL612558, CHEMBL399	HeLa, NON-PROTEIN TARGET, ADMET	COc1ccc(C[C@@H]2NC(=O)/C=C/C[C@@H](c3c(F)c(F)c(F)c(F)c3F)OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)cc1
141	CHEMBL3317816	None	8.64	CHEMBL325	3	Homo sapiens	3	CHEMBL1829, CHEMBL325, CHEMBL1937	Histone deacetylase 2, Histone deacetylase 3, Histone deacetylase 1	CC(C)(C)OC(=O)NCC[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(n2)CNC(=O)C[C@@H](/C=C/CCS)OC1=O
142	CHEMBL3410860	None	4.05	CHEMBL399	3	Homo sapiens, None	3	CHEMBL392, CHEMBL3879801, CHEMBL399	HeLa, NON-PROTEIN TARGET, A549	COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H](c3ccc(Cl)cc3Cl)OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)cc1
143	CHEMBL86762	None	7.86	CHEMBL382	2	Homo sapiens	2	CHEMBL382	CCRF-CEM	COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl
144	CHEMBL3903215	None	9.85	CHEMBL3991	2	Homo sapiens	2	CHEMBL3991	Coagulation factor VII	Cc1cc2ccc1[C@@H](C)COC(=O)Nc1cc(F)c(OCCN3CCCC3=O)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)nccc2c1
145	CHEMBL2324842	None	10.67	CHEMBL3879801	2	None	2	CHEMBL3879801	NON-PROTEIN TARGET	COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](CCN=[N+]=[N-])CNC2=O)cc1Cl
146	CHEMBL2324843	None	10.26	CHEMBL3879801	2	None	2	CHEMBL3879801	NON-PROTEIN TARGET	COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@@H](CCN=[N+]=[N-])CNC2=O)cc1Cl
147	CHEMBL3897709	None	9.52	CHEMBL3991	2	Homo sapiens	2	CHEMBL3991	Coagulation factor VII	CCN(Cc1nccs1)C(=O)c1ccc2cc1CN(C)C(=O)[C@H](Nc1ccc3c(N)nccc3c1)c1ccc(c(C)c1)[C@@H](C)COC(=O)N2
148	CHEMBL263425	None	10.3	CHEMBL382,CHEMBL382	2	Homo sapiens	2	CHEMBL382	CCRF-CEM	COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H](O)[C@@H](Cl)c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl
149	CHEMBL554607	None	5.31	CHEMBL392	2	Homo sapiens	2	CHEMBL392, CHEMBL387	MCF7, A549	C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2OC(c3ccc(C(C)C)cc3)=N[C@H]2CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1
150	CHEMBL4113473	None	8.66	CHEMBL3991	2	Homo sapiens	2	CHEMBL3991	Coagulation factor VII	CCN(Cc1nccs1)C(=O)c1ccc2cc1CN(C)C(=O)[C@H](Nc1ccc3c(N)nccc3c1)c1cc(C)c(c(C)c1)C(F)(F)COC(=O)N2
151	CHEMBL2324844	None	9.95	CHEMBL3879801	2	None	2	CHEMBL3879801	NON-PROTEIN TARGET	COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](CCCN=[N+]=[N-])CNC2=O)cc1Cl
152	CHEMBL290814	BAFILOMYCIN A1	7.52	CHEMBL2770	2	Homo sapiens, Gallus gallus	2	CHEMBL4790, CHEMBL2770	Vacuolar ATP synthase subunit S1, Adenosinetriphosphatase	CO/C1=C\C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C/C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](O)[C@H](C)[C@@H](C(C)C)O2)OC1=O
153	CHEMBL533772	None	7.95	CHEMBL364	2	Plasmodium falciparum	2	CHEMBL364	Plasmodium falciparum	COC1=CC(C)=C[C@@H](C)[C@@H](O)[C@H](C)CC(C)=CC=C[C@H](OC)[C@@H](C(C)C(O)[C@H](C)[C@@]2(O)C[C@@H](O)[C@H](C)[C@@H](C(C)C)O2)OC1=O
154	CHEMBL3895397	None	8.74	CHEMBL3991	2	Homo sapiens	2	CHEMBL3991	Coagulation factor VII	COC[C@H](C)S(=O)(=O)c1ccc2cc1CN(C)C(=O)[C@H](Nc1ccc3c(N)ncc(F)c3c1)c1ccc(c(C)c1)[C@@H](C)COC(=O)N2
155	CHEMBL555516	None	6.53	CHEMBL387	2	Homo sapiens	2	CHEMBL392, CHEMBL387	MCF7, A549	CCc1ccc(C2=N[C@H]3CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O[C@H](/C(C)=C/c4csc(C)n4)C[C@@H]3O2)cc1
156	CHEMBL1171466	None	8.35	CHEMBL325	2	Homo sapiens	2	CHEMBL3524, CHEMBL325	Histone deacetylase 4, Histone deacetylase 1	CCCCCCCC(=O)SCC/C=C/[C@@H]1CC(=O)NCc2nc(cs2)C2=N[C@@](Cc3ccccc3)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1
157	CHEMBL350017	None	10.52	CHEMBL372	2	Homo sapiens	2	CHEMBL372	Homo sapiens	COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)C[C@@H](C)NC2=O)cc1Cl
158	CHEMBL3970623	None	9.47	CHEMBL3991	2	Homo sapiens	2	CHEMBL3991	Coagulation factor VII	Cc1cc2ccc1[C@@H](C)COC(=O)Nc1cc(F)c(OC[C@H](O)C3CC3)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)nccc2c1
159	CHEMBL3913920	None	9.36	CHEMBL3991	2	Homo sapiens	2	CHEMBL3991	Coagulation factor VII	[C-]#[N+]C1(COc2c(F)cc3cc2CN(C)C(=O)[C@H](Nc2ccc4c(N)nccc4c2)c2ccc(c(C)c2)[C@@H](C)COC(=O)N3)CC1
160	CHEMBL540728	None	8.72	CHEMBL387	2	Homo sapiens	2	CHEMBL392, CHEMBL387	MCF7, A549	C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2OC(c3ccc(C)cc3)=N[C@H]2CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1
161	CHEMBL3949417	None	9.51	CHEMBL3991	2	Homo sapiens	2	CHEMBL3991	Coagulation factor VII	Cc1cc2ccc1[C@@H](C)COC(=O)Nc1ccc(S(=O)(=O)C(C)(C)C)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)nccc2c1
162	CHEMBL2324846	None	9.6	CHEMBL3879801	2	None	2	CHEMBL3879801	NON-PROTEIN TARGET	COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](CCCCN=[N+]=[N-])CNC2=O)cc1Cl
163	CHEMBL3920165	None	9.7	CHEMBL3991	2	Homo sapiens	2	CHEMBL3991	Coagulation factor VII	COCCCOc1c(F)cc2cc1CN(C)C(=O)[C@H](Nc1ccc3c(N)nccc3c1)c1ccc(c(C)c1)[C@@H](C)COC(=O)N2
164	CHEMBL3969432	None	9.85	CHEMBL3991	2	Homo sapiens	2	CHEMBL3991	Coagulation factor VII	COC[C@H](C)Oc1c(F)cc2cc1CN(C)C(=O)[C@H](Nc1ccc3c(N)nccc3c1)c1ccc(c(C)c1)[C@@H](C)COC(=O)N2
165	CHEMBL3951355	None	8.92	CHEMBL3991	2	Homo sapiens	2	CHEMBL3991	Coagulation factor VII	Cc1cc2ccc1[C@@H](C)COC(=O)Nc1ccc(C(=O)N3CCC3)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)nccc2c1
166	CHEMBL2324845	None	7.94	CHEMBL3879801	2	None	2	CHEMBL3879801	NON-PROTEIN TARGET	COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@@H](CCCN=[N+]=[N-])CNC2=O)cc1Cl
167	CHEMBL4094032	None	9.87	CHEMBL612545	2	None	2	CHEMBL612545	Unchecked	Cc1c2oc3c(C)ccc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5[C@@H](C)C[C@H](O)[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CC(=O)C[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C)C(=O)O[C@@H]2CCl)c(N)c1=O
168	CHEMBL2324837	None	10.02	CHEMBL3879801	2	None	2	CHEMBL3879801	NON-PROTEIN TARGET	C=CCOC(=O)C[C@@H]1CNC(=O)[C@@H](Cc2ccc(OC)c(Cl)c2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC(=O)[C@H](CC(C)C)OC1=O
169	CHEMBL2324840	None	9.83	CHEMBL3879801	2	None	2	CHEMBL3879801	NON-PROTEIN TARGET	C=CCOCCC[C@@H]1CNC(=O)[C@@H](Cc2ccc(OC)c(Cl)c2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC(=O)[C@H](CC(C)C)OC1=O
170	CHEMBL3956442	None	9.21	CHEMBL3991	2	Homo sapiens	2	CHEMBL3991	Coagulation factor VII	CC[C@@H](C(=O)O)c1ccc2cc1CN(C)C(=O)[C@H](Nc1ccc3c(N)ncc(F)c3c1)c1ccc(c(C)c1)[C@@H](C)COC(=O)N2
171	CHEMBL439714	None	10.15	CHEMBL389	2	Mus musculus	2	CHEMBL389	P388	Cc1c2oc3c(C)c4oc(-c5ccccc5)nc4c(C(=O)N[C@H]4C(=O)N[C@@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N(C)[C@H](C(C)C)C(=O)O[C@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)c(N)c1=O
172	CHEMBL2369548	None	6.3	CHEMBL4830	2	Mus musculus	2	CHEMBL4830	Growth factor receptor-bound protein 2	Cc1c2oc3c(C)ccc(C(=O)N[C@@H]4C(=O)N[C@H](Cc5ccc(O)cc5)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N[C@@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](Cc3ccc(O)cc3)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N[C@@H](C(C)C)C(=O)O[C@@H]2C)c(N)c1=O
173	CHEMBL267466	None	8.49	CHEMBL389	2	Mus musculus	2	CHEMBL389	P388	Cc1c2oc3c(C)c4oc(-c5ccccc5)nc4c(C(=O)N[C@H]4C(=O)N[C@@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)NCC(=O)N(C)[C@H](C(C)C)C(=O)O[C@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@@H]3C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)O[C@@H]2C)cc1=O
174	CHEMBL2372386	None	7.51	CHEMBL386	2	Mus musculus	2	CHEMBL386	L1210	Cc1c2oc3c(C)c(OC[C@H]4CO4)cc(C(=O)N[C@@H]4C(=O)N[C@@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@H]2C)c(N)c1=O
175	CHEMBL4073381	None	9.8	CHEMBL612545	2	None	2	CHEMBL612545	Unchecked	Cc1c2oc3c(C)ccc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5[C@@H](C)CC[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3[C@@H](C)CC[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)c(N)c1=O
176	CHEMBL442301	None	10.05	CHEMBL389	2	Mus musculus	2	CHEMBL389	P388	Cc1nc2c(C(=O)N[C@H]3C(=O)N[C@@H](C(C)C)C(=O)N4CCC[C@H]4C(=O)N(C)CC(=O)N(C)[C@H](C(C)C)C(=O)O[C@H]3C)c3nc4c(C(=O)N[C@@H]5C(=O)N[C@H](C(C)C)C(=O)N6CCC[C@@H]6C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]5C)c(N)c(=O)c(C)c-4oc3c(C)c2o1
177	CHEMBL3326016	None	4.4	CHEMBL387	2	Homo sapiens	2	CHEMBL387	MCF7	CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCCOC(=O)CCCCCCCCC(=O)O[C@H]1[C@@H](C)CCC[C@H]2O[C@H]2C[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@@H]1C
178	CHEMBL406071	None	8.96	CHEMBL389	2	Mus musculus	2	CHEMBL389	P388	Cc1c2oc3c(C)c(O)c(N)c(C(=O)N[C@H]4C(=O)N[C@@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N(C)[C@H](C(C)C)C(=O)O[C@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)c(N)c1=O
179	CHEMBL385161	None	8.29	CHEMBL389,CHEMBL389	2	Mus musculus	2	CHEMBL389	P388	Cc1c2oc3c(C)c(O)c(N)c(C(=O)N[C@H]4C(=O)N[C@@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N(C)[C@H](C(C)C)C(=O)O[C@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)cc1=O
180	CHEMBL602573	None	7.68	CHEMBL364	2	Plasmodium falciparum	2	CHEMBL364	Plasmodium falciparum	Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)N[C@@H](C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)N[C@H](C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O
181	CHEMBL3326015	None	6.3	CHEMBL387	2	Homo sapiens	2	CHEMBL387	MCF7	CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCCOC(=O)CCCSSCCCC(=O)O[C@H]1[C@@H](C)CCC[C@H]2O[C@H]2C[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@@H]1C
182	CHEMBL4098358	None	7.29	CHEMBL612545	2	None	2	CHEMBL612545	Unchecked	Cc1c2oc3c(C)ccc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5[C@@H](C)C[C@H](O)[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CC(=O)C[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C)C(=O)O[C@@H]2CO)c(N)c1=O
183	CHEMBL4073368	None	8.56	CHEMBL612545	2	None	2	CHEMBL612545	Unchecked	Cc1c2oc3c(C)ccc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5[C@@H](C)C[C@H](O)[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CC(=O)C[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C)C(=O)O[C@@H]2C)c(N)c1=O
184	CHEMBL4099462	None	9.33	CHEMBL612545	2	None	2	CHEMBL612545	Unchecked	Cc1c2oc3c(C)ccc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5[C@@H](C)CC[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CC(=O)C[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C)C(=O)O[C@@H]2C)c(N)c1=O
185	CHEMBL3581385	None	4.72	CHEMBL383	2	Homo sapiens	2	CHEMBL399, CHEMBL383	HL-60, HeLa	CC(=O)O[C@@H](CCCC[C@@H](O)CC(=O)N[C@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)N[C@@H]1C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCC[C@H]2C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H]1C)C(C)C
186	CHEMBL2324848	None	9.51	CHEMBL3879801	2	None	2	CHEMBL3879801	NON-PROTEIN TARGET	COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@@H](CCCn3cc(C(C)(C)O)nn3)CNC2=O)cc1Cl
187	CHEMBL2324847	None	10.0	CHEMBL3879801	2	None	2	CHEMBL3879801	NON-PROTEIN TARGET	COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](CCCn3cc(C(C)(C)O)nn3)CNC2=O)cc1Cl
188	CHEMBL1305053	None	5.1	CHEMBL1293303	2	Schistosoma mansoni, Influenza A virus	2	CHEMBL6110, CHEMBL1293303	Thioredoxin glutathione reductase, Nonstructural protein 1	CCC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@@H]2[C@@H](C)O[C@H](O[C@@H]3[C@@H](OC)[C@H](OC(=O)CC)CC(=O)O[C@H](C)CC=CC=C[C@@H](O)[C@H](C)C[C@@H]3CC=O)[C@H](O)[C@H]2N(C)C)C[C@@]1(C)O
189	CHEMBL2324839	None	9.36	CHEMBL3879801	2	None	2	CHEMBL3879801	NON-PROTEIN TARGET	C=CCOC(=O)CCC[C@@H]1CNC(=O)[C@@H](Cc2ccc(OC)c(Cl)c2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC(=O)[C@H](CC(C)C)OC1=O
190	CHEMBL2324841	None	10.28	CHEMBL3879801	2	None	2	CHEMBL3879801	NON-PROTEIN TARGET	C=CCOCCC[C@H]1CNC(=O)[C@@H](Cc2ccc(OC)c(Cl)c2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC(=O)[C@H](CC(C)C)OC1=O
191	CHEMBL3892246	None	9.64	CHEMBL3991	2	Homo sapiens	2	CHEMBL3991	Coagulation factor VII	Cc1cc2ccc1[C@@H](C)COC(=O)Nc1cc(F)c(O[C@@H]3COC[C@@H]3O)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)nccc2c1
192	CHEMBL4114547	None	8.96	CHEMBL3991	2	Homo sapiens	2	CHEMBL3991	Coagulation factor VII	CCS(=O)(=O)c1ccc2cc1CNC(=O)[C@H](Nc1ccc3c(N)nccc3c1)c1cc(C)c(c(C)c1)CCOC(=O)N2
193	CHEMBL3930738	None	10.7	CHEMBL3991	2	Homo sapiens	2	CHEMBL3991	Coagulation factor VII	Cc1cc2ccc1[C@@H](C)COC(=O)Nc1cc(F)c(O[C@H]3CCOC3)c(c1)CN(C)C(=O)C2Nc1ccc2c(N)nccc2c1
