0 B14R2.3 C#CCNC1COc2c1cccc2 2230a_100000747519_100000038162 [0,0,0,0,0,0|1,0,0]=1 1 B14R2.3 C#CCN[C@H]1CCc2c1cccc2 2230a_100016989578_100000038162 [0,0,0,0,0,0|0,0,0]=0 2 B14R2.3 C#CCN[C@H]1CCc2c1cccc2 34a_100016989578_100000184674 [0,0,0,0,0,0|0,0,0]=0 3 B14R2.3 C#CCNc1n[nH]c2c1cccn2 27a_100000212058_100009818534 [0,0,0,0,0,0|3,0,1]=4 4 B14R2.3 C#CCNc1n[nH]c2c1cncc2 27a_100000212058_100009820117 [0,0,0,0,0,0|3,0,1]=4 5 B14R2.3 C#CCNc1n[nH]c2c1nccc2 27a_100000212058_100009817118 [0,0,0,0,0,0|3,0,1]=4 6 B14R2.3 C#CCOC1CCc2c1cccc2 34a_100000212247_100000184674 [0,0,0,0,0,0|1,0,0]=1 7 B14R2.3 C#CCOC1CCc2c1cccc2 7a_100000212247_100000038162 [0,0,0,0,0,0|1,0,0]=1 8 B14R2.3 C#CCOc1csc2c1cccc2 34a_100000077758_100000184674 [0,0,0,0,0,0|2,0,2]=4 9 B14R2.3 C#CCOc1csc2c1cccc2 7a_100000077758_100000038162 [0,0,0,0,0,0|2,0,2]=4 10 B14R2.3 C#CCSC1CCc2c1cccc2 62a_100000038162_200000721974 [0,0,0,0,0,0|1,0,0]=1 11 B14R2.3 C#CCSc1coc2c1cccc2 62a_100000038162_100009812202 [0,0,0,0,0,0|2,0,2]=4 12 B14R2.3 C#CCSc1csc2c1cccc2 62a_100000038162_100009813928 [0,0,0,0,0,0|2,0,2]=4 13 B14R2.3 C#CCSc1n[nH]c2c1cccc2 62a_100000038162_100000050141 [0,0,0,0,0,0|3,0,1]=4 14 B14R2.3 C#CCSc1noc2c1cccc2 62a_100000038162_200000703156 [0,0,0,0,0,0|3,0,1]=4 15 B14R2.3 C=CCNC1CCc2c1cccc2 2230a_100020586998_200000721974 [0,0,0,0,0,0|0,0,2]=2 16 B14R2.3 C=CCNC1COc2c1cccc2 2230a_100000747519_100000210623 [0,0,0,0,0,0|1,0,2]=3 17 B14R2.3 C=CCN[C@H]1CCc2c1cccc2 2230a_100016989578_100000210623 [0,0,0,0,0,0|0,0,2]=2 18 B14R2.3 C=CCN[C@H]1CCc2c1cccc2 34a_100016989578_100015514636 [0,0,0,0,0,0|0,0,2]=2 19 B14R2.3 C=CCOC1CCc2c1cccc2 34a_100000212247_100015514636 [0,0,0,0,0,0|1,0,2]=3 20 B14R2.3 C=CCOC1CCc2c1cccc2 7a_100000212247_100015514636 [0,0,0,0,0,0|1,0,2]=3 21 B14R2.3 C=CCSC1CCc2c1cccc2 62a_100000210623_200000721974 [0,0,0,0,0,0|1,0,2]=3 22 B14R2.3 CCCNC1CCc2c1cccc2 269862a_100020643023_100000212051 [0,0,0,0,0,0|0,0,2]=2 23 B14R2.3 CCCNC1COc2c1cccc2 2230a_100000747519_100000210303 [0,0,0,0,0,0|1,0,2]=3 24 B14R2.3 CCCN[C@H]1CCc2c1cccc2 2230a_100016989578_100000210303 [0,0,0,0,0,0|0,0,2]=2 25 B14R2.3 CCCN[C@H]1CCc2c1cccc2 34a_100016989578_100000210303 [0,0,0,0,0,0|0,0,2]=2 26 B14R2.3 CCCOC1CCc2c1cccc2 34a_100000212247_100000210303 [0,0,0,0,0,0|1,0,2]=3 27 B14R2.3 CCCOC1CCc2c1cccc2 7a_100000212247_100000210303 [0,0,0,0,0,0|1,0,2]=3 28 B14R2.3 CCCSC1CCc2c1cccc2 62a_100000210303_200000721974 [0,0,0,0,0,0|1,0,2]=3 29 B14R2.3 CCNCC1CCc2c1cccc2 2230a_100020632452_100000210202 [0,0,0,0,0,0|2,0,2]=4 30 B14R2.3 CCNCC1CCc2c1cccc2 34a_100020632452_100000210202 [0,0,0,0,0,0|2,0,2]=4 31 B14R2.3 CNCCN1CCc2c1cccc2 2230a_100000741946_200000210301 [0,0,0,0,0,0|3,0,1]=4 32 B14R2.3 COCNC1COc2c1cccc2 2230a_100000747519_100000766300 [0,0,0,0,0,0|2,0,1]=3 33 B14R2.3 COCN[C@H]1CCc2c1cccc2 2230a_100016989578_100000766300 [0,0,0,0,0,0|1,0,1]=2 34 B14R2.3 COCSC1CCc2c1cccc2 62a_100000766300_200000721974 [0,0,0,0,0,0|2,0,1]=3 35 B14R2.3 CSCNC1COc2c1cccc2 2230a_100000747519_100011218213 [0,0,0,0,0,0|2,0,1]=3 36 B14R2.3 CSCN[C@H]1CCc2c1cccc2 2230a_100016989578_100011218213 [0,0,0,0,0,0|1,0,1]=2 37 B14R2.3 CSCN[C@H]1CCc2c1cccc2 34a_100016989578_100011218213 [0,0,0,0,0,0|1,0,1]=2 38 B14R2.3 CSCOC1CCc2c1cccc2 34a_100000212247_100011218213 [0,0,0,0,0,0|2,0,1]=3 39 B14R2.3 CSCSC1CCc2c1cccc2 62a_100011218213_200000721974 [0,0,0,0,0,0|2,0,1]=3 40 B14R2.3 FCCNC1CCc2c1cccc2 269862a_100000724931_100000212051 [0,0,0,0,0,0|1,0,1]=2 41 B14R2.3 FCCNC1COc2c1cccc2 2230a_100000747519_100011217306 [0,0,0,0,0,0|2,0,1]=3 42 B14R2.3 FCCN[C@H]1CCc2c1cccc2 2230a_100016989578_100011217306 [0,0,0,0,0,0|1,0,1]=2 43 B14R2.3 FCCN[C@H]1CCc2c1cccc2 34a_100016989578_100011217306 [0,0,0,0,0,0|1,0,1]=2 44 B14R2.3 FCCOC1CCc2c1cccc2 34a_100000212247_100011217306 [0,0,0,0,0,0|2,0,1]=3 45 B14R2.3 FCCOC1CCc2c1cccc2 7a_100000212247_100011217306 [0,0,0,0,0,0|2,0,1]=3 46 B14R2.3 FCCSC1CCc2c1cccc2 62a_100011217306_200000721974 [0,0,0,0,0,0|2,0,1]=3 47 B14R2.3 FCNCC1CCc2c1cccc2 34a_100020632452_100015361967 [0,0,0,0,0,0|3,0,1]=4 48 B14R2.3 N#CCNC1COc2c1cccc2 2230a_100000747519_100011215382 [0,0,0,0,0,0|2,0,0]=2 49 B14R2.3 N#CCN[C@H]1CCc2c1cccc2 2230a_100016989578_100011215382 [0,0,0,0,0,0|1,0,0]=1 50 B14R2.3 N#CCOC1CCc2c1cccc2 7a_100000212247_100011215382 [0,0,0,0,0,0|2,0,0]=2 51 B14R2.3 N#CCSC1CCc2c1cccc2 62a_100011215382_200000721974 [0,0,0,0,0,0|2,0,0]=2 52 B14R2.3 O=CCNC1COc2c1cccc2 2230a_100000747519_200015260668 [0,0,0,0,0,0|2,0,1]=3 53 B14R2.3 O=CCN[C@H]1CCc2c1cccc2 2230a_100016989578_200015260668 [0,0,0,0,0,0|1,0,1]=2 54 B14R2.3 O=CCN[C@H]1CCc2c1cccc2 34a_100016989578_200009817547 [0,0,0,0,0,0|1,0,1]=2 55 B14R2.3 O=CCOC1CCc2c1cccc2 34a_100000212247_200009817547 [0,0,0,0,0,0|2,0,1]=3 56 B14R2.3 O=CCOC1CCc2c1cccc2 7a_100000212247_200015260668 [0,0,0,0,0,0|2,0,1]=3 57 B14R2.3 O=CCSC1CCc2c1cccc2 62a_200015260668_200000721974 [0,0,0,0,0,0|2,0,1]=3 58 B14R2.3 OCCNC1CCc2c1cccc2 2230a_100016997473_200000721974 [0,0,0,0,0,0|1,0,1]=2 59 B14R2.3 OCCNC1CCc2c1cccc2 269862a_100000210304_100000212051 [0,0,0,0,0,0|1,0,1]=2 60 B14R2.3 OCCNC1COc2c1cccc2 2230a_100000747519_100000211926 [0,0,0,0,0,0|2,0,1]=3 61 B14R2.3 OCCN[C@H]1CCc2c1cccc2 2230a_100016989578_100000211926 [0,0,0,0,0,0|1,0,1]=2 62 B14R2.3 OCCN[C@H]1CCc2c1cccc2 34a_100016989578_100000211926 [0,0,0,0,0,0|1,0,1]=2 63 B14R2.3 OCCOC1CCc2c1cccc2 34a_100000212247_100000211926 [0,0,0,0,0,0|2,0,1]=3 64 B14R2.3 OCCOC1CCc2c1cccc2 7a_100000212247_100000211926 [0,0,0,0,0,0|2,0,1]=3 65 B14R2.3 OCCSC1CCc2c1cccc2 62a_100000211926_200000721974 [0,0,0,0,0,0|2,0,1]=3 66 B14R2.3 [13CH3]NCCN1CCc2c1cccc2 2230a_100000741946_200025704644 [0,0,0,0,0,0|3,0,1]=4 67 B13R2.1 CCNC1CCc2c1cccc2 2230a_100015525214_200000721974 [1,0,0,0,0,0|0,0,1]=2 68 B13R2.1 CCNC1CCc2c1cccc2 269862a_100015525214_100000212051 [1,0,0,0,0,0|0,0,1]=2 69 B13R2.1 CCNC1COc2c1cccc2 2230a_100000747519_100000210202 [1,0,0,0,0,0|1,0,1]=3 70 B13R2.1 CCN[C@H]1CCc2c1cccc2 2230a_100016989578_100000210202 [1,0,0,0,0,0|0,0,1]=2 71 B13R2.1 CCN[C@H]1CCc2c1cccc2 34a_100016989578_100000210202 [1,0,0,0,0,0|0,0,1]=2 72 B13R2.1 CCOC1CCc2c1cccc2 34a_100000212247_100000210202 [1,0,0,0,0,0|1,0,1]=3 73 B13R2.1 CCOC1CCc2c1cccc2 7a_100000212247_100000210202 [1,0,0,0,0,0|1,0,1]=3 74 B13R2.1 CCSC1CCc2c1cccc2 62a_100000210202_200000721974 [1,0,0,0,0,0|1,0,1]=3 75 B13R2.1 CNCC1CCc2c1cccc2 2230a_100020632452_200000210301 [1,0,0,0,0,0|1,0,1]=3 76 B13R2.1 CNCC1CCc2c1cccc2 34a_100020632452_200000210301 [1,0,0,0,0,0|1,0,1]=3 77 B13R2.1 FCN[C@H]1CCc2c1cccc2 34a_100016989578_100015361967 [1,0,0,0,0,0|1,0,0]=2 78 B13R2.1 FCOC1CCc2c1cccc2 34a_100000212247_100015361967 [1,0,0,0,0,0|2,0,0]=3 79 B13R2.1 FCOC1CCc2c1cccc2 7a_100000212247_100015361967 [1,0,0,0,0,0|2,0,0]=3 80 B13R2.1 FCSC1CCc2c1cccc2 62a_100015361967_200000721974 [1,0,0,0,0,0|2,0,0]=3 81 B13R2.1 [13CH3]NCC1CCc2c1cccc2 2230a_100020632452_200025704644 [1,0,0,0,0,0|1,0,1]=3 82 B13R2.1 [13CH3]NCC1CCc2c1cccc2 34a_100020632452_200025704644 [1,0,0,0,0,0|1,0,1]=3 83 B15R2.4 C#CC(C)NC1CCc2c1cccc2 2230a_100000707721_200000721974 [0,1,0,0,0,0|0,0,0]=1 84 B15R2.4 C#CC(C)N[C@H]1CCc2c1cccc2 34a_100016989578_200000035995 [0,1,0,0,0,0|0,0,0]=1 85 B15R2.4 C#CC(C)OC1CCc2c1cccc2 34a_100000212247_200000035995 [0,1,0,0,0,0|1,0,0]=2 86 B15R2.4 C#CC(C)SC1CCc2c1cccc2 62a_200000035995_200000721974 [0,1,0,0,0,0|1,0,0]=2 87 B15R2.4 C=CC(=O)N[C@H]1CCc2c1cccc2 1626a_100016989578_100000185746 [0,1,0,0,0,0|0,0,3]=4 88 B15R2.4 C=CC(=O)N[C@H]1CCc2c1cccc2 240690a_100016989578_200121576911 [0,1,0,0,0,0|0,0,3]=4 89 B15R2.4 C=CC(C)SC1CCc2c1cccc2 62a_100011215867_200000721974 [0,1,0,0,0,0|1,0,2]=4 90 B15R2.4 CC(C#N)NC1CCc2c1cccc2 2230a_100000737613_200000721974 [0,1,0,0,0,0|1,0,0]=2 91 B15R2.4 CC(C#N)NC1COc2c1cccc2 2230a_100000747519_100000184139 [0,1,0,0,0,0|2,0,0]=3 92 B15R2.4 CC(C#N)N[C@H]1CCc2c1cccc2 2230a_100016989578_100000184139 [0,1,0,0,0,0|1,0,0]=2 93 B15R2.4 CC(C#N)OC1CCc2c1cccc2 7a_100000212247_100000703298 [0,1,0,0,0,0|2,0,0]=3 94 B15R2.4 CC(C#N)SC1CCc2c1cccc2 62a_100000703298_200000721974 [0,1,0,0,0,0|2,0,0]=3 95 B15R2.4 CC(CO)NC1COc2c1cccc2 2230a_100000747519_100012180447 [0,1,0,0,0,0|2,0,1]=4 96 B15R2.4 CC(CO)N[C@H]1CCc2c1cccc2 2230a_100016989578_100012180447 [0,1,0,0,0,0|1,0,1]=3 97 B15R2.4 CC(CO)N[C@H]1CCc2c1cccc2 34a_100016989578_100012180447 [0,1,0,0,0,0|1,0,1]=3 98 B15R2.4 CC(CO)OC1CCc2c1cccc2 34a_100000212247_100012180447 [0,1,0,0,0,0|2,0,1]=4 99 B15R2.4 CC(CO)OC1CCc2c1cccc2 7a_100000212247_100012180447 [0,1,0,0,0,0|2,0,1]=4 100 B15R2.4 CC(CO)SC1CCc2c1cccc2 62a_100012180447_200000721974 [0,1,0,0,0,0|2,0,1]=4 101 B15R2.4 CCC(=O)N[C@H]1CCc2c1cccc2 11a_100016989578_100000210414 [0,1,0,0,0,0|0,0,3]=4 102 B15R2.4 CCC(=O)N[C@H]1CCc2c1cccc2 1626a_100016989578_100000210414 [0,1,0,0,0,0|0,0,3]=4 103 B15R2.4 CCC(=O)N[C@H]1CCc2c1cccc2 240690a_100016989578_100000210414 [0,1,0,0,0,0|0,0,3]=4 104 B15R2.4 CCC(=O)N[C@H]1CCc2c1cccc2 527a_100016989578_100000210414 [0,1,0,0,0,0|0,0,3]=4 105 B15R2.4 CCC(C)NC1CCc2c1cccc2 2230a_100000209981_200000721974 [0,1,0,0,0,0|0,0,2]=3 106 B15R2.4 CCC(C)NC1CCc2c1cccc2 269862a_100000209981_100000212051 [0,1,0,0,0,0|0,0,2]=3 107 B15R2.4 CCC(C)NC1COc2c1cccc2 2230a_100000747519_100000758301 [0,1,0,0,0,0|1,0,2]=4 108 B15R2.4 CCC(C)N[C@H]1CCc2c1cccc2 2230a_100016989578_100000758301 [0,1,0,0,0,0|0,0,2]=3 109 B15R2.4 CCC(C)N[C@H]1CCc2c1cccc2 34a_100016989578_100011215416 [0,1,0,0,0,0|0,0,2]=3 110 B15R2.4 CCC(C)OC1CCc2c1cccc2 34a_100000212247_100011215416 [0,1,0,0,0,0|1,0,2]=4 111 B15R2.4 CCC(C)OC1CCc2c1cccc2 7a_100000212247_100000758301 [0,1,0,0,0,0|1,0,2]=4 112 B15R2.4 CCC(C)SC1CCc2c1cccc2 62a_100000758301_200000721974 [0,1,0,0,0,0|1,0,2]=4 113 B15R2.4 CNC(=O)N[C@H]1CCc2c1cccc2 2708a_100016989578_106832991635 [0,1,0,0,0,0|1,0,2]=4 114 B15R2.4 CNC(=O)N[C@H]1CCc2c1cccc2 2708a_100102657272_100016989578 [0,1,0,0,0,0|1,0,2]=4 115 B15R2.4 CNC(=O)N[C@H]1CCc2c1cccc2 273464a_100016989578_100102657272 [0,1,0,0,0,0|1,0,2]=4 116 B15R2.4 CNC(=O)N[C@H]1CCc2c1cccc2 273464a_100102657272_100016989578 [0,1,0,0,0,0|1,0,2]=4 117 B15R2.4 CNC(=O)N[C@H]1CCc2c1cccc2 512a_100016989578_100102657272 [0,1,0,0,0,0|1,0,2]=4 118 B15R2.4 CNC(=O)N[C@H]1CCc2c1cccc2 512a_106832991638_100016989578 [0,1,0,0,0,0|1,0,2]=4 119 B15R2.4 COC(C)SC1CCc2c1cccc2 62a_100009879195_200000721974 [0,1,0,0,0,0|2,0,1]=4 120 B15R2.4 C[C@H](CF)NC1CCc2c1cccc2 269862a_100102880703_100000212051 [0,1,0,0,0,0|1,0,1]=3 121 B15R2.4 C[C@H](CO)NC1CCc2c1cccc2 2230a_100000737577_200000721974 [0,1,0,0,0,0|1,0,1]=3 122 B15R2.4 C[C@H](CO)NC1CCc2c1cccc2 269862a_100000737577_100000212051 [0,1,0,0,0,0|1,0,1]=3 123 B15R2.4 C[C@H](CO)SC1CCc2c1cccc2 62a_100016084084_200000721974 [0,1,0,0,0,0|2,0,1]=4 124 B15R2.4 N#CC(F)SC1CCc2c1cccc2 62a_200000117898_200000721974 [0,1,0,0,0,0|2,0,0]=3 125 B15R2.4 O=C(CO)N[C@H]1CCc2c1cccc2 