0 B31R4.555688869 CCOC(=O)Cc1cc(ccn1)Sc2nccc(n2)Nc3cc([nH]n3)C4CC4 62a_100000716784_100010157381 [0,0,0,0,0,0|4,0,0]=4 1 B31R4.555688869 CCOC(=O)Cc1cccc(c1)Sc2nccc(n2)Nc3cc([nH]n3)C4CC4 62a_100011586817_100010157381 [0,0,0,0,0,0|3,0,0]=3 2 B31R4.555688869 CCOC(=O)Cc1cccc(n1)Sc2nccc(n2)Nc3cc([nH]n3)C4CC4 62a_100010230180_100010157381 [0,0,0,0,0,0|4,0,0]=4 3 B31R4.555688869 CCOC(=O)Cc1ccnc(c1)Sc2nccc(n2)Nc3cc([nH]n3)C4CC4 62a_100000696486_100010157381 [0,0,0,0,0,0|4,0,0]=4 4 B30R4.373765394 CCCCSc1cccc(c1)Sc2nccc(n2)Nc3cc([nH]n3)C4CC4 62a_100010128134_100010157381 [1,0,0,0,0,0|2,0,1]=4 5 B30R4.373765394 CCCNCc1cccc(c1)Sc2nccc(n2)Nc3cc([nH]n3)C4CC4 62a_100015184641_100010157381 [1,0,0,0,0,0|3,0,0]=4 6 B30R4.977347510 COC(=O)Cc1cccc(c1)Sc2nccc(n2)Nc3cc([nH]n3)C4CC4 62a_100000699549_100010157381 [1,0,0,0,0,0|3,0,0]=4 7 B32R4.441932292 CCOC(=O)Cc1cccc(c1C)Sc2nccc(n2)Nc3cc([nH]n3)C4CC4 62a_100000718334_100010157381 [0,1,0,0,0,0|3,0,0]=4 8 B32R4.715221015 CC(=O)CC(=O)Nc1cccc(c1)Sc2nccc(n2)Nc3cc([nH]n3)C4CC4 62a_100000187718_100010157381 [0,1,0,0,0,0|1,0,1]=3 9 B32R4.715221015 CC(C)CC(=O)Nc1cncc(c1)Sc2nccc(n2)Nc3cc([nH]n3)C4CC4 62a_100013068086_100010157381 [0,1,0,0,0,0|2,0,0]=3 10 B32R4.974932304 CCOC(=O)Cc1ccc(c(c1)Sc2nccc(n2)Nc3cc([nH]n3)C4CC4)C 62a_200010149176_100010157381 [0,1,0,0,0,0|3,0,0]=4 11 B32R4.974932304 CCOC(=O)Cc1ccc(c(c1)Sc2nccc(n2)Nc3cc([nH]n3)C4CC4)N 62a_200010232156_100010157381 [0,1,0,0,0,0|3,0,0]=4 12 B32R4.974932304 CCOC(=O)Cc1ccc(c(c1)Sc2nccc(n2)Nc3cc([nH]n3)C4CC4)O 62a_100010222481_100010157381 [0,1,0,0,0,0|3,0,0]=4 13 B32R5.5682087 O=C1CCCN1c2cccc(c2)Sc3nccc(n3)Nc4cc([nH]n4)C5CC5 62a_100000179030_100010157381 [0,0,0,1,0,0|1,0,0]=2 14 B32R5.5682087 O=C1NCCN1c2cccc(c2)Sc3nccc(n3)Nc4cc([nH]n4)C5CC5 62a_100011934983_100010157381 [0,0,0,1,0,0|2,0,0]=3 15 B32R5.34006313 O=C1CCCc2c(cccc2Sc3nccc(n3)Nc4cc([nH]n4)C5CC5)N1 62a_200000700058_100010157381 [0,0,0,1,0,0|1,0,0]=2 16 B30R4.77783831 CCOC(=O)Cc1cccc(c1)c2nccc(n2)Nc3cc([nH]n3)C4CC4 271570a_200010197828_100010157381 [0,0,0,0,1,0|2,0,0]=3 17 B30R4.281616162 CCNC(=O)c1cc(ccn1)Sc2nccc(n2)Nc3cc([nH]n3)C4CC4 62a_100000194128_100010157381 [0,0,0,0,1,0|3,0,0]=4 18 