194	CHEMBL93904	None	9.34	CHEMBL614590	2	Homo sapiens	2	CHEMBL398, CHEMBL614590	KB, KB 3-1	C/C1=C/C[C@@H](c2ccc3c(c2)ncn3C)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)CCC1
195	CHEMBL328208	None	9.85	CHEMBL614590	2	Homo sapiens	2	CHEMBL398, CHEMBL614590	KB, KB 3-1	Cc1nc2cc([C@@H]3C[C@@H]4O[C@]4(C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O3)ccc2n1C
196	CHEMBL95328	None	9.68	CHEMBL614590	2	Homo sapiens	2	CHEMBL398, CHEMBL614590	KB, KB 3-1	C/C1=C/C[C@@H](c2ccc3c(c2)nc(C)n3C)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)CCC1
197	CHEMBL328224	None	9.42	CHEMBL398	2	Homo sapiens	2	CHEMBL398, CHEMBL614590	KB, KB 3-1	C/C1=C/C[C@@H](c2ccc3cccnc3c2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)CCC1
198	CHEMBL400438	None	8.7	CHEMBL4822,CHEMBL4822	2	Homo sapiens	2	CHEMBL4822	Beta-secretase 1	CN(c1cc2cc(c1)C(=O)N[C@@H](c1ccccc1)CCc1cccc(c1)C[C@@](C)(N)C(=O)OC2)S(C)(=O)=O
199	CHEMBL4108209	None	7.96	CHEMBL3991	2	Homo sapiens	2	CHEMBL3991	Coagulation factor VII	CCS(=O)(=O)c1ccc2cc1CNC(=O)[C@H](Nc1ccc3c(N)nccc3c1)c1ccc(cc1)CCOC(=O)N2
200	CHEMBL3809909	None	8.85	CHEMBL2095194	2	Homo sapiens	2	CHEMBL2095194, CHEMBL2319	Coagulation factor VII/tissue factor, Kallikrein 1	CC1(C)COC(=O)Nc2cccc(c2)CNC(=O)[C@H](Nc2ccc3c(N)nccc3c2)c2ccc1cc2
201	CHEMBL3809344	None	7.51	CHEMBL2319	2	Homo sapiens	2	CHEMBL2095194, CHEMBL2319	Coagulation factor VII/tissue factor, Kallikrein 1	CC1(C)COC(=O)Nc2cccc(c2)CNC(=O)[C@@H](Nc2ccc3c(N)nccc3c2)c2ccc1cc2
202	CHEMBL3426551	None	8.43	CHEMBL387	2	Homo sapiens, None	2	CHEMBL3879801, CHEMBL387	NON-PROTEIN TARGET, MCF7	CO[C@H]1/C=C(/C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O[C@@H]1/C(C)=C/c1csc(C)n1
203	CHEMBL1173194	None	7.86	CHEMBL325	2	Homo sapiens	2	CHEMBL3524, CHEMBL325	Histone deacetylase 4, Histone deacetylase 1	CCCCCCCC(=O)SCC/C=C/[C@@H]1CC(=O)NCc2nc(cs2)C2=N[C@@H](CS2)C(=O)N[C@@H](C(C)C)C(=O)O1
204	CHEMBL96115	None	9.89	CHEMBL614590	2	Homo sapiens	2	CHEMBL398, CHEMBL614590	KB, KB 3-1	C[C@H]1CCC[C@@]2(C)O[C@H]2C[C@@H](c2ccc3c(c2)ncn3C)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O
205	CHEMBL92925	None	10.05	CHEMBL398	2	Homo sapiens	2	CHEMBL398, CHEMBL614590	KB, KB 3-1	Cc1nc2cc([C@@H]3C[C@@H]4O[C@]4(C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O3)ccc2s1
206	CHEMBL3809993	None	6.81	CHEMBL2319	2	Homo sapiens	2	CHEMBL2095194, CHEMBL2319	Coagulation factor VII/tissue factor, Kallikrein 1	CN1Cc2cccc(c2)NC(=O)OCC(C)(C)c2ccc(cc2)[C@H](Nc2ccc3c(N)nccc3c2)C1=O
207	CHEMBL3092472	None	5.48	CHEMBL3879801	2	Homo sapiens, None	2	CHEMBL390, CHEMBL3879801	NON-PROTEIN TARGET, PC-3	CC[C@@H]1/C=C/[C@H](C(C)O)OC(=O)/C(C)=C\[C@H]2C(=O)NC3=CC(=O)c4c(cc(C)c(O)c4C(=O)CC1)[C@@]32O
208	CHEMBL2093007	None	5.48	CHEMBL1937	2	Homo sapiens	2	CHEMBL325, CHEMBL1937	Histone deacetylase 2, Histone deacetylase 1	C/C=C1\NC(=O)[C@@H](CSC)NC(=O)[C@@H](C(C)C)CC(=O)C[C@@H](/C=C/CCSC)OC(=O)[C@H](C(C)C)NC1=O
209	CHEMBL601144	None	7.59	CHEMBL364	2	Plasmodium falciparum	2	CHEMBL364	Plasmodium falciparum	CC1=CC[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)CCC1
210	CHEMBL3334620	None	7.11	CHEMBL400	2	Homo sapiens	2	CHEMBL400, CHEMBL387	MCF7, MDA-MB-231	CC(C)[C@@H]1C[C@H](O)[C@H](C)C[C@H](C)C[C@H](C)C(=O)NCC(=O)N(C)[C@H](Cc2ccc(O)c(I)c2)C(=O)O1
211	CHEMBL582086	None	6.81	CHEMBL364	2	Plasmodium falciparum	2	CHEMBL364	Plasmodium falciparum	C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@@H]2CCC[C@H](C)C(O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1
212	CHEMBL235300	None	7.26	CHEMBL387	2	Homo sapiens	2	CHEMBL2093865, CHEMBL387	MCF7, Histone deacetylase	CC(=O)SCC/C=C/[C@@H]1CC(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N[C@H](C(C)C)C(=O)NCC(=O)O1
213	CHEMBL3287006	None	7.11	CHEMBL325	2	Homo sapiens	2	CHEMBL1829, CHEMBL325	Histone deacetylase 3, Histone deacetylase 1	CC(C)[C@@H]1NC(=O)c2csc(n2)-c2csc(n2)CNC(=O)C[C@@H](/C=C/CCS)OC1=O
214	CHEMBL1435684	None	6.8	CHEMBL3622,CHEMBL3622	2	Homo sapiens	2	CHEMBL3622	Cytochrome P450 2C19	CO[C@H]1COC(=O)CCC[C@H](C)[C@@H](OC)COC(=O)C/C=C\[C@@H]1C
215	CHEMBL1475395	None	5.4	CHEMBL1293224	2	Homo sapiens	2	CHEMBL1293224	Microtubule-associated protein tau	CO[C@H]1COC(=O)C/C=C\[C@H](C)[C@@H](OC)COC(=O)C/C=C\[C@@H]1C
216	CHEMBL3986081	None	10.3	CHEMBL3991	2	Homo sapiens	2	CHEMBL3991	Coagulation factor VII	Cc1cc2ccc1[C@@H](C)COC(=O)Nc1cc(F)c(O[C@@H]3CCOC3)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)nccc2c1
217	CHEMBL3907376	None	7.7	CHEMBL2095194	2	Homo sapiens	2	CHEMBL2095194, CHEMBL2319	Coagulation factor VII/tissue factor, Kallikrein 1	Cc1cc2ccc1[C@@H](C)COC(=O)Nc1cccc(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)nccc2c1
218	CHEMBL1553405	None	5.5	CHEMBL289	2	Homo sapiens	2	CHEMBL289, CHEMBL4801	Cytochrome P450 2D6, Caspase-1	CO[C@@H]1COC(=O)C/C=C\[C@H](C)[C@@H](OC)COC(=O)CCC[C@@H]1C
219	CHEMBL3808801	None	8.89	CHEMBL2095194	2	Homo sapiens	2	CHEMBL2095194, CHEMBL2319	Coagulation factor VII/tissue factor, Kallikrein 1	CN1Cc2cccc(c2)NC(=O)OCC(C)(C)c2ccc(cc2)[C@@H](Nc2ccc3c(N)nccc3c2)C1=O
220	CHEMBL3973659	None	9.55	CHEMBL3991	2	Homo sapiens	2	CHEMBL3991	Coagulation factor VII	Cc1cc2ccc1[C@@H](CF)COC(=O)Nc1ccc(S(=O)(=O)C3CC3)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)nccc2c1
221	CHEMBL1171465	None	6.79	CHEMBL325	2	Homo sapiens	2	CHEMBL3524, CHEMBL325	Histone deacetylase 4, Histone deacetylase 1	CCCCCCCC(=O)SCC/C=C/[C@@H]1CC(=O)NCc2nc(cs2)C2=N[C@@](CC)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1
222	CHEMBL1915490	PORPOISAMIDE A	4.6	CHEMBL394	2	Homo sapiens	2	CHEMBL615023, CHEMBL394	U2OS, HCT-116	CCCCC[C@H]1NC(=O)[C@H](C)NC(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)OC(=O)[C@H]1C
223	CHEMBL1915491	PORPOISAMIDE B	4.68	CHEMBL394	2	Homo sapiens	2	CHEMBL615023, CHEMBL394	U2OS, HCT-116	CCCCC[C@H]1NC(=O)[C@H](C)NC(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)OC(=O)[C@@H]1C
224	CHEMBL558945	None	7.79	CHEMBL392	2	Homo sapiens	2	CHEMBL392, CHEMBL387	MCF7, A549	C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2OC(c3ccccc3)=N[C@H]2CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1
225	CHEMBL3907868	None	8.92	CHEMBL3991	2	Homo sapiens	2	CHEMBL3991	Coagulation factor VII	Cc1cc2ccc1[C@@H](C)COC(=O)Nc1ccc(S(=O)(=O)C(C)C)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)ncc(F)c2c1
226	CHEMBL3977297	None	9.85	CHEMBL3991	2	Homo sapiens	2	CHEMBL3991	Coagulation factor VII	Cc1cc2ccc1[C@@H](C)COC(=O)Nc1cc(F)c(O[C@@H](C)CO)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)nccc2c1
227	CHEMBL3915633	None	9.77	CHEMBL3991	2	Homo sapiens	2	CHEMBL3991	Coagulation factor VII	Cc1cc2ccc1[C@@H](C)COC(=O)Nc1cc(F)c(O[C@H](C)CO)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)nccc2c1
228	CHEMBL3983744	None	9.34	CHEMBL3991	2	Homo sapiens	2	CHEMBL3991	Coagulation factor VII	Cc1cc2ccc1[C@@H](C)COC(=O)Nc1cc(F)c(OC[C@H](C)O)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)nccc2c1
229	CHEMBL3908500	None	9.44	CHEMBL3991	2	Homo sapiens	2	CHEMBL3991	Coagulation factor VII	Cc1cc2ccc1[C@@H](C)COC(=O)Nc1cc(F)c(S(=O)(=O)C(C)C)c(c1)CN(C)C(=O)[C@@H]2Nc1cc(F)c2c(N)nccc2c1
230	CHEMBL3967595	None	9.85	CHEMBL3991	2	Homo sapiens	2	CHEMBL3991	Coagulation factor VII	Cc1cc2ccc1[C@@H](C)COC(=O)Nc1cc(F)c(S(=O)(=O)C(C)C)c(c1)CN(C)C(=O)[C@@H]2Nc1cc2ccnc(N)c2cc1F
231	CHEMBL3979309	None	9.05	CHEMBL3991	2	Homo sapiens	2	CHEMBL3991	Coagulation factor VII	Cc1cc2ccc1[C@@H](C)COC(=O)Nc1ccc([C@@H](CC(F)F)C(=O)O)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)ncc(F)c2c1
232	CHEMBL3906646	None	9.82	CHEMBL3991	2	Homo sapiens	2	CHEMBL3991	Coagulation factor VII	Cc1cc2ccc1[C@@H](C)COC(=O)Nc1cc(F)c(OC(CF)CF)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)nccc2c1
233	CHEMBL554564	None	9.04	CHEMBL392	2	Homo sapiens	2	CHEMBL392, CHEMBL387	MCF7, A549	C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2OC(c3cccnc3)=N[C@H]2CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1
234	CHEMBL4110036	None	7.42	CHEMBL3991	2	Homo sapiens	2	CHEMBL3991	Coagulation factor VII	CC(C)S(=O)(=O)c1ccc2cc1CN(C)C(=O)[C@H](Nc1cc(F)c3c(N)nccc3c1)c1ccc(cc1)CCOC(=O)N2
235	CHEMBL3901206	None	9.6	CHEMBL3991	2	Homo sapiens	2	CHEMBL3991	Coagulation factor VII	COc1cc2c(F)cc1[C@@H](C)COC(=O)Nc1ccc(S(=O)(=O)C3CC3)c(c1)CN(C)C(=O)[C@@H]2Nc1cc2ccnc(N)c2cc1F
236	CHEMBL3939509	None	8.64	CHEMBL3991	2	Homo sapiens	2	CHEMBL3991	Coagulation factor VII	CCS(=O)(=O)c1ccc2cc1CN(C)C(=O)[C@H](Nc1ccc3c(N)ncc(F)c3c1)c1ccc(c(C)c1)[C@@H](C)COC(=O)N2
237	CHEMBL3902759	None	9.92	CHEMBL3991	2	Homo sapiens	2	CHEMBL3991	Coagulation factor VII	Cc1cc2ccc1[C@@H](C)COC(=O)Nc1ccc(C3(c4nnn[nH]4)CC3)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)nccc2c1
238	CHEMBL3961226	None	9.77	CHEMBL3991	2	Homo sapiens	2	CHEMBL3991	Coagulation factor VII	Cc1cc2ccc1[C@@H](C)COC(=O)Nc1cc(F)c(S(=O)(=O)C3CC3)c(c1)CN(C)C(=O)[C@@H]2Nc1cc2ccnc(N)c2cc1F
239	CHEMBL4106751	None	8.7	CHEMBL3991	2	Homo sapiens	2	CHEMBL3991	Coagulation factor VII	Cc1cc2cc(C)c1C(F)(F)COC(=O)Nc1ccc(S(=O)(=O)C3CC3)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)nccc2c1
240	CHEMBL3922904	None	9.3	CHEMBL3991	2	Homo sapiens	2	CHEMBL3991	Coagulation factor VII	Cc1cc2ccc1[C@@H](C(F)F)COC(=O)Nc1ccc(S(=O)(=O)C3CC3)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)nccc2c1
241	CHEMBL3917941	None	9.18	CHEMBL3991	2	Homo sapiens	2	CHEMBL3991	Coagulation factor VII	Cc1cc2ccc1[C@@H](C)COC(=O)Nc1cc(F)c(S(=O)(=O)C3CC3)c(c1)CN(C)C(=O)[C@@H]2Nc1cc(F)c2c(N)nccc2c1
242	CHEMBL122232	None	8.06	CHEMBL382	1	Homo sapiens	1	CHEMBL382	CCRF-CEM	CCCC1(CCC)CNC(=O)[C@@H](Cc2ccc(OC)c(Cl)c2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H](O)[C@@H](Cl)c2ccccc2)OC(=O)[C@H](CC(C)C)OC1=O
243	CHEMBL2324838	None	8.22	CHEMBL3879801	1	None	1	CHEMBL3879801	NON-PROTEIN TARGET	C=CCOC(=O)C[C@H]1CNC(=O)[C@@H](Cc2ccc(OC)c(Cl)c2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC(=O)[C@H](CC(C)C)OC1=O
244	CHEMBL410881	None	7.2	CHEMBL382	1	Homo sapiens	1	CHEMBL382	CCRF-CEM	COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)C3(CCCCC3)CNC2=O)cc1Cl
245	CHEMBL122051	None	6.96	CHEMBL382	1	Homo sapiens	1	CHEMBL382	CCRF-CEM	COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H](O)[C@@H](Cl)c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)C3(CCCCC3)CNC2=O)cc1Cl
246	CHEMBL3251865	None	5.68	CHEMBL612545	1	None	1	CHEMBL612545	Unchecked	CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(C)=O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](OC(C)=O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1O
247	CHEMBL3251855	None	5.17	CHEMBL612545	1	None	1	CHEMBL612545	Unchecked	CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(C)=O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1OC(C)=O
248	CHEMBL3244597	None	5.2	CHEMBL612545	1	None	1	CHEMBL612545	Unchecked	CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](OC(C)=O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1OC(C)=O
249	CHEMBL3251853	None	5.96	CHEMBL612545	1	None	1	CHEMBL612545	Unchecked	CCCC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@@H]3[C@@H](OC)[C@H](O)CC(=O)O[C@H](C)C/C=C/C=C/[C@H](O)[C@H](C)C[C@@H]3CC=O)[C@H](O)[C@H]2N(C)C)C[C@@]1(C)O
250	CHEMBL351974	None	9.03	CHEMBL372	1	Homo sapiens	1	CHEMBL372	Homo sapiens	COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)C[C@@H](c3ccccc3)NC2=O)cc1Cl
251	CHEMBL262809	None	8.07	CHEMBL382	1	Homo sapiens	1	CHEMBL382	CCRF-CEM	CCCC1(CCC)CNC(=O)[C@@H](Cc2ccc(OC)c(Cl)c2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC(=O)[C@H](CC(C)C)OC1=O
252	CHEMBL349357	None	8.28	CHEMBL372	1	Homo sapiens	1	CHEMBL372	Homo sapiens	COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)C[C@@H](Cc3ccccc3)NC2=O)cc1Cl
253	CHEMBL3251854	None	5.72	CHEMBL612545	1	None	1	CHEMBL612545	Unchecked	CCC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@@H]3[C@@H](OC)[C@H](OC(C)=O)CC(=O)O[C@H](C)C/C=C/C=C/[C@H](O)[C@H](C)C[C@@H]3CC=O)[C@H](O)[C@H]2N(C)C)C[C@@]1(C)O
254	CHEMBL3244603	None	5.89	CHEMBL612545	1	None	1	CHEMBL612545	Unchecked	CCCC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@@H]3[C@@H](OC)[C@H](O)CC(=O)O[C@H](C)C/C=C/C=C/[C@H](OC(=O)C(Cl)Cl)[C@H](C)C[C@@H]3CC=O)[C@H](O)[C@H]2N(C)C)C[C@@]1(C)O
255	CHEMBL3244602	None	6.05	CHEMBL612545	1	None	1	CHEMBL612545	Unchecked	CCCC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@@H]3[C@@H](OC)[C@H](O)CC(=O)O[C@H](C)C/C=C/C=C/[C@H](OC(=O)CCl)[C@H](C)C[C@@H]3CC=O)[C@H](O)[C@H]2N(C)C)C[C@@]1(C)O