240690a_100016989578_100000210174 [0,1,0,0,0,0|1,0,2]=4 126 B15R2.4 O=C(CO)N[C@H]1CCc2c1cccc2 527a_100016989578_100000210174 [0,1,0,0,0,0|1,0,2]=4 127 B15R2.5 C#CCCNC1COc2c1cccc2 2230a_100000747519_100000688953 [0,1,0,0,0,0|1,0,0]=2 128 B15R2.5 C#CCCN[C@H]1CCc2c1cccc2 2230a_100016989578_100000688953 [0,1,0,0,0,0|0,0,0]=1 129 B15R2.5 C#CCCN[C@H]1CCc2c1cccc2 34a_100016989578_100000688953 [0,1,0,0,0,0|0,0,0]=1 130 B15R2.5 C#CCCOC1CCc2c1cccc2 34a_100000212247_100000688953 [0,1,0,0,0,0|1,0,0]=2 131 B15R2.5 C#CCCOC1CCc2c1cccc2 7a_100000212247_100000688953 [0,1,0,0,0,0|1,0,0]=2 132 B15R2.5 C#CCCSC1CCc2c1cccc2 62a_100000688953_200000721974 [0,1,0,0,0,0|1,0,0]=2 133 B15R2.5 C#CCNCC1CCc2c1cccc2 2230a_100020632452_100000038162 [0,1,0,0,0,0|0,0,0]=1 134 B15R2.5 C#CCNCC1CCc2c1cccc2 34a_100020632452_100000184674 [0,1,0,0,0,0|0,0,0]=1 135 B15R2.5 C#CCNCc1csc2c1cccc2 34a_100000212058_200000742921 [0,1,0,0,0,0|1,0,2]=4 136 B15R2.5 C#CCNCc1csc2c1cccc2 34a_100000744611_100000184674 [0,1,0,0,0,0|1,0,2]=4 137 B15R2.5 C#CCNCc1noc2c1cccc2 34a_100000212058_100009813815 [0,1,0,0,0,0|2,0,1]=4 138 B15R2.5 C#CCNCn1nnc2c1cccc2 34a_100000212058_100000033166 [0,1,0,0,0,0|3,0,0]=4 139 B15R2.5 C/C=C/CN[C@H]1CCc2c1cccc2 34a_100016989578_100102629194 [0,1,0,0,0,0|0,0,2]=3 140 B15R2.5 C/C=C/COC1CCc2c1cccc2 34a_100000212247_100102629194 [0,1,0,0,0,0|1,0,2]=4 141 B15R2.5 C/C=C/COC1CCc2c1cccc2 7a_100000212247_100102629194 [0,1,0,0,0,0|1,0,2]=4 142 B15R2.5 C/C=C/CSC1CCc2c1cccc2 62a_100102629194_200000721974 [0,1,0,0,0,0|1,0,2]=4 143 B15R2.5 C=CCCNC1CCc2c1cccc2 2230a_100015191253_200000721974 [0,1,0,0,0,0|0,0,2]=3 144 B15R2.5 C=CCCNC1CCc2c1cccc2 269862a_100015191253_100000212051 [0,1,0,0,0,0|0,0,2]=3 145 B15R2.5 C=CCCNC1COc2c1cccc2 2230a_100000747519_100000754431 [0,1,0,0,0,0|1,0,2]=4 146 B15R2.5 C=CCCN[C@H]1CCc2c1cccc2 2230a_100016989578_100000754431 [0,1,0,0,0,0|0,0,2]=3 147 B15R2.5 C=CCCN[C@H]1CCc2c1cccc2 34a_100016989578_100000754431 [0,1,0,0,0,0|0,0,2]=3 148 B15R2.5 C=CCCOC1CCc2c1cccc2 34a_100000212247_100000754431 [0,1,0,0,0,0|1,0,2]=4 149 B15R2.5 C=CCCOC1CCc2c1cccc2 7a_100000212247_100000754431 [0,1,0,0,0,0|1,0,2]=4 150 B15R2.5 C=CCCSC1CCc2c1cccc2 62a_100000754431_200000721974 [0,1,0,0,0,0|1,0,2]=4 151 B15R2.5 C=CCNCC1CCc2c1cccc2 2230a_100020632452_100000210623 [0,1,0,0,0,0|0,0,2]=3 152 B15R2.5 C=CCNCC1CCc2c1cccc2 34a_100020632452_100015514636 [0,1,0,0,0,0|0,0,2]=3 153 B15R2.5 CC#CCNC1CCc2c1cccc2 2230a_100000685387_200000721974 [0,1,0,0,0,0|0,0,0]=1 154 B15R2.5 CC#CCNC1COc2c1cccc2 2230a_100000747519_100000748600 [0,1,0,0,0,0|1,0,0]=2 155 B15R2.5 CC#CCN[C@H]1CCc2c1cccc2 2230a_100016989578_100000748600 [0,1,0,0,0,0|0,0,0]=1 156 B15R2.5 CC#CCN[C@H]1CCc2c1cccc2 34a_100016989578_100000748600 [0,1,0,0,0,0|0,0,0]=1 157 B15R2.5 CC#CCOC1CCc2c1cccc2 34a_100000212247_100000748600 [0,1,0,0,0,0|1,0,0]=2 158 B15R2.5 CC#CCOC1CCc2c1cccc2 7a_100000212247_100000748600 [0,1,0,0,0,0|1,0,0]=2 159 B15R2.5 CC#CCSC1CCc2c1cccc2 62a_100000748600_200000721974 [0,1,0,0,0,0|1,0,0]=2 160 B15R2.5 CC=CCNC1COc2c1cccc2 2230a_100000747519_100000070051 [0,1,0,0,0,0|1,0,2]=4 161 B15R2.5 CC=CCN[C@H]1CCc2c1cccc2 2230a_100016989578_100000070051 [0,1,0,0,0,0|0,0,2]=3 162 B15R2.5 CC=CCN[C@H]1CCc2c1cccc2 34a_100016989578_100000070051 [0,1,0,0,0,0|0,0,2]=3 163 B15R2.5 CC=CCOC1CCc2c1cccc2 34a_100000212247_100000070051 [0,1,0,0,0,0|1,0,2]=4 164 B15R2.5 CC=CCOC1CCc2c1cccc2 7a_100000212247_100000070051 [0,1,0,0,0,0|1,0,2]=4 165 B15R2.5 CC=CCSC1CCc2c1cccc2 62a_100000070051_200000721974 [0,1,0,0,0,0|1,0,2]=4 166 B15R2.5 CCCCNC1CCc2c1cccc2 2230a_100000102301_200000721974 [0,1,0,0,0,0|0,0,2]=3 167 B15R2.5 CCCCNC1CCc2c1cccc2 269862a_100000102301_100000212051 [0,1,0,0,0,0|0,0,2]=3 168 B15R2.5 CCCCNC1COc2c1cccc2 2230a_100000747519_100000210211 [0,1,0,0,0,0|1,0,2]=4 169 B15R2.5 CCCCN[C@H]1CCc2c1cccc2 2230a_100016989578_100000210211 [0,1,0,0,0,0|0,0,2]=3 170 B15R2.5 CCCCN[C@H]1CCc2c1cccc2 34a_100016989578_100000210210 [0,1,0,0,0,0|0,0,2]=3 171 B15R2.5 CCCCOC1CCc2c1cccc2 34a_100000212247_100000210210 [0,1,0,0,0,0|1,0,2]=4 172 B15R2.5 CCCCOC1CCc2c1cccc2 7a_100000212247_100000210211 [0,1,0,0,0,0|1,0,2]=4 173 B15R2.5 CCCCSC1CCc2c1cccc2 62a_100000210211_200000721974 [0,1,0,0,0,0|1,0,2]=4 174 B15R2.5 CCCNCC1CCc2c1cccc2 2230a_100020632452_100000210303 [0,1,0,0,0,0|0,0,2]=3 175 B15R2.5 CCCNCC1CCc2c1cccc2 34a_100020632452_100000210303 [0,1,0,0,0,0|0,0,2]=3 176 B15R2.5 CCCNN=C1CCc2c1cccc2 4a_100000740057_100000212051 [0,1,0,0,0,0|0,0,3]=4 177 B15R2.5 CCOCSC1CCc2c1cccc2 62a_100000739092_200000721974 [0,1,0,0,0,0|1,0,2]=4 178 B15R2.5 COCCNC1CCc2c1cccc2 2230a_100000209980_200000721974 [0,1,0,0,0,0|0,0,2]=3 179 B15R2.5 COCCNC1CCc2c1cccc2 269862a_100000209980_100000212051 [0,1,0,0,0,0|0,0,2]=3 180 B15R2.5 COCCNC1COc2c1cccc2 2230a_100000747519_100011201679 [0,1,0,0,0,0|1,0,2]=4 181 B15R2.5 COCCN[C@H]1CCc2c1cccc2 2230a_100016989578_100011201679 [0,1,0,0,0,0|0,0,2]=3 182 B15R2.5 COCCN[C@H]1CCc2c1cccc2 34a_100016989578_100011201679 [0,1,0,0,0,0|0,0,2]=3 183 B15R2.5 COCCOC1CCc2c1cccc2 34a_100000212247_100011201679 [0,1,0,0,0,0|1,0,2]=4 184 B15R2.5 COCCOC1CCc2c1cccc2 7a_100000212247_100000233755 [0,1,0,0,0,0|1,0,2]=4 185 B15R2.5 COCCSC1CCc2c1cccc2 62a_100000233755_200000721974 [0,1,0,0,0,0|1,0,2]=4 186 B15R2.5 COCNCC1CCc2c1cccc2 2230a_100020632452_100000766300 [0,1,0,0,0,0|1,0,1]=3 187 B15R2.5 CSCCNC1CCc2c1cccc2 2230a_100020590264_200000721974 [0,1,0,0,0,0|0,0,2]=3 188 B15R2.5 CSCCNC1CCc2c1cccc2 269862a_100020590264_100000212051 [0,1,0,0,0,0|0,0,2]=3 189 B15R2.5 CSCCNC1COc2c1cccc2 2230a_100000747519_100000751147 [0,1,0,0,0,0|1,0,2]=4 190 B15R2.5 CSCCN[C@H]1CCc2c1cccc2 2230a_100016989578_100000751147 [0,1,0,0,0,0|0,0,2]=3 191 B15R2.5 CSCCN[C@H]1CCc2c1cccc2 34a_100016989578_100000212216 [0,1,0,0,0,0|0,0,2]=3 192 B15R2.5 CSCCOC1CCc2c1cccc2 34a_100000212247_100000212216 [0,1,0,0,0,0|1,0,2]=4 193 B15R2.5 CSCCOC1CCc2c1cccc2 7a_100000212247_100000212216 [0,1,0,0,0,0|1,0,2]=4 194 B15R2.5 CSCCSC1CCc2c1cccc2 62a_100000212216_200000721974 [0,1,0,0,0,0|1,0,2]=4 195 B15R2.5 CSCNCC1CCc2c1cccc2 2230a_100020632452_100011218213 [0,1,0,0,0,0|1,0,1]=3 196 B15R2.5 CSCNCC1CCc2c1cccc2 34a_100020632452_100011218213 [0,1,0,0,0,0|1,0,1]=3 197 B15R2.5 FCCCNC1CCc2c1cccc2 2230a_100015189416_200000721974 [0,1,0,0,0,0|0,0,2]=3 198 B15R2.5 FCCCNC1CCc2c1cccc2 269862a_100015189416_100000212051 [0,1,0,0,0,0|0,0,2]=3 199 B15R2.5 FCCCNC1COc2c1cccc2 2230a_100000747519_100011934791 [0,1,0,0,0,0|1,0,2]=4 200 B15R2.5 FCCCN[C@H]1CCc2c1cccc2 2230a_100016989578_100011934791 [0,1,0,0,0,0|0,0,2]=3 201 B15R2.5 FCCCN[C@H]1CCc2c1cccc2 34a_100016989578_100011934791 [0,1,0,0,0,0|0,0,2]=3 202 B15R2.5 FCCCOC1CCc2c1cccc2 34a_100000212247_100011934791 [0,1,0,0,0,0|1,0,2]=4 203 B15R2.5 FCCCOC1CCc2c1cccc2 7a_100000212247_100011934791 [0,1,0,0,0,0|1,0,2]=4 204 B15R2.5 FCCCSC1CCc2c1cccc2 62a_100011934791_200000721974 [0,1,0,0,0,0|1,0,2]=4 205 B15R2.5 FCCNCC1CCc2c1cccc2 2230a_100020632452_100011217306 [0,1,0,0,0,0|1,0,1]=3 206 B15R2.5 FCCNCC1CCc2c1cccc2 34a_100020632452_100011217306 [0,1,0,0,0,0|1,0,1]=3 207 B15R2.5 N#CCCNC1COc2c1cccc2 2230a_100000747519_100011215226 [0,1,0,0,0,0|1,0,1]=3 208 B15R2.5 N#CCCN[C@H]1CCc2c1cccc2 2230a_100016989578_100011215226 [0,1,0,0,0,0|0,0,1]=2 209 B15R2.5 N#CCCOC1CCc2c1cccc2 7a_100000212247_100000184422 [0,1,0,0,0,0|1,0,1]=3 210 B15R2.5 N#CCCSC1CCc2c1cccc2 62a_100011215226_200000721974 [0,1,0,0,0,0|1,0,1]=3 211 B15R2.5 N#CCNCC1CCc2c1cccc2 2230a_100020632452_100011215382 [0,1,0,0,0,0|1,0,0]=2 212 B15R2.5 N#CSCSC1CCc2c1cccc2 62a_100000211825_200000721974 [0,1,0,0,0,0|2,0,0]=3 213 B15R2.5 O=CCNCC1CCc2c1cccc2 2230a_100020632452_200015260668 [0,1,0,0,0,0|1,0,1]=3 214 B15R2.5 O=CCNCC1CCc2c1cccc2 34a_100020632452_200009817547 [0,1,0,0,0,0|1,0,1]=3 215 B15R2.5 OCCCNC1CCc2c1cccc2 269862a_100000182051_100000212051 [0,1,0,0,0,0|0,0,2]=3 216 B15R2.5 OCCCNC1COc2c1cccc2 2230a_100000747519_100000230001 [0,1,0,0,0,0|1,0,2]=4 217 B15R2.5 OCCCN[C@H]1CCc2c1cccc2 2230a_100016989578_100000230001 [0,1,0,0,0,0|0,0,2]=3 218 B15R2.5 OCCCN[C@H]1CCc2c1cccc2 34a_100016989578_100000230001 [0,1,0,0,0,0|0,0,2]=3 219 B15R2.5 OCCCOC1CCc2c1cccc2 34a_100000212247_100000230001 [0,1,0,0,0,0|1,0,2]=4 220 B15R2.5 OCCCOC1CCc2c1cccc2 7a_100000212247_100011215043 [0,1,0,0,0,0|1,0,2]=4 221 B15R2.5 OCCCSC1CCc2c1cccc2 62a_100011215043_200000721974 [0,1,0,0,0,0|1,0,2]=4 222 B15R2.5 OCCNCC1CCc2c1cccc2 2230a_100020632452_100000211926 [0,1,0,0,0,0|1,0,1]=3 223 B15R2.5 OCCNCC1CCc2c1cccc2 34a_100020632452_100000211926 [0,1,0,0,0,0|1,0,1]=3 224 B15R2.5 OCCNN=C1CCc2c1cccc2 4a_100000210001_100000212051 [0,1,0,0,0,0|1,0,2]=4 225 B15R2.6 C=C(C)CNC1COc2c1cccc2 2230a_100000747519_100000748629 [0,1,0,0,0,0|1,0,2]=4 226 B15R2.6 C=C(C)CN[C@H]1CCc2c1cccc2 2230a_100016989578_100000748629 [0,1,0,0,0,0|0,0,2]=3 227 B15R2.6 C=C(C)CN[C@H]1CCc2c1cccc2 34a_100016989578_100000748629 [0,1,0,0,0,0|0,0,2]=3 228 B15R2.6 C=C(C)COC1CCc2c1cccc2 34a_100000212247_100000748629 [0,1,0,0,0,0|1,0,2]=4 229 B15R2.6 C=C(C)COC1CCc2c1cccc2 7a_100000212247_100000748629 [0,1,0,0,0,0|1,0,2]=4 230 B15R2.6 C=C(C)CSC1CCc2c1cccc2 62a_100000748629_200000721974 [0,1,0,0,0,0|1,0,2]=4 231 B15R2.6 C=C(F)CNC1COc2c1cccc2 2230a_100000747519_100009893438 [0,1,0,0,0,0|1,0,2]=4 232 B15R2.6 C=C(F)CN[C@H]1CCc2c1cccc2 2230a_100016989578_100009893438 [0,1,0,0,0,0|0,0,2]=3 233 B15R2.6 C=C(F)CN[C@H]1CCc2c1cccc2 34a_100016989578_100009893438 [0,1,0,0,0,0|0,0,2]=3 234 B15R2.6 C=C(F)COC1CCc2c1cccc2 34a_100000212247_100009893438 [0,1,0,0,0,0|1,0,2]=4 235 B15R2.6 C=C(F)COC1CCc2c1cccc2 7a_100000212247_100000042424 [0,1,0,0,0,0|1,0,2]=4 236 B15R2.6 C=C(F)CSC1CCc2c1cccc2 62a_100000042424_200000721974 [0,1,0,0,0,0|1,0,2]=4 237 B15R2.6 CC(C)CNC1CCc2c1cccc2 2230a_100000210953_200000721974 [0,1,0,0,0,0|0,0,2]=3 238 B15R2.6 CC(C)CNC1CCc2c1cccc2 269862a_100000210953_100000212051 [0,1,0,0,0,0|0,0,2]=3 239 B15R2.6 CC(C)CNC1COc2c1cccc2 2230a_100000747519_100000210760 [0,1,0,0,0,0|1,0,2]=4 240 B15R2.6 CC(C)CNC1COc2c1cccc2 270004a_100000747519_100000210432 [0,1,0,0,0,0|1,0,2]=4 241 B15R2.6 CC(C)CN[C@H]1CCc2c1cccc2 2230a_100016989578_100000210760 [0,1,0,0,0,0|0,0,2]=3 242 B15R2.6 CC(C)CN[C@H]1CCc2c1cccc2 270004a_100016989578_100000210432 [0,1,0,0,0,0|0,0,2]=3 243 B15R2.6 CC(C)CN[C@H]1CCc2c1cccc2 34a_100016989578_100000210624 [0,1,0,0,0,0|0,0,2]=3 244 B15R2.6 CC(C)COC1CCc2c1cccc2 34a_100000212247_100000210624 [0,1,0,0,0,0|1,0,2]=4 245 B15R2.6 CC(C)COC1CCc2c1cccc2 7a_100000212247_100000210760 [0,1,0,0,0,0|1,0,2]=4 246 B15R2.6 CC(C)CSC1CCc2c1cccc2 62a_100000210624_200000721974 [0,1,0,0,0,0|1,0,2]=4 247 B15R2.6 CC(O)CNC1CCc2c1cccc2 2230a_100000210904_200000721974 [0,1,0,0,0,0|0,0,2]=3 248 B15R2.6 CC(O)CNC1CCc2c1cccc2 269862a_100000210904_100000212051 [0,1,0,0,0,0|0,0,2]=3 249 B15R2.6 CC(O)CNC1COc2c1cccc2 