B30R4.281616162 CCNC(=O)c1cccc(c1)Sc2nccc(n2)Nc3cc([nH]n3)C4CC4 62a_100000155180_100010157381 [0,0,0,0,1,0|2,0,0]=3 19 B30R4.281616162 CCNC(=O)c1ccnc(c1)Sc2nccc(n2)Nc3cc([nH]n3)C4CC4 62a_100000229823_100010157381 [0,0,0,0,1,0|3,0,0]=4 20 B30R4.281616162 CCNC(=O)c1cncc(c1)Sc2nccc(n2)Nc3cc([nH]n3)C4CC4 62a_200000155184_100010157381 [0,0,0,0,1,0|3,0,0]=4 21 B30R4.281616162 CCOC(=O)c1cc(ccn1)Sc2nccc(n2)Nc3cc([nH]n3)C4CC4 62a_100010210110_100010157381 [0,0,0,0,1,0|3,0,0]=4 22 B30R4.281616162 CCOC(=O)c1cccc(c1)Sc2nccc(n2)Nc3cc([nH]n3)C4CC4 62a_100000170211_100010157381 [0,0,0,0,1,0|2,0,0]=3 23 B30R4.281616162 CCOC(=O)c1cccc(n1)Sc2nccc(n2)Nc3cc([nH]n3)C4CC4 62a_100000695914_100010157381 [0,0,0,0,1,0|3,0,0]=4 24 B30R4.281616162 CCOC(=O)c1ccnc(c1)Sc2nccc(n2)Nc3cc([nH]n3)C4CC4 62a_100012350809_100010157381 [0,0,0,0,1,0|3,0,0]=4 25 B30R4.281616162 CCOC(=O)c1cncc(c1)Sc2nccc(n2)Nc3cc([nH]n3)C4CC4 62a_100000170250_100010157381 [0,0,0,0,1,0|3,0,0]=4 26 B30R4.281616162 N#CCC(=O)c1cccc(c1)Sc2nccc(n2)Nc3cc([nH]n3)C4CC4 62a_100000740218_100010157381 [0,0,0,0,1,0|2,0,1]=4 27 B32R4.800046706 CCNC(=O)/C=C/c1cccc(c1)Sc2nccc(n2)Nc3cc([nH]n3)C4CC4 62a_200016266304_100010157381 [0,0,0,0,0,1|3,0,0]=4 28 B32R4.800046706 CCOC(=O)/C=C/c1cccc(c1)Sc2nccc(n2)Nc3cc([nH]n3)C4CC4 62a_200016304034_100010157381 [0,0,0,0,0,1|3,0,0]=4 29 B32R4.800046706 CCOC(=O)CCc1cccc(c1)Sc2nccc(n2)Nc3cc([nH]n3)C4CC4 62a_200000172381_100010157381 [0,0,0,0,0,1|3,0,0]=4 30 B32R4.800046706 CCOC(=O)CNc1cccc(c1)Sc2nccc(n2)Nc3cc([nH]n3)C4CC4 62a_200000219647_100010157381 [0,0,0,0,0,1|2,0,0]=3 31 B32R4.800046706 CCOC(=O)COc1cccc(c1)Sc2nccc(n2)Nc3cc([nH]n3)C4CC4 62a_100000170171_100010157381 [0,0,0,0,0,1|3,0,0]=4 32 B29R4.526889127 CCCCc1cccc(c1)Sc2nccc(n2)Nc3cc([nH]n3)C4CC4 62a_200010244551_100010157381 [2,0,0,0,0,0|1,0,1]=4 33 B29R4.526889127 CCCNc1cccc(n1)Sc2nccc(n2)Nc3cc([nH]n3)C4CC4 62a_200025756634_100010157381 [2,0,0,0,0,0|2,0,0]=4 34 B29R4.526889127 CCCOc1cccc(c1)Sc2nccc(n2)Nc3cc([nH]n3)C4CC4 62a_100000170004_100010157381 [2,0,0,0,0,0|2,0,0]=4 35 B29R4.526889127 CCCSc1cccc(c1)Sc2nccc(n2)Nc3cc([nH]n3)C4CC4 62a_200009815762_100010157381 [2,0,0,0,0,0|2,0,0]=4 36 B29R4.535185749 