256	CHEMBL3251866	None	6.05	CHEMBL612545	1	None	1	CHEMBL612545	Unchecked	CCCC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@@H]3[C@@H](OC)[C@H](O)CC(=O)O[C@H](C)C/C=C/C=C/[C@H](OC(C)=O)[C@H](C)C[C@@H]3CC=O)[C@H](O)[C@H]2N(C)C)C[C@@]1(C)O
257	CHEMBL3251858	None	4.83	CHEMBL612545	1	None	1	CHEMBL612545	Unchecked	CCCC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@H]2[C@H](N(C)C)[C@@H](OC(C)=O)[C@H](O[C@@H]3[C@@H](OC)[C@H](O)CC(=O)O[C@H](C)C/C=C/C=C/[C@H](O)[C@H](C)C[C@@H]3CC=O)O[C@@H]2C)C[C@@]1(C)O
258	CHEMBL1436846	None	5.0	CHEMBL1293227	1	Homo sapiens	1	CHEMBL1293227	Ubiquitin carboxyl-terminal hydrolase 2	CCC(=O)O[C@@H]1CC(=O)O[C@H](C)C/C=C\C=C/[C@H](O)[C@H](C)C[C@H](CC=O)[C@@H](O[C@H]2O[C@@H](C)[C@@H](O[C@@H]3C[C@](C)(O)[C@H](OC(=O)CC)[C@H](C)O3)[C@@H](N(C)C)[C@@H]2O)[C@@H]1OC
259	CHEMBL1908336	MIDECAMYCIN	4.84	CHEMBL6020	1	Homo sapiens	1	CHEMBL6020	Bile salt export pump	CCOC(=O)[C@@H]1CC(=O)O[C@H](C)C/C=C/C=C/[C@H](O)[C@H](C)C[C@H](CC=O)[C@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@H]1OC
260	CHEMBL540678	None	8.52	CHEMBL4829	1	Homo sapiens	1	CHEMBL4829	Acetyl-CoA carboxylase 2	CO[C@H]1CCCC[C@@H](c2ccccc2)OC(=O)[C@@H](C)[C@@]2(O)O[C@@H]([C@@H](C)/C=C/[C@H]1OC(=O)CCC1=[N+]3C(=Cc4c(C)cc(C)n4[B-]3(F)F)C=C1)[C@@H](C)[C@H](O)[C@H]2OC
261	CHEMBL314688	None	6.49	CHEMBL382	1	Homo sapiens	1	CHEMBL382	CCRF-CEM	CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2cccc3ccccc23)NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H]2O[C@H]2c2ccccc2)OC1=O
262	CHEMBL3251867	None	5.77	CHEMBL612545	1	None	1	CHEMBL612545	Unchecked	CCCC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@@H]3[C@@H](OC)[C@H](O)CC(=O)O[C@H](C)C/C=C/C=C/[C@H](OC(=O)CC)[C@H](C)C[C@@H]3CC=O)[C@H](O)[C@H]2N(C)C)C[C@@]1(C)O
263	CHEMBL3251859	None	4.86	CHEMBL612545	1	None	1	CHEMBL612545	Unchecked	CCCC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@H]2[C@H](N(C)C)[C@@H](OC(=O)CC)[C@H](O[C@@H]3[C@@H](OC)[C@H](O)CC(=O)O[C@H](C)C/C=C/C=C/[C@H](O)[C@H](C)C[C@@H]3CC=O)O[C@@H]2C)C[C@@]1(C)O
264	CHEMBL3251852	None	5.92	CHEMBL612545	1	None	1	CHEMBL612545	Unchecked	CCCC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@@H]3[C@@H](OC)[C@H](OC(C)=O)CC(=O)O[C@H](C)C/C=C/C=C/[C@H](O)[C@H](C)C[C@@H]3CC=O)[C@H](O)[C@H]2N(C)C)C[C@@]1(C)O
265	CHEMBL318975	None	8.7	CHEMBL382	1	Homo sapiens	1	CHEMBL382	CCRF-CEM	COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3cc(C)ccc3C)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl
266	CHEMBL86696	None	7.46	CHEMBL382	1	Homo sapiens	1	CHEMBL382	CCRF-CEM	CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2cccc3ccccc23)NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC1=O
267	CHEMBL328454	None	6.06	CHEMBL382	1	Homo sapiens	1	CHEMBL382	CCRF-CEM	CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H]2O[C@H]2c2ccccc2)OC1=O
268	CHEMBL294511	None	6.57	CHEMBL243	1	Human immunodeficiency virus 1	1	CHEMBL243	Human immunodeficiency virus type 1 protease	O=C(NC(Cc1ccccc1)C(O)CN1CCCCCCCCCCCCC(c2ccccc2)OC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12
269	CHEMBL3251869	None	5.96	CHEMBL612545	1	None	1	CHEMBL612545	Unchecked	CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](OC(C)=O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1O
270	CHEMBL3244596	None	5.55	CHEMBL612545	1	None	1	CHEMBL612545	Unchecked	CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](OC(C)=O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1O
271	CHEMBL3251856	None	4.97	CHEMBL612545	1	None	1	CHEMBL612545	Unchecked	CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1OC(C)=O
272	CHEMBL435458	None	6.06	CHEMBL372	1	Homo sapiens	1	CHEMBL372	Homo sapiens	COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)c3ccccc3NC2=O)cc1Cl
273	CHEMBL430656	None	9.1	CHEMBL382	1	Homo sapiens	1	CHEMBL382	CCRF-CEM	COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccc(CC(=O)O)cc3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl
274	CHEMBL423091	None	8.89	CHEMBL372	1	Homo sapiens	1	CHEMBL372	Homo sapiens	COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@@H]3CCCCC3NC2=O)cc1Cl
275	CHEMBL411325	None	9.52	CHEMBL382	1	Homo sapiens	1	CHEMBL382	CCRF-CEM	COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)C3(CCCC3)CNC2=O)cc1Cl
276	CHEMBL406057	None	10.43	CHEMBL382	1	Homo sapiens	1	CHEMBL382	CCRF-CEM	COC(=O)c1ccc([C@H](Cl)[C@H](O)[C@@H](C)[C@@H]2C/C=C/C(=O)N[C@H](Cc3ccc(OC)c(Cl)c3)C(=O)NCC(C)(C)C(=O)O[C@@H](CC(C)C)C(=O)O2)cc1
277	CHEMBL333491	None	9.4	CHEMBL382	1	Homo sapiens	1	CHEMBL382	CCRF-CEM	COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H](O)[C@@H](Cl)c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)C3(CCCC3)CNC2=O)cc1Cl
278	CHEMBL102573	None	7.16	CHEMBL382	1	Homo sapiens	1	CHEMBL382	CCRF-CEM	COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c3ccc(C)c(C)c3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl
279	CHEMBL102700	None	6.36	CHEMBL382	1	Homo sapiens	1	CHEMBL382	CCRF-CEM	COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c3cc(C)ccc3C)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl
280	CHEMBL327295	None	10.3	CHEMBL382	1	Homo sapiens	1	CHEMBL382	CCRF-CEM	COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccc(C)c(C)c3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl
281	CHEMBL104949	None	7.0	CHEMBL382	1	Homo sapiens	1	CHEMBL382	CCRF-CEM	COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H]3O[C@H]3c3cc(C)ccc3C)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl
282	CHEMBL159377	None	8.52	CHEMBL372	1	Homo sapiens	1	CHEMBL372	Homo sapiens	COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)C[C@@H](CC(C)C)NC2=O)cc1Cl
283	CHEMBL125768	None	8.96	CHEMBL382	1	Homo sapiens	1	CHEMBL382	CCRF-CEM	CCC1(CC)CNC(=O)[C@@H](Cc2ccc(OC)c(Cl)c2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC(=O)[C@H](CC(C)C)OC1=O
284	CHEMBL103389	None	9.22	CHEMBL382	1	Homo sapiens	1	CHEMBL382	CCRF-CEM	COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H](O)[C@@H](Cl)c3ccc(C)c(C)c3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl
285	CHEMBL333531	None	8.8	CHEMBL382	1	Homo sapiens	1	CHEMBL382	CCRF-CEM	CCC1(CC)CNC(=O)[C@@H](Cc2ccc(OC)c(Cl)c2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H](O)[C@@H](Cl)c2ccccc2)OC(=O)[C@H](CC(C)C)OC1=O
286	CHEMBL3342324	None	6.52	CHEMBL3341578	1	Escherichia coli (strain K12)	1	CHEMBL3341578	ATP-dependent Clp protease proteolytic subunit	C/C=C/C=C/C=C/C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1COC(=O)[C@@H]2C[C@@H](C)CN2C(=O)[C@H](C)NC(=O)[C@H](C)N(C)C(=O)[C@@H]2CCCN2C1=O
287	CHEMBL3244598	None	5.4	CHEMBL612545	1	None	1	CHEMBL612545	Unchecked	CCC(=O)O[C@H]1/C=C/C=C/C[C@@H](C)OC(=O)C[C@@H](O)[C@H](OC)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@H]1C
288	CHEMBL86423	None	7.32	CHEMBL382	1	Homo sapiens	1	CHEMBL382	CCRF-CEM	CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC1=O
289	CHEMBL224436	JOSAMYCIN	5.92	CHEMBL612545	1	None	1	CHEMBL612545	Unchecked	CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1OC(C)=O
290	CHEMBL42743	TYLOSIN	8.56	CHEMBL345	1	None	1	CHEMBL345	Nucleic Acid	CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC
291	CHEMBL3251873	None	5.66	CHEMBL612545	1	None	1	CHEMBL612545	Unchecked	CCCC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@@H]3[C@@H](OC)[C@H](OC(C)=O)CC(=O)O[C@H](C)C/C=C/C=C/[C@H](OC(C)=O)[C@H](C)C[C@@H]3CC=O)[C@H](O)[C@H]2N(C)C)C[C@@]1(C)O
292	CHEMBL3251872	None	4.68	CHEMBL612545	1	None	1	CHEMBL612545	Unchecked	CCCC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@H]2[C@H](N(C)C)[C@@H](OC(C)=O)[C@H](O[C@@H]3[C@@H](OC)[C@H](OC(C)=O)CC(=O)O[C@H](C)C/C=C/C=C/[C@H](O)[C@H](C)C[C@@H]3CC=O)O[C@@H]2C)C[C@@]1(C)O
293	CHEMBL84845	None	7.82	CHEMBL382	1	Homo sapiens	1	CHEMBL382	CCRF-CEM	CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccc(NC(=O)OCC3c4ccccc4-c4ccccc43)c(Cl)c2)NC(=O)/C=C/C[C@@H]([C@H](C)C2OC2c2ccccc2)OC1=O
294	CHEMBL3650147	None	6.06	CHEMBL254	1	Homo sapiens	1	CHEMBL254	Phosphodiesterase 4A	CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(=O)N3CCOCC3)[C@H]2O)[C@](C)(OC)CCC[C@@H](C)C(=O)[C@H](C)C2N(CCCN(Cc3c(Cl)cncc3Cl)c3ccc(OC)c(OC4CCCC4)c3)C(=O)O[C@@]21C
295	CHEMBL2372235	None	6.0	CHEMBL4830	1	Mus musculus	1	CHEMBL4830	Growth factor receptor-bound protein 2	Cc1c2oc3c(C)ccc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N[C@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N[C@H](C(C)C)C(=O)O[C@@H]2C)c(N)c1=O
296	CHEMBL2369551	None	5.23	CHEMBL4830	1	Mus musculus	1	CHEMBL4830	Growth factor receptor-bound protein 2	CC[C@@H](C)[C@H]1NC(=O)[C@@H](NC(=O)c2c3nc4c(C(=O)N[C@@H]5C(=O)N[C@H]([C@H](C)CC)C(=O)N6CCC[C@H]6C(=O)N(C)CC(=O)N[C@@H](C(C)C)C(=O)O[C@@H]5C)ccc(C)c4oc-3c(C)c(=O)c2N)[C@@H](C)OC(=O)[C@H](C(C)C)NC(=O)CN(C)C(=O)[C@@H]2CCCN2C1=O
297	CHEMBL2159004	None	4.03	CHEMBL2366516	1	Human immunodeficiency virus 1	1	CHEMBL2366516	Reverse transcriptase	Cc1c2oc3c(C)c(N)cc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)c(N)c1=O
298	CHEMBL2373069	None	5.23	CHEMBL3663	1	Homo sapiens	1	CHEMBL3663	Growth factor receptor-bound protein 2	CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)c2ccc(C)c3oc4c(C)c(=O)c(N)c(C(=O)N[C@@H]5C(=O)N[C@@H](C(C)C)C(=O)N6CCC[C@H]6C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]5C)c-4nc23)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]2CCCN2C1=O
299	CHEMBL2369550	None	5.12	CHEMBL4830	1	Mus musculus	1	CHEMBL4830	Growth factor receptor-bound protein 2	CC[C@@H](C)[C@H]1NC(=O)CN(C)C(=O)[C@@H]2CCCN2C(=O)[C@@H]([C@H](C)CC)NC(=O)[C@@H](NC(=O)c2c3nc4c(C(=O)N[C@@H]5C(=O)N[C@H]([C@H](C)CC)C(=O)N6CCC[C@H]6C(=O)N(C)CC(=O)N[C@H]([C@H](C)CC)C(=O)O[C@@H]5C)ccc(C)c4oc-3c(C)c(=O)c2N)[C@@H](C)OC1=O
300	CHEMBL413035	None	5.12	CHEMBL3663	1	Homo sapiens	1	CHEMBL3663	Growth factor receptor-bound protein 2	CCC(C)C1NC(=O)C(NC(=O)c2c3nc4c(C(=O)NC5C(=O)NC(C(C)CC)C(=O)N6CCCC6C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC5C)ccc(C)c4oc-3c(C)c(=O)c2N)C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C2CCCN2C1=O
301	CHEMBL4110913	None	6.64	CHEMBL254	1	Homo sapiens	1	CHEMBL254	Phosphodiesterase 4A	CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(=O)N3CCOCC3)[C@H]2O)[C@](C)(OC)CCC[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCCN(Cc3c(Cl)cncc3Cl)c3ccc(OC)c(OC4CCCC4)c3)C(=O)O[C@]12C
302	CHEMBL2372240	None	5.75	CHEMBL4830	1	Mus musculus	1	CHEMBL4830	Growth factor receptor-bound protein 2	Cc1c2oc3c(C)ccc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N[C@@H](Cc5ccccc5)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N[C@@H](Cc3ccccc3)C(=O)O[C@@H]2C)c(N)c1=O
303	CHEMBL2372234	None	6.05	CHEMBL4830	1	Mus musculus	1	CHEMBL4830	Growth factor receptor-bound protein 2	Cc1c2oc3c(C)ccc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N[C@H](Cc5ccccc5)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N[C@H](Cc3ccccc3)C(=O)O[C@@H]2C)c(N)c1=O
304	CHEMBL2372236	None	5.92	CHEMBL4830	1	Mus musculus	1	CHEMBL4830	Growth factor receptor-bound protein 2	Cc1c2oc3c(C)ccc(C(=O)N[C@@H]4C(=O)N[C@H](Cc5ccccc5)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N[C@@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](Cc3ccccc3)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N[C@@H](C(C)C)C(=O)O[C@@H]2C)c(N)c1=O
305	CHEMBL2369549	None	6.1	CHEMBL4830	1	Mus musculus	1	CHEMBL4830	Growth factor receptor-bound protein 2	Cc1c2oc3c(C)ccc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N[C@@H](Cc5ccc(O)cc5)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)O[C@@H]2C)c(N)c1=O
306	CHEMBL2369547	None	6.1	CHEMBL4830	1	Mus musculus	1	CHEMBL4830	Growth factor receptor-bound protein 2	Cc1c2oc3c(C)ccc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N[C@H](Cc5ccc(O)cc5)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N[C@H](Cc3ccc(O)cc3)C(=O)O[C@@H]2C)c(N)c1=O
307	CHEMBL2372239	None	5.7	CHEMBL4830	1	Mus musculus	1	CHEMBL4830	Growth factor receptor-bound protein 2	COc1ccc(C[C@@H]2NC(=O)CN(C)C(=O)[C@@H]3CCCN3C(=O)[C@@H](C(C)C)NC(=O)[C@@H](NC(=O)c3c4nc5c(C(=O)N[C@@H]6C(=O)N[C@H](C(C)C)C(=O)N7CCC[C@H]7C(=O)N(C)CC(=O)N[C@@H](Cc7ccc(OC)cc7)C(=O)O[C@@H]6C)ccc(C)c5oc-4c(C)c(=O)c3N)[C@@H](C)OC2=O)cc1
308	CHEMBL2372241	None	5.7	CHEMBL4830	1	Mus musculus	1	CHEMBL4830	Growth factor receptor-bound protein 2	COc1ccc(C[C@H]2NC(=O)CN(C)C(=O)[C@@H]3CCCN3C(=O)[C@@H](C(C)C)NC(=O)[C@@H](NC(=O)c3c4nc5c(C(=O)N[C@@H]6C(=O)N[C@H](C(C)C)C(=O)N7CCC[C@H]7C(=O)N(C)CC(=O)N[C@H](Cc7ccc(OC)cc7)C(=O)O[C@@H]6C)ccc(C)c5oc-4c(C)c(=O)c3N)[C@@H](C)OC2=O)cc1