2230a_100000747519_100011218427 [0,1,0,0,0,0|1,0,2]=4 250 B15R2.6 CC(O)CN[C@H]1CCc2c1cccc2 2230a_100016989578_100011218427 [0,1,0,0,0,0|0,0,2]=3 251 B15R2.6 CC(O)CN[C@H]1CCc2c1cccc2 34a_100016989578_100011218427 [0,1,0,0,0,0|0,0,2]=3 252 B15R2.6 CC(O)COC1CCc2c1cccc2 34a_100000212247_100011218427 [0,1,0,0,0,0|1,0,2]=4 253 B15R2.6 CC(O)COC1CCc2c1cccc2 7a_100000212247_100011218427 [0,1,0,0,0,0|1,0,2]=4 254 B15R2.6 CC(O)CSC1CCc2c1cccc2 62a_100011218427_200000721974 [0,1,0,0,0,0|1,0,2]=4 255 B15R2.6 C[C@@H](O)CNC1COc2c1cccc2 2230a_100000747519_100009817552 [0,1,0,0,0,0|1,0,2]=4 256 B15R2.6 C[C@@H](O)CN[C@H]1CCc2c1cccc2 2230a_100016989578_100009817552 [0,1,0,0,0,0|0,0,2]=3 257 B15R2.6 C[C@@H](O)CN[C@H]1CCc2c1cccc2 34a_100016989578_100009817552 [0,1,0,0,0,0|0,0,2]=3 258 B15R2.6 C[C@@H](O)COC1CCc2c1cccc2 34a_100000212247_100009817552 [0,1,0,0,0,0|1,0,2]=4 259 B15R2.6 C[C@@H](O)COC1CCc2c1cccc2 7a_100000212247_100009817552 [0,1,0,0,0,0|1,0,2]=4 260 B15R2.6 C[C@@H](O)CSC1CCc2c1cccc2 62a_100009817552_200000721974 [0,1,0,0,0,0|1,0,2]=4 261 B15R2.6 FC(F)CNC1COc2c1cccc2 2230a_100000747519_100011934356 [0,1,0,0,0,0|2,0,1]=4 262 B15R2.6 FC(F)CN[C@H]1CCc2c1cccc2 2230a_100016989578_100011934356 [0,1,0,0,0,0|1,0,1]=3 263 B15R2.6 FC(F)CN[C@H]1CCc2c1cccc2 34a_100016989578_100011934356 [0,1,0,0,0,0|1,0,1]=3 264 B15R2.6 FC(F)COC1CCc2c1cccc2 34a_100000212247_100011934356 [0,1,0,0,0,0|2,0,1]=4 265 B15R2.6 FC(F)COC1CCc2c1cccc2 7a_100000212247_100011934356 [0,1,0,0,0,0|2,0,1]=4 266 B15R2.6 FC(F)CSC1CCc2c1cccc2 62a_100011934356_200000721974 [0,1,0,0,0,0|2,0,1]=4 267 B15R2.6 NC(=O)CNC1CCc2c1cccc2 2230a_100000711301_200000721974 [0,1,0,0,0,0|1,0,1]=3 268 B15R2.6 NC(=O)CNC1COc2c1cccc2 2230a_100000747519_100000747473 [0,1,0,0,0,0|2,0,1]=4 269 B15R2.6 NC(=O)CN[C@H]1CCc2c1cccc2 2230a_100016989578_100000747473 [0,1,0,0,0,0|1,0,1]=3 270 B15R2.6 NC(=O)CN[C@H]1CCc2c1cccc2 34a_100016989578_100000187820 [0,1,0,0,0,0|1,0,1]=3 271 B15R2.6 NC(=O)COC1CCc2c1cccc2 34a_100000212247_100000187820 [0,1,0,0,0,0|2,0,1]=4 272 B15R2.6 NC(=O)COC1CCc2c1cccc2 7a_100000212247_100000187820 [0,1,0,0,0,0|2,0,1]=4 273 B15R2.6 NC(=O)CSC1CCc2c1cccc2 62a_100000747473_200000721974 [0,1,0,0,0,0|2,0,1]=4 274 B15R2.6 O=C(O)CNC1CCc2c1cccc2 269956a_100016091260_200000721974 [0,1,0,0,0,0|1,0,1]=3 275 B15R2.6 O=C([O-])CN[C@H]1CCc2c1cccc2 34a_100016989578_100020667443 [0,1,0,0,0,0|1,0,1]=3 276 B15R2.6 O=C([O-])COC1CCc2c1cccc2 34a_100000212247_100020667443 [0,1,0,0,0,0|2,0,1]=4 277 B15R2.6 O=C([O-])CSC1CCc2c1cccc2 62a_100020667443_200000721974 [0,1,0,0,0,0|2,0,1]=4 278 B15R2.6 O=[N+]([O-])CN[C@H]1CCc2c1cccc2 34a_100016989578_100000761209 [0,1,0,0,0,0|2,0,0]=3 279 B15R2.6 O=[N+]([O-])COC1CCc2c1cccc2 34a_100000212247_100000761209 [0,1,0,0,0,0|3,0,0]=4 280 B15R2.65 C#CCNC1CCc2c1cccc2Br 2230a_100000751068_100000038162 [0,1,0,0,0,0|0,0,0]=1 281 B15R2.65 C#CCNC1CCc2c1cccc2Br 34a_100000751068_100000184674 [0,1,0,0,0,0|0,0,0]=1 282 B15R2.65 C#CCNC1CCc2c1cccc2Cl 2230a_100000743989_100000038162 [0,1,0,0,0,0|0,0,0]=1 283 B15R2.65 C#CCNC1CCc2c1cccc2Cl 34a_100000743989_100000184674 [0,1,0,0,0,0|0,0,0]=1 284 B15R2.65 C#CCNC1COc2c1cccc2Br 2230a_100025715106_100000038162 [0,1,0,0,0,0|1,0,0]=2 285 B15R2.65 C#CCNC1COc2c1cccc2F 2230a_200011230594_100000038162 [0,1,0,0,0,0|1,0,0]=2 286 B15R2.65 C#CCNC1COc2c1cccc2F 34a_200011230594_100000184674 [0,1,0,0,0,0|1,0,0]=2 287 B15R2.65 C#CCN[C@H]1CCc2c1cccc2C 2230a_100134618347_100000038162 [0,1,0,0,0,0|0,0,0]=1 288 B15R2.65 C#CCN[C@H]1CCc2c1cccc2C 34a_100134618347_100000184674 [0,1,0,0,0,0|0,0,0]=1 289 B15R2.65 C#CCN[C@H]1CCc2c1cccc2F 2230a_100015193782_100000038162 [0,1,0,0,0,0|0,0,0]=1 290 B15R2.65 C#CCN[C@H]1CCc2c1cccc2F 34a_100015193782_100000184674 [0,1,0,0,0,0|0,0,0]=1 291 B15R2.65 C#CCN[C@H]1CCc2c1cccc2O 2230a_100134616730_100000038162 [0,1,0,0,0,0|0,0,0]=1 292 B15R2.65 C#CCN[C@H]1CCc2c1cccc2O 34a_100134616730_100000184674 [0,1,0,0,0,0|0,0,0]=1 293 B15R2.65 C#CCN[C@H]1COc2c1cccc2Cl 2230a_100102463758_100000038162 [0,1,0,0,0,0|1,0,0]=2 294 B15R2.65 C#CCN[C@H]1COc2c1cccc2Cl 34a_100102463758_100000184674 [0,1,0,0,0,0|1,0,0]=2 295 B15R2.65 C#CCOC1CCc2c1cccc2C 34a_100011467954_100000184674 [0,1,0,0,0,0|1,0,0]=2 296 B15R2.65 C#CCOC1CCc2c1cccc2C 7a_100011467954_100000038162 [0,1,0,0,0,0|1,0,0]=2 297 B15R2.65 C#CCOC1CCc2c1nccc2Cl 7a_100009868430_100000038162 [0,1,0,0,0,0|2,0,0]=3 298 B15R2.65 C#CCO[C@H]1CCc2c1cccc2Br 34a_100010080924_100000184674 [0,1,0,0,0,0|1,0,0]=2 299 B15R2.65 C#CCO[C@H]1CCc2c1cccc2Br 7a_100010080924_100000038162 [0,1,0,0,0,0|1,0,0]=2 300 B15R2.65 C=CCNC1CCc2c1cccc2Br 2230a_100000751068_100000210623 [0,1,0,0,0,0|0,0,2]=3 301 B15R2.65 C=CCNC1CCc2c1cccc2Br 34a_100000751068_100015514636 [0,1,0,0,0,0|0,0,2]=3 302 B15R2.65 C=CCNC1CCc2c1cccc2Cl 2230a_100000743989_100000210623 [0,1,0,0,0,0|0,0,2]=3 303 B15R2.65 C=CCNC1CCc2c1cccc2Cl 34a_100000743989_100015514636 [0,1,0,0,0,0|0,0,2]=3 304 B15R2.65 C=CCNC1COc2c1cccc2Br 2230a_100025715106_100000210623 [0,1,0,0,0,0|1,0,2]=4 305 B15R2.65 C=CCNC1COc2c1cccc2F 2230a_200011230594_100000210623 [0,1,0,0,0,0|1,0,2]=4 306 B15R2.65 C=CCNC1COc2c1cccc2F 34a_200011230594_100015514636 [0,1,0,0,0,0|1,0,2]=4 307 B15R2.65 C=CCN[C@H]1CCc2c1cccc2C 2230a_100134618347_100000210623 [0,1,0,0,0,0|0,0,2]=3 308 B15R2.65 C=CCN[C@H]1CCc2c1cccc2C 34a_100134618347_100015514636 [0,1,0,0,0,0|0,0,2]=3 309 B15R2.65 C=CCN[C@H]1CCc2c1cccc2F 2230a_100015193782_100000210623 [0,1,0,0,0,0|0,0,2]=3 310 B15R2.65 C=CCN[C@H]1CCc2c1cccc2F 34a_100015193782_100015514636 [0,1,0,0,0,0|0,0,2]=3 311 B15R2.65 C=CCN[C@H]1CCc2c1cccc2O 2230a_100134616730_100000210623 [0,1,0,0,0,0|0,0,2]=3 312 B15R2.65 C=CCN[C@H]1CCc2c1cccc2O 34a_100134616730_100015514636 [0,1,0,0,0,0|0,0,2]=3 313 B15R2.65 C=CCN[C@H]1COc2c1cccc2Cl 2230a_100102463758_100000210623 [0,1,0,0,0,0|1,0,2]=4 314 B15R2.65 C=CCN[C@H]1COc2c1cccc2Cl 34a_100102463758_100015514636 [0,1,0,0,0,0|1,0,2]=4 315 B15R2.65 C=CCOC1CCc2c1cccc2C 34a_100011467954_100015514636 [0,1,0,0,0,0|1,0,2]=4 316 B15R2.65 C=CCOC1CCc2c1cccc2C 7a_100011467954_100015514636 [0,1,0,0,0,0|1,0,2]=4 317 B15R2.65 C=CCO[C@H]1CCc2c1cccc2Br 34a_100010080924_100015514636 [0,1,0,0,0,0|1,0,2]=4 318 B15R2.65 C=CCO[C@H]1CCc2c1cccc2Br 7a_100010080924_100015514636 [0,1,0,0,0,0|1,0,2]=4 319 B15R2.65 CCCNC1CCc2c1cccc2Br 2230a_100000751068_100000210303 [0,1,0,0,0,0|0,0,2]=3 320 B15R2.65 CCCNC1CCc2c1cccc2Br 269862a_100020643023_100000744605 [0,1,0,0,0,0|0,0,2]=3 321 B15R2.65 CCCNC1CCc2c1cccc2Br 34a_100000751068_100000210303 [0,1,0,0,0,0|0,0,2]=3 322 B15R2.65 CCCNC1CCc2c1cccc2C 269862a_100020643023_100000752022 [0,1,0,0,0,0|0,0,2]=3 323 B15R2.65 CCCNC1CCc2c1cccc2Cl 2230a_100000743989_100000210303 [0,1,0,0,0,0|0,0,2]=3 324 B15R2.65 CCCNC1CCc2c1cccc2Cl 269862a_100020643023_100000743251 [0,1,0,0,0,0|0,0,2]=3 325 B15R2.65 CCCNC1CCc2c1cccc2Cl 34a_100000743989_100000210303 [0,1,0,0,0,0|0,0,2]=3 326 B15R2.65 CCCNC1CCc2c1cccc2F 269862a_100020643023_100000743250 [0,1,0,0,0,0|0,0,2]=3 327 B15R2.65 CCCNC1CCc2c1cccc2I 269862a_100020643023_100000049675 [0,1,0,0,0,0|0,0,2]=3 328 B15R2.65 CCCNC1COc2c1cccc2Br 2230a_100025715106_100000210303 [0,1,0,0,0,0|1,0,2]=4 329 B15R2.65 CCCNC1COc2c1cccc2F 2230a_200011230594_100000210303 [0,1,0,0,0,0|1,0,2]=4 330 B15R2.65 CCCNC1COc2c1cccc2F 34a_200011230594_100000210303 [0,1,0,0,0,0|1,0,2]=4 331 B15R2.65 CCCN[C@H]1CCc2c1cccc2C 2230a_100134618347_100000210303 [0,1,0,0,0,0|0,0,2]=3 332 B15R2.65 CCCN[C@H]1CCc2c1cccc2C 34a_100134618347_100000210303 [0,1,0,0,0,0|0,0,2]=3 333 B15R2.65 CCCN[C@H]1CCc2c1cccc2F 2230a_100015193782_100000210303 [0,1,0,0,0,0|0,0,2]=3 334 B15R2.65 CCCN[C@H]1CCc2c1cccc2F 34a_100015193782_100000210303 [0,1,0,0,0,0|0,0,2]=3 335 B15R2.65 CCCN[C@H]1CCc2c1cccc2O 2230a_100134616730_100000210303 [0,1,0,0,0,0|0,0,2]=3 336 B15R2.65 CCCN[C@H]1CCc2c1cccc2O 34a_100134616730_100000210303 [0,1,0,0,0,0|0,0,2]=3 337 B15R2.65 CCCN[C@H]1COc2c1cccc2Cl 2230a_100102463758_100000210303 [0,1,0,0,0,0|1,0,2]=4 338 B15R2.65 CCCN[C@H]1COc2c1cccc2Cl 34a_100102463758_100000210303 [0,1,0,0,0,0|1,0,2]=4 339 B15R2.65 CCCOC1CCc2c1cccc2C 34a_100011467954_100000210303 [0,1,0,0,0,0|1,0,2]=4 340 B15R2.65 CCCOC1CCc2c1cccc2C 7a_100011467954_100000210303 [0,1,0,0,0,0|1,0,2]=4 341 B15R2.65 CCCO[C@H]1CCc2c1cccc2Br 34a_100010080924_100000210303 [0,1,0,0,0,0|1,0,2]=4 342 B15R2.65 CCCO[C@H]1CCc2c1cccc2Br 7a_100010080924_100000210303 [0,1,0,0,0,0|1,0,2]=4 343 B15R2.65 COCNC1CCc2c1cccc2Br 2230a_100000751068_100000766300 [0,1,0,0,0,0|1,0,1]=3 344 B15R2.65 COCNC1CCc2c1cccc2Cl 2230a_100000743989_100000766300 [0,1,0,0,0,0|1,0,1]=3 345 B15R2.65 COCNC1COc2c1cccc2Br 2230a_100025715106_100000766300 [0,1,0,0,0,0|2,0,1]=4 346 B15R2.65 COCNC1COc2c1cccc2F 2230a_200011230594_100000766300 [0,1,0,0,0,0|2,0,1]=4 347 B15R2.65 COCN[C@H]1CCc2c1cccc2C 2230a_100134618347_100000766300 [0,1,0,0,0,0|1,0,1]=3 348 B15R2.65 COCN[C@H]1CCc2c1cccc2F 2230a_100015193782_100000766300 [0,1,0,0,0,0|1,0,1]=3 349 B15R2.65 COCN[C@H]1CCc2c1cccc2O 2230a_100134616730_100000766300 [0,1,0,0,0,0|1,0,1]=3 350 B15R2.65 COCN[C@H]1COc2c1cccc2Cl 2230a_100102463758_100000766300 [0,1,0,0,0,0|2,0,1]=4 351 B15R2.65 CSCNC1CCc2c1cccc2Br 2230a_100000751068_100011218213 [0,1,0,0,0,0|1,0,1]=3 352 B15R2.65 CSCNC1CCc2c1cccc2Br 34a_100000751068_100011218213 [0,1,0,0,0,0|1,0,1]=3 353 B15R2.65 CSCNC1CCc2c1cccc2Cl 2230a_100000743989_100011218213 [0,1,0,0,0,0|1,0,1]=3 354 B15R2.65 CSCNC1CCc2c1cccc2Cl 34a_100000743989_100011218213 [0,1,0,0,0,0|1,0,1]=3 355 B15R2.65 CSCNC1COc2c1cccc2Br 2230a_100025715106_100011218213 [0,1,0,0,0,0|2,0,1]=4 356 B15R2.65 CSCNC1COc2c1cccc2F 2230a_200011230594_100011218213 [0,1,0,0,0,0|2,0,1]=4 357 B15R2.65 CSCNC1COc2c1cccc2F 34a_200011230594_100011218213 [0,1,0,0,0,0|2,0,1]=4 358 B15R2.65 CSCN[C@H]1CCc2c1cccc2C 2230a_100134618347_100011218213 [0,1,0,0,0,0|1,0,1]=3 359 B15R2.65 CSCN[C@H]1CCc2c1cccc2C 34a_100134618347_100011218213 [0,1,0,0,0,0|1,0,1]=3 360 B15R2.65 CSCN[C@H]1CCc2c1cccc2F 2230a_100015193782_100011218213 [0,1,0,0,0,0|1,0,1]=3 361 B15R2.65 CSCN[C@H]1CCc2c1cccc2F 34a_100015193782_100011218213 [0,1,0,0,0,0|1,0,1]=3 362 B15R2.65 CSCN[C@H]1CCc2c1cccc2O 2230a_100134616730_100011218213 [0,1,0,0,0,0|1,0,1]=3 363 B15R2.65 CSCN[C@H]1CCc2c1cccc2O 34a_100134616730_100011218213 [0,1,0,0,0,0|1,0,1]=3 364 B15R2.65 CSCN[C@H]1COc2c1cccc2Cl 2230a_100102463758_100011218213 [0,1,0,0,0,0|2,0,1]=4 365 B15R2.65 CSCN[C@H]1COc2c1cccc2Cl 34a_100102463758_100011218213 [0,1,0,0,0,0|2,0,1]=4 366 B15R2.65 CSCOC1CCc2c1cccc2C 34a_100011467954_100011218213 [0,1,0,0,0,0|2,0,1]=4 367 B15R2.65 CSCO[C@H]1CCc2c1cccc2Br 34a_100010080924_100011218213 [0,1,0,0,0,0|2,0,1]=4 368 B15R2.65 Cc1cccc2c1CCC2NCCF 269862a_100000724931_100000752022 [0,1,0,0,0,0|1,0,1]=3 369 B15R2.65 Cc1cccc2c1CCC2NCCO 269862a_100000210304_100000752022 [0,1,0,0,0,0|1,0,1]=3 370 B15R2.65 