CC(=O)Cc1cccc(c1)Sc2nccc(n2)Nc3cc([nH]n3)C4CC4 62a_100000689217_100010157381 [2,0,0,0,0,0|2,0,0]=4 37 B31R4.267728885 CCCCNCc1cccc(c1)Sc2nccc(n2)Nc3cc([nH]n3)C4CC4 62a_100015186518_100010157381 [1,1,0,0,0,0|1,0,1]=4 38 B31R4.1162410294 CC(C)C(=O)Nc1cccc(c1)Sc2nccc(n2)Nc3cc([nH]n3)C4CC4 62a_200000153619_100010157381 [1,1,0,0,0,0|1,0,0]=3 39 B31R4.145125299 C#CCCC(=O)Nc1cccc(c1)c2nccc(n2)Nc3cc([nH]n3)C4CC4 271570a_200020143072_100010157381 [0,1,0,0,1,0|0,0,1]=3 40 B31R4.373866545 CC(C)OC(=O)Nc1cccc(c1)c2nccc(n2)Nc3cc([nH]n3)C4CC4 271570a_100010368435_100010157381 [0,1,0,0,1,0|1,0,0]=3 41 B31R4.423483616 CCNC(=O)c1cc(ccc1F)Sc2nccc(n2)Nc3cc([nH]n3)C4CC4 62a_100000155167_100010157381 [0,1,0,0,1,0|2,0,0]=4 42 B31R4.423483616 CCOC(=O)c1cc(ccc1Br)Sc2nccc(n2)Nc3cc([nH]n3)C4CC4 62a_200012360513_100010157381 [0,1,0,0,1,0|2,0,0]=4 43 B31R4.423483616 CCOC(=O)c1cc(ccc1C)Sc2nccc(n2)Nc3cc([nH]n3)C4CC4 62a_100012360117_100010157381 [0,1,0,0,1,0|2,0,0]=4 44 B31R4.423483616 CCOC(=O)c1cc(ccc1Cl)Sc2nccc(n2)Nc3cc([nH]n3)C4CC4 62a_200012339456_100010157381 [0,1,0,0,1,0|2,0,0]=4 45 B31R4.423483616 CCOC(=O)c1cc(ccc1F)Sc2nccc(n2)Nc3cc([nH]n3)C4CC4 62a_100000716760_100010157381 [0,1,0,0,1,0|2,0,0]=4 46 B31R4.423483616 CCOC(=O)c1cc(ccc1N)Sc2nccc(n2)Nc3cc([nH]n3)C4CC4 62a_100000747833_100010157381 [0,1,0,0,1,0|2,0,0]=4 47 B31R4.426556027 CCOC(=O)c1cccc(c1C)Sc2nccc(n2)Nc3cc([nH]n3)C4CC4 62a_100012298221_100010157381 [0,1,0,0,1,0|2,0,0]=4 48 B31R4.426556027 CCOC(=O)c1cccc(c1F)Sc2nccc(n2)Nc3cc([nH]n3)C4CC4 62a_100012350793_100010157381 [0,1,0,0,1,0|2,0,0]=4 49 B31R4.426556027 CCOC(=O)c1cccc(c1N)Sc2nccc(n2)Nc3cc([nH]n3)C4CC4 62a_200011356557_100010157381 [0,1,0,0,1,0|2,0,0]=4 50 B31R4.577996875 CCOC(=O)c1cc(cc(c1)Sc2nccc(n2)Nc3cc([nH]n3)C4CC4)Br 62a_200012351389_100010157381 [0,1,0,0,1,0|2,0,0]=4 51 B31R4.577996875 CCOC(=O)c1cc(cc(c1)Sc2nccc(n2)Nc3cc([nH]n3)C4CC4)F 62a_200011295119_100010157381 [0,1,0,0,1,0|2,0,0]=4 52 B31R4.840714816 CCNC(=O)c1ccc(c(c1)Sc2nccc(n2)Nc3cc([nH]n3)C4CC4)F 62a_200012359900_100010157381 [0,1,0,0,1,0|2,0,0]=4 53 B31R4.840714816 CCOC(=O)c1ccc(c(c1)Sc2nccc(n2)Nc3cc([nH]n3)C4CC4)C 62a_100012359631_100010157381 [0,1,0,0,1,0|2,0,0]=4 