309	CHEMBL2372231	None	5.82	CHEMBL4830	1	Mus musculus	1	CHEMBL4830	Growth factor receptor-bound protein 2	COc1ccc(C[C@H]2NC(=O)[C@@H](NC(=O)c3c4nc5c(C(=O)N[C@@H]6C(=O)N[C@H](Cc7ccc(OC)cc7)C(=O)N7CCC[C@H]7C(=O)N(C)CC(=O)N[C@@H](C(C)C)C(=O)O[C@@H]6C)ccc(C)c5oc-4c(C)c(=O)c3N)[C@@H](C)OC(=O)[C@H](C(C)C)NC(=O)CN(C)C(=O)[C@@H]3CCCN3C2=O)cc1
310	CHEMBL256131	POLYDISCAMIDE D	5.55	CHEMBL612545	1	None	1	CHEMBL612545	Unchecked	CC(C)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)[C@@H](C)NC=O)C(=O)N[C@H](C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CS(=O)(=O)O)C(=O)N[C@@H]1C(=O)N(C)[C@@H](CCC(N)=O)C(=O)N[C@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@H](CC(=O)O)C(=O)O[C@@H]1C)C(C)(C)C
311	CHEMBL256912	POLYDISCAMIDE C	5.45	CHEMBL612545	1	None	1	CHEMBL612545	Unchecked	CCC(C)(C)[C@H](NC(=O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)[C@@H](C)NC=O)C(C)C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CS(=O)(=O)O)C(=O)N[C@@H]1C(=O)N(C)[C@@H](CCC(N)=O)C(=O)N[C@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@H](CC(=O)O)C(=O)O[C@@H]1C
312	CHEMBL403900	POLYDISCAMIDE B	5.9	CHEMBL612545	1	None	1	CHEMBL612545	Unchecked	CCC(C)(C)[C@H](NC(=O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)[C@@H](C)NC=O)C(C)(C)C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CS(=O)(=O)O)C(=O)N[C@@H]1C(=O)N(C)[C@@H](CCC(N)=O)C(=O)N[C@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@H](CC(=O)O)C(=O)O[C@@H]1C
313	CHEMBL294895	None	6.79	CHEMBL243	1	Human immunodeficiency virus 1	1	CHEMBL243	Human immunodeficiency virus type 1 protease	O=C(NC(Cc1ccccc1)C(O)CN1CCCC/C=C/CCCCCCC(c2ccccc2)OC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12
314	CHEMBL3244606	None	5.55	CHEMBL612545	1	None	1	CHEMBL612545	Unchecked	CCCC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@H]2[C@H](N(C)C)[C@@H](OC(=O)CCC(=O)O)[C@H](O[C@@H]3[C@@H](OC)[C@H](O)CC(=O)O[C@H](C)C/C=C/C=C/[C@H](OC(=O)CCC(=O)O)[C@H](C)C[C@@H]3CC=O)O[C@@H]2C)C[C@@]1(C)O
315	CHEMBL42743	TYLOSIN	8.56	CHEMBL345	1	None	1	CHEMBL345	Nucleic Acid	CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC
316	CHEMBL42743	TYLOSIN	8.56	CHEMBL345	1	None	1	CHEMBL345	Nucleic Acid	CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC
317	CHEMBL3251857	None	4.47	CHEMBL612545	1	None	1	CHEMBL612545	Unchecked	CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@H](N(C)C)[C@H]2OC(C)=O)[C@@H](CC=O)C[C@@H](C)[C@@H](O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1OC(C)=O
318	CHEMBL3251874	None	4.63	CHEMBL612545	1	None	1	CHEMBL612545	Unchecked	CCCC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@H]2[C@H](N(C)C)[C@@H](OC(C)=O)[C@H](O[C@@H]3[C@@H](OC)[C@H](O)CC(=O)O[C@H](C)C/C=C/C=C/[C@H](OC(C)=O)[C@H](C)C[C@@H]3CC=O)O[C@@H]2C)C[C@@]1(C)O
319	CHEMBL3244432	None	5.72	CHEMBL612545	1	None	1	CHEMBL612545	Unchecked	CCCC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@H]2[C@H](N(C)C)[C@@H](OC(=O)CCC(=O)O)[C@H](O[C@@H]3[C@@H](OC)[C@H](O)CC(=O)O[C@H](C)C/C=C/C=C/[C@H](O)[C@H](C)C[C@@H]3CC=O)O[C@@H]2C)C[C@@]1(C)O
320	CHEMBL3251868	None	6.05	CHEMBL612545	1	None	1	CHEMBL612545	Unchecked	CCCC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@@H]3[C@@H](OC)[C@H](O)CC(=O)O[C@H](C)C/C=C/C=C/[C@H](OC(=O)CCC)[C@H](C)C[C@@H]3CC=O)[C@H](O)[C@H]2N(C)C)C[C@@]1(C)O
321	CHEMBL3244599	None	5.77	CHEMBL612545	1	None	1	CHEMBL612545	Unchecked	CCC(=O)O[C@H]1/C=C/C=C/C[C@@H](C)OC(=O)C[C@@H](O)[C@H](OC)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)C(C)CC)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@H]1C
322	CHEMBL1483648	None	5.0	CHEMBL1293227	1	Homo sapiens	1	CHEMBL1293227	Ubiquitin carboxyl-terminal hydrolase 2	COC1C(O)CC(=O)OC(C)C/C=C/C=C/[C@@H](OC2CCC(N(C)C)C(C)O2)C(C)C[C@@H](CC=O)[C@@H]1O[C@H]1OC(C)[C@H](O[C@@H]2C[C@@](C)(O)C(O)C(C)O2)C(N(C)C)C1O
323	CHEMBL3244601	None	5.85	CHEMBL612545	1	None	1	CHEMBL612545	Unchecked	CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](OC(=O)C(Cl)Cl)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1OC(C)=O
324	CHEMBL3244600	None	5.77	CHEMBL612545	1	None	1	CHEMBL612545	Unchecked	CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](OC(=O)CCl)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1OC(C)=O
325	CHEMBL3251860	None	4.75	CHEMBL612545	1	None	1	CHEMBL612545	Unchecked	CCCC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@H]2[C@H](N(C)C)[C@@H](OC(=O)CC)[C@H](O[C@@H]3[C@@H](OC)[C@H](OC(C)=O)CC(=O)O[C@H](C)C/C=C/C=C/[C@H](O)[C@H](C)C[C@@H]3CC=O)O[C@@H]2C)C[C@@]1(C)O
326	CHEMBL3251861	None	5.89	CHEMBL612545	1	None	1	CHEMBL612545	Unchecked	CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](OC(C)=O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1OC(C)=O
327	CHEMBL3244608	None	5.03	CHEMBL612545	1	None	1	CHEMBL612545	Unchecked	CCCC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@H]2[C@H](N(C)C)[C@@H](OC(=O)CCCC(=O)O)[C@H](O[C@@H]3[C@@H](OC)[C@H](O)CC(=O)O[C@H](C)C/C=C/C=C/[C@H](O)[C@H](C)C[C@@H]3CC=O)O[C@@H]2C)C[C@@]1(C)O
328	CHEMBL42743	TYLOSIN	8.56	CHEMBL345	1	None	1	CHEMBL345	Nucleic Acid	CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC
329	CHEMBL99640	None	10.7	CHEMBL382	1	Homo sapiens	1	CHEMBL382	CCRF-CEM	COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H](O)[C@@H](Cl)c3ccc(CNC(=O)CN(C)C(=O)OC(C)(C)C)cc3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl
330	CHEMBL3244595	None	4.48	CHEMBL612545	1	None	1	CHEMBL612545	Unchecked	CCCC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@H]2[C@H](N(C)C)[C@@H](OC(C)=O)[C@H](O[C@@H]3[C@@H](OC)[C@H](OC(C)=O)CC(=O)O[C@H](C)C/C=C/C=C/[C@H](OC(C)=O)[C@H](C)C[C@@H]3CC=O)O[C@@H]2C)C[C@@]1(C)O
331	CHEMBL3244607	None	5.48	CHEMBL612545	1	None	1	CHEMBL612545	Unchecked	CCCC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@H]2[C@H](N(C)C)[C@@H](OC(=O)CCC(=O)O)[C@H](O[C@@H]3[C@@H](OC)[C@H](O)CC(=O)O[C@H](C)C/C=C/C=C/[C@H](OC(C)=O)[C@H](C)C[C@@H]3CC=O)O[C@@H]2C)C[C@@]1(C)O
332	CHEMBL3251862	None	5.72	CHEMBL612545	1	None	1	CHEMBL612545	Unchecked	CCC(=O)O[C@H]1/C=C/C=C/C[C@@H](C)OC(=O)C[C@@H](OC(C)=O)[C@H](OC)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@H]1C
333	CHEMBL3251870	None	4.67	CHEMBL612545	1	None	1	CHEMBL612545	Unchecked	CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@H](N(C)C)[C@H]2OC(C)=O)[C@@H](CC=O)C[C@@H](C)[C@@H](OC(C)=O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1OC(C)=O
334	CHEMBL3244605	None	5.47	CHEMBL612545	1	None	1	CHEMBL612545	Unchecked	CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](OC(=O)CCC(=O)O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1OC(C)=O
335	CHEMBL3244604	None	5.46	CHEMBL612545	1	None	1	CHEMBL612545	Unchecked	CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@H](N(C)C)[C@H]2OC(=O)CCC(=O)O)[C@@H](CC=O)C[C@@H](C)[C@@H](O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1OC(C)=O
336	CHEMBL3251863	None	5.72	CHEMBL612545	1	None	1	CHEMBL612545	Unchecked	CCCC(=O)O[C@H]1/C=C/C=C/C[C@@H](C)OC(=O)C[C@@H](OC(C)=O)[C@H](OC)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@H]1C
337	CHEMBL3251864	None	5.7	CHEMBL612545	1	None	1	CHEMBL612545	Unchecked	CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](OC(=O)C(C)C)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1OC(C)=O
338	CHEMBL60396	None	6.78	CHEMBL243	1	Human immunodeficiency virus 1	1	CHEMBL243	Human immunodeficiency virus type 1 protease	O=C(NC(Cc1ccccc1)C(O)CN1CCCCCCCCC/C=C/CC(c2ccccc2)OC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12
339	CHEMBL409074	None	6.94	CHEMBL382	1	Homo sapiens	1	CHEMBL382	CCRF-CEM	CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccc(NC(=O)OCC3c4ccccc4-c4ccccc43)cc2)NC(=O)/C=C/C[C@@H]([C@H](C)C2OC2c2ccccc2)OC1=O
340	CHEMBL3342325	None	6.16	CHEMBL3341578	1	Escherichia coli (strain K12)	1	CHEMBL3341578	ATP-dependent Clp protease proteolytic subunit	C/C=C/C=C/C=C/C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1COC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](C)N(C)C(=O)[C@@H]2CCCN2C1=O
341	CHEMBL235854	None	5.16	CHEMBL4822	1	Homo sapiens	1	CHEMBL4822	Beta-secretase 1	CN(c1cc2cc(n1)CCC(c1ccccc1)CCc1cccc(c1)C[C@@](C)(N)C(=O)OC2)S(C)(=O)=O
342	CHEMBL3799929	None	5.66	CHEMBL3879801	1	None	1	CHEMBL3879801	NON-PROTEIN TARGET	CC(=O)N[C@H](C)[C@@H](O)[C@@H](C)[C@@H]1OC(=O)/C=C/C=C(C)\C=C\c2ccccc2/C=C(C)/C=C/[C@H]1C
343	CHEMBL3742171	None	6.52	CHEMBL1681616	1	Staphylococcus aureus	1	CHEMBL1681616	Accessory gene regulator protein A	CC(C)[C@@H]1NC(=O)C[C@H](/C=C/c2ccccc2)OC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](C)NC1=O
344	CHEMBL1235782	SORAPHEN A	8.68	CHEMBL612545	1	None	1	CHEMBL612545	Unchecked	CO[C@H]1CCCC[C@@H](c2ccccc2)OC(=O)[C@@H](C)[C@@]2(O)O[C@@H]([C@@H](C)/C=C/[C@H]1OC)[C@@H](C)[C@H](O)[C@H]2OC
345	CHEMBL251307	None	6.11	CHEMBL4822	1	Homo sapiens	1	CHEMBL4822	Beta-secretase 1	C[C@@]1(N)Cc2cccc(c2)CC[C@H](c2ccccc2)NC(=O)c2cc(cc(-c3ncco3)c2)COC1=O
346	CHEMBL4104519	None	5.82	CHEMBL3991	1	Homo sapiens	1	CHEMBL3991	Coagulation factor VII	Cc1cc2cc(C)c1CCOC(=O)Nc1cccc(c1)CN(C)C(=O)C2Nc1ccc2cc[nH]c(=O)c2c1
347	CHEMBL4077853	None	7.21	CHEMBL3991	1	Homo sapiens	1	CHEMBL3991	Coagulation factor VII	CCS(=O)(=O)c1ccc2cc1CN(C)C(=O)[C@H](Nc1ccc3cc[nH]c(=O)c3c1)c1ccc(cc1)CCOC(=O)N2
348	CHEMBL402921	None	7.8	CHEMBL4822	1	Homo sapiens	1	CHEMBL4822	Beta-secretase 1	CN(c1cc2cc(c1)C(=O)N[C@@H](c1ccccc1)CCc1cccc(c1)C[C@@](C)(N)C(=O)OC2)S(=O)(=O)CC(F)(F)F
349	CHEMBL392564	None	5.43	CHEMBL4822	1	Homo sapiens	1	CHEMBL4822	Beta-secretase 1	CN(c1cc2cc(c1)C(C(F)(F)F)N[C@@H](c1ccccc1)CCc1cccc(c1)C[C@@](C)(N)C(=O)OC2)S(C)(=O)=O
350	CHEMBL427884	None	8.4	CHEMBL4822	1	Homo sapiens	1	CHEMBL4822	Beta-secretase 1	CN(C)S(=O)(=O)N(C)c1cc2cc(c1)C(=O)N[C@@H](c1ccccc1)CCc1cccc(c1)C[C@@](C)(N)C(=O)OC2
351	CHEMBL1790732	None	5.97	CHEMBL382	1	Homo sapiens	1	CHEMBL382	CCRF-CEM	CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H]([C@H](C)O)NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC1=O
352	CHEMBL1784527	TURNAGAINOLIDE A	6.1	CHEMBL1681616	1	Staphylococcus aureus	1	CHEMBL1681616	Accessory gene regulator protein A	CC[C@H](C)[C@@H]1NC(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)C[C@H](/C=C/c2ccccc2)OC(=O)[C@H](C(C)C)NC1=O
353	CHEMBL4095879	None	8.02	CHEMBL3991	1	Homo sapiens	1	CHEMBL3991	Coagulation factor VII	Cc1cc2cc(C)c1CCOC(=O)Nc1cccc(c1)[C@@H](CC(=O)O)NC(=O)[C@@H]2Nc1ccc2cc[nH]c(=O)c2c1
354	CHEMBL4080298	None	7.04	CHEMBL3991	1	Homo sapiens	1	CHEMBL3991	Coagulation factor VII	CCc1cc2ccc1CCOC(=O)Nc1ccc(SC(C)C)c(c1)CN(C)C(=O)[C@@H]2Nc1cccc(C(N)=O)c1
355	CHEMBL59732	None	7.06	CHEMBL243	1	Human immunodeficiency virus 1	1	CHEMBL243	Human immunodeficiency virus type 1 protease	O=C(NC(Cc1ccccc1)C(O)CN1CCCCCCCCC/C=C/CCOC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12
356	CHEMBL155058	None	4.3	CHEMBL612545	1	None	1	CHEMBL612545	Unchecked	CC(C)C[C@@H]1NC(=O)[C@@H](CC(C)C)OC(=O)CCNC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)OC1=O
357	CHEMBL4088154	None	6.08	CHEMBL3991	1	Homo sapiens	1	CHEMBL3991	Coagulation factor VII	Cc1cc2cc(C)c1CCOC(=O)Nc1cccc(c1)[C@H]1CCCN1C(=O)[C@@H]2Nc1ccc2cc[nH]c(=O)c2c1
358	CHEMBL406149	None	5.87	CHEMBL382	1	Homo sapiens	1	CHEMBL382	CCRF-CEM	CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](n2cccc2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC1=O
359	CHEMBL60728	None	7.96	CHEMBL243	1	Human immunodeficiency virus 1	1	CHEMBL243	Human immunodeficiency virus type 1 protease	CC1C/C=C/CCCCCCCCOC(=O)N(CC(O)C(Cc2ccccc2)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)C1
360	CHEMBL61164	None	7.28	CHEMBL243	1	Human immunodeficiency virus 1	1	CHEMBL243	Human immunodeficiency virus type 1 protease	CC1C/C=C\CCCCCCCCCOC(=O)N1CC(O)C(Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12
361	CHEMBL4066874	None	6.44	CHEMBL3991	1	Homo sapiens	1	CHEMBL3991	Coagulation factor VII	CCOC(=O)C[C@H]1NC(=O)[C@H](Nc2ccc3cc[nH]c(=O)c3c2)c2cc(C)c(c(C)c2)CCOC(=O)Nc2cccc1c2
362	CHEMBL3976650	None	8.7	CHEMBL2095194	1	Homo sapiens	1	CHEMBL2095194	Coagulation factor VII/tissue factor	Cc1cc2ccc1[C@@H](C)COC(=O)Nc1ccc(C3CC3)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)nccc2c1
363	CHEMBL235645	None	4.89	CHEMBL4822	1	Homo sapiens	1	CHEMBL4822	Beta-secretase 1	CN(c1cc2cc(n1)N(Cc1ccccc1)CCCCc1cccc(c1)C[C@@](C)(N)C(=O)OC2)S(C)(=O)=O