Cc1cccc2c1CCC2OCC#N 7a_100011467954_100011215382 [0,1,0,0,0,0|2,0,0]=3 371 B15R2.65 Cc1cccc2c1CCC2OCC=O 34a_100011467954_200009817547 [0,1,0,0,0,0|2,0,1]=4 372 B15R2.65 Cc1cccc2c1CCC2OCC=O 7a_100011467954_200015260668 [0,1,0,0,0,0|2,0,1]=4 373 B15R2.65 Cc1cccc2c1CCC2OCCF 34a_100011467954_100011217306 [0,1,0,0,0,0|2,0,1]=4 374 B15R2.65 Cc1cccc2c1CCC2OCCF 7a_100011467954_100011217306 [0,1,0,0,0,0|2,0,1]=4 375 B15R2.65 Cc1cccc2c1CCC2OCCO 34a_100011467954_100000211926 [0,1,0,0,0,0|2,0,1]=4 376 B15R2.65 Cc1cccc2c1CCC2OCCO 7a_100011467954_100000211926 [0,1,0,0,0,0|2,0,1]=4 377 B15R2.65 Cc1cccc2c1CC[C@@H]2NCC#N 2230a_100134618347_100011215382 [0,1,0,0,0,0|1,0,0]=2 378 B15R2.65 Cc1cccc2c1CC[C@@H]2NCC=O 2230a_100134618347_200015260668 [0,1,0,0,0,0|1,0,1]=3 379 B15R2.65 Cc1cccc2c1CC[C@@H]2NCC=O 34a_100134618347_200009817547 [0,1,0,0,0,0|1,0,1]=3 380 B15R2.65 Cc1cccc2c1CC[C@@H]2NCCF 2230a_100134618347_100011217306 [0,1,0,0,0,0|1,0,1]=3 381 B15R2.65 Cc1cccc2c1CC[C@@H]2NCCF 34a_100134618347_100011217306 [0,1,0,0,0,0|1,0,1]=3 382 B15R2.65 Cc1cccc2c1CC[C@@H]2NCCO 2230a_100134618347_100000211926 [0,1,0,0,0,0|1,0,1]=3 383 B15R2.65 Cc1cccc2c1CC[C@@H]2NCCO 34a_100134618347_100000211926 [0,1,0,0,0,0|1,0,1]=3 384 B15R2.65 FCCNC1CCc2c1cccc2Br 2230a_100000751068_100011217306 [0,1,0,0,0,0|1,0,1]=3 385 B15R2.65 FCCNC1CCc2c1cccc2Br 269862a_100000724931_100000744605 [0,1,0,0,0,0|1,0,1]=3 386 B15R2.65 FCCNC1CCc2c1cccc2Br 34a_100000751068_100011217306 [0,1,0,0,0,0|1,0,1]=3 387 B15R2.65 FCCNC1CCc2c1cccc2Cl 2230a_100000743989_100011217306 [0,1,0,0,0,0|1,0,1]=3 388 B15R2.65 FCCNC1CCc2c1cccc2Cl 269862a_100000724931_100000743251 [0,1,0,0,0,0|1,0,1]=3 389 B15R2.65 FCCNC1CCc2c1cccc2Cl 34a_100000743989_100011217306 [0,1,0,0,0,0|1,0,1]=3 390 B15R2.65 FCCNC1CCc2c1cccc2F 269862a_100000724931_100000743250 [0,1,0,0,0,0|1,0,1]=3 391 B15R2.65 FCCNC1CCc2c1cccc2I 269862a_100000724931_100000049675 [0,1,0,0,0,0|1,0,1]=3 392 B15R2.65 FCCNC1COc2c1cccc2Br 2230a_100025715106_100011217306 [0,1,0,0,0,0|2,0,1]=4 393 B15R2.65 FCCNC1COc2c1cccc2F 2230a_200011230594_100011217306 [0,1,0,0,0,0|2,0,1]=4 394 B15R2.65 FCCNC1COc2c1cccc2F 34a_200011230594_100011217306 [0,1,0,0,0,0|2,0,1]=4 395 B15R2.65 FCCN[C@H]1CCc2c1cccc2F 2230a_100015193782_100011217306 [0,1,0,0,0,0|1,0,1]=3 396 B15R2.65 FCCN[C@H]1CCc2c1cccc2F 34a_100015193782_100011217306 [0,1,0,0,0,0|1,0,1]=3 397 B15R2.65 FCCN[C@H]1COc2c1cccc2Cl 2230a_100102463758_100011217306 [0,1,0,0,0,0|2,0,1]=4 398 B15R2.65 FCCN[C@H]1COc2c1cccc2Cl 34a_100102463758_100011217306 [0,1,0,0,0,0|2,0,1]=4 399 B15R2.65 FCCO[C@H]1CCc2c1cccc2Br 34a_100010080924_100011217306 [0,1,0,0,0,0|2,0,1]=4 400 B15R2.65 FCCO[C@H]1CCc2c1cccc2Br 7a_100010080924_100011217306 [0,1,0,0,0,0|2,0,1]=4 401 B15R2.65 N#CCNC1CCc2c1cccc2Br 2230a_100000751068_100011215382 [0,1,0,0,0,0|1,0,0]=2 402 B15R2.65 N#CCNC1CCc2c1cccc2Cl 2230a_100000743989_100011215382 [0,1,0,0,0,0|1,0,0]=2 403 B15R2.65 N#CCNC1COc2c1cccc2Br 2230a_100025715106_100011215382 [0,1,0,0,0,0|2,0,0]=3 404 B15R2.65 N#CCNC1COc2c1cccc2F 2230a_200011230594_100011215382 [0,1,0,0,0,0|2,0,0]=3 405 B15R2.65 N#CCN[C@H]1CCc2c1cccc2F 2230a_100015193782_100011215382 [0,1,0,0,0,0|1,0,0]=2 406 B15R2.65 N#CCN[C@H]1CCc2c1cccc2O 2230a_100134616730_100011215382 [0,1,0,0,0,0|1,0,0]=2 407 B15R2.65 N#CCN[C@H]1COc2c1cccc2Cl 2230a_100102463758_100011215382 [0,1,0,0,0,0|2,0,0]=3 408 B15R2.65 N#CCOC1CCc2c1nccc2Cl 7a_100009868430_100011215382 [0,1,0,0,0,0|3,0,0]=4 409 B15R2.65 N#CCO[C@H]1CCc2c1cccc2Br 7a_100010080924_100011215382 [0,1,0,0,0,0|2,0,0]=3 410 B15R2.65 O=CCNC1CCc2c1cccc2Br 2230a_100000751068_200015260668 [0,1,0,0,0,0|1,0,1]=3 411 B15R2.65 O=CCNC1CCc2c1cccc2Br 34a_100000751068_200009817547 [0,1,0,0,0,0|1,0,1]=3 412 B15R2.65 O=CCNC1CCc2c1cccc2Cl 2230a_100000743989_200015260668 [0,1,0,0,0,0|1,0,1]=3 413 B15R2.65 O=CCNC1CCc2c1cccc2Cl 34a_100000743989_200009817547 [0,1,0,0,0,0|1,0,1]=3 414 B15R2.65 O=CCNC1COc2c1cccc2Br 2230a_100025715106_200015260668 [0,1,0,0,0,0|2,0,1]=4 415 B15R2.65 O=CCNC1COc2c1cccc2F 2230a_200011230594_200015260668 [0,1,0,0,0,0|2,0,1]=4 416 B15R2.65 O=CCNC1COc2c1cccc2F 34a_200011230594_200009817547 [0,1,0,0,0,0|2,0,1]=4 417 B15R2.65 O=CCN[C@H]1CCc2c1cccc2F 2230a_100015193782_200015260668 [0,1,0,0,0,0|1,0,1]=3 418 B15R2.65 O=CCN[C@H]1CCc2c1cccc2F 34a_100015193782_200009817547 [0,1,0,0,0,0|1,0,1]=3 419 B15R2.65 O=CCN[C@H]1CCc2c1cccc2O 2230a_100134616730_200015260668 [0,1,0,0,0,0|1,0,1]=3 420 B15R2.65 O=CCN[C@H]1CCc2c1cccc2O 34a_100134616730_200009817547 [0,1,0,0,0,0|1,0,1]=3 421 B15R2.65 O=CCN[C@H]1COc2c1cccc2Cl 2230a_100102463758_200015260668 [0,1,0,0,0,0|2,0,1]=4 422 B15R2.65 O=CCN[C@H]1COc2c1cccc2Cl 34a_100102463758_200009817547 [0,1,0,0,0,0|2,0,1]=4 423 B15R2.65 O=CCO[C@H]1CCc2c1cccc2Br 34a_100010080924_200009817547 [0,1,0,0,0,0|2,0,1]=4 424 B15R2.65 O=CCO[C@H]1CCc2c1cccc2Br 7a_100010080924_200015260668 [0,1,0,0,0,0|2,0,1]=4 425 B15R2.65 OCCNC1CCc2c1cccc2Br 2230a_100000751068_100000211926 [0,1,0,0,0,0|1,0,1]=3 426 B15R2.65 OCCNC1CCc2c1cccc2Br 269862a_100000210304_100000744605 [0,1,0,0,0,0|1,0,1]=3 427 B15R2.65 OCCNC1CCc2c1cccc2Br 34a_100000751068_100000211926 [0,1,0,0,0,0|1,0,1]=3 428 B15R2.65 OCCNC1CCc2c1cccc2Cl 2230a_100000743989_100000211926 [0,1,0,0,0,0|1,0,1]=3 429 B15R2.65 OCCNC1CCc2c1cccc2Cl 269862a_100000210304_100000743251 [0,1,0,0,0,0|1,0,1]=3 430 B15R2.65 OCCNC1CCc2c1cccc2Cl 34a_100000743989_100000211926 [0,1,0,0,0,0|1,0,1]=3 431 B15R2.65 OCCNC1CCc2c1cccc2F 269862a_100000210304_100000743250 [0,1,0,0,0,0|1,0,1]=3 432 B15R2.65 OCCNC1CCc2c1cccc2I 269862a_100000210304_100000049675 [0,1,0,0,0,0|1,0,1]=3 433 B15R2.65 OCCNC1COc2c1cccc2Br 2230a_100025715106_100000211926 [0,1,0,0,0,0|2,0,1]=4 434 B15R2.65 OCCNC1COc2c1cccc2F 2230a_200011230594_100000211926 [0,1,0,0,0,0|2,0,1]=4 435 B15R2.65 OCCNC1COc2c1cccc2F 34a_200011230594_100000211926 [0,1,0,0,0,0|2,0,1]=4 436 B15R2.65 OCCN[C@H]1CCc2c1cccc2F 2230a_100015193782_100000211926 [0,1,0,0,0,0|1,0,1]=3 437 B15R2.65 OCCN[C@H]1CCc2c1cccc2F 34a_100015193782_100000211926 [0,1,0,0,0,0|1,0,1]=3 438 B15R2.65 OCCN[C@H]1CCc2c1cccc2O 2230a_100134616730_100000211926 [0,1,0,0,0,0|1,0,1]=3 439 B15R2.65 OCCN[C@H]1CCc2c1cccc2O 34a_100134616730_100000211926 [0,1,0,0,0,0|1,0,1]=3 440 B15R2.65 OCCN[C@H]1COc2c1cccc2Cl 2230a_100102463758_100000211926 [0,1,0,0,0,0|2,0,1]=4 441 B15R2.65 OCCN[C@H]1COc2c1cccc2Cl 34a_100102463758_100000211926 [0,1,0,0,0,0|2,0,1]=4 442 B15R2.65 OCCO[C@H]1CCc2c1cccc2Br 34a_100010080924_100000211926 [0,1,0,0,0,0|2,0,1]=4 443 B15R2.65 OCCO[C@H]1CCc2c1cccc2Br 7a_100010080924_100000211926 [0,1,0,0,0,0|2,0,1]=4 444 B15R2.65 Oc1cccc2c1CC[C@@H]2NCCF 2230a_100134616730_100011217306 [0,1,0,0,0,0|1,0,1]=3 445 B15R2.65 Oc1cccc2c1CC[C@@H]2NCCF 34a_100134616730_100011217306 [0,1,0,0,0,0|1,0,1]=3 446 B15R2.73 C#CCC(=O)C1=CCc2c1cccc2 1458a_100000037392_100000184674 [0,1,0,0,0,0|1,0,2]=4 447 B15R2.73 C#CCC(=O)C1C=Cc2c1cccc2 1458a_200009832160_100000184674 [0,1,0,0,0,0|1,0,2]=4 448 B15R2.73 C#CCC(=O)C1CCc2c1cccc2 1458a_100000750891_100000184674 [0,1,0,0,0,0|1,0,0]=2 449 B15R2.73 C#CCN(C)C1CCc2c1cccc2 2230a_100000225692_200000721974 [0,1,0,0,0,0|0,0,0]=1 450 B15R2.73 C#CCN(C)C1CCc2c1cccc2 2230a_100000740409_200000210301 [0,1,0,0,0,0|0,0,0]=1 451 B15R2.73 C#CCN(C)C1CCc2c1cccc2 34a_100000740409_200000210301 [0,1,0,0,0,0|0,0,0]=1 452 B15R2.73 C#CCN([13CH3])C1CCc2c1cccc2 2230a_100000740409_200025704644 [0,1,0,0,0,0|0,0,0]=1 453 B15R2.73 C#CCN([13CH3])C1CCc2c1cccc2 34a_100000740409_200025704644 [0,1,0,0,0,0|0,0,0]=1 454 B15R2.73 C=CCC(=O)C1CCc2c1cccc2 1458a_100000750891_100000210623 [0,1,0,0,0,0|1,0,2]=4 455 B15R2.73 C=CCN(C)C1CCc2c1cccc2 2230a_100000225617_200000721974 [0,1,0,0,0,0|0,0,2]=3 456 B15R2.73 C=CCN(C)C1CCc2c1cccc2 269982a_100000225617_200000721974 [0,1,0,0,0,0|0,0,2]=3 457 B15R2.73 CCCC(=O)C1CCc2c1cccc2 1458a_100000750891_100000210303 [0,1,0,0,0,0|1,0,2]=4 458 B15R2.73 CCCN(C)C1CCc2c1cccc2 2230a_100000737437_200000210301 [0,1,0,0,0,0|0,0,2]=3 459 B15R2.73 CCCN(C)C1CCc2c1cccc2 2230a_100000747261_200000721974 [0,1,0,0,0,0|0,0,2]=3 460 B15R2.73 CCCN(C)C1CCc2c1cccc2 269982a_100000737437_200000210301 [0,1,0,0,0,0|0,0,2]=3 461 B15R2.73 CCCN(C)C1CCc2c1cccc2 269982a_100000747261_200000721974 [0,1,0,0,0,0|0,0,2]=3 462 B15R2.73 CCCN(C)C1CCc2c1cccc2 34a_100000737437_200000210301 [0,1,0,0,0,0|0,0,2]=3 463 B15R2.73 CCCN([13CH3])C1CCc2c1cccc2 2230a_100000737437_200025704644 [0,1,0,0,0,0|0,0,2]=3 464 B15R2.73 CCCN([13CH3])C1CCc2c1cccc2 269982a_100000737437_200025704644 [0,1,0,0,0,0|0,0,2]=3 465 B15R2.73 CCCN([13CH3])C1CCc2c1cccc2 34a_100000737437_200025704644 [0,1,0,0,0,0|0,0,2]=3 466 B15R2.73 CN(CC#N)C1CCc2c1cccc2 2230a_100000748184_200000721974 [0,1,0,0,0,0|1,0,0]=2 467 B15R2.73 CN(CCO)C1CCc2c1cccc2 2230a_100000210263_200000721974 [0,1,0,0,0,0|1,0,1]=3 468 B15R2.73 CN(CCO)C1CCc2c1cccc2 269982a_100000210263_200000721974 [0,1,0,0,0,0|1,0,1]=3 469 B15R2.73 N#CCC(=O)C1CCc2c1cccc2 1458a_100000750891_100011214920 [0,1,0,0,0,0|2,0,0]=3 470 B15R2.73 O=C(CCF)C1CCc2c1cccc2 1458a_100000750891_100011217306 [0,1,0,0,0,0|2,0,1]=4 471 B15R2.73 O=C(CCO)C1CCc2c1cccc2 1458a_100000750891_100000211926 [0,1,0,0,0,0|2,0,1]=4 472 B15R2.1385 C#CCNC1CCc2c1ccc(c2)Br 2230a_100000744021_100000038162 [0,1,0,0,0,0|0,0,0]=1 473 B15R2.1385 C#CCNC1CCc2c1ccc(c2)Br 34a_100000744021_100000184674 [0,1,0,0,0,0|0,0,0]=1 474 B15R2.1385 C#CCNC1CCc2c1ccc(c2)C 2230a_200000746848_100000038162 [0,1,0,0,0,0|0,0,0]=1 475 B15R2.1385 C#CCNC1CCc2c1ccc(c2)C 34a_200000746848_100000184674 [0,1,0,0,0,0|0,0,0]=1 476 B15R2.1385 C#CCNC1CCc2c1ccc(c2)Cl 2230a_100000743821_100000038162 [0,1,0,0,0,0|0,0,0]=1 477 B15R2.1385 C#CCNC1CCc2c1ccc(c2)Cl 34a_100000743821_100000184674 [0,1,0,0,0,0|0,0,0]=1 478 B15R2.1385 C#CCNC1COc2c1ccc(c2)Br 2230a_100020628175_100000038162 [0,1,0,0,0,0|1,0,0]=2 479 B15R2.1385 C#CCN[C@@H]1CCc2c1ccc(c2)F 2230a_100025717273_100000038162 [0,1,0,0,0,0|0,0,0]=1 480 B15R2.1385 C#CCN[C@@H]1CCc2c1ccc(c2)F 34a_100025717273_100000184674 [0,1,0,0,0,0|0,0,0]=1 481 B15R2.1385 C#CCN[C@@H]1COc2c1ccc(c2)Cl 2230a_100138412546_100000038162 [0,1,0,0,0,0|1,0,0]=2 482 B15R2.1385 C#CCN[C@H]1COc2c1ccc(c2)F 2230a_100102463760_100000038162 [0,1,0,0,0,0|1,0,0]=2 483 B15R2.1385 C#CCN[C@H]1COc2c1ccc(c2)F 34a_100102463760_100000184674 [0,1,0,0,0,0|1,0,0]=2 484 B15R2.1385 C#CCOC1CCc2c1ccc(c2)Br 34a_100000747877_100000184674 [0,1,0,0,0,0|1,0,0]=2 485 B15R2.1385 C#CCOC1CCc2c1ccc(c2)Br 7a_100000747877_100000038162 [0,1,0,0,0,0|1,0,0]=2 486 B15R2.1385 C#CCOC1CCc2c1ccc(c2)C 34a_100000103036_100000184674 [0,1,0,0,0,0|1,0,0]=2 487 B15R2.1385 C#CCOC1CCc2c1ccc(c2)C 7a_100000103036_100000038162 [0,1,0,0,0,0|1,0,0]=2 488 B15R2.1385 C#CCOC1CCc2c1ccc(c2)Cl 34a_100012002497_100000184674 [0,1,0,0,0,0|1,0,0]=2 489 B15R2.1385 C#CCOC1CCc2c1ccc(c2)Cl 7a_100012002497_100000038162 [0,1,0,0,0,0|1,0,0]=2 490 B15R2.1385 C#CCOC1CCc2c1ccc(c2)F 34a_100012002498_100000184674 [0,1,0,0,0,0|1,0,0]=2 491 B15R2.1385 C#CCOC1CCc2c1ccc(c2)F 7a_100012002498_100000038162 [0,1,0,0,0,0|1,0,0]=2 492 B15R2.1385 C=CCNC1CCc2c1ccc(c2)Br 2230a_100000744021_100000210623 [0,1,0,0,0,0|0,0,2]=3 493 B15R2.1385 C=CCNC1CCc2c1ccc(c2)Br 34a_100000744021_100015514636 [0,1,0,0,0,0|0,0,2]=3 494 B15R2.1385 C=CCNC1CCc2c1ccc(c2)C 2230a_200000746848_100000210623 [0,1,0,0,0,0|0,0,2]=3 495 B15R2.1385 C=CCNC1CCc2c1ccc(c2)C 34a_200000746848_100015514636 [0,1,0,0,0,0|0,0,2]=3 496 B15R2.1385 C=CCNC1CCc2c1ccc(c2)Cl 2230a_100000743821_100000210623 [0,1,0,0,0,0|0,0,2]=3 497 B15R2.1385 C=CCNC1CCc2c1ccc(c2)Cl 34a_100000743821_100015514636 [0,1,0,0,0,0|0,0,2]=3 498 B15R2.1385 C=CCNC1COc2c1ccc(c2)Br 2230a_100020628175_100000210623 [0,1,0,0,0,0|1,0,2]=4 499 B15R2.1385 C=CCN[C@@H]1CCc2c1ccc(c2)F 2230a_100025717273_100000210623 [0,1,0,0,0,0|0,0,2]=3 500 B15R2.1385 C=CCN[C@@H]1CCc2c1ccc(c2)F 34a_100025717273_100015514636 [0,1,0,0,0,0|0,0,2]=3 501 B15R2.1385 C=CCN[C@@H]1COc2c1ccc(c2)Cl 2230a_100138412546_100000210623 [0,1,0,0,0,0|1,0,2]=4 502 B15R2.1385 C=CCN[C@H]1COc2c1ccc(c2)F 2230a_100102463760_100000210623 [0,1,0,0,0,0|1,0,2]=4 503 B15R2.1385 C=CCN[C@H]1COc2c1ccc(c2)F 34a_100102463760_100015514636 [0,1,0,0,0,0|1,0,2]=4 504 B15R2.1385 C=CCOC1CCc2c1ccc(c2)Br 34a_100000747877_100015514636 [0,1,0,0,0,0|1,0,2]=4 505 B15R2.1385 C=CCOC1CCc2c1ccc(c2)Br 7a_100000747877_100015514636 [0,1,0,0,0,0|1,0,2]=4 506 B15R2.1385 C=CCOC1CCc2c1ccc(c2)C 34a_100000103036_100015514636 [0,1,0,0,0,0|1,0,2]=4 507 B15R2.1385 C=CCOC1CCc2c1ccc(c2)C 7a_100000103036_100015514636 [0,1,0,0,0,0|1,0,2]=4 508 B15R2.1385 C=CCOC1CCc2c1ccc(c2)Cl 34a_100012002497_100015514636 [0,1,0,0,0,0|1,0,2]=4 509 B15R2.1385 C=CCOC1CCc2c1ccc(c2)Cl 7a_100012002497_100015514636 [0,1,0,0,0,0|1,0,2]=4 510 B15R2.1385 C=CCOC1CCc2c1ccc(c2)F 34a_100012002498_100015514636 [0,1,0,0,0,0|1,0,2]=4 511 B15R2.1385 C=CCOC1CCc2c1ccc(c2)F 7a_100012002498_100015514636 [0,1,0,0,0,0|1,0,2]=4 512 B15R2.1385 CCCNC1CCc2c1ccc(c2)Br 2230a_100000744021_100000210303 [0,1,0,0,0,0|0,0,2]=3 513 B15R2.1385 CCCNC1CCc2c1ccc(c2)Br 269862a_100020643023_100000737041 [0,1,0,0,0,0|0,0,2]=3 514 B15R2.1385 CCCNC1CCc2c1ccc(c2)Br 34a_100000744021_100000210303 [0,1,0,0,0,0|0,0,2]=3 515 B15R2.1385 CCCNC1CCc2c1ccc(c2)C 2230a_200000746848_100000210303 [0,1,0,0,0,0|0,0,2]=3 516 B15R2.1385 CCCNC1CCc2c1ccc(c2)C 269862a_100020643023_100000743249 [0,1,0,0,0,0|0,0,2]=3 517 B15R2.1385 CCCNC1CCc2c1ccc(c2)C 34a_200000746848_100000210303 [0,1,0,0,0,0|0,0,2]=3 518 B15R2.1385 CCCNC1CCc2c1ccc(c2)Cl 2230a_100000743821_100000210303 [0,1,0,0,0,0|0,0,2]=3 519 B15R2.1385 CCCNC1CCc2c1ccc(c2)Cl 269862a_100020643023_100000751102 [0,1,0,0,0,0|0,0,2]=3 520 B15R2.1385 CCCNC1CCc2c1ccc(c2)Cl 34a_100000743821_100000210303 [0,1,0,0,0,0|0,0,2]=3 521 B15R2.1385 CCCNC1CCc2c1ccc(c2)F 269862a_100020643023_100000035798 [0,1,0,0,0,0|0,0,2]=3 522 B15R2.1385 CCCNC1CCc2c1ccc(c2)I 269862a_100020643023_100000049573 [0,1,0,0,0,0|0,0,2]=3 523 B15R2.1385 CCCNC1COc2c1ccc(c2)Br 2230a_100020628175_100000210303 [0,1,0,0,0,0|1,0,2]=4 524 B15R2.1385 CCCN[C@@H]1CCc2c1ccc(c2)F 2230a_100025717273_100000210303 [0,1,0,0,0,0|0,0,2]=3 525 B15R2.1385 CCCN[C@@H]1CCc2c1ccc(c2)F 34a_100025717273_100000210303 [0,1,0,0,0,0|0,0,2]=3 526 B15R2.1385 CCCN[C@@H]1COc2c1ccc(c2)Cl 2230a_100138412546_100000210303 [0,1,0,0,0,0|1,0,2]=4 527 B15R2.1385 CCCN[C@H]1COc2c1ccc(c2)F 2230a_100102463760_100000210303 [0,1,0,0,0,0|1,0,2]=4 528 B15R2.1385 CCCN[C@H]1COc2c1ccc(c2)F 34a_100102463760_100000210303 [0,1,0,0,0,0|1,0,2]=4 529 B15R2.1385 CCCOC1CCc2c1ccc(c2)Br 34a_100000747877_100000210303 [0,1,0,0,0,0|1,0,2]=4 530 B15R2.1385 CCCOC1CCc2c1ccc(c2)Br 7a_100000747877_100000210303 [0,1,0,0,0,0|1,0,2]=4 531 B15R2.1385 CCCOC1CCc2c1ccc(c2)C 34a_100000103036_100000210303 [0,1,0,0,0,0|1,0,2]=4 532 B15R2.1385 CCCOC1CCc2c1ccc(c2)C 7a_100000103036_100000210303 [0,1,0,0,0,0|1,0,2]=4 533 B15R2.1385 CCCOC1CCc2c1ccc(c2)Cl 34a_100012002497_100000210303 [0,1,0,0,0,0|1,0,2]=4 534 B15R2.1385 CCCOC1CCc2c1ccc(c2)Cl 7a_100012002497_100000210303 [0,1,0,0,0,0|1,0,2]=4 535 B15R2.1385 CCCOC1CCc2c1ccc(c2)F 34a_100012002498_100000210303 [0,1,0,0,0,0|1,0,2]=4 536 B15R2.1385 CCCOC1CCc2c1ccc(c2)F 7a_100012002498_100000210303 [0,1,0,0,0,0|1,0,2]=4 537 B15R2.1385 COCNC1CCc2c1ccc(c2)Br 2230a_100000744021_100000766300 [0,1,0,0,0,0|1,0,1]=3 538 B15R2.1385 COCNC1CCc2c1ccc(c2)C 2230a_200000746848_100000766300 [0,1,0,0,0,0|1,0,1]=3 539 B15R2.1385 COCNC1CCc2c1ccc(c2)Cl 2230a_100000743821_100000766300 [0,1,0,0,0,0|1,0,1]=3 540 B15R2.1385 COCNC1COc2c1ccc(c2)Br 2230a_100020628175_100000766300 [0,1,0,0,0,0|2,0,1]=4 541 B15R2.1385 COCN[C@@H]1CCc2c1ccc(c2)F 2230a_100025717273_100000766300 [0,1,0,0,0,0|1,0,1]=3 542 B15R2.1385 COCN[C@@H]1COc2c1ccc(c2)Cl 2230a_100138412546_100000766300 [0,1,0,0,0,0|2,0,1]=4 543 B15R2.1385 COCN[C@H]1COc2c1ccc(c2)F 2230a_100102463760_100000766300 [0,1,0,0,0,0|2,0,1]=4 544 B15R2.1385 CSCNC1CCc2c1ccc(c2)Br 2230a_100000744021_100011218213 [0,1,0,0,0,0|1,0,1]=3 545 B15R2.1385 CSCNC1CCc2c1ccc(c2)Br 34a_100000744021_100011218213 [0,1,0,0,0,0|1,0,1]=3 546 B15R2.1385 CSCNC1CCc2c1ccc(c2)C 2230a_200000746848_100011218213 [0,1,0,0,0,0|1,0,1]=3 547 B15R2.1385 CSCNC1CCc2c1ccc(c2)C 34a_200000746848_100011218213 [0,1,0,0,0,0|1,0,1]=3 548 B15R2.1385 CSCNC1CCc2c1ccc(c2)Cl 2230a_100000743821_100011218213 [0,1,0,0,0,0|1,0,1]=3 549 B15R2.1385 CSCNC1CCc2c1ccc(c2)Cl 34a_100000743821_100011218213 [0,1,0,0,0,0|1,0,1]=3 550 B15R2.1385 CSCNC1COc2c1ccc(c2)Br 2230a_100020628175_100011218213 [0,1,0,0,0,0|2,0,1]=4 551 B15R2.1385 CSCN[C@@H]1CCc2c1ccc(c2)F 2230a_100025717273_100011218213 [0,1,0,0,0,0|1,0,1]=3 552 B15R2.1385 CSCN[C@@H]1CCc2c1ccc(c2)F 34a_100025717273_100011218213 [0,1,0,0,0,0|1,0,1]=3 553 B15R2.1385 CSCN[C@@H]1COc2c1ccc(c2)Cl 2230a_100138412546_100011218213 [0,1,0,0,0,0|2,0,1]=4 554 B15R2.1385 CSCN[C@H]1COc2c1ccc(c2)F 2230a_100102463760_100011218213 [0,1,0,0,0,0|2,0,1]=4 555 B15R2.1385 CSCN[C@H]1COc2c1ccc(c2)F 34a_100102463760_100011218213 [0,1,0,0,0,0|2,0,1]=4 556 B15R2.1385 CSCOC1CCc2c1ccc(c2)Br 34a_100000747877_100011218213 [0,1,0,0,0,0|2,0,1]=4 557 B15R2.1385 CSCOC1CCc2c1ccc(c2)C 34a_100000103036_100011218213 [0,1,0,0,0,0|2,0,1]=4 558 B15R2.1385 CSCOC1CCc2c1ccc(c2)Cl 34a_100012002497_100011218213 [0,1,0,0,0,0|2,0,1]=4 559 B15R2.1385 CSCOC1CCc2c1ccc(c2)F 34a_100012002498_100011218213 [0,1,0,0,0,0|2,0,1]=4 560 B15R2.1385 Cc1ccc2c(c1)CCC2NCC#N 2230a_200000746848_100011215382 [0,1,0,0,0,0|1,0,0]=2 561 B15R2.1385 Cc1ccc2c(c1)CCC2NCC=O 2230a_200000746848_200015260668 [0,1,0,0,0,0|1,0,1]=3 562 B15R2.1385 Cc1ccc2c(c1)CCC2NCC=O 34a_200000746848_200009817547 [0,1,0,0,0,0|1,0,1]=3 563 B15R2.1385 Cc1ccc2c(c1)CCC2NCCF 2230a_200000746848_100011217306 [0,1,0,0,0,0|1,0,1]=3 564 B15R2.1385 Cc1ccc2c(c1)CCC2NCCF 269862a_100000724931_100000743249 [0,1,0,0,0,0|1,0,1]=3 565 B15R2.1385 Cc1ccc2c(c1)CCC2NCCF 34a_200000746848_100011217306 [0,1,0,0,0,0|1,0,1]=3 566 B15R2.1385 Cc1ccc2c(c1)CCC2NCCO 2230a_200000746848_100000211926 [0,1,0,0,0,0|1,0,1]=3 567 B15R2.1385 Cc1ccc2c(c1)CCC2NCCO 269862a_100000210304_100000743249 [0,1,0,0,0,0|1,0,1]=3 568 B15R2.1385 Cc1ccc2c(c1)CCC2NCCO 34a_200000746848_100000211926 [0,1,0,0,0,0|1,0,1]=3 569 B15R2.1385 Cc1ccc2c(c1)CCC2OCC#N 7a_100000103036_100011215382 [0,1,0,0,0,0|2,0,0]=3 570 B15R2.1385 Cc1ccc2c(c1)CCC2OCC=O 34a_100000103036_200009817547 [0,1,0,0,0,0|2,0,1]=4 571 B15R2.1385 Cc1ccc2c(c1)CCC2OCC=O 7a_100000103036_200015260668 [0,1,0,0,0,0|2,0,1]=4 572 B15R2.1385 Cc1ccc2c(c1)CCC2OCCF 34a_100000103036_100011217306 [0,1,0,0,0,0|2,0,1]=4 573 B15R2.1385 Cc1ccc2c(c1)CCC2OCCF 7a_100000103036_100011217306 [0,1,0,0,0,0|2,0,1]=4 574 B15R2.1385 Cc1ccc2c(c1)CCC2OCCO 34a_100000103036_100000211926 [0,1,0,0,0,0|2,0,1]=4 575 B15R2.1385 Cc1ccc2c(c1)CCC2OCCO 7a_100000103036_100000211926 [0,1,0,0,0,0|2,0,1]=4 576 B15R2.1385 FCCNC1CCc2c1ccc(c2)Br 2230a_100000744021_100011217306 [0,1,0,0,0,0|1,0,1]=3 577 B15R2.1385 FCCNC1CCc2c1ccc(c2)Br 269862a_100000724931_100000737041 [0,1,0,0,0,0|1,0,1]=3 578 B15R2.1385 FCCNC1CCc2c1ccc(c2)Br 34a_100000744021_100011217306 [0,1,0,0,0,0|1,0,1]=3 579 B15R2.1385 FCCNC1CCc2c1ccc(c2)Cl 2230a_100000743821_100011217306 [0,1,0,0,0,0|1,0,1]=3 580 B15R2.1385 FCCNC1CCc2c1ccc(c2)Cl 269862a_100000724931_100000751102 [0,1,0,0,0,0|1,0,1]=3 581 B15R2.1385 FCCNC1CCc2c1ccc(c2)Cl 34a_100000743821_100011217306 [0,1,0,0,0,0|1,0,1]=3 582 B15R2.1385 FCCNC1CCc2c1ccc(c2)F 269862a_100000724931_100000035798 [0,1,0,0,0,0|1,0,1]=3 583 B15R2.1385 FCCNC1CCc2c1ccc(c2)I 269862a_100000724931_100000049573 [0,1,0,0,0,0|1,0,1]=3 584 B15R2.1385 FCCNC1COc2c1ccc(c2)Br 2230a_100020628175_100011217306 [0,1,0,0,0,0|2,0,1]=4 585 B15R2.1385 FCCN[C@@H]1CCc2c1ccc(c2)F 2230a_100025717273_100011217306 [0,1,0,0,0,0|1,0,1]=3 586 B15R2.1385 FCCN[C@@H]1CCc2c1ccc(c2)F 34a_100025717273_100011217306 [0,1,0,0,0,0|1,0,1]=3 587 B15R2.1385 FCCN[C@@H]1COc2c1ccc(c2)Cl 2230a_100138412546_100011217306 [0,1,0,0,0,0|2,0,1]=4 588 B15R2.1385 FCCN[C@H]1COc2c1ccc(c2)F 2230a_100102463760_100011217306 [0,1,0,0,0,0|2,0,1]=4 589 B15R2.1385 FCCN[C@H]1COc2c1ccc(c2)F 34a_100102463760_100011217306 [0,1,0,0,0,0|2,0,1]=4 590 B15R2.1385 FCCOC1CCc2c1ccc(c2)Br 34a_100000747877_100011217306 [0,1,0,0,0,0|2,0,1]=4 591 B15R2.1385 FCCOC1CCc2c1ccc(c2)Br 7a_100000747877_100011217306 [0,1,0,0,0,0|2,0,1]=4 592 B15R2.1385 FCCOC1CCc2c1ccc(c2)Cl 34a_100012002497_100011217306 [0,1,0,0,0,0|2,0,1]=4 593 B15R2.1385 FCCOC1CCc2c1ccc(c2)Cl 7a_100012002497_100011217306 [0,1,0,0,0,0|2,0,1]=4 594 B15R2.1385 FCCOC1CCc2c1ccc(c2)F 34a_100012002498_100011217306 [0,1,0,0,0,0|2,0,1]=4 595 B15R2.1385 FCCOC1CCc2c1ccc(c2)F 7a_100012002498_100011217306 [0,1,0,0,0,0|2,0,1]=4 596 B15R2.1385 N#CCNC1CCc2c1ccc(c2)Br 2230a_100000744021_100011215382 [0,1,0,0,0,0|1,0,0]=2 597 B15R2.1385 N#CCNC1CCc2c1ccc(c2)Cl 2230a_100000743821_100011215382 [0,1,0,0,0,0|1,0,0]=2 598 B15R2.1385 N#CCNC1COc2c1ccc(c2)Br 2230a_100020628175_100011215382 [0,1,0,0,0,0|2,0,0]=3 599 B15R2.1385 N#CCN[C@@H]1CCc2c1ccc(c2)F 2230a_100025717273_100011215382 [0,1,0,0,0,0|1,0,0]=2 600 B15R2.1385 N#CCN[C@@H]1COc2c1ccc(c2)Cl 2230a_100138412546_100011215382 [0,1,0,0,0,0|2,0,0]=3 601 B15R2.1385 N#CCN[C@H]1COc2c1ccc(c2)F 2230a_100102463760_100011215382 [0,1,0,0,0,0|2,0,0]=3 602 B15R2.1385 N#CCOC1CCc2c1ccc(c2)Br 7a_100000747877_100011215382 [0,1,0,0,0,0|2,0,0]=3 603 B15R2.1385 N#CCOC1CCc2c1ccc(c2)Cl 7a_100012002497_100011215382 [0,1,0,0,0,0|2,0,0]=3 604 B15R2.1385 N#CCOC1CCc2c1ccc(c2)F 7a_100012002498_100011215382 [0,1,0,0,0,0|2,0,0]=3 605 B15R2.1385 O=CCNC1CCc2c1ccc(c2)Br 2230a_100000744021_200015260668 [0,1,0,0,0,0|1,0,1]=3 606 B15R2.1385 O=CCNC1CCc2c1ccc(c2)Br 34a_100000744021_200009817547 [0,1,0,0,0,0|1,0,1]=3 607 