54 B31R4.840714816 CCOC(=O)c1ccc(c(c1)Sc2nccc(n2)Nc3cc([nH]n3)C4CC4)F 62a_100011934563_100010157381 [0,1,0,0,1,0|2,0,0]=4 55 B31R4.840714816 CCOC(=O)c1ccc(c(c1)Sc2nccc(n2)Nc3cc([nH]n3)C4CC4)N 62a_100161115259_100010157381 [0,1,0,0,1,0|2,0,0]=4 56 B31R4.1368093504 CC(C)CC(=O)c1cccc(c1)Sc2nccc(n2)Nc3cc([nH]n3)C4CC4 62a_100000723889_100010157381 [0,1,0,0,1,0|1,0,0]=3 57 B31R4.1368093504 CC(C)NC(=O)c1cccc(c1)Sc2nccc(n2)Nc3cc([nH]n3)C4CC4 62a_200000152632_100010157381 [0,1,0,0,1,0|2,0,0]=4 58 B31R5.2176333 C1=C(CCC1)c2cccc(c2)Sc3nccc(n3)Nc4cc([nH]n4)C5CC5 62a_200010203063_100010157381 [1,0,0,1,0,0|2,0,0]=4 59 B31R5.2176333 c1cc(cc(c1)N2CCCC2)Sc3nccc(n3)Nc4cc([nH]n4)C5CC5 62a_100020633440_100010157381 [1,0,0,1,0,0|1,0,1]=4 60 B31R5.14953034 c1cc(nc(n1)Sc2ccc3c(c2)NCCCC3)Nc4cc([nH]n4)C5CC5 62a_100010199521_100010157381 [1,0,0,1,0,0|1,0,1]=4 61 B31R5.4294771 O=C1CCc2c(cccc2Sc3nccc(n3)Nc4cc([nH]n4)C5CC5)C1 62a_100010138409_100010157381 [1,0,0,1,0,0|2,0,0]=4 62 B31R5.4294771 O=C1CCc2c(cccc2Sc3nccc(n3)Nc4cc([nH]n4)C5CC5)N1 62a_100010232564_100010157381 [1,0,0,1,0,0|1,0,0]=3 63 B31R5.4294771 O=C1CCc2c(cccc2Sc3nccc(n3)Nc4cc([nH]n4)C5CC5)O1 62a_200015620928_100010157381 [1,0,0,1,0,0|2,0,0]=4 64 B31R5.25249272 O=C1CCc2ccc(cc2C1)Sc3nccc(n3)Nc4cc([nH]n4)C5CC5 62a_100010138410_100010157381 [1,0,0,1,0,0|2,0,0]=4 65 B31R5.25249272 O=C1CCc2ccc(cc2N1)Sc3nccc(n3)Nc4cc([nH]n4)C5CC5 62a_100000763451_100010157381 [1,0,0,1,0,0|1,0,0]=3 66 B31R5.25249272 O=C1NCc2ccc(cc2N1)Sc3nccc(n3)Nc4cc([nH]n4)C5CC5 62a_100010161048_100010157381 [1,0,0,1,0,0|2,0,0]=4 67 B31R5.183936698 O=C(Nc1cc(ccn1)c2nccc(n2)Nc3cc([nH]n3)C4CC4)C5CC5 271570a_100000054231_100010157381 [0,0,0,1,1,0|1,0,0]=3 68 B31R5.41576376 O=C1CCCc2c1cccc2Sc3nccc(n3)Nc4cc([nH]n4)C5CC5 62a_100000691372_100010157381 [0,0,0,1,1,0|1,0,0]=3 69 B31R5.41576376 O=C1CCCc2c1cncc2Sc3nccc(n3)Nc4cc([nH]n4)C5CC5 62a_100010870523_100010157381 [0,0,0,1,1,0|2,0,0]=4 70 B31R5.41576376 O=C1CCNc2c1cccc2Sc3nccc(n3)Nc4cc([nH]n4)C5CC5 62a_115082355814_100010157381 [0,0,0,1,1,0|2,0,0]=4 71 B31R5.41576376 O=C1CCOc2c1cccc2Sc3nccc(n3)Nc4cc([nH]n4)C5CC5 62a_100000744318_100010157381 [0,0,0,1,1,0|2,0,0]=4 72 B31R5.41576376 