364	CHEMBL4094405	None	6.03	CHEMBL3991	1	Homo sapiens	1	CHEMBL3991	Coagulation factor VII	CC(C)S(=O)(=O)c1ccc2cc1CN(C)C(=O)[C@H](Nc1cccc(C(N)=O)c1)c1ccc(cc1)CCOC(=O)N2
365	CHEMBL251310	None	7.34	CHEMBL4822	1	Homo sapiens	1	CHEMBL4822	Beta-secretase 1	C[C@@]1(N)Cc2ccc(F)c(c2)CC[C@H](c2ccc(F)cc2)NC(=O)c2cc(cc(-c3ccccc3C#N)c2)COC1=O
366	CHEMBL4073823	None	5.68	CHEMBL3991	1	Homo sapiens	1	CHEMBL3991	Coagulation factor VII	CCc1cc2cc(CC)c1CCOC(=O)Nc1cccc(c1)CNC(=O)C2Nc1cccc(C(N)=O)c1
367	CHEMBL84700	None	10.27	CHEMBL382	1	Homo sapiens	1	CHEMBL382	CCRF-CEM	CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccc(N(C)C)c(Cl)c2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC1=O
368	CHEMBL1526733	None	5.5	CHEMBL289	1	Homo sapiens	1	CHEMBL289	Cytochrome P450 2D6	CO[C@@H]1COC(=O)CCC[C@@H](C)[C@H](OC)COC(=O)CCC[C@H]1C
369	CHEMBL399595	None	4.82	CHEMBL4822	1	Homo sapiens	1	CHEMBL4822	Beta-secretase 1	CN(c1cc2cc(n1)CCCCCc1cccc(c1)C[C@@](C)(N)C(=O)OC2)S(C)(=O)=O
370	CHEMBL4089042	None	5.1	CHEMBL2111363	1	Homo sapiens	1	CHEMBL2111363	Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)	CCC(=O)CC/C=C/[C@@H]1CC(=O)NCc2nc(cs2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1
371	CHEMBL235853	None	5.75	CHEMBL4822	1	Homo sapiens	1	CHEMBL4822	Beta-secretase 1	CC1CCc2cccc(c2)C[C@@](C)(N)C(=O)OCc2cc(nc(N(C)S(C)(=O)=O)c2)CC1
372	CHEMBL394225	None	5.77	CHEMBL4822	1	Homo sapiens	1	CHEMBL4822	Beta-secretase 1	CC1CCc2cccc(c2)C[C@@](C)(N)C(=O)OCc2cc(cc(N(C)S(C)(=O)=O)c2)CC1
373	CHEMBL442238	None	4.66	CHEMBL4822	1	Homo sapiens	1	CHEMBL4822	Beta-secretase 1	CC(C)N1CCCCc2cccc(c2)C[C@@](C)(N)C(=O)OCc2cc1nc(N(C)S(C)(=O)=O)c2
374	CHEMBL394224	None	5.22	CHEMBL4822	1	Homo sapiens	1	CHEMBL4822	Beta-secretase 1	CN(c1cc2cc(n1)N(CC1CC1)CCCCc1cccc(c1)C[C@@](C)(N)C(=O)OC2)S(C)(=O)=O
375	CHEMBL3650144	None	7.33	CHEMBL325	1	Homo sapiens	1	CHEMBL325	Histone deacetylase 1	CC(C)[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)C[C@@H](/C=C/CCS)OC(=O)CNC1=O
376	CHEMBL251118	None	6.57	CHEMBL4822	1	Homo sapiens	1	CHEMBL4822	Beta-secretase 1	C[C@@]1(N)Cc2cccc(c2)CC[C@H](c2ccccc2)NC(=O)c2cc(Br)cc(c2)COC1=O
377	CHEMBL4097785	None	5.04	CHEMBL3991	1	Homo sapiens	1	CHEMBL3991	Coagulation factor VII	CCc1cc2ccc1CCOC(=O)Nc1cccc(c1)CNC(=O)C2Nc1cccc(C(N)=O)c1
378	CHEMBL524991	BROMOPHYCOLIDE H	5.41	CHEMBL2366246	1	Homo sapiens	1	CHEMBL2366246	DU-4475	C=C1CC[C@H](Br)[C@@]2(C)CC[C@@H](Br)[C@@](C)(O)CC[C@@H](Br)C(C)(C)OC(=O)c3ccc(O)c(c3)C[C@H]12
379	CHEMBL3426552	None	5.07	CHEMBL614004	1	Homo sapiens	1	CHEMBL614004	A2780	C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@@H]2CCC[C@@H]2CCC[C@@H](C(=O)C(C)(C)[C@@H](O)CC(=O)O1)[C@H]2O
380	CHEMBL3650145	None	6.9	CHEMBL325	1	Homo sapiens	1	CHEMBL325	Histone deacetylase 1	CC(=O)SCC/C=C/[C@@H]1CC(=O)N[C@H](C)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](C(C)C)C(=O)NCC(=O)O1
381	CHEMBL3426553	None	5.07	CHEMBL614004	1	Homo sapiens	1	CHEMBL614004	A2780	C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@]2(C)CCC[C@@H]2CCC[C@@H](C(=O)C(C)(C)[C@@H](O)CC(=O)O1)[C@H]2O
382	CHEMBL2425898	None	5.11	CHEMBL387	1	Homo sapiens	1	CHEMBL387	MCF7	C/C1=C\C[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)[C@H](C)CC1
383	CHEMBL2425897	None	4.03	CHEMBL387	1	Homo sapiens	1	CHEMBL387	MCF7	C/C1=C\C[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)[C@@H](C)CC1
384	CHEMBL2425899	None	6.0	CHEMBL387	1	Homo sapiens	1	CHEMBL387	MCF7	C/C1=C/C[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)[C@H](C)CC1
385	CHEMBL2425896	None	4.45	CHEMBL387	1	Homo sapiens	1	CHEMBL387	MCF7	C/C1=C/C[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)[C@@H](C)CC1
386	CHEMBL551685	None	8.37	CHEMBL398	1	Homo sapiens	1	CHEMBL398	KB	C/C(=C\c1csc(C)n1)[C@@H]1C[C@H]2[C@@H](CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1)N2CCO
387	CHEMBL250918	None	7.42	CHEMBL4822	1	Homo sapiens	1	CHEMBL4822	Beta-secretase 1	CN(c1cc2cc(c1)C(=O)N[C@@H](c1ccccc1)CCc1cccc(c1)C[C@@](C)(N)C(=O)OC2)S(=O)(=O)C(F)(F)F
388	CHEMBL399425	None	7.34	CHEMBL4822	1	Homo sapiens	1	CHEMBL4822	Beta-secretase 1	C[C@@]1(N)Cc2ccc(F)c(c2)CC[C@H](c2ccc(F)cc2)NC(=O)c2cc(cc(-c3cccc(F)c3C#N)c2)COC1=O
389	CHEMBL392361	None	6.4	CHEMBL4822	1	Homo sapiens	1	CHEMBL4822	Beta-secretase 1	CN(c1cc2cc(n1)NCCCCc1cccc(c1)C[C@@](C)(N)C(=O)OC2)S(C)(=O)=O
390	CHEMBL251309	None	6.89	CHEMBL4822	1	Homo sapiens	1	CHEMBL4822	Beta-secretase 1	C[C@@]1(N)Cc2cc(F)cc(c2)CC[C@H](c2ccc(F)cc2)NC(=O)c2cc(cc(-c3ccccc3C#N)c2)COC1=O
391	CHEMBL89807	None	5.81	CHEMBL382	1	Homo sapiens	1	CHEMBL382	CCRF-CEM	CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccc(N)cc2)NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c2ccccc2)OC1=O
392	CHEMBL432373	None	8.06	CHEMBL382	1	Homo sapiens	1	CHEMBL382	CCRF-CEM	CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](CC2CCCCC2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC1=O
393	CHEMBL1531390	None	6.2	CHEMBL1293232	1	Homo sapiens	1	CHEMBL1293232	Survival motor neuron protein	CO/C1=C\C(C)=C\[C@@H](C)[C@@H](O)[C@H](C)C/C(C)=C/C=C/[C@H](OC)[C@H]([C@@H](C)[C@@H](O)[C@H](C)[C@H]2C[C@@H](O)[C@H](C)[C@@H](C(C)C)O2)OC1=O
394	CHEMBL1317175	None	5.55	CHEMBL1293248	1	Bacillus subtilis	1	CHEMBL1293248	4'-phosphopantetheinyl transferase ffp	CO/C1=C\C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C/C=C\[C@H](OC)C([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](O)[C@H](C)C(C(C)C)O2)OC1=O
395	CHEMBL122085	None	9.8	CHEMBL382	1	Homo sapiens	1	CHEMBL382	CCRF-CEM	COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)C3(CC3)CNC2=O)cc1Cl
396	CHEMBL262368	None	10.85	CHEMBL382	1	Homo sapiens	1	CHEMBL382	CCRF-CEM	COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H](O)[C@@H](Cl)c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)C3(CC3)CNC2=O)cc1Cl
397	CHEMBL124364	None	11.0	CHEMBL382	1	Homo sapiens	1	CHEMBL382	CCRF-CEM	COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H](O)[C@@H](Cl)c3ccccc3)OC(=O)[C@H](CC(C)C)NC(=O)C3(CC3)CNC2=O)cc1Cl
398	CHEMBL313330	None	10.66	CHEMBL382	1	Homo sapiens	1	CHEMBL382	CCRF-CEM	COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)C3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl
399	CHEMBL313117	None	5.78	CHEMBL382	1	Homo sapiens	1	CHEMBL382	CCRF-CEM	CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](CCc2ccccc2)NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c2ccccc2)OC1=O
400	CHEMBL88030	None	6.22	CHEMBL382	1	Homo sapiens	1	CHEMBL382	CCRF-CEM	CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](CCc2ccccc2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC1=O
401	CHEMBL86812	None	6.07	CHEMBL382	1	Homo sapiens	1	CHEMBL382	CCRF-CEM	CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](COCc2ccccc2)NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c2ccccc2)OC1=O
402	CHEMBL89788	None	6.6	CHEMBL382	1	Homo sapiens	1	CHEMBL382	CCRF-CEM	CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](COCc2ccccc2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC1=O
403	CHEMBL87490	None	6.01	CHEMBL382	1	Homo sapiens	1	CHEMBL382	CCRF-CEM	CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](COCc2ccccc2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H]2O[C@H]2c2ccccc2)OC1=O
404	CHEMBL331014	None	10.8	CHEMBL382	1	Homo sapiens	1	CHEMBL382	CCRF-CEM	COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H](O)[C@@H](Cl)c3ccccc3)OC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)CNC2=O)cc1Cl
405	CHEMBL103638	None	7.6	CHEMBL382	1	Homo sapiens	1	CHEMBL382	CCRF-CEM	COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c3cccc(C)c3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl
406	CHEMBL102236	None	9.82	CHEMBL382	1	Homo sapiens	1	CHEMBL382	CCRF-CEM	COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3cccc(C)c3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl
407	CHEMBL100603	None	9.1	CHEMBL382	1	Homo sapiens	1	CHEMBL382	CCRF-CEM	COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c3ccc(CO)cc3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl
408	CHEMBL100279	None	7.92	CHEMBL382	1	Homo sapiens	1	CHEMBL382	CCRF-CEM	COc1ccc(/C=C/[C@@H](C)[C@@H]2C/C=C/C(=O)N[C@H](Cc3ccc(OC)c(Cl)c3)C(=O)NCC(C)(C)C(=O)O[C@@H](CC(C)C)C(=O)O2)cc1
409	CHEMBL99856	None	9.54	CHEMBL382	1	Homo sapiens	1	CHEMBL382	CCRF-CEM	COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H]3O[C@H]3c3ccc(CO)cc3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl
410	CHEMBL318838	None	9.52	CHEMBL382	1	Homo sapiens	1	CHEMBL382	CCRF-CEM	COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H](O)[C@@H](Cl)c3cccc(C)c3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl
411	CHEMBL329990	None	9.55	CHEMBL382	1	Homo sapiens	1	CHEMBL382	CCRF-CEM	COc1ccc([C@H]2O[C@@H]2[C@@H](C)[C@@H]2C/C=C/C(=O)N[C@H](Cc3ccc(OC)c(Cl)c3)C(=O)NCC(C)(C)C(=O)O[C@@H](CC(C)C)C(=O)O2)cc1
412	CHEMBL399362	None	7.66	CHEMBL4822	1	Homo sapiens	1	CHEMBL4822	Beta-secretase 1	C[C@@]1(N)Cc2cccc(c2)CC[C@H](c2ccc(F)cc2)NC(=O)c2cc(cc(-c3cccc(F)c3C#N)c2)COC1=O
413	CHEMBL407385	None	8.0	CHEMBL382	1	Homo sapiens	1	CHEMBL382	CCRF-CEM	CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccc(N)cc2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC1=O
414	CHEMBL103264	None	8.4	CHEMBL382	1	Homo sapiens	1	CHEMBL382	CCRF-CEM	COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c3ccc(O)cc3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl
415	CHEMBL313031	None	5.89	CHEMBL382	1	Homo sapiens	1	CHEMBL382	CCRF-CEM	CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccc(O)c(O)c2)NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c2ccccc2)OC1=O
416	CHEMBL86849	None	7.51	CHEMBL382	1	Homo sapiens	1	CHEMBL382	CCRF-CEM	CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccc(O)c(Cl)c2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H]2O[C@H]2c2ccccc2)OC1=O
417	CHEMBL250295	None	9.0	CHEMBL4822	1	Homo sapiens	1	CHEMBL4822	Beta-secretase 1	C[C@@]1(N)Cc2cccc(c2)CC[C@H](c2ccccc2)NC(=O)c2cc(cc(N(c3ccccc3)S(C)(=O)=O)c2)COC1=O
418	CHEMBL3349529	None	8.52	CHEMBL384	1	Homo sapiens	1	CHEMBL384	HT-29	COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1
419	CHEMBL1164839	FIJIOLIDE A	6.24	CHEMBL612545	1	None	1	CHEMBL612545	Unchecked	CC(=O)N[C@H]1CC(=O)OC[C@H](O)c2ccc3c(c2Cl)C2=CC=C[C@]2(O[C@@H]2OC(C)(C)[C@@H](N(C)C)[C@@H](O)[C@H]2O)[C@@H]3Oc2c(O)cc1cc2Cl
420	CHEMBL433337	None	6.56	CHEMBL382	1	Homo sapiens	1	CHEMBL382	CCRF-CEM	CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](c2ccc(O)cc2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC1=O
421	CHEMBL315267	None	6.0	CHEMBL382	1	Homo sapiens	1	CHEMBL382	CCRF-CEM	CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2cccnc2)NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c2ccccc2)OC1=O
422	CHEMBL327294	None	6.34	CHEMBL382	1	Homo sapiens	1	CHEMBL382	CCRF-CEM	COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c3csc(C)n3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl
423	CHEMBL4091328	None	5.43	CHEMBL612545	1	None	1	CHEMBL612545	Unchecked	C=C1[C@H](OO)CCC(=O)O[C@H](/C(C)=C/C=C/C[C@]2(O)CC(=O)O[C@@H](CC)[C@@H]2C)[C@@H](C)/C=C\C=C/[C@H](OC(N)=O)[C@@H](C)[C@@H](O)[C@@H]1C
424	CHEMBL4061758	None	7.37	CHEMBL612545	1	None	1	CHEMBL612545	Unchecked	CC[C@@H]1OC(=O)C[C@@H](C/C=C/C=C(\C)[C@H]2OC(=O)CC/C=C(\C)[C@@H](C)[C@H](O)[C@H](C)[C@@H](OC(N)=O)/C=C\C=C/[C@@H]2C)[C@H]1C
425	CHEMBL313947	None	6.57	CHEMBL382	1	Homo sapiens	1	CHEMBL382	CCRF-CEM	CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccc(O)c(Cl)c2)NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c2ccccc2)OC1=O
426	CHEMBL85272	None	9.28	CHEMBL382	1	Homo sapiens	1	CHEMBL382	CCRF-CEM	CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccc(O)c(Cl)c2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC1=O
427	CHEMBL4083537	None	7.34	CHEMBL612545	1	None	1	CHEMBL612545	Unchecked	CC[C@@H]1OC(=O)C[C@@](O)(C/C=C/C=C(\C)[C@H]2OC(=O)CC/C=C(\C)[C@@H](C)[C@H](O)[C@H](C)[C@@H](OC(N)=O)/C=C\C=C/[C@@H]2C)[C@H]1C
428	CHEMBL85841	None	6.22	CHEMBL382	1	Homo sapiens	1	CHEMBL382	CCRF-CEM	CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccc(I)cc2)NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c2ccccc2)OC1=O
429	CHEMBL87165	None	6.38	CHEMBL382	1	Homo sapiens	1	CHEMBL382	CCRF-CEM	CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccccc2)NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c2ccccc2)OC1=O
430	CHEMBL401181	None	7.11	CHEMBL4822	1	Homo sapiens	1	CHEMBL4822	Beta-secretase 1	C[C@@]1(N)Cc2cccc(c2F)CC[C@H](c2ccc(F)cc2)NC(=O)c2cc(cc(-c3ccccc3C#N)c2)COC1=O