B15R2.1385 O=CCNC1CCc2c1ccc(c2)Cl 2230a_100000743821_200015260668 [0,1,0,0,0,0|1,0,1]=3 608 B15R2.1385 O=CCNC1CCc2c1ccc(c2)Cl 34a_100000743821_200009817547 [0,1,0,0,0,0|1,0,1]=3 609 B15R2.1385 O=CCNC1COc2c1ccc(c2)Br 2230a_100020628175_200015260668 [0,1,0,0,0,0|2,0,1]=4 610 B15R2.1385 O=CCN[C@@H]1CCc2c1ccc(c2)F 2230a_100025717273_200015260668 [0,1,0,0,0,0|1,0,1]=3 611 B15R2.1385 O=CCN[C@@H]1CCc2c1ccc(c2)F 34a_100025717273_200009817547 [0,1,0,0,0,0|1,0,1]=3 612 B15R2.1385 O=CCN[C@@H]1COc2c1ccc(c2)Cl 2230a_100138412546_200015260668 [0,1,0,0,0,0|2,0,1]=4 613 B15R2.1385 O=CCN[C@H]1COc2c1ccc(c2)F 2230a_100102463760_200015260668 [0,1,0,0,0,0|2,0,1]=4 614 B15R2.1385 O=CCN[C@H]1COc2c1ccc(c2)F 34a_100102463760_200009817547 [0,1,0,0,0,0|2,0,1]=4 615 B15R2.1385 O=CCOC1CCc2c1ccc(c2)Br 34a_100000747877_200009817547 [0,1,0,0,0,0|2,0,1]=4 616 B15R2.1385 O=CCOC1CCc2c1ccc(c2)Br 7a_100000747877_200015260668 [0,1,0,0,0,0|2,0,1]=4 617 B15R2.1385 O=CCOC1CCc2c1ccc(c2)Cl 34a_100012002497_200009817547 [0,1,0,0,0,0|2,0,1]=4 618 B15R2.1385 O=CCOC1CCc2c1ccc(c2)Cl 7a_100012002497_200015260668 [0,1,0,0,0,0|2,0,1]=4 619 B15R2.1385 O=CCOC1CCc2c1ccc(c2)F 34a_100012002498_200009817547 [0,1,0,0,0,0|2,0,1]=4 620 B15R2.1385 O=CCOC1CCc2c1ccc(c2)F 7a_100012002498_200015260668 [0,1,0,0,0,0|2,0,1]=4 621 B15R2.1385 OCCNC1CCc2c1ccc(c2)Br 2230a_100000744021_100000211926 [0,1,0,0,0,0|1,0,1]=3 622 B15R2.1385 OCCNC1CCc2c1ccc(c2)Br 269862a_100000210304_100000737041 [0,1,0,0,0,0|1,0,1]=3 623 B15R2.1385 OCCNC1CCc2c1ccc(c2)Br 34a_100000744021_100000211926 [0,1,0,0,0,0|1,0,1]=3 624 B15R2.1385 OCCNC1CCc2c1ccc(c2)Cl 2230a_100000743821_100000211926 [0,1,0,0,0,0|1,0,1]=3 625 B15R2.1385 OCCNC1CCc2c1ccc(c2)Cl 269862a_100000210304_100000751102 [0,1,0,0,0,0|1,0,1]=3 626 B15R2.1385 OCCNC1CCc2c1ccc(c2)Cl 34a_100000743821_100000211926 [0,1,0,0,0,0|1,0,1]=3 627 B15R2.1385 OCCNC1CCc2c1ccc(c2)F 269862a_100000210304_100000035798 [0,1,0,0,0,0|1,0,1]=3 628 B15R2.1385 OCCNC1CCc2c1ccc(c2)I 269862a_100000210304_100000049573 [0,1,0,0,0,0|1,0,1]=3 629 B15R2.1385 OCCNC1COc2c1ccc(c2)Br 2230a_100020628175_100000211926 [0,1,0,0,0,0|2,0,1]=4 630 B15R2.1385 OCCN[C@@H]1CCc2c1ccc(c2)F 2230a_100025717273_100000211926 [0,1,0,0,0,0|1,0,1]=3 631 B15R2.1385 OCCN[C@@H]1CCc2c1ccc(c2)F 34a_100025717273_100000211926 [0,1,0,0,0,0|1,0,1]=3 632 B15R2.1385 OCCN[C@@H]1COc2c1ccc(c2)Cl 2230a_100138412546_100000211926 [0,1,0,0,0,0|2,0,1]=4 633 B15R2.1385 OCCN[C@H]1COc2c1ccc(c2)F 2230a_100102463760_100000211926 [0,1,0,0,0,0|2,0,1]=4 634 B15R2.1385 OCCN[C@H]1COc2c1ccc(c2)F 34a_100102463760_100000211926 [0,1,0,0,0,0|2,0,1]=4 635 B15R2.1385 OCCOC1CCc2c1ccc(c2)Br 34a_100000747877_100000211926 [0,1,0,0,0,0|2,0,1]=4 636 B15R2.1385 OCCOC1CCc2c1ccc(c2)Br 7a_100000747877_100000211926 [0,1,0,0,0,0|2,0,1]=4 637 B15R2.1385 OCCOC1CCc2c1ccc(c2)Cl 34a_100012002497_100000211926 [0,1,0,0,0,0|2,0,1]=4 638 B15R2.1385 OCCOC1CCc2c1ccc(c2)Cl 7a_100012002497_100000211926 [0,1,0,0,0,0|2,0,1]=4 639 B15R2.1385 OCCOC1CCc2c1ccc(c2)F 34a_100012002498_100000211926 [0,1,0,0,0,0|2,0,1]=4 640 B15R2.1385 OCCOC1CCc2c1ccc(c2)F 7a_100012002498_100000211926 [0,1,0,0,0,0|2,0,1]=4 641 B15R2.1428 C#CCSC1CC(=O)c2c1cccc2 62a_100000038162_100010208147 [0,1,0,0,0,0|1,0,1]=3 642 B15R2.1428 C#CCSC1OC(=O)c2c1cccc2 62a_100000038162_100009813457 [0,1,0,0,0,0|2,0,1]=4 643 B15R2.1428 C=CCNC1CC(=O)c2c1cccc2 2230a_100020586998_100010208147 [0,1,0,0,0,0|0,0,3]=4 644 B15R2.1428 CC1CC(c2c1cccc2)NCCF 269862a_100000724931_100000750356 [0,1,0,0,0,0|1,0,1]=3 645 B15R2.1428 CC1CC(c2c1cccc2)NCCO 269862a_100000210304_100000750356 [0,1,0,0,0,0|1,0,1]=3 646 B15R2.1428 CCCNC1CC(c2c1cccc2)C 269862a_100020643023_100000750356 [0,1,0,0,0,0|0,0,2]=3 647 B15R2.1428 N#CCSC1CC(=O)c2c1cccc2 62a_100010208147_100011215382 [0,1,0,0,0,0|2,0,1]=4 648 B15R2.1428 N#CCSC1CC(=O)c2c1cccc2 62a_100011215382_100010208147 [0,1,0,0,0,0|2,0,1]=4 649 B15R2.1428 O=C1CC(c2c1cccc2)NCCO 2230a_100016997473_100010208147 [0,1,0,0,0,0|1,0,2]=4 650 B15R2.1435 C#CCN[C@H]1c2ccccc2C[C@H]1O 2230a_100000744645_100000038162 [0,1,0,0,0,0|0,0,0]=1 651 B15R2.1435 C#CCSC1C(=O)Nc2c1cccc2 62a_100000038162_200009996675 [0,1,0,0,0,0|2,0,1]=4 652 B15R2.1435 C=CCN[C@H]1c2ccccc2C[C@H]1O 2230a_100000744645_100000210623 [0,1,0,0,0,0|0,0,2]=3 653 B15R2.1435 CCCN[C@H]1c2ccccc2C[C@H]1O 2230a_100000744645_100000210303 [0,1,0,0,0,0|0,0,2]=3 654 B15R2.1435 COCN[C@H]1c2ccccc2C[C@H]1O 2230a_100000744645_100000766300 [0,1,0,0,0,0|1,0,1]=3 655 B15R2.1435 CSCN[C@H]1c2ccccc2C[C@H]1O 2230a_100000744645_100011218213 [0,1,0,0,0,0|1,0,1]=3 656 B15R2.1435 N#CCN[C@H]1c2ccccc2C[C@H]1O 2230a_100000744645_100011215382 [0,1,0,0,0,0|1,0,0]=2 657 B15R2.1435 O=CCN[C@H]1c2ccccc2C[C@H]1O 2230a_100000744645_200015260668 [0,1,0,0,0,0|1,0,1]=3 658 B15R2.1435 OCCN[C@H]1c2ccccc2C[C@H]1O 2230a_100000744645_100000211926 [0,1,0,0,0,0|1,0,1]=3 659 B15R2.1435 O[C@@H]1Cc2ccccc2[C@@H]1NCCF 2230a_100000744645_100011217306 [0,1,0,0,0,0|1,0,1]=3 660 B15R2.17667 C#CCNC1CCc2c1c(ccc2)Br 2230a_100103168669_100000038162 [0,1,0,0,0,0|0,0,0]=1 661 B15R2.17667 C#CCNC1CCc2c1c(ccc2)Br 34a_100103168669_100000184674 [0,1,0,0,0,0|0,0,0]=1 662 B15R2.17667 C#CCN[C@@H]1COc2c1c(ccc2)F 2230a_200015272058_100000038162 [0,1,0,0,0,0|1,0,0]=2 663 B15R2.17667 C#CCN[C@@H]1COc2c1c(ccc2)F 34a_200015272058_100000184674 [0,1,0,0,0,0|1,0,0]=2 664 B15R2.17667 C#CCOC1CSc2c1c(ccc2)Br 7a_200010991195_100000038162 [0,1,0,0,0,0|2,0,0]=3 665 B15R2.17667 C=CCNC1CCc2c1c(ccc2)Br 2230a_100103168669_100000210623 [0,1,0,0,0,0|0,0,2]=3 666 B15R2.17667 C=CCNC1CCc2c1c(ccc2)Br 34a_100103168669_100015514636 [0,1,0,0,0,0|0,0,2]=3 667 B15R2.17667 C=CCN[C@@H]1COc2c1c(ccc2)F 2230a_200015272058_100000210623 [0,1,0,0,0,0|1,0,2]=4 668 B15R2.17667 C=CCN[C@@H]1COc2c1c(ccc2)F 34a_200015272058_100015514636 [0,1,0,0,0,0|1,0,2]=4 669 B15R2.17667 CCCNC1CCc2c1c(ccc2)Br 2230a_100103168669_100000210303 [0,1,0,0,0,0|0,0,2]=3 670 B15R2.17667 CCCNC1CCc2c1c(ccc2)Br 34a_100103168669_100000210303 [0,1,0,0,0,0|0,0,2]=3 671 B15R2.17667 CCCN[C@@H]1COc2c1c(ccc2)F 2230a_200015272058_100000210303 [0,1,0,0,0,0|1,0,2]=4 672 B15R2.17667 CCCN[C@@H]1COc2c1c(ccc2)F 34a_200015272058_100000210303 [0,1,0,0,0,0|1,0,2]=4 673 B15R2.17667 COCNC1CCc2c1c(ccc2)Br 2230a_100103168669_100000766300 [0,1,0,0,0,0|1,0,1]=3 674 B15R2.17667 COCN[C@@H]1COc2c1c(ccc2)F 2230a_200015272058_100000766300 [0,1,0,0,0,0|2,0,1]=4 675 B15R2.17667 CSCNC1CCc2c1c(ccc2)Br 2230a_100103168669_100011218213 [0,1,0,0,0,0|1,0,1]=3 676 B15R2.17667 CSCNC1CCc2c1c(ccc2)Br 34a_100103168669_100011218213 [0,1,0,0,0,0|1,0,1]=3 677 B15R2.17667 CSCN[C@@H]1COc2c1c(ccc2)F 2230a_200015272058_100011218213 [0,1,0,0,0,0|2,0,1]=4 678 B15R2.17667 CSCN[C@@H]1COc2c1c(ccc2)F 34a_200015272058_100011218213 [0,1,0,0,0,0|2,0,1]=4 679 B15R2.17667 FCCNC1CCc2c1c(ccc2)Br 2230a_100103168669_100011217306 [0,1,0,0,0,0|1,0,1]=3 680 B15R2.17667 FCCNC1CCc2c1c(ccc2)Br 34a_100103168669_100011217306 [0,1,0,0,0,0|1,0,1]=3 681 B15R2.17667 FCCN[C@@H]1COc2c1c(ccc2)F 2230a_200015272058_100011217306 [0,1,0,0,0,0|2,0,1]=4 682 B15R2.17667 FCCN[C@@H]1COc2c1c(ccc2)F 34a_200015272058_100011217306 [0,1,0,0,0,0|2,0,1]=4 683 B15R2.17667 N#CCNC1CCc2c1c(ccc2)Br 2230a_100103168669_100011215382 [0,1,0,0,0,0|1,0,0]=2 684 B15R2.17667 N#CCN[C@@H]1COc2c1c(ccc2)F 2230a_200015272058_100011215382 [0,1,0,0,0,0|2,0,0]=3 685 B15R2.17667 N#CCOC1CSc2c1c(ccc2)Br 7a_200010991195_100011215382 [0,1,0,0,0,0|3,0,0]=4 686 B15R2.17667 O=CCNC1CCc2c1c(ccc2)Br 2230a_100103168669_200015260668 [0,1,0,0,0,0|1,0,1]=3 687 B15R2.17667 O=CCNC1CCc2c1c(ccc2)Br 34a_100103168669_200009817547 [0,1,0,0,0,0|1,0,1]=3 688 B15R2.17667 O=CCN[C@@H]1COc2c1c(ccc2)F 2230a_200015272058_200015260668 [0,1,0,0,0,0|2,0,1]=4 689 B15R2.17667 O=CCN[C@@H]1COc2c1c(ccc2)F 34a_200015272058_200009817547 [0,1,0,0,0,0|2,0,1]=4 690 B15R2.17667 OCCNC1CCc2c1c(ccc2)Br 2230a_100103168669_100000211926 [0,1,0,0,0,0|1,0,1]=3 691 B15R2.17667 OCCNC1CCc2c1c(ccc2)Br 34a_100103168669_100000211926 [0,1,0,0,0,0|1,0,1]=3 692 B15R2.17667 OCCN[C@@H]1COc2c1c(ccc2)F 2230a_200015272058_100000211926 [0,1,0,0,0,0|2,0,1]=4 693 B15R2.17667 OCCN[C@@H]1COc2c1c(ccc2)F 34a_200015272058_100000211926 [0,1,0,0,0,0|2,0,1]=4 694 B15R2.17719 C#CCNC1CCc2c1cc(cc2)Br 2230a_100011435097_100000038162 [0,1,0,0,0,0|0,0,0]=1 695 B15R2.17719 C#CCNC1CCc2c1cc(cc2)Br 34a_100011435097_100000184674 [0,1,0,0,0,0|0,0,0]=1 696 B15R2.17719 C#CCNC1CCc2c1cc(cc2)Cl 2230a_100016987686_100000038162 [0,1,0,0,0,0|0,0,0]=1 697 B15R2.17719 C#CCNC1CCc2c1cc(cc2)Cl 34a_100016987686_100000184674 [0,1,0,0,0,0|0,0,0]=1 698 B15R2.17719 C#CCNC1CCc2c1cc(cc2)F 2230a_100000752734_100000038162 [0,1,0,0,0,0|0,0,0]=1 699 B15R2.17719 C#CCNC1CCc2c1cc(cc2)F 34a_100000752734_100000184674 [0,1,0,0,0,0|0,0,0]=1 700 B15R2.17719 C#CCNC1COc2c1cc(cc2)Cl 2230a_100000705955_100000038162 [0,1,0,0,0,0|1,0,0]=2 701 B15R2.17719 C#CCN[C@@H]1COc2c1cc(cc2)F 2230a_100161114692_100000038162 [0,1,0,0,0,0|1,0,0]=2 702 B15R2.17719 C#CCN[C@@H]1COc2c1cc(cc2)F 34a_100161114692_100000184674 [0,1,0,0,0,0|1,0,0]=2 703 B15R2.17719 C#CCOC1CCc2c1cc(cc2)Br 34a_100011836024_100000184674 [0,1,0,0,0,0|1,0,0]=2 704 B15R2.17719 C#CCOC1CCc2c1cc(cc2)Br 7a_100011836024_100000038162 [0,1,0,0,0,0|1,0,0]=2 705 B15R2.17719 C=CCNC1CCc2c1cc(cc2)Br 2230a_100011435097_100000210623 [0,1,0,0,0,0|0,0,2]=3 706 B15R2.17719 C=CCNC1CCc2c1cc(cc2)Br 34a_100011435097_100015514636 [0,1,0,0,0,0|0,0,2]=3 707 B15R2.17719 C=CCNC1CCc2c1cc(cc2)Cl 2230a_100016987686_100000210623 [0,1,0,0,0,0|0,0,2]=3 708 B15R2.17719 C=CCNC1CCc2c1cc(cc2)Cl 34a_100016987686_100015514636 [0,1,0,0,0,0|0,0,2]=3 709 B15R2.17719 C=CCNC1CCc2c1cc(cc2)F 2230a_100000752734_100000210623 [0,1,0,0,0,0|0,0,2]=3 710 B15R2.17719 C=CCNC1CCc2c1cc(cc2)F 34a_100000752734_100015514636 [0,1,0,0,0,0|0,0,2]=3 711 B15R2.17719 C=CCNC1COc2c1cc(cc2)Cl 2230a_100000705955_100000210623 [0,1,0,0,0,0|1,0,2]=4 712 B15R2.17719 C=CCN[C@@H]1COc2c1cc(cc2)F 2230a_100161114692_100000210623 [0,1,0,0,0,0|1,0,2]=4 713 B15R2.17719 C=CCN[C@@H]1COc2c1cc(cc2)F 34a_100161114692_100015514636 [0,1,0,0,0,0|1,0,2]=4 714 B15R2.17719 C=CCOC1CCc2c1cc(cc2)Br 34a_100011836024_100015514636 [0,1,0,0,0,0|1,0,2]=4 715 B15R2.17719 C=CCOC1CCc2c1cc(cc2)Br 7a_100011836024_100015514636 [0,1,0,0,0,0|1,0,2]=4 716 B15R2.17719 CCCNC1CCc2c1cc(cc2)Br 2230a_100011435097_100000210303 [0,1,0,0,0,0|0,0,2]=3 717 B15R2.17719 CCCNC1CCc2c1cc(cc2)Br 269862a_100020643023_100000759401 [0,1,0,0,0,0|0,0,2]=3 718 B15R2.17719 CCCNC1CCc2c1cc(cc2)Br 34a_100011435097_100000210303 [0,1,0,0,0,0|0,0,2]=3 719 B15R2.17719 CCCNC1CCc2c1cc(cc2)C 269862a_100020643023_100000753597 [0,1,0,0,0,0|0,0,2]=3 720 B15R2.17719 CCCNC1CCc2c1cc(cc2)Cl 2230a_100016987686_100000210303 [0,1,0,0,0,0|0,0,2]=3 721 B15R2.17719 CCCNC1CCc2c1cc(cc2)Cl 269862a_100020643023_100000759629 [0,1,0,0,0,0|0,0,2]=3 722 B15R2.17719 CCCNC1CCc2c1cc(cc2)Cl 34a_100016987686_100000210303 [0,1,0,0,0,0|0,0,2]=3 723 B15R2.17719 CCCNC1CCc2c1cc(cc2)F 2230a_100000752734_100000210303 [0,1,0,0,0,0|0,0,2]=3 724 B15R2.17719 CCCNC1CCc2c1cc(cc2)F 269862a_100020643023_100000759630 [0,1,0,0,0,0|0,0,2]=3 725 B15R2.17719 CCCNC1CCc2c1cc(cc2)F 34a_100000752734_100000210303 [0,1,0,0,0,0|0,0,2]=3 726 B15R2.17719 CCCNC1CCc2c1cc(cc2)I 269862a_100020643023_100011356848 [0,1,0,0,0,0|0,0,2]=3 727 B15R2.17719 CCCNC1CCc2c1cc(cn2)Br 269862a_100020643023_100010174022 [0,1,0,0,0,0|1,0,2]=4 728 B15R2.17719 CCCNC1COc2c1cc(cc2)Cl 2230a_100000705955_100000210303 [0,1,0,0,0,0|1,0,2]=4 729 B15R2.17719 CCCN[C@@H]1COc2c1cc(cc2)F 2230a_100161114692_100000210303 [0,1,0,0,0,0|1,0,2]=4 730 B15R2.17719 CCCN[C@@H]1COc2c1cc(cc2)F 34a_100161114692_100000210303 [0,1,0,0,0,0|1,0,2]=4 731 B15R2.17719 CCCOC1CCc2c1cc(cc2)Br 34a_100011836024_100000210303 [0,1,0,0,0,0|1,0,2]=4 732 B15R2.17719 CCCOC1CCc2c1cc(cc2)Br 7a_100011836024_100000210303 [0,1,0,0,0,0|1,0,2]=4 733 B15R2.17719 COCNC1CCc2c1cc(cc2)Br 2230a_100011435097_100000766300 [0,1,0,0,0,0|1,0,1]=3 734 B15R2.17719 COCNC1CCc2c1cc(cc2)Cl 2230a_100016987686_100000766300 [0,1,0,0,0,0|1,0,1]=3 735 B15R2.17719 COCNC1CCc2c1cc(cc2)F 2230a_100000752734_100000766300 [0,1,0,0,0,0|1,0,1]=3 736 B15R2.17719 COCNC1COc2c1cc(cc2)Cl 2230a_100000705955_100000766300 [0,1,0,0,0,0|2,0,1]=4 737 B15R2.17719 COCN[C@@H]1COc2c1cc(cc2)F 2230a_100161114692_100000766300 [0,1,0,0,0,0|2,0,1]=4 738 B15R2.17719 CSCNC1CCc2c1cc(cc2)Br 2230a_100011435097_100011218213 [0,1,0,0,0,0|1,0,1]=3 739 B15R2.17719 CSCNC1CCc2c1cc(cc2)Br 34a_100011435097_100011218213 [0,1,0,0,0,0|1,0,1]=3 740 B15R2.17719 CSCNC1CCc2c1cc(cc2)Cl 2230a_100016987686_100011218213 [0,1,0,0,0,0|1,0,1]=3 741 B15R2.17719 CSCNC1CCc2c1cc(cc2)Cl 34a_100016987686_100011218213 [0,1,0,0,0,0|1,0,1]=3 742 B15R2.17719 CSCNC1CCc2c1cc(cc2)F 2230a_100000752734_100011218213 [0,1,0,0,0,0|1,0,1]=3 743 B15R2.17719 CSCNC1CCc2c1cc(cc2)F 34a_100000752734_100011218213 [0,1,0,0,0,0|1,0,1]=3 744 B15R2.17719 CSCNC1COc2c1cc(cc2)Cl 2230a_100000705955_100011218213 [0,1,0,0,0,0|2,0,1]=4 745 B15R2.17719 CSCN[C@@H]1COc2c1cc(cc2)F 2230a_100161114692_100011218213 [0,1,0,0,0,0|2,0,1]=4 746 B15R2.17719 CSCN[C@@H]1COc2c1cc(cc2)F 34a_100161114692_100011218213 [0,1,0,0,0,0|2,0,1]=4 747 B15R2.17719 CSCOC1CCc2c1cc(cc2)Br 34a_100011836024_100011218213 [0,1,0,0,0,0|2,0,1]=4 748 B15R2.17719 Cc1ccc2c(c1)C(CC2)NCCF 269862a_100000724931_100000753597 [0,1,0,0,0,0|1,0,1]=3 749 B15R2.17719 Cc1ccc2c(c1)C(CC2)NCCO 269862a_100000210304_100000753597 [0,1,0,0,0,0|1,0,1]=3 750 B15R2.17719 FCCNC1CCc2c1cc(cc2)Br 2230a_100011435097_100011217306 [0,1,0,0,0,0|1,0,1]=3 751 B15R2.17719 FCCNC1CCc2c1cc(cc2)Br 269862a_100000724931_100000759401 [0,1,0,0,0,0|1,0,1]=3 752 B15R2.17719 FCCNC1CCc2c1cc(cc2)Br 34a_100011435097_100011217306 [0,1,0,0,0,0|1,0,1]=3 753 B15R2.17719 FCCNC1CCc2c1cc(cc2)Cl 2230a_100016987686_100011217306 [0,1,0,0,0,0|1,0,1]=3 754 B15R2.17719 FCCNC1CCc2c1cc(cc2)Cl 269862a_100000724931_100000759629 [0,1,0,0,0,0|1,0,1]=3 755 B15R2.17719 FCCNC1CCc2c1cc(cc2)Cl 34a_100016987686_100011217306 [0,1,0,0,0,0|1,0,1]=3 756 B15R2.17719 FCCNC1CCc2c1cc(cc2)F 2230a_100000752734_100011217306 [0,1,0,0,0,0|1,0,1]=3 757 B15R2.17719 FCCNC1CCc2c1cc(cc2)F 269862a_100000724931_100000759630 [0,1,0,0,0,0|1,0,1]=3 758 B15R2.17719 FCCNC1CCc2c1cc(cc2)F 34a_100000752734_100011217306 [0,1,0,0,0,0|1,0,1]=3 759 B15R2.17719 FCCNC1CCc2c1cc(cc2)I 269862a_100000724931_100011356848 [0,1,0,0,0,0|1,0,1]=3 760 B15R2.17719 FCCNC1CCc2c1cc(cn2)Br 269862a_100000724931_100010174022 [0,1,0,0,0,0|2,0,1]=4 761 B15R2.17719 FCCNC1COc2c1cc(cc2)Cl 2230a_100000705955_100011217306 [0,1,0,0,0,0|2,0,1]=4 762 B15R2.17719 FCCN[C@@H]1COc2c1cc(cc2)F 2230a_100161114692_100011217306 [0,1,0,0,0,0|2,0,1]=4 763 B15R2.17719 FCCN[C@@H]1COc2c1cc(cc2)F 34a_100161114692_100011217306 [0,1,0,0,0,0|2,0,1]=4 764 B15R2.17719 FCCOC1CCc2c1cc(cc2)Br 34a_100011836024_100011217306 [0,1,0,0,0,0|2,0,1]=4 765 B15R2.17719 FCCOC1CCc2c1cc(cc2)Br 7a_100011836024_100011217306 [0,1,0,0,0,0|2,0,1]=4 766 B15R2.17719 N#CCNC1CCc2c1cc(cc2)Br 2230a_100011435097_100011215382 [0,1,0,0,0,0|1,0,0]=2 767 B15R2.17719 N#CCNC1CCc2c1cc(cc2)Cl 2230a_100016987686_100011215382 [0,1,0,0,0,0|1,0,0]=2 768 B15R2.17719 N#CCNC1CCc2c1cc(cc2)F 2230a_100000752734_100011215382 [0,1,0,0,0,0|1,0,0]=2 769 B15R2.17719 N#CCNC1COc2c1cc(cc2)Cl 2230a_100000705955_100011215382 [0,1,0,0,0,0|2,0,0]=3 770 B15R2.17719 N#CCN[C@@H]1COc2c1cc(cc2)F 2230a_100161114692_100011215382 [0,1,0,0,0,0|2,0,0]=3 771 B15R2.17719 N#CCOC1CCc2c1cc(cc2)Br 7a_100011836024_100011215382 [0,1,0,0,0,0|2,0,0]=3 772 B15R2.17719 O=CCNC1CCc2c1cc(cc2)Br 2230a_100011435097_200015260668 [0,1,0,0,0,0|1,0,1]=3 773 B15R2.17719 O=CCNC1CCc2c1cc(cc2)Br 34a_100011435097_200009817547 [0,1,0,0,0,0|1,0,1]=3 774 B15R2.17719 O=CCNC1CCc2c1cc(cc2)Cl 2230a_100016987686_200015260668 [0,1,0,0,0,0|1,0,1]=3 775 B15R2.17719 O=CCNC1CCc2c1cc(cc2)Cl 34a_100016987686_200009817547 [0,1,0,0,0,0|1,0,1]=3 776 B15R2.17719 O=CCNC1CCc2c1cc(cc2)F 2230a_100000752734_200015260668 [0,1,0,0,0,0|1,0,1]=3 777 B15R2.17719 O=CCNC1CCc2c1cc(cc2)F 34a_100000752734_200009817547 [0,1,0,0,0,0|1,0,1]=3 778 B15R2.17719 O=CCNC1COc2c1cc(cc2)Cl 2230a_100000705955_200015260668 [0,1,0,0,0,0|2,0,1]=4 779 B15R2.17719 O=CCN[C@@H]1COc2c1cc(cc2)F 2230a_100161114692_200015260668 [0,1,0,0,0,0|2,0,1]=4 780 B15R2.17719 O=CCN[C@@H]1COc2c1cc(cc2)F 34a_100161114692_200009817547 [0,1,0,0,0,0|2,0,1]=4 781 B15R2.17719 O=CCOC1CCc2c1cc(cc2)Br 34a_100011836024_200009817547 [0,1,0,0,0,0|2,0,1]=4 782 B15R2.17719 O=CCOC1CCc2c1cc(cc2)Br 7a_100011836024_200015260668 [0,1,0,0,0,0|2,0,1]=4 783 B15R2.17719 OCCNC1CCc2c1cc(cc2)Br 2230a_100011435097_100000211926 [0,1,0,0,0,0|1,0,1]=3 784 B15R2.17719 OCCNC1CCc2c1cc(cc2)Br 269862a_100000210304_100000759401 [0,1,0,0,0,0|1,0,1]=3 785 B15R2.17719 OCCNC1CCc2c1cc(cc2)Br 34a_100011435097_100000211926 [0,1,0,0,0,0|1,0,1]=3 786 B15R2.17719 OCCNC1CCc2c1cc(cc2)Cl 2230a_100016987686_100000211926 [0,1,0,0,0,0|1,0,1]=3 787 B15R2.17719 OCCNC1CCc2c1cc(cc2)Cl 269862a_100000210304_100000759629 [0,1,0,0,0,0|1,0,1]=3 788 B15R2.17719 OCCNC1CCc2c1cc(cc2)Cl 34a_100016987686_100000211926 [0,1,0,0,0,0|1,0,1]=3 789 B15R2.17719 OCCNC1CCc2c1cc(cc2)F 2230a_100000752734_100000211926 [0,1,0,0,0,0|1,0,1]=3 790 B15R2.17719 OCCNC1CCc2c1cc(cc2)F 269862a_100000210304_100000759630 [0,1,0,0,0,0|1,0,1]=3 791 B15R2.17719 OCCNC1CCc2c1cc(cc2)F 34a_100000752734_100000211926 [0,1,0,0,0,0|1,0,1]=3 792 B15R2.17719 OCCNC1CCc2c1cc(cc2)I 269862a_100000210304_100011356848 [0,1,0,0,0,0|1,0,1]=3 793 B15R2.17719 OCCNC1CCc2c1cc(cn2)Br 269862a_100000210304_100010174022 [0,1,0,0,0,0|2,0,1]=4 794 B15R2.17719 OCCNC1COc2c1cc(cc2)Cl 2230a_100000705955_100000211926 [0,1,0,0,0,0|2,0,1]=4 795 B15R2.17719 OCCN[C@@H]1COc2c1cc(cc2)F 2230a_100161114692_100000211926 [0,1,0,0,0,0|2,0,1]=4 796 B15R2.17719 OCCN[C@@H]1COc2c1cc(cc2)F 34a_100161114692_100000211926 [0,1,0,0,0,0|2,0,1]=4 797 B15R2.17719 OCCOC1CCc2c1cc(cc2)Br 34a_100011836024_100000211926 [0,1,0,0,0,0|2,0,1]=4 798 B15R2.17719 OCCOC1CCc2c1cc(cc2)Br 7a_100011836024_100000211926 [0,1,0,0,0,0|2,0,1]=4 799 B15R2.19653 C#CCOC1(CCc2c1cccc2)C 34a_100000685031_100000184674 [0,1,0,0,0,0|1,0,0]=2 800 B15R2.19653 C#CCOC1(CCc2c1cccc2)C 7a_100000685031_100000038162 [0,1,0,0,0,0|1,0,0]=2 801 B15R2.19653 C=CCOC1(CCc2c1cccc2)C 34a_100000685031_100015514636 [0,1,0,0,0,0|1,0,2]=4 802 B15R2.19653 C=CCOC1(CCc2c1cccc2)C 7a_100000685031_100015514636 [0,1,0,0,0,0|1,0,2]=4 803 B15R2.19653 CC1(CCc2c1cccc2)OCC#N 7a_100000685031_100011215382 [0,1,0,0,0,0|2,0,0]=3 804 B15R2.19653 CC1(CCc2c1cccc2)OCC=O 34a_100000685031_200009817547 [0,1,0,0,0,0|2,0,1]=4 805 B15R2.19653 CC1(CCc2c1cccc2)OCC=O 7a_100000685031_200015260668 [0,1,0,0,0,0|2,0,1]=4 806 B15R2.19653 CC1(CCc2c1cccc2)OCCF 34a_100000685031_100011217306 [0,1,0,0,0,0|2,0,1]=4 807 B15R2.19653 CC1(CCc2c1cccc2)OCCF 7a_100000685031_100011217306 [0,1,0,0,0,0|2,0,1]=4 808 B15R2.19653 CC1(CCc2c1cccc2)OCCO 34a_100000685031_100000211926 [0,1,0,0,0,0|2,0,1]=4 809 B15R2.19653 CC1(CCc2c1cccc2)OCCO 7a_100000685031_100000211926 [0,1,0,0,0,0|2,0,1]=4 810 B15R2.19653 CCCOC1(CCc2c1cccc2)C 34a_100000685031_100000210303 [0,1,0,0,0,0|1,0,2]=4 811 B15R2.19653 CCCOC1(CCc2c1cccc2)C 7a_100000685031_100000210303 [0,1,0,0,0,0|1,0,2]=4 812 B15R2.19653 CSCOC1(CCc2c1cccc2)C 34a_100000685031_100011218213 [0,1,0,0,0,0|2,0,1]=4 813 B13R1.26 C#CCCN(CC)c1ccccc1 2230a_100000210013_100000688953 [0,0,1,0,0,0|2,0,0]=3 814 B13R1.26 C#CCCN(CC)c1ccccc1 269982a_100000210013_100000730999 [0,0,1,0,0,0|2,0,0]=3 815 B13R1.26 C#CCCN(CC)c1ccccc1 34a_100000210013_100000688953 [0,0,1,0,0,0|2,0,0]=3 816 B13R1.26 C#CCNC(CC)c1ccccc1 2230a_100000737752_100000038162 [0,0,1,0,0,0|0,0,0]=1 817 B13R1.26 C#CCNC(CC)c1ccccn1 2230a_100015186561_100000038162 [0,0,1,0,0,0|1,0,0]=2 818 B13R1.26 C#CCNC(CC)c1cccnc1 2230a_100000246009_100000038162 [0,0,1,0,0,0|1,0,0]=2 819 B13R1.26 C#CCNC(CC)c1cnccn1 2230a_200016994365_100000038162 [0,0,1,0,0,0|2,0,0]=3 820 B13R1.26 C#CCNC(CO)c1ccccn1 2230a_100015196888_100000038162 [0,0,1,0,0,0|2,0,0]=3 821 B13R1.26 C#CCN[C@H](CO)c1ccccc1 2230a_100000751927_100000038162 [0,0,1,0,0,0|1,0,0]=2 822 B13R1.26 C#CCN[C@H](CO)c1ccccc1 34a_100000751927_100000184674 [0,0,1,0,0,0|1,0,0]=2 823 B13R1.26 C#CCN[C@H](CO)c1ccncc1 2230a_100138412524_100000038162 [0,0,1,0,0,0|2,0,0]=3 824 B13R1.26 C#CCOC(C#C)c1ccccc1 34a_100011219616_100000184674 [0,0,1,0,0,0|1,0,2]=4 825 B13R1.26 C#CCOC(C#C)c1ccccc1 7a_100011219616_100000038162 [0,0,1,0,0,0|1,0,2]=4 826 B13R1.26 C#CCOC(C#N)c1ccccc1 7a_100011217353_100000038162 [0,0,1,0,0,0|2,0,1]=4 827 B13R1.26 C#CCOC(C=C)c1ccccc1 34a_100011215659_100000184674 [0,0,1,0,0,0|1,0,2]=4 828 B13R1.26 C#CCOC(C=C)c1ccccc1 7a_100011215659_100000038162 [0,0,1,0,0,0|1,0,2]=4 829 B13R1.26 C#CCOC(CBr)c1ccccc1 7a_100000185958_100000038162 [0,0,1,0,0,0|2,0,0]=3 830 B13R1.26 C#CCOC(CC)c1ccccc1 34a_100000698172_100000184674 [0,0,1,0,0,0|1,0,0]=2 831 B13R1.26 C#CCOC(CC)c1ccccc1 7a_100000698172_100000038162 [0,0,1,0,0,0|1,0,0]=2 832 B13R1.26 C#CCOC(CN)c1ccccc1 34a_100000210709_100000184674 [0,0,1,0,0,0|2,0,0]=3 833 B13R1.26 C#CCO[C@H](CCl)c1ccccc1 34a_100011933945_100000184674 [0,0,1,0,0,0|2,0,0]=3 834 B13R1.26 C#CCO[C@H](CCl)c1ccccc1 7a_100011933945_100000038162 [0,0,1,0,0,0|2,0,0]=3 835 B13R1.26 C#CCSC(C=C)c1ccccc1 62a_100000038162_200000085779 [0,0,1,0,0,0|1,0,2]=4 836 B13R1.26 C=CCNC(CC)c1ccccc1 2230a_100000737752_100000210623 [0,0,1,0,0,0|0,0,2]=3 837 B13R1.26 C=CCNC(CC)c1ccccn1 2230a_100015186561_100000210623 [0,0,1,0,0,0|1,0,2]=4 838 B13R1.26 C=CCNC(CC)c1cccnc1 2230a_100000246009_100000210623 [0,0,1,0,0,0|1,0,2]=4 839 B13R1.26 C=CCN[C@H](CO)c1ccccc1 2230a_100000751927_100000210623 [0,0,1,0,0,0|1,0,2]=4 840 B13R1.26 C=CCN[C@H](CO)c1ccccc1 34a_100000751927_100015514636 [0,0,1,0,0,0|1,0,2]=4 841 B13R1.26 C=CCOC(CC)c1ccccc1 34a_100000698172_100015514636 [0,0,1,0,0,0|1,0,2]=4 842 B13R1.26 C=CCOC(CC)c1ccccc1 7a_100000698172_100015514636 [0,0,1,0,0,0|1,0,2]=4 843 B13R1.26 CCC(NCC#N)c1ccccc1 2230a_100000737752_100011215382 [0,0,1,0,0,0|1,0,0]=2 844 B13R1.26 CCC(NCC#N)c1ccccn1 2230a_100015186561_100011215382 [0,0,1,0,0,0|2,0,0]=3 845 B13R1.26 CCC(NCC#N)c1cccnc1 2230a_100000246009_100011215382 [0,0,1,0,0,0|2,0,0]=3 846 B13R1.26 CCC(NCC#N)c1cnccn1 2230a_200016994365_100011215382 [0,0,1,0,0,0|3,0,0]=4 847 B13R1.26 CCC(NCC=O)c1ccccc1 2230a_100000737752_200015260668 [0,0,1,0,0,0|1,0,1]=3 848 B13R1.26 CCC(NCC=O)c1ccccn1 2230a_100015186561_200015260668 [0,0,1,0,0,0|2,0,1]=4 849 B13R1.26 CCC(NCC=O)c1cccnc1 2230a_100000246009_200015260668 [0,0,1,0,0,0|2,0,1]=4 850 B13R1.26 CCC(NCCF)c1ccccc1 2230a_100000737752_100011217306 [0,0,1,0,0,0|1,0,1]=3 851 B13R1.26 CCC(NCCF)c1ccccc1 269862a_100000724931_100000210124 [0,0,1,0,0,0|1,0,1]=3 852 B13R1.26 CCC(NCCF)c1ccccn1 2230a_100015186561_100011217306 [0,0,1,0,0,0|2,0,1]=4 853 B13R1.26 CCC(NCCF)c1ccccn1 269862a_100000724931_100000748178 [0,0,1,0,0,0|2,0,1]=4 854 B13R1.26 CCC(NCCF)c1cccnc1 2230a_100000246009_100011217306 [0,0,1,0,0,0|2,0,1]=4 855 B13R1.26 CCC(NCCF)c1cccnc1 269862a_100000724931_100011218761 [0,0,1,0,0,0|2,0,1]=4 856 B13R1.26 CCC(NCCF)c1ccncc1 269862a_100000724931_100011216016 [0,0,1,0,0,0|2,0,1]=4 857 B13R1.26 CCC(NCCO)c1ccccc1 2230a_100000737752_100000211926 [0,0,1,0,0,0|1,0,1]=3 858 B13R1.26 CCC(NCCO)c1ccccc1 269862a_100000210304_100000210124 [0,0,1,0,0,0|1,0,1]=3 859 B13R1.26 CCC(NCCO)c1ccccn1 2230a_100015186561_100000211926 [0,0,1,0,0,0|2,0,1]=4 860 B13R1.26 CCC(NCCO)c1ccccn1 269862a_100000210304_100000748178 [0,0,1,0,0,0|2,0,1]=4 861 B13R1.26 CCC(NCCO)c1cccnc1 2230a_100000246009_100000211926 [0,0,1,0,0,0|2,0,1]=4 862 B13R1.26 CCC(NCCO)c1cccnc1 269862a_100000210304_100011218761 [0,0,1,0,0,0|2,0,1]=4 863 B13R1.26 CCC(NCCO)c1ccncc1 269862a_100000210304_100011216016 [0,0,1,0,0,0|2,0,1]=4 864 B13R1.26 CCC(NCOC)c1ccccc1 2230a_100000737752_100000766300 [0,0,1,0,0,0|1,0,1]=3 865 B13R1.26 CCC(NCOC)c1ccccn1 2230a_100015186561_100000766300 [0,0,1,0,0,0|2,0,1]=4 866 B13R1.26 CCC(NCOC)c1cccnc1 2230a_100000246009_100000766300 [0,0,1,0,0,0|2,0,1]=4 867 B13R1.26 CCC(NCSC)c1ccccc1 2230a_100000737752_100011218213 [0,0,1,0,0,0|1,0,1]=3 868 B13R1.26 CCC(NCSC)c1ccccn1 2230a_100015186561_100011218213 [0,0,1,0,0,0|2,0,1]=4 869 B13R1.26 CCC(NCSC)c1cccnc1 2230a_100000246009_100011218213 [0,0,1,0,0,0|2,0,1]=4 870 B13R1.26 CCC(OCC#N)c1ccccc1 7a_100000698172_100011215382 [0,0,1,0,0,0|2,0,0]=3 871 B13R1.26 CCC(OCC=O)c1ccccc1 34a_100000698172_200009817547 [0,0,1,0,0,0|2,0,1]=4 872 B13R1.26 CCC(OCC=O)c1ccccc1 7a_100000698172_200015260668 [0,0,1,0,0,0|2,0,1]=4 873 B13R1.26 CCC(OCCF)c1ccccc1 34a_100000698172_100011217306 [0,0,1,0,0,0|2,0,1]=4 874 B13R1.26 CCC(OCCF)c1ccccc1 7a_100000698172_100011217306 [0,0,1,0,0,0|2,0,1]=4 875 B13R1.26 CCC(OCCO)c1ccccc1 34a_100000698172_100000211926 [0,0,1,0,0,0|2,0,1]=4 876 B13R1.26 CCC(OCCO)c1ccccc1 7a_100000698172_100000211926 [0,0,1,0,0,0|2,0,1]=4 877 B13R1.26 CCC(OCSC)c1ccccc1 34a_100000698172_100011218213 [0,0,1,0,0,0|2,0,1]=4 878 B13R1.26 CCCNC(CC)c1ccccc1 2230a_100000737752_100000210303 [0,0,1,0,0,0|0,0,2]=3 879 B13R1.26 CCCNC(CC)c1ccccc1 269862a_100020643023_100000210124 [0,0,1,0,0,0|0,0,2]=3 880 B13R1.26 CCCNC(CC)c1ccccn1 2230a_100015186561_100000210303 [0,0,1,0,0,0|1,0,2]=4 881 B13R1.26 CCCNC(CC)c1ccccn1 269862a_100020643023_100000748178 [0,0,1,0,0,0|1,0,2]=4 882 B13R1.26 CCCNC(CC)c1cccnc1 2230a_100000246009_100000210303 [0,0,1,0,0,0|1,0,2]=4 883 B13R1.26 CCCNC(CC)c1cccnc1 269862a_100020643023_100011218761 [0,0,1,0,0,0|1,0,2]=4 884 B13R1.26 CCCNC(CC)c1ccncc1 269862a_100020643023_100011216016 [0,0,1,0,0,0|1,0,2]=4 885 B13R1.26 CCCN[C@H](CO)c1ccccc1 2230a_100000751927_100000210303 [0,0,1,0,0,0|1,0,2]=4 886 B13R1.26 CCCN[C@H](CO)c1ccccc1 34a_100000751927_100000210303 [0,0,1,0,0,0|1,0,2]=4 887 B13R1.26 CCCOC(CC)c1ccccc1 34a_100000698172_100000210303 [0,0,1,0,0,0|1,0,2]=4 888 B13R1.26 CCCOC(CC)c1ccccc1 7a_100000698172_100000210303 [0,0,1,0,0,0|1,0,2]=4 889 B13R1.26 CCN(CCC#N)c1ccccc1 2230a_100000183874_100000210202 [0,0,1,0,0,0|3,0,0]=4 890 B13R1.26 CCN(CCC#N)c1ccccc1 2230a_100000210013_100011215226 [0,0,1,0,0,0|3,0,0]=4 891 B13R1.26 CCN(CCC#N)c1ccccc1 269982a_100000210013_100011215226 [0,0,1,0,0,0|3,0,0]=4 892 B13R1.26 COCN[C@H](CO)c1ccccc1 2230a_100000751927_100000766300 [0,0,1,0,0,0|2,0,1]=4 893 B13R1.26 CSCN[C@H](CO)c1ccccc1 2230a_100000751927_100011218213 [0,0,1,0,0,0|2,0,1]=4 894 B13R1.26 CSCN[C@H](CO)c1ccccc1 34a_100000751927_100011218213 [0,0,1,0,0,0|2,0,1]=4 895 B13R1.26 N#CCNC(CO)c1ccccn1 2230a_100015196888_100011215382 [0,0,1,0,0,0|3,0,0]=4 896 B13R1.26 N#CCN[C@H](CO)c1ccccc1 2230a_100000751927_100011215382 [0,0,1,0,0,0|2,0,0]=3 897 B13R1.26 N#CCN[C@H](CO)c1ccncc1 2230a_100138412524_100011215382 [0,0,1,0,0,0|3,0,0]=4 898 B13R1.26 N#CCOC(CBr)c1ccccc1 7a_100000185958_100011215382 [0,0,1,0,0,0|3,0,0]=4 899 B13R1.26 N#CCO[C@H](CCl)c1ccccc1 7a_100011933945_100011215382 [0,0,1,0,0,0|3,0,0]=4 900 B13R1.26 O=CCN[C@H](CO)c1ccccc1 2230a_100000751927_200015260668 [0,0,1,0,0,0|2,0,1]=4 901 B13R1.26 O=CCN[C@H](CO)c1ccccc1 34a_100000751927_200009817547 [0,0,1,0,0,0|2,0,1]=4 902 B13R1.26 OCCN[C@H](CO)c1ccccc1 2230a_100000751927_100000211926 [0,0,1,0,0,0|2,0,1]=4 903 B13R1.26 OCCN[C@H](CO)c1ccccc1 34a_100000751927_100000211926 [0,0,1,0,0,0|2,0,1]=4 904 B13R1.26 OC[C@@H](NCCF)c1ccccc1 2230a_100000751927_100011217306 [0,0,1,0,0,0|2,0,1]=4 905 B13R1.26 OC[C@@H](NCCF)c1ccccc1 34a_100000751927_100011217306 [0,0,1,0,0,0|2,0,1]=4 906 B13R1.28 BrCCOCCCc1ccccc1 34a_100000211926_100000211621 [0,0,1,0,0,0|2,0,1]=4 907 B13R1.28 C#CCCCCNc1ccccc1 34a_100000106764_100010269958 [0,0,1,0,0,0|2,0,0]=3 908 B13R1.28 C#CCCCCOc1ccccc1 34a_100000210340_100010269958 [0,0,1,0,0,0|2,0,0]=3 909 B13R1.28 C#CCCCCOc1ccccc1 7a_100000210340_100010269958 [0,0,1,0,0,0|2,0,0]=3 910 B13R1.28 C#CCCCCOc1cccnc1 34a_100000210849_100010269958 [0,0,1,0,0,0|3,0,0]=4 911 B13R1.28 C#CCCCCOc1cccnc1 7a_100000210849_100010269958 [0,0,1,0,0,0|3,0,0]=4 912 B13R1.28 C#CCCCCOc1ccncc1 34a_100000212176_100010269958 [0,0,1,0,0,0|3,0,0]=4 913 B13R1.28 C#CCCCCSc1ccccc1 62a_100000719477_100010269958 [0,0,1,0,0,0|2,0,0]=3 914 B13R1.28 C#CCCCCSc1ccccc1 62a_100010269958_100000041952 [0,0,1,0,0,0|2,0,0]=3 915 B13R1.28 C#CCCCCSc1ccccn1 62a_100010269958_100011216584 [0,0,1,0,0,0|3,0,0]=4 916 B13R1.28 C#CCCCCSc1ccccn1 62a_100011216584_100010269958 [0,0,1,0,0,0|3,0,0]=4 917 B13R1.28 C#CCCCCSc1cccnc1 62a_100000210063_100010269958 [0,0,1,0,0,0|3,0,0]=4 918 B13R1.28 C#CCCCCSc1cccnc1 62a_100010269958_100000210063 [0,0,1,0,0,0|3,0,0]=4 919 B13R1.28 C#CCCCCSc1ccncc1 62a_100000728582_100010269958 [0,0,1,0,0,0|3,0,0]=4 920 B13R1.28 C#CCCCCSc1ccncc1 62a_100010269958_100000728582 [0,0,1,0,0,0|3,0,0]=4 921 B13R1.28 C#CCCCNCc1ccccc1 207a_100000718082_100015611070 [0,0,1,0,0,0|2,0,0]=3 922 B13R1.28 C#CCCCNCc1ccccc1 2230a_100015324214_100000731252 [0,0,1,0,0,0|2,0,0]=3 923 B13R1.28 C#CCCCNCc1ccccc1 270004a_100000718082_100015611070 [0,0,1,0,0,0|2,0,0]=3 924 B13R1.28 C#CCCCNCc1ccccc1 34a_100000718082_100015291786 [0,0,1,0,0,0|2,0,0]=3 925 B13R1.28 C#CCCCNCc1ccccc1 34a_100015324214_100000695029 [0,0,1,0,0,0|2,0,0]=3 926 B13R1.28 C#CCCCNCc1ccccn1 207a_100000718082_100000209966 [0,0,1,0,0,0|3,0,0]=4 927 B13R1.28 C#CCCCNCc1ccccn1 270004a_100000718082_100000209966 [0,0,1,0,0,0|3,0,0]=4 928 B13R1.28 C#CCCCNCc1ccccn1 34a_100000718082_100000721315 [0,0,1,0,0,0|3,0,0]=4 929 B13R1.28 C#CCCCNCc1cccnc1 207a_100000718082_100000209961 [0,0,1,0,0,0|3,0,0]=4 930 B13R1.28 C#CCCCNCc1cccnc1 270004a_100000718082_100000209961 [0,0,1,0,0,0|3,0,0]=4 931 B13R1.28 C#CCCCNCc1cccnc1 34a_100000718082_100000733263 [0,0,1,0,0,0|3,0,0]=4 932 B13R1.28 C#CCCCNCc1ccncc1 207a_100000718082_100000186114 [0,0,1,0,0,0|3,0,0]=4 933 B13R1.28 C#CCCCOCc1ccccc1 34a_100000210790_100000695029 [0,0,1,0,0,0|2,0,0]=3 934 B13R1.28 C#CCCCOCc1ccccc1 34a_100000215630_100015291786 [0,0,1,0,0,0|2,0,0]=3 935 B13R1.28 C#CCCCOCc1ccccc1 7a_100000210790_100011215417 [0,0,1,0,0,0|2,0,0]=3 936 B13R1.28 C#CCCCOCc1ccccc1 7a_100000215630_100000211182 [0,0,1,0,0,0|2,0,0]=3 937 B13R1.28 C#CCCCOCc1ccccn1 34a_100000215630_100000721315 [0,0,1,0,0,0|3,0,0]=4 938 B13R1.28 C#CCCCOCc1ccccn1 7a_100000215630_100000721315 [0,0,1,0,0,0|3,0,0]=4 939 B13R1.28 C#CCCCOCc1cccnc1 34a_100000215630_100000733263 [0,0,1,0,0,0|3,0,0]=4 940 B13R1.28 C#CCCCOCc1cccnc1 7a_100000215630_100000741622 [0,0,1,0,0,0|3,0,0]=4 941 B13R1.28 C#CCCCOCc1ccncc1 7a_100000215630_100015193705 [0,0,1,0,0,0|3,0,0]=4 942 B13R1.28 C#CCCCSCc1ccccc1 62a_100000211182_100011215417 [0,0,1,0,0,0|2,0,0]=3 943 B13R1.28 C#CCCCSCc1ccccc1 62a_100011215417_100015291786 [0,0,1,0,0,0|2,0,0]=3 944 B13R1.28 C#CCCCSCc1ccccn1 62a_100000721315_100011215417 [0,0,1,0,0,0|3,0,0]=4 945 B13R1.28 C#CCCCSCc1ccccn1 62a_100011215417_100000721315 [0,0,1,0,0,0|3,0,0]=4 946 B13R1.28 C#CCCCSCc1cccnc1 62a_100000741622_100011215417 [0,0,1,0,0,0|3,0,0]=4 947 B13R1.28 C#CCCCSCc1cccnc1 62a_100011215417_100000741622 [0,0,1,0,0,0|3,0,0]=4 948 B13R1.28 C#CCCCSCc1ccncc1 62a_100011215417_100015193705 [0,0,1,0,0,0|3,0,0]=4 949 B13R1.28 C#CCCCSCc1ccncc1 62a_100015193705_100011215417 [0,0,1,0,0,0|3,0,0]=4 950 B13R1.28 C#CCCNCCc1ccccc1 2230a_100000106460_100000688953 [0,0,1,0,0,0|2,0,0]=3 951 B13R1.28 C#CCCNCCc1ccccc1 34a_100000106460_100000688953 [0,0,1,0,0,0|2,0,0]=3 952 B13R1.28 C#CCCNCCc1ccccc1 34a_100000755551_100000765856 [0,0,1,0,0,0|2,0,0]=3 953 B13R1.28 C#CCCNCCc1cccnc1 2230a_100000736294_100000688953 [0,0,1,0,0,0|3,0,0]=4 954 B13R1.28 C#CCCOCCc1ccccc1 34a_100000210268_100000688953 [0,0,1,0,0,0|2,0,0]=3 955 B13R1.28 C#CCCOCCc1ccccc1 34a_100011215631_100000765856 [0,0,1,0,0,0|2,0,0]=3 956 B13R1.28 C#CCCOCCc1ccccc1 7a_100000210268_100000688953 [0,0,1,0,0,0|2,0,0]=3 957 B13R1.28 C#CCCOCCc1ccccn1 34a_100000210271_100000688953 [0,0,1,0,0,0|3,0,0]=4 958 B13R1.28 C#CCCOCCc1cccnc1 34a_100011217484_100000688953 [0,0,1,0,0,0|3,0,0]=4 959 B13R1.28 C#CCCOCCc1ccncc1 34a_100011216225_100000688953 [0,0,1,0,0,0|3,0,0]=4 960 B13R1.28 C#CCCSCCc1ccccc1 62a_100000688953_100011218657 [0,0,1,0,0,0|2,0,0]=3 961 B13R1.28 C#CCCSCCc1ccccc1 62a_100000765856_100000688953 [0,0,1,0,0,0|2,0,0]=3 962 B13R1.28 C#CCCSCCc1ccccn1 62a_100000688953_100015183660 [0,0,1,0,0,0|3,0,0]=4 963 B13R1.28 C#CCCSCCc1ccccn1 62a_100015183660_100000688953 [0,0,1,0,0,0|3,0,0]=4 964 B13R1.28 C#CCCSCCc1cccnc1 62a_100000688953_200011713674 [0,0,1,0,0,0|3,0,0]=4 965 B13R1.28 C#CCCSCCc1cccnc1 62a_200011713674_100000688953 [0,0,1,0,0,0|3,0,0]=4 966 B13R1.28 C#CCCSCCc1ccncc1 