O=C1CCSc2c1cccc2Sc3nccc(n3)Nc4cc([nH]n4)C5CC5 62a_100011271337_100010157381 [0,0,0,1,1,0|2,0,0]=4 73 B31R5.41576376 O=C1NCCc2c1cccc2Sc3nccc(n3)Nc4cc([nH]n4)C5CC5 62a_100000695023_100010157381 [0,0,0,1,1,0|2,0,0]=4 74 B31R5.161774074 O=C1CCCc2c1cc(cc2)Sc3nccc(n3)Nc4cc([nH]n4)C5CC5 62a_100000760428_100010157381 [0,0,0,1,1,0|1,0,0]=3 75 B31R5.161774074 O=C1CCCc2c1nc(cc2)Sc3nccc(n3)Nc4cc([nH]n4)C5CC5 62a_100000693748_100010157381 [0,0,0,1,1,0|2,0,0]=4 76 B31R5.161774074 O=C1CCNc2c1cc(cc2)Sc3nccc(n3)Nc4cc([nH]n4)C5CC5 62a_100000697366_100010157381 [0,0,0,1,1,0|2,0,0]=4 77 B31R5.161774074 O=C1CCOc2c1cc(cc2)Sc3nccc(n3)Nc4cc([nH]n4)C5CC5 62a_100000243215_100010157381 [0,0,0,1,1,0|2,0,0]=4 78 B31R5.161774074 O=C1CCSc2c1cc(cc2)Sc3nccc(n3)Nc4cc([nH]n4)C5CC5 62a_100000744447_100010157381 [0,0,0,1,1,0|2,0,0]=4 79 B31R5.161774074 O=C1COCc2c1cc(cc2)Sc3nccc(n3)Nc4cc([nH]n4)C5CC5 62a_100010205901_100010157381 [0,0,0,1,1,0|2,0,0]=4 80 B31R5.161774074 O=C1NCCc2c1cc(cc2)Sc3nccc(n3)Nc4cc([nH]n4)C5CC5 62a_100000688804_100010157381 [0,0,0,1,1,0|2,0,0]=4 81 B33R5.8814645 Cc1ccc(cc1Sc2nccc(n2)Nc3cc([nH]n3)C4CC4)N5CCCC5=O 62a_200011847981_100010157381 [0,1,0,1,0,0|1,0,0]=3 82 B33R5.8814645 O=C1NCCN1c2ccc(c(c2)Sc3nccc(n3)Nc4cc([nH]n4)C5CC5)F 62a_100013406036_100010157381 [0,1,0,1,0,0|2,0,0]=4 83 B33R5.9179164 O=C1CCCCN1c2cccc(c2)Sc3nccc(n3)Nc4cc([nH]n4)C5CC5 62a_100000217096_100010157381 [0,1,0,1,0,0|1,0,0]=3 84 B33R6.863368250 c1cc(nc(n1)Sc2ccc3c4c([nH]c3c2)CCC4)Nc5cc([nH]n5)C6CC6 62a_200016069341_100010157381 [0,0,0,2,0,0|2,0,0]=4 85 B29R4.103887117 CCCCOc1cccc(c1)c2nccc(n2)Nc3cc([nH]n3)C4CC4 271570a_100011263074_100010157381 [1,0,0,0,1,0|1,0,1]=4 86 B29R4.103887117 CCCCSc1cccc(c1)c2nccc(n2)Nc3cc([nH]n3)C4CC4 271570a_200010073369_100010157381 [1,0,0,0,1,0|1,0,1]=4 87 B29R4.124636033 C=CC(=O)Nc1cccc(c1)c2nccc(n2)Nc3cc([nH]n3)C4CC4 271570a_100000090413_100010157381 [1,0,0,0,1,0|0,0,2]=4 88 B29R4.124636033 CCC(=O)Nc1cccc(c1)c2nccc(n2)Nc3cc([nH]n3)C4CC4 271570a_200010712800_100010157381 [1,0,0,0,1,0|0,0,0]=2 89 B29R4.124636033 CNC(=O)Cc1cccc(c1)c2nccc(n2)Nc3cc([nH]n3)C4CC4 271570a_100010090728_100010157381 [1,0,0,0,1,0|2,0,0]=4 90 B29R4.124636033 