431	CHEMBL262960	None	6.3	CHEMBL382	1	Homo sapiens	1	CHEMBL382	CCRF-CEM	CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccc(N)c(Cl)c2)NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c2ccccc2)OC1=O
432	CHEMBL86873	None	6.13	CHEMBL382	1	Homo sapiens	1	CHEMBL382	CCRF-CEM	CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c2ccccc2)OC1=O
433	CHEMBL314522	None	9.74	CHEMBL382	1	Homo sapiens	1	CHEMBL382	CCRF-CEM	CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccccc2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC1=O
434	CHEMBL86941	None	8.39	CHEMBL382	1	Homo sapiens	1	CHEMBL382	CCRF-CEM	CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC1=O
435	CHEMBL89619	None	9.24	CHEMBL382	1	Homo sapiens	1	CHEMBL382	CCRF-CEM	CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccc(N)c(Cl)c2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC1=O
436	CHEMBL162213	None	10.22	CHEMBL372	1	Homo sapiens	1	CHEMBL372	Homo sapiens	COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)NC(=O)C[C@@H](C)NC2=O)cc1Cl
437					0		0			CO[C@@H]1[C@@H](OC2OC(C)C(OC3CC(C)(O)C(OC(=O)CC(C)C)C(C)O3)C(N(C)C)C2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1OC(C)=O
438					0		0			COC1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@H](OC(=O)CC(C)C)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1OC(C)=O
439					0		0			CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](OC2OC(C)C(O)C(N(C)C)C2O)[C@@H](C/C=C/C(=O)OC)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1COC1OC(C)C(O)C(OC)C1OC
440					0		0			CC[C@H]1OC(=O)C[C@H](O)[C@H](C)[C@@H](OC2OC(C)C(O)C(N(C)C)C2O)[C@@H](C/C=C/C(=O)OC)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1COC1OC(C)C(O)C(OC)C1OC
441					0		0			CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](OC2OC(C)C(O)C(N(C)C)C2O)[C@@H](C/C=C/C(C)=O)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1COC1OC(C)C(O)C(OC)C1OC
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991					0		0			Cc1c2oc3c(C)c(OCCN4CC4)cc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)c(N)c1=O
992					0		0			Cc1c2oc3c(C)c(OCC4CC4)cc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)c(N)c1=O
993					0		0			COC(=O)CCN1CC(=O)N[C@H](C(C)C)C(=O)O[C@@H](C)[C@@H](NC(=O)c2c3nc4c(C(=O)N[C@@H]5C(=O)N[C@H]([C@H](C)O)C(=O)N6CCC[C@@H]6C(=O)N(CCC(=O)OC)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]5C)ccc(C)c4oc-3c(C)c(=O)c2N)C(=O)N(C)[C@@H]([C@@H](C)O)C(=O)N2CCC[C@H]2C1=O
994					0		0			CCc1nc2c(C(=O)N[C@@H]3C(=O)N[C@H](C(C)C)C(=O)N4CCC[C@H]4C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]3C)c3c(c(C)c2oc1=O)Oc1c(C)ccc(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N4CCC[C@H]4C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)c1N3
995					0		0			CCN1CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@H](C)[C@H](NC(=O)c2c3c(c(C)c4oc(=O)c(CF)nc24)Oc2c(C)ccc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)c2N3)C(=O)N[C@H](C(C)C)C(=O)N2CCC[C@H]2C1=O
996					0		0			Cc1ccc(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)c2c1Oc1c(c(C(=O)N[C@@H]3C(=O)N[C@H](C(C)C)C(=O)N4CCC[C@H]4C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]3C)c3nc(CC(=O)O)c(=O)oc3c1C)N2
997					0		0			Cc1c2oc3c(C)c(OCC(C)N)cc(C(=O)NC4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@H]4C)c3nc-2c(C(=O)NC2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@H]2C)c(N)c1=O
998					0		0			Cc1c2oc3c(C)c(OCC(C)N)cc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)c(N)c1=O
999					0		0			Cc1c2oc3c(C)ccc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@H]2C(=O)N[C@@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@H](C(C)C)C(=O)O[C@H]2C)c(NCCCN)c1=O
1000					0		0			Cc1c2oc3c(C)c(OCC(O)CO)cc(C(=O)N[C@H]4C(=O)N[C@@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@H]4C)c3nc-2c(C(=O)N[C@H]2C(=O)N[C@@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@H]2C)c(N)c1=O
1001					0		0			CCCOc1cc(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)c2nc3c(C(=O)N[C@H]4C(=O)N[C@@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N(C)[C@H](C(C)C)C(=O)O[C@H]4C)c(N)c(=O)c(C)c-3oc2c1C
1002					0		0			CCCNc1c(C(=O)N[C@H]2C(=O)N[C@@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@H](C(C)C)C(=O)O[C@H]2C)c2nc3c(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)ccc(C)c3oc-2c(C)c1=O
1003					0		0			Cc1c2oc3c(C)c(OCC4CN4)cc(C(=O)NC4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@H]4C)c3nc-2c(C(=O)NC2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@H]2C)c(N)c1=O
1004					0		0			Cc1c2oc3c(C)c(OCC4CN4)cc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)c(N)c1=O
1005					0		0			Cc1c2oc3c(C)c(OCC4CO4)cc(C(=O)N[C@H]4C(=O)N[C@@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@H]4C)c3nc-2c(C(=O)N[C@H]2C(=O)N[C@@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@H]2C)c(N)c1=O
1006					0		0			Cc1c2oc3c(C)c(NCc4ccco4)cc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)c(N)c1=O
1007					0		0			Cc1c2oc3c(C)c(O)c(N)c(C(=O)N[C@H]4C(=O)N[C@@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N(C)[C@H](C(C)C)C(=O)O[C@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)c/c1=N/Cc1ccco1
1008					0		0			Cc1c2oc3c(C)c(O)c(N)c(C(=O)N[C@H]4C(=O)N[C@@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N(C)[C@H](C(C)C)C(=O)O[C@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)c/c1=N/Cc1ccc[nH]1
1009					0		0			Cc1c2oc3c(C)c4oc(-c5ccccc5)nc4c(C(=O)N[C@H]4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)cc1=O
1010					0		0			Cc1c2oc3c(C)c(NCc4ccccc4)cc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)c(N)c1=O
1011					0		0			Cc1c2oc3c(C)c(OCc4ccc([N+](=O)[O-])cc4)cc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@H]2C(=O)N[C@@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@H](C(C)C)C(=O)O[C@H]2C)c(N)c1=O
1012					0		0			Cc1c2oc3c(C)c(OCc4ccc(Cl)cc4)cc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@H]2C(=O)N[C@@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@H](C(C)C)C(=O)O[C@H]2C)c(N)c1=O
1013					0		0			Cc1c2oc3c(C)c(O)c(N)c(C(=O)N[C@H]4C(=O)N[C@@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N(C)[C@H](C(C)C)C(=O)O[C@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)c/c1=N/Cc1ccc(Cl)c(Cl)c1
1014					0		0			Cc1c2oc3c(C)c(NCc4ccc(Cl)c(Cl)c4)cc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)c(N)c1=O
1015					0		0			Cc1c2oc3c(C)c(NCc4ccc(Cl)c(Cl)c4)cc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)c(N)c1=O
1016					0		0			Cc1c2oc3c(C)c(OC(=O)c4ccccc4)cc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@H]2C(=O)N[C@@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@H](C(C)C)C(=O)O[C@H]2C)c(N)c1=O
1017					0		0			Cc1ccc(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)c2c1Oc1c(c(C(=O)N[C@H]3C(=O)N[C@H](C(C)C)C(=O)N4CCC[C@H]4C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@H]3C)c3nc(-c4ccccc4)oc3c1C)N2
1018					0		0			Cc1c2oc3c(C)c(OCc4ccc(Cl)c(Cl)c4)cc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@H]2C(=O)N[C@@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@H](C(C)C)C(=O)O[C@H]2C)c(N)c1=O
1019					0		0			Cc1ccc(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)c2c1Oc1c(c(C(=O)N[C@H]3C(=O)N[C@H](C(C)C)C(=O)N4CCC[C@H]4C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@H]3C)c3nc(-c4c(F)c(F)c(F)c(F)c4F)oc3c1C)N2
1020					0		0			Cc1c2oc3c(C)c(NCc4ccc[nH]4)cc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)c(N)c1=O
1021					0		0			Cc1c2oc3c(C)c4oc(-c5c(F)c(F)c(F)c(F)c5F)nc4c(C(=O)N[C@H]4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)cc1=O
1022					0		0			CCCCCCCOc1cc(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)c2nc3c(C(=O)N[C@H]4C(=O)N[C@@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N(C)[C@H](C(C)C)C(=O)O[C@H]4C)c(N)c(=O)c(C)c-3oc2c1C
1023					0		0			CCCCCCOc1cc(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)c2nc3c(C(=O)N[C@H]4C(=O)N[C@@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N(C)[C@H](C(C)C)C(=O)O[C@H]4C)c(N)c(=O)c(C)c-3oc2c1C
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1025					0		0			Cc1c2oc3c(C)c(NCc4ccccn4)cc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)c(N)c1=O
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1471					0		0			CC1CC2CCC(O2)C(C)C(=O)OC(C)CC2CCC(O2)C(C)C(=O)O1
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1485					0		0			CC1CC(=O)OC(C)C(O)C=CC(=O)OC(C)C(O)C=CC(=O)O1
1486					0		0			C[C@@H]1OC(=O)C[C@@H](C)OC(=O)/C=C\[C@@H](O)[C@H](C)OC(=O)CCC1=O
1487					0		0			C[C@H]1C/C=C\C(=O)O[C@@H](C)[C@H](O)/C=C\C(=O)O[C@H](C)CC(=O)O1
1488					0		0			C[C@H]1C/C=C\C(=O)O[C@@H](C)CC(=O)O[C@@H](C)[C@H](O)/C=C\C(=O)O1
1489					0		0			C[C@H]1C/C=C\C(=O)O[C@H](C)CC(=O)O[C@@H](C)[C@H](O)/C=C\C(=O)O1
1490					0		0			C[C@@H]1CCC(=O)/C=C\C(=O)O[C@H](C)CC[C@H](O)/C=C\C(=O)O1
1491					0		0			C[C@H]1/C=C\CC/C=C\C=C/C/C=C\CCC(=O)O1
1492					0		0			C[C@@H]1OC(=O)C[C@@H](C)OC(=O)/C=C\[C@H](O)[C@H](C)OC(=O)/C=C\C1=O
1493					0		0			C[C@@H]1CCC(=O)/C=C\C(=O)O[C@H](C)CCC(=O)/C=C\C(=O)O1
1494					0		0			C[C@H]1CCC(=O)/C=C\C(=O)O[C@H](C)CCC(=O)/C=C\C(=O)O1
1495					0		0			C[C@@H]1CCC(=O)/C=C/C(=O)O[C@H](C)CCC(=O)/C=C/C(=O)O1
1496					0		0			O=C1CCCCCCCCCCC(O)CCCO1
1497					0		0			O=C1CCCCCCCCCCCCCCO1
1498					0		0			O=C1CCCCCCCCCC/C(=N\O)CCCO1
1499					0		0			O=C1CCCCCCCCCCC(=O)OCCC1
1500					0		0			O=C1CCCCCCCCCCCNCCO1
1501					0		0			O=C1CCCCCCCCCCC(=O)OCCO1
1502					0		0			O=C1CCCCCCCCC(=O)OCCCCO1
1503					0		0			C[C@@H]1OC(=O)/C=C\[C@@H](O)[C@H](C)OC(=O)C[C@@H](C)OC(=O)/C=C\[C@H]1O
1504					0		0			C[C@H]1CC(=O)O[C@@H](C)[C@H](O)/C=C\C(=O)O[C@@H](C)[C@H](O)/C=C\C(=O)O1
1505					0		0			C[C@H]1CC(=O)O[C@@H](C)[C@@H](O)/C=C\C(=O)O[C@@H](C)[C@H](O)/C=C\C(=O)O1
1506					0		0			CC1CCCCCCCCCCCCCC(=O)O1
1507					0		0			C[C@@]12CSC(=N1)c1csc(n1)CNC(=O)C[C@@H](/C=C/CCS)OC(=O)CNC2=O
1508					0		0			CC1CCC(NS(C)(=O)=O)CCCCCCCCCCC(=O)O1
1509					0		0			CO[C@H]1CCCCCCCCC[C@@H](C)OC(=O)CCC1=O
1510					0		0			CO[C@H]1CCCCCCCCC[C@@H](C)OC(=O)C2OC2C1=O
1511					0		0			CO[C@H]1CCCCCCCCC[C@@H](C)OC(=O)/C=C/C1=O
1512					0		0			CO[C@H]1CC(=O)[C@@H](C)OC(=O)C[C@H](C)OC(=O)/C=C\[C@@H](O)[C@H](C)OC1=O
1513					0		0			CS(=O)(=O)NC1CCCCCCCCCCC(=O)OCCC1
1514					0		0			CC1CCCCCCCCCCCCCOC1=O
1515					0		0			C[C@@H]1CCCCCCCCCCCCCC(=O)O1
1516					0		0			C[C@@H]1CCCCCCCCCCCCC(=O)OC1
1517					0		0			CC1C/C=C/C=C/CCCCC(O)C/C=C/C(=O)O1
1518					0		0			C[C@@H]1CC[C@H](O)CCC(=O)O[C@H](C)CC[C@H](O)CCC(=O)O1
1519					0		0			C[C@@H]1CCCCCCCCC[C@H](O)C(=O)/C=C/C(=O)O1
1520					0		0			CC1CCC/C=C/CCC(O)CCC(O)/C=C/C(=O)O1
1521					0		0			C[C@@H]1OC(=O)CC[C@@H](O)[C@H](C)OC(=O)C[C@@H](C)OC(=O)/C=C\[C@H]1O
1522					0		0			C[C@@H]1CC[C@H](O)/C=C\C(=O)O[C@H](C)CC[C@H](O)/C=C\C(=O)O1
1523					0		0			C[C@H]1CC[C@@H](O)/C=C\C(=O)O[C@@H](C)CC[C@@H](O)/C=C\C(=O)O1
1524					0		0			CC1CCC(O)/C=C/C(=O)OC(C)CCC(O)/C=C/C(=O)O1
1525					0		0			CC1CCC(O)C=CC(=O)OC(C)CCC(O)C=CC(=O)O1
1526					0		0			C[C@@H]1CCC(=O)CCC(=O)O[C@H](C)CC[C@H](O)/C=C\C(=O)O1
1527					0		0			O=C1CCCCCCCCCCC(NS(=O)(=O)c2ccc(Cl)cc2)CCCO1
1528					0		0			O=C1CCCCCCCCCCC(NS(=O)(=O)c2ccc(F)cc2)CCCO1
1529					0		0			C/C(=C\c1csc(C)n1)[C@@H]1C/C=C\CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)[C@H](C)[C@@H](O)CC(=O)O1
1530					0		0			Cc1cc(Cl)ccc1OCC(=O)O/N=C1\CCCCCCCCCCC(=O)OCCC1
1531					0		0			CC1CCC(=NOC(=O)COc2ccc(Cl)cc2)CCCCCCCCCCC(=O)O1
1532					0		0			CC(Oc1ccc(Cl)cc1)C(=O)ON=C1CCCCCCCCCCC(=O)OCCC1
1533					0		0			CC(Oc1ccccc1Cl)C(=O)ON=C1CCCCCCCCCCC(=O)OCCC1
1534					0		0			CC(Oc1cccc(Cl)c1)C(=O)ON=C1CCCCCCCCCCC(=O)OCCC1
1535					0		0			CC1CCC(=NOC(=O)COc2ccc(Cl)cc2Cl)CCCCCCCCCCC(=O)O1
1536					0		0			CC(Oc1ccc(Cl)cc1Cl)C(=O)ON=C1CCCCCCCCCCC(=O)OCCC1
1537					0		0			CC1CCC(=NOC(=O)COc2ccc(Br)cc2Cl)CCCCCCCCCCC(=O)O1
1538					0		0			CC(=O)CC(=O)NC/C=C/[C@@H]1CC(=O)NCc2nc(cs2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1
1539					0		0			CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O)[C@@H]([C@H](C)O)C[C@@H](C)C(=O)/C=C\C(C)=C/[C@@H]1CO
1540					0		0			CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O)[C@@H]([C@H](C)O)C[C@@H](C)C(=O)/C=C\C(C)=C/[C@@H]1C
1541					0		0			CC[C@H]1C[C@@H](C)C(=O)/C=C\C(C)=C/[C@H](C)[C@@H]([C@H](C)O)OC(=O)C[C@@H](O)[C@H](C)[C@H]1O
1542					0		0			CCC[C@@H]1OC(=O)[C@@H](C)[C@@H]2CC[C@H](C[C@@H](C)OC(=O)[C@@H](C)[C@H]3CC[C@H](O3)[C@H]1C)O2
1543					0		0			CC[C@H]1C[C@@H](C)C(=O)/C=C\C(C)=C/[C@H](CO)[C@@H](CC)OC(=O)C[C@@H](O)[C@H](C)[C@H]1O
1544					0		0			CC[C@H]1C[C@@H](C)C(=O)/C=C\C(C)=C/[C@@H](C)[C@@H](CC)OC(=O)C[C@@H](O)[C@H](C)[C@H]1O
1545					0		0			CC[C@@H]1C[C@H](C)C(=O)/C=C\C(C)=C/[C@H](C)[C@@H](CC)OC(=O)C[C@@H](O)[C@@H](C)[C@H]1O
1546					0		0			CC[C@H]1C[C@@H](C)C(=O)/C=C\C(C)=C/[C@H](C)[C@@H](CC)OC(=O)C[C@@H](O)[C@H](C)[C@H]1O
1547					0		0			CCC1CC(C)C(=O)/C=C\C(C)=C/C(C)C(CC)OC(=O)CC(O)C(C)C1O
1548					0		0			CC1CCC(NS(=O)(=O)Cc2ccccc2)CCCCCCCCCCC(=O)O1
1549					0		0			Cc1ccc(S(=O)(=O)NC2CCCCCCCCCCC(=O)OC(C)CC2)cc1
1550					0		0			CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C\C(C)=C/[C@@H]1CO
1551					0		0			CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@H]2O[C@@H](O)C[C@H]2C[C@@H](C)C(=O)/C=C\C(C)=C/[C@@H]1CO
1552					0		0			Cc1cc(Cl)ccc1OCC(=O)ON=C1CCCCCCCCCCC(=O)OCCC1
1553					0		0			Cc1cc(Cl)ccc1OCC(=O)O/N=C1/CCCCCCCCCCC(=O)OCCC1
1554					0		0			O=C1CCCCCCCCCCC(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCCO1
1555					0		0			Cc1ccc(C)c(/N=C2/N=NC3(CCCCCCCCCCC(=O)OCCC3)S2)c1
1556					0		0			C/C(=C\c1csc(C)n1)[C@@H]1C/C=C/CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)[C@@H](C)[C@@H](O)CC(=O)O1
1557					0		0			C/C(=C\c1csc(C)n1)[C@@H]1C/C=C/CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)[C@H](C)[C@@H](O)CC(=O)O1
1558					0		0			CC(C)(Oc1ccccc1)C(=O)ON=C1CCCCCCCCCCC(=O)OCCC1
1559					0		0			Cc1ccc(OC(C)C(=O)ON=C2CCCCCCCCCCC(=O)OCCC2)cc1
1560					0		0			Cc1ccc(OCC(=O)ON=C2CCCCCCCCCCC(=O)OCCC2)cc1C
1561					0		0			Cc1cccc(OCC(=O)ON=C2CCCCCCCCCCC(=O)OCCC2)c1C
1562					0		0			CC(C)(Oc1ccc(Cl)cc1)C(=O)ON=C1CCCCCCCCCCC(=O)OCCC1
1563					0		0			Cc1cc(OC(C)C(=O)ON=C2CCCCCCCCCCC(=O)OCCC2)ccc1Cl
1564					0		0			Cc1cc(OCC(=O)ON=C2CCCCCCCCCCC(=O)OC(C)CC2)ccc1Cl
1565					0		0			Cc1cc(Cl)ccc1OCC(=O)ON=C1CCCCCCCCCCC(=O)OC(C)CC1
1566					0		0			CC1CCC(=NOC(=O)C(C)Oc2ccc(Cl)cc2)CCCCCCCCCCC(=O)O1
1567					0		0			C/C(=C\c1csc(C)n1)[C@@H]1C/C=C\CCC(=O)[C@H](C)[C@H](O)[C@@H](C)C(=O)[C@@H](C)[C@@H](O)CC(=O)O1
1568					0		0			CC(=O)SCC/C=C/[C@@H]1CC(=O)NCc2cc(ccn2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1
1569					0		0			NC(=O)c1cccc(NC2C(=O)NCc3cccc(c3)NC(=O)OCCc3ccc2cc3)c1
1570					0		0			CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@H]2O[C@@H](OC)C[C@H]2C[C@@H](C)C(=O)/C=C\C(C)=C/[C@@H]1CO
1571					0		0			C[C@@H]1CCCCCCCCC[C@H](OC(=O)CCC(=O)OC(C)(C)C)C(=O)/C=C/C(=O)O1
1572					0		0			COC(=O)c1ccccc1S(=O)(=O)NC1CCCCCCCCCCC(=O)OC(C)CC1
1573					0		0			COc1ccc(OCC(=O)ON=C2CCCCCCCCCCC(=O)OCCC2)cc1
1574					0		0			Cc1ccc(OCC(=O)ON=C2CCCCCCCCCCC(=O)OCCC2)cc1
1575					0		0			Cc1ccccc1OCC(=O)ON=C1CCCCCCCCCCC(=O)OCCC1
1576					0		0			CC(Oc1ccccc1)C(=O)ON=C1CCCCCCCCCCC(=O)OCCC1
1577					0		0			COC(=O)c1ccccc1S(=O)(=O)NC1CCCCCCCCCCC(=O)OCCC1
1578					0		0			CO[C@H]1CCCCCCCCC[C@@H](C)OC(=O)C(S(=O)(=O)c2ccccc2)CC1=O
1579					0		0			CO[C@H]1CCCCCCCCC[C@@H](C)OC(=O)C(Sc2ccccc2)CC1=O
1580					0		0			O=C1CCCCCCCCCCC(=NOC(=O)COc2ccccc2)CCCO1
1581					0		0			O=C1CCCCCCCCCCC(=NOCc2ccccc2)CCCO1
1582					0		0			CC1CCC(NS(=O)(=O)c2cc(Cl)ccc2Cl)CCCCCCCCCCC(=O)O1
1583					0		0			O=C1CCCCCCCCCCC(=NOCc2ccc(Cl)cc2)CCCO1
1584					0		0			O=C1CCCCCCCCCCC(=NOCc2c(F)cccc2Cl)CCCO1
1585					0		0			CCC/C=C/[C@@H]1CC(=O)NCc2nc(cs2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1
1586					0		0			O=C1CCCCCCCCCCC2(CCCO1)N=N/C(=N/c1ccccc1Cl)S2
1587					0		0			O=C1CCCCCCCCCCC2(CCCO1)N=N/C(=N/c1ccc(Cl)cc1)S2
1588					0		0			O=C1CCCCCCCCCCC2(CCCO1)N=N/C(=N/c1ccccc1Br)S2
1589					0		0			O=C1CCCCCCCCCCC2(CCCO1)N=N/C(=N/c1ccc(Br)cc1)S2
1590					0		0			CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(n2)CNC(=O)C[C@@H](/C=C/CCC(=O)O)OC1=O
1591					0		0			CC[C@@H]1C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O[C@H](C)C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O1
1592					0		0			CCC1CC2CCC(O2)C(C)C(=O)OC(C)CC2CCC(O2)C(C)C(=O)O1
1593					0		0			CC[C@H]1OC(=O)C[C@H](O)[C@H](C)C(=O)[C@@H](C)C[C@@H](C)[C@H](O)/C=C\C=C/[C@@H]1C
1594					0		0			CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)C(=O)[C@@H](C)C[C@@H](C)[C@H](O)/C=C\C=C/[C@@H]1C
1595					0		0			O=C1CCCCCCCCCCC(NS(=O)(=O)c2ccccc2)CCCO1
1596					0		0			CC[C@H]1OC(=O)C[C@H](O)[C@H](C)C(=O)[C@@H](C)C[C@@H](C)C(=O)/C=C\C=C/[C@@H]1C
1597					0		0			CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)C(=O)[C@@H](C)C[C@@H](C)C(=O)/C=C\C=C/[C@@H]1C
1598					0		0			CC[C@H]1OC(=O)/C=C\[C@H](C)[C@@H](O)[C@@H](C)C[C@@H](C)C(=O)/C=C\C=C/[C@@H]1CO
1599					0		0			CC[C@H]1OC(=O)/C=C\[C@H](C)[C@@H](O)[C@H](C)C[C@@H](C)C(=O)/C=C\C=C/[C@@H]1CO
1600					0		0			CC[C@@H]1OC(=O)/C=C\[C@H](C)[C@H](O)[C@H](C)C[C@@H](C)C(=O)/C=C\C=C/[C@@H]1C
1601					0		0			O=C1CCCCCCCCCCC(NS(=O)(=O)c2ccccc2[N+](=O)[O-])CCCO1
1602					0		0			C/C1=C/C(=O)O[C@@H](C[C@@H](O)[C@@H]2CSC(=O)N2)C[C@H](O)CC[C@H](C)/C=C\C=C/CC1
1603					0		0			CC1CCC(NS(=O)(=O)c2ccc(Cl)cc2)CCCCCCCCCCC(=O)O1
1604					0		0			CC1CCC(NS(=O)(=O)c2ccccc2Cl)CCCCCCCCCCC(=O)O1
1605					0		0			O=C1CCCCCCCCCCC(=NOC(=O)COc2ccc(Br)cc2Cl)CCCO1
1606					0		0			O=C1CCCCCCCCCCC(=NOC(=O)COc2cccc([N+](=O)[O-])c2)CCCO1
1607					0		0			O=C1CCCCCCCCCCC(=NOC(=O)COc2ccccc2Cl)CCCO1
1608					0		0			O=C1CCCCCCCCCC/C(=N/OC(=O)COc2ccc(Cl)cc2)CCCO1
1609					0		0			O=C1CCCCCCCCCC/C(=N\OC(=O)COc2ccc(Cl)cc2)CCCO1
1610					0		0			O=C1CCCCCCCCCCC(=NOC(=O)COc2ccc(Cl)cc2)CCCO1
1611					0		0			O=C1CCCCCCCCCCC(=NOC(=O)COc2cccc(Cl)c2)CCCO1
1612					0		0			O=C1CCCCCCCCCCC(=NOC(=O)COc2ccc(Cl)cc2Cl)CCCO1
1613					0		0			O=C1CCCCCCCCCC/C(=N/OC(=O)COc2ccc(Br)cc2Cl)CCCO1
1614					0		0			O=C1CCCCCCCCCC/C(=N\OC(=O)COc2ccc(Br)cc2Cl)CCCO1
1615					0		0			CCCCCCCON=C1CCCCCCCCCCC(=O)OCCC1
1616					0		0			CC1CCC(NS(=O)(=O)c2ccc(F)cc2)CCCCCCCCCCC(=O)O1
1617					0		0			C[C@@H]1CCC[C@H]([C@@H]2CNC(N)=N2)C(=O)OC[C@H](C)CCC[C@H]([C@@H]2CNC(N)=N2)C(=O)OC1
1618					0		0			CC1CCCC(C2CNC(N)=N2)C(=O)OCC(C)CCCC(C2CNC(N)=N2)C(=O)OC1
1619					0		0			CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O)[C@@H](C)C[C@@H](C)C(=O)/C=C\C(C)=C/[C@@H]1CO
1620					0		0			O=C1CCCCCCCCCCC(NS(=O)(=O)Cc2ccccc2)CCCO1
1621					0		0			CC1CCC(NS(=O)(=O)c2ccccc2)CCCCCCCCCCC(=O)O1
1622					0		0			Cc1ccc(S(=O)(=O)NC2CCCCCCCCCCC(=O)OCCC2)cc1
1623					0		0			CC(=O)SCC/C=C/[C@H]1CC(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)NCC(=O)O1
1624					0		0			CC1CCC(NS(=O)(=O)c2ccccc2[N+](=O)[O-])CCCCCCCCCCC(=O)O1
1625					0		0			CC1CCC(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCCCCCCCCCC(=O)O1
1626					0		0			CCC(=O)O[C@H]1CC(=O)O[C@H](C)C/C=C\C=C/[C@H](O)[C@H](C)C[C@H](CC=O)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@@H](N(C)C)[C@H]2O)[C@@H]1OC
1627					0		0			CC[C@H]1OC(=O)CC[C@H](C)C(O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO
1628					0		0			C/C=C\C=C/C=C\C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1COC(=O)[C@@H]2C[C@@H](C)CN2C(=O)[C@H](C)NC(=O)[C@H](C)N(C)C(=O)[C@@H]2CCCN2C1=O
1629					0		0			CO[C@H]1[C@H](OC[C@H]2/C=C\C=C/C(=O)[C@H](C)C[C@H](C)[C@H](O[C@@H]3O[C@H](C)C[C@](O)([C@H](C)O)[C@H]3O)[C@@H](C)/C=C\C(=O)O[C@@H]2C)O[C@H](C)[C@@H](O)[C@H]1OC
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1899					0		0			CCC1OC(=O)CC(O)C(C)C(O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)C(CC=O)CC(C)C(=O)/C=C/C(C)=C/C1C
1900					0		0			CC[C@H]1C[C@@H](C)C(=O)/C=C\C(C)=C/[C@H](C)[C@@H](CC)OC(=O)C[C@@H](O)[C@H](C)[C@H]1O[C@H]1O[C@H](C)C[C@H](N(C)C)[C@@H]1O
1901					0		0			CC[C@H]1C[C@@H](C)C(=O)/C=C\[C@]2(C)O[C@H]2[C@H](C)[C@@H](CC)OC(=O)C[C@@H](O)[C@H](C)[C@H]1O[C@H]1O[C@H](C)C[C@@H](N(C)C)[C@H]1O
1902					0		0			CC[C@H]1C[C@@H](C)C(=O)/C=C/C(C)=C/[C@H](C)[C@@H](CC)OC(=O)C[C@@H](O)[C@H](C)[C@H]1O[C@@H]1O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]1O
1903					0		0			CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](N2CCCC2)NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c2ccccc2)OC1=O
1904					0		0			CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)C(C=O)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1COCOC
1905					0		0			CCC(=O)O[C@H]1CC(=O)O[C@H](C)C/C=C\C=C/[C@H](C)[C@H](C)C[C@H](CC=O)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@@H](N(C)C)[C@H]2O)[C@@H]1OC
1906					0		0			CC(=O)O[C@H]1C[C@H](C[C@@H](C)OC(C)=O)OC(=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)C[C@H](C[C@@H](C)OC(C)=O)OC(=O)[C@@H](C)[C@@H](O)[C@H]1C
1907					0		0			CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](OC(C)=O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1OC(C)=O
1908					0		0			COC1C(OCC2C(C)OC(=O)/C=C\C(C)C(OC3OC(C)CC(O)C3O)CCC(C)(O)C(=O)/C=C\C3OC32)OC(C)C(O)C1O
1909					0		0			COC1C(OCC2C(C)OC(=O)/C=C\C(C)C(OC3OC(C)CC(O)C3O)CCC(C)C(=O)/C=C\C3OC32)OC(C)C(O)C1O
1910					0		0			CC(C)C[C@@H]1NC(=O)[C@@H](CC(C)C)NC(=O)CCN(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)OC1=O
1911					0		0			CC(=O)NCCCC[C@H]1C(=O)C(C)(C)[C@@H](O)CC(=O)O[C@H](/C(C)=C/c2csc(C)n2)C[C@@H]2O[C@]2(C)CCC[C@H](C)[C@@H]1O
1912					0		0			CC(C)C[C@@H]1NC(=O)[C@@H](CC(C)C)OC(=O)CCN(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)OC1=O
1913					0		0			CN(C)[C@@H]1[C@H](O)[C@H](O)[C@@H](O[C@]23C=CC=C2c2c4ccc(c2Cl)[C@@H](O)COC(=O)CC(N)c2cc(O)c(c(Cl)c2)O[C@H]43)OC1(C)C
1914					0		0			CC[C@H]1OC(=O)C[C@@H](O)[C@@H](C)[C@@H](O[C@H]2O[C@@H](C)C[C@@H](N(C)C)[C@@H]2O)[C@H](CCO)C[C@H](C)C(=O)/C=C\C(C)=C/[C@@H]1C
1915					0		0			CN(C)[C@H]1[C@@H](O)[C@@H](O)[C@H](O[C@]23C=CC=C2c2c4ccc(c2Cl)[C@@H](O)COC(=O)C[C@H](N)c2cc(O)c(c(Cl)c2)O[C@H]43)OC1(C)C
1916					0		0			CCCCCCCCCCCCCCCCON=C1CCCCCCCCCCC(=O)OCCC1
1917					0		0			CCC[C@@H](CC[C@@H](C)[C@@H]1OC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)CCO)N(C)C(=O)[C@]2(C)CSC(=N2)[C@H](C)NC(=O)C1(C)C)OC
1918					0		0			CCC[C@@H](CC[C@@H](C)[C@@H]1OC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)CC)N(C)C(=O)[C@]2(C)CSC(=N2)[C@H](C)NC(=O)C1(C)C)OC
1919					0		0			CC[C@H]1OC(=O)C[C@@H](O)[C@@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O)/C=C\[C@@]2(C)O[C@H]2[C@H]1C
1920					0		0			CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@H](O[C@H]2O[C@@H](C)C[C@@H](N(C)C)[C@@H]2O)[C@H](CCO)C[C@H](C)C(=O)/C=C\[C@]2(C)O[C@H]2[C@@H]1C
1921					0		0			CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCO)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1C
1922					0		0			CC[C@H]1C[C@@H](C)C(=O)/C=C/C(C)=C/[C@H](CO)[C@@H](CC)OC(=O)C[C@@H](O)[C@H](C)[C@H]1O[C@@H]1O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]1O
1923					0		0			CC[C@H]1OC(=O)C[C@@H](O)[C@@H](C)[C@@H](O[C@H]2O[C@@H](C)C[C@@H](N(C)C)[C@@H]2O)[C@H](CCO)C[C@H](C)C(=O)/C=C\C(C)=C/[C@@H]1CO
1924					0		0			COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H](C(=O)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1
1925					0		0			COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)/C=C/c3ccccc3)OC(=O)[C@H](C(C)C)OC(=O)[C@H](C)CNC2=O)cc1Cl
1926					0		0			CO[C@H]1C[C@@H](C)O[C@@H](O[C@H]2[C@@H](C)/C=C\C(=O)O[C@@H](C)[C@@H](CO[C@@H]3O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]3OC)[C@@H]3O[C@@H]3/C=C\C(=O)[C@@](C)(O)C[C@H]2C)[C@@H]1O
1927					0		0			COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1
1928					0		0			COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)C3OC3c3ccccc3)OC(=O)[C@H](CC(C)C)CC(=O)CCNC2=O)cc1
1929					0		0			COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H](O)[C@@H](I)c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1Cl
1930					0		0			COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H](O)[C@@H](Cl)c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1Cl
1931					0		0			COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H](O)[C@@H](Br)c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1Cl
1932					0		0			CC[C@H](C)[C@@H]1OC(=O)[C@H](C)CNC(=O)[C@@H](Cc2ccc(OC)c(Cl)c2)NC(=O)/C=C\C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC1=O
1933					0		0			COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1Cl
1934					0		0			COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)[C@@H]3O[C@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1Cl
1935					0		0			COc1ccc(C[C@@H]2NC(=O)/C=C\C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1Cl
1936					0		0			COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1Cl
1937					0		0			COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1Cl
1938					0		0			COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1Cl
1939					0		0			COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H]3O[C@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1Cl
1940					0		0			COc1ccc(CC2NC(=O)/C=C/CC(C(C)C3OC3c3ccccc3)OC(=O)C(CC(C)C)OC(=O)C(C)CNC2=O)cc1Cl
1941					0		0			CC[C@H](C)[C@@H]1OC(=O)[C@H](C)CNC(=O)[C@@H](Cc2ccc(OC)c(Cl)c2)NC(=O)/C=C\C[C@@H]([C@H](C)/C=C/c2ccccc2)OC1=O
1942					0		0			COc1ccc(C[C@@H]2NC(=O)/C=C\C[C@@H]([C@H](C)/C=C/c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1Cl
1943					0		0			COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H](C(C#Cc3ccccc3)OS(C)(=O)=O)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1
1944					0		0			COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H](C(C#Cc3ccccc3)OS(C)(=O)=O)OC(=O)[C@H](CC(C)C)OC(=O)[C@@H](C)CNC2=O)cc1
1945					0		0			COc1c(Cl)cc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1Cl
1946					0		0			COc1c(Cl)cc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)/C=C/c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1Cl
1947					0		0			CC[C@H]1OC(=O)CC(O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](CCNC(CO)CO)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1C
1948					0		0			CC[C@H]1OC(=O)CC(O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](CCNCC(O)CO)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1C
1949					0		0			COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@@H](C)/C=C/c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1
1950					0		0			COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)/C=C/c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1
1951					0		0			COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H](C/C=C/c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1Cl
1952					0		0			COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1
1953					0		0			COC1CC(C)OC(OC2C(C)/C=C\C(=O)OC(C)C(COC3OC(C)C(O)C(OC)C3OC)C3OC3/C=C\C(=O)C(C)(O)CC2C)C1O
1954					0		0			CO[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2[C@@H](C)/C=C/C(=O)O[C@H](C)[C@@H](CO[C@@H]3O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]3OC)[C@@H]3O[C@H]3/C=C/C(=O)[C@@](C)(O)C[C@@H]2C)[C@@H]1O
1955					0		0			CC[C@H]1OC(=O)C[C@@H](OC(C)=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)C[C@H](N(C)C)[C@H]2OC(C)=O)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C\[C@]2(C)O[C@H]2[C@@H]1C
1956					0		0			CO/C1=C\C(C)=C\[C@@H](C)C(=O)[C@@H](C)C/C(C)=C/C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)CC(=O)[C@H](C)[C@@H](C(C)C)O2)OC1=O
1957					0		0			CO[C@@H]1/C=C\C=C(\C)C[C@H](C)[C@H](O)[C@H](C)/C=C(C)\C=C(\C)C(=O)O[C@H]1/C(C)=C/[C@H](C)C1=CC=C(C)[C@H](C(C)C)O1
1958					0		0			C#CCCCC1NC(=O)[C@H](C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccc(OC)cc2)N(C)C(=O)C(C(C)CC)OC(=O)C1C
1959					0		0			C#CCCC[C@@H]1NC(=O)[C@H](C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccc(OC)cc2)N(C)C(=O)[C@H]([C@@H](C)CC)OC(=O)[C@@H]1C
1960					0		0			CO/C1=C\C(C)=C\C(C)C(=O)[C@@H](C)C/C(C)=C/C=C/C(OC)[C@@H]([C@@H](C)C(=O)[C@H](C)C2=CC(=O)[C@H](C)[C@@H](C(C)C)O2)OC1=O
1961					0		0			CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](CC2CCCCC2)NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c2ccccc2)OC1=O
1962					0		0			CO[C@@H](/C(C)=C/C=C/C(C)=C\c1coc(C)n1)[C@@H](C)[C@@H]1C[C@H](O)[C@@]2(C)O[C@@H]2/C=C\[C@@H](C)[C@H](O)C[C@H](CC(=O)O)C/C=C\C(=O)O1
1963					0		0			CO[C@@H](/C(C)=C/C=C/C(C)=C/c1coc(C)n1)[C@@H](C)[C@@H]1C[C@H](O)[C@@]2(C)O[C@@H]2/C=C\[C@@H](C)[C@H](O)C[C@H](CC(=O)O)C/C=C\C(=O)O1
1964					0		0			COC(=O)C[C@@H]1C/C=C\C(=O)O[C@@H]([C@H](C)[C@@H](O)/C(C)=C/C=C/C(C)=C/c2coc(C)n2)C[C@H](O)[C@]2(C)O[C@@H]2/C=C\[C@@H](C)[C@H](O)C1
1965					0		0			COC(=O)C[C@@H]1C/C=C\C(=O)O[C@H]([C@H](C)[C@@H](O)/C(C)=C/C=C/C(C)=C/c2coc(C)n2)C[C@H](O)[C@@]2(C)O[C@@H]2/C=C\[C@@H](C)[C@H](O)C1
1966					0		0			COC(/C(C)=C/C=C/C(C)=C/c1coc(C)n1)C(C)C1CC(O)C2(C)OC2C=CC(C)C2CC(CC(=O)O2)CC2OC2C(=O)O1
1967					0		0			CO[C@@H](/C(C)=C/C=C/C(C)=C/c1coc(C)n1)[C@@H](C)[C@@H]1C[C@H](O)[C@@]2(C)O[C@@H]2/C=C\[C@@H](C)[C@H]2C[C@H](CC(=O)O2)C[C@@H]2O[C@H]2C(=O)O1
1968					0		0			CO[C@@H](/C(C)=C/C=C/C(C)=C/c1coc(C)n1)[C@@H](C)[C@@H]1C[C@H](O)[C@@]2(C)O[C@@H]2/C=C\[C@@H](C)[C@H]2C[C@@H](C/C=C\C(=O)O1)CC(=O)O2
1969					0		0			CO[C@@H](/C(C)=C/C=C/C(C)=C/c1coc(C)n1)[C@@H](C)[C@@H]1C[C@H](O)/C(C)=C\C=C/[C@@H](C)[C@H]2C[C@@H](C/C=C\C(=O)O1)CC(=O)O2
1970					0		0			C=C=CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1COC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@@H](C)N(C)C(=O)[C@@H]2CC[C@@H](CC)N2C1=O
1971					0		0			C/C=C/C=C/C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1COC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](C)N(C)C(=O)[C@@H]2CCCN2C1=O
1972					0		0			C/C=C/C=C/C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1COC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@@H](C)N(C)C(=O)[C@@H]2CCCN2C1=O
1973					0		0			COc1ccc(C[C@H]2NC(=O)C[C@H](O)C[C@@H]([C@H](C)/C=C/c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1Cl
1974					0		0			CC[C@H]1OC(=O)CC(O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)CCO)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1C
1975					0		0			CC[C@H]1OC(=O)CC(O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](CCN(C)CC)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1C
1976					0		0			CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H](N(C)C)[C@@H]2O)[C@@H](C[C@@H](O)SC[C@H](N)C(=O)O)C[C@@H](C)C(=O)CC[C@]2(C)O[C@H]2[C@@H]1C
1977					0		0			CCC[C@H]1C[C@@H]2CC[C@@H](O2)[C@H](C)C(=O)O[C@@H]([C@H](C)[C@H]2CC[C@@H](C[C@@H](CCC)NC)O2)[C@H](C)[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O1
1978					0		0			C/C(=C\c1csc(C)n1)[C@@H]1C/C=C\CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)[C@](C)(CCOC(=O)c2cccc(N=[N+]=[N-])c2)[C@@H](O)CC(=O)O1
1979					0		0			COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H](C(O)CCc3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1
1980					0		0			COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)C3OC3c3ccccc3)OC(=O)[C@H](CC(C)C)NC(=O)CCNC2=O)cc1
1981					0		0			COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@](C)(O)/C=C\c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)cc1
1982					0		0			COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@@](C)(O)/C=C\c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)cc1
1983					0		0			COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H](C(O)/C=C/c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1
1984					0		0			COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](C(C)(C)C)OC(=O)CCNC2=O)cc1
1985					0		0			COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)cc1
1986					0		0			COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)cc1
1987					0		0			COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c3ccccc3)OC(=O)[C@@H](CC(C)C)OC(=O)CCNC2=O)cc1
1988					0		0			COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H](C/C=C/c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1
1989					0		0			CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](c2ccc(O)cc2)NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c2ccccc2)OC1=O
1990					0		0			CC(C)C[C@@H]1OC(=O)[C@H](C)CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)/C=C\C[C@@H]([C@H](C)/C=C/c2ccccc2)OC1=O
1991					0		0			CCC[C@@H]1OC(=O)[C@H](C)CNC(=O)[C@@H](Cc2ccc(OC)c(Cl)c2)NC(=O)/C=C\C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC1=O
1992					0		0			COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)cc1Cl
1993					0		0			COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H](C[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1Cl
1994					0		0			CC(C)C[C@@H]1OC(=O)[C@H](C)CNC(=O)[C@@H](Cc2ccc(O)c(Cl)c2)NC(=O)/C=C\C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC1=O
1995					0		0			CCC[C@@H]1OC(=O)[C@H](C)CNC(=O)[C@@H](Cc2ccc(OC)c(Cl)c2)NC(=O)/C=C\C[C@@H]([C@H](C)/C=C/c2ccccc2)OC1=O
1996					0		0			COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)/C=C/c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)cc1Cl
1997					0		0			COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c3ccccc3)OC(=O)[C@@H](CC(C)C)OC(=O)CCNC2=O)cc1Cl
1998					0		0			COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H](C/C=C/c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1Cl
1999					0		0			C/C1=C/C=C\[C@@H](C)[C@H]2C[C@@H](C/C=C\C(=O)O[C@H]([C@H](C)[C@@H](O)/C(C)=C/C=C/C(C)=C/c3coc(C)n3)C[C@@H]1O)CC(=O)O2
2000					0		0			CC(/C=C/C=C(\C)[C@H](O)[C@@H](C)[C@@H]1C[C@H](O)[C@@]2(C)O[C@@H]2/C=C\[C@@H](C)[C@H]2C[C@@H](C/C=C\C(=O)O1)CC(=O)O2)=C\c1coc(C)n1
2001					0		0			CC(/C=C/C=C(\C)[C@H](O)[C@@H](C)[C@@H]1C[C@H](O)[C@@]2(C)O[C@@H]2/C=C\[C@@H](C)[C@H]2C[C@H](CC(=O)O2)C[C@@H]2O[C@H]2C(=O)O1)=C\c1coc(C)n1
2002					0		0			CCC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](C)[C@H](O)CC(=O)O[C@H](CC)[C@@H](C)[C@@H]3O[C@@]3(C)/C=C/C(=O)[C@H](C)C[C@@H]2CC=O)O[C@H](C)C[C@@H]1N(C)C
2003					0		0			CCC[C@H]1C[C@@H]2CC[C@@H](O2)[C@H](C)C(=O)O[C@@H]([C@H](C)[C@H]2CC[C@@H](C[C@@H](CCC)N(C)C)O2)C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O1
2004					0		0			CCC[C@H]1C[C@@H]2CC[C@@H](O2)[C@H](C)C(=O)O[C@@H]([C@H](C)[C@H]2CC[C@@H](C[C@@H](CCC)NC)O2)C[C@@H]2CC[C@@H](O2)[C@@H](CC)C(=O)O1
2005					0		0			CC[C@H]1OC(=O)CC(O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](CCN2CC(O)C2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1C
2006					0		0			CC[C@H]1OC(=O)CC(O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](CCN2CCC2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1C
2007					0		0			CCC(=O)O[C@@H]1CC(=O)O[C@H](CC)[C@H](C)[C@@H]2O[C@]2(C)/C=C\[C@H](O)[C@H](C)C[C@H](CC=O)[C@H](O[C@@H]2O[C@@H](C)C[C@@H](N(C)C)[C@@H]2O)[C@@H]1C
2008					0		0			CC[C@@H]1O[C@](O)([C@H](C)[C@H](O)[C@H](C)[C@H]2OC(=O)/C(C)=C\C(C)=C/[C@H](C)[C@@H](O)[C@@H](C)C/C(C)=C\C=C/[C@@H]2OC)C[C@H](O)[C@@H]1C
2009					0		0			CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)C[C@@H](N(C)C)[C@@H]2O)[C@@H](C=C=CC(C)=O)C[C@@H](C)C(=O)CC[C@]2(C)O[C@H]2[C@@H]1C
2010					0		0			CCC1OC(=O)CC(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C/C=C/C(C)=O)CC(C)C(=O)/C=C\C2(C)OC2C1C
2011					0		0			CCC(=O)O[C@H]1[C@@H](O[C@@H]2[C@@H](C)[C@H](O)CC(=O)O[C@H](CC)[C@@H](C)[C@@H]3O[C@@]3(C)/C=C\C(=O)[C@H](C)C[C@@H]2CC=O)O[C@@H](C)C[C@H]1N(C)C
2012					0		0			CC[C@H](O)[C@@H](C)/C=C/C(=O)[C@H](C)[C@H](O)[C@H](C)[C@@H]1OC(=O)/C(C)=C\C(C)=C/[C@H](C)[C@@H](O)[C@@H](C)C/C(C)=C\C=C/[C@@H]1OC
2013					0		0			C/C1=C/C=C\[C@@H](C)[C@H](O)C[C@H](CC(=O)O)C/C=C\C(=O)O[C@H]([C@H](C)[C@@H](O)/C(C)=C/C=C/C(C)=C/c2coc(C)n2)C[C@@H]1O
2014					0		0			CC[C@H](O)[C@@H](C)/C=C/C(=O)[C@H](C)[C@H](O)[C@H](C)[C@H]1OC(=O)/C(C)=C\C(C)=C/[C@H](C)[C@@H](O)[C@H](C)C/C(C)=C\C=C/[C@@H]1OC
2015					0		0			CO[C@H]1C[C@@H](C)O[C@@H](O[C@@H]2CC[C@@](C)(O)C(=O)/C=C\[C@H]3O[C@H]3[C@H](CO[C@H]3O[C@@H](C)[C@H](O)[C@H](OC)[C@H]3OC)[C@@H](C)OC(=O)/C=C\[C@H]2C)[C@H]1O
2016					0		0			CO[C@@H]1[C@@H](OC[C@H]2[C@@H]3O[C@@H]3/C=C\C(=O)[C@](C)(O)CC[C@@H](O[C@H]3O[C@@H](C)C[C@@H](OC)[C@@H]3O)[C@H](C)/C=C\C(=O)O[C@@H]2C)O[C@@H](C)[C@H](O)[C@H]1OC
2017					0		0			C=CCNC(=O)OC[C@H]1/C=C(C)/C=C/C(=O)[C@H](C)CC(C=O)[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](C)[C@H](O)CC(=O)O[C@@H]1CC
2018					0		0			CC(=O)N(CCOc1ccccc1)C1CC(=O)[C@@H](OC(=O)CCC(=O)OC(C)(C)C)CCCCCCCCC[C@@H](C)OC1=O
2019					0		0			CC[C@@H]1OC(=O)C[C@@](O)(C/C=C/C=C(\C)[C@@H]2OC(=O)CC/C=C(/C)[C@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(N)=O)/C=C\C=C/[C@@H]2C)[C@H]1C
2020					0		0			COC(=O)/C=C1/C[C@H]2C[C@H]3CCC[C@@H](C[C@H](C)/C=C\[C@@H](C)[C@@H](/C=C/C=C\C=C(/C)CC(=O)OC)OC(=O)C[C@@H](C1)O2)O3
2021					0		0			CC(/C=C/C=C(\C)[C@H](O)[C@@H](C)[C@H]1C[C@H](O)[C@]2(C)O[C@H]2/C=C\[C@@H](C)[C@H](O)C[C@H](CC(=O)O)C/C=C\C(=O)O1)=C\c1coc(C)n1
2022					0		0			CC(/C=C/C=C(\C)[C@H](O)[C@@H](C)[C@@H]1C[C@H](O)[C@@]2(C)O[C@@H]2/C=C\[C@@H](C)[C@H](O)C[C@H](CC(=O)O)C/C=C\C(=O)O1)=C\c1coc(C)n1
2023					0		0			C/C=C(\NC(=O)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CO)NC(=O)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H]1CCCN1C(=O)/C(=C/C)NC(=O)CC(O)CCCCC)C(C)C)C(C)C)C(C)C)C(C)C)C(=O)N[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCO)C(=O)N[C@H](CCN)C(=O)N[C@@H](CCCCN)C(=O)O[C@@H]1C

373 KiB Executable File Raw Blame History

373 KiB

Executable File

Raw Blame History