COC(=O)Cc1cccc(c1)c2nccc(n2)Nc3cc([nH]n3)C4CC4 271570a_100010175572_100010157381 [1,0,0,0,1,0|2,0,0]=4 91 B29R4.513470328 CCC(=O)c1cc(ccn1)Sc2nccc(n2)Nc3cc([nH]n3)C4CC4 62a_200000094848_100010157381 [1,0,0,0,1,0|2,0,0]=4 92 B29R4.513470328 CCC(=O)c1cccc(c1)Sc2nccc(n2)Nc3cc([nH]n3)C4CC4 62a_100000211677_100010157381 [1,0,0,0,1,0|1,0,0]=3 93 B29R4.513470328 CCC(=O)c1cccc(n1)Sc2nccc(n2)Nc3cc([nH]n3)C4CC4 62a_100011004013_100010157381 [1,0,0,0,1,0|2,0,0]=4 94 B29R4.513470328 CNC(=O)c1cccc(c1)Sc2nccc(n2)Nc3cc([nH]n3)C4CC4 62a_100000155082_100010157381 [1,0,0,0,1,0|2,0,0]=4 95 B29R4.513470328 COC(=O)c1cccc(c1)Sc2nccc(n2)Nc3cc([nH]n3)C4CC4 62a_100000148848_100010157381 [1,0,0,0,1,0|2,0,0]=4 96 B29R4.513470328 NCC(=O)c1cccc(c1)Sc2nccc(n2)Nc3cc([nH]n3)C4CC4 62a_100020587001_100010157381 [1,0,0,0,1,0|2,0,0]=4 97 B29R4.70839278 CCNC(=O)c1cccc(c1)c2nccc(n2)Nc3cc([nH]n3)C4CC4 271570a_200000049322_100010157381 [0,0,0,0,2,0|1,0,0]=3 98 B29R4.70839278 CCOC(=O)c1cc(ccn1)c2nccc(n2)Nc3cc([nH]n3)C4CC4 271570a_100010187696_100010157381 [0,0,0,0,2,0|2,0,0]=4 99 B29R4.70839278 CCOC(=O)c1cccc(c1)c2nccc(n2)Nc3cc([nH]n3)C4CC4 271570a_100000040651_100010157381 [0,0,0,0,2,0|1,0,0]=3 100 B29R4.70839278 CCOC(=O)c1cncc(c1)c2nccc(n2)Nc3cc([nH]n3)C4CC4 271570a_100000698946_100010157381 [0,0,0,0,2,0|2,0,0]=4 101 B29R4.70839278 CONC(=O)c1cccc(c1)c2nccc(n2)Nc3cc([nH]n3)C4CC4 271570a_100000049376_100010157381 [0,0,0,0,2,0|2,0,0]=4 102 B31R4.141752234 CCOC(=O)/C=C/c1cccc(c1)c2nccc(n2)Nc3cc([nH]n3)C4CC4 271570a_100000069377_100010157381 [0,0,0,0,1,1|2,0,0]=4 103 B31R4.141752234 CCOC(=O)CCc1cccc(c1)c2nccc(n2)Nc3cc([nH]n3)C4CC4 271570a_100010712758_100010157381 [0,0,0,0,1,1|2,0,0]=4 104 B31R4.141752234 CCOC(=O)COc1cccc(c1)c2nccc(n2)Nc3cc([nH]n3)C4CC4 271570a_100000070573_100010157381 [0,0,0,0,1,1|2,0,0]=4 105 B31R4.556344935 COCC(=O)Nc1ccccc1Sc2nccc(n2)Nc3cc([nH]n3)C4CC4 62a_200000158336_100010157381 [0,0,0,0,1,1|2,0,0]=4 106 B31R4.426382839 CCNC(=O)c1cccc(c1)CSc2nccc(n2)Nc3cc([nH]n3)C4CC4 62a_100011266491_100010157381 [0,0,0,0,1,1|2,0,0]=4 107 B31R4.426382839 CCOC(=O)c1cccc(c1)CSc2nccc(n2)Nc3cc([nH]n3)C4CC4 62a_100011934420_100010157381 [0,0,0,0,1,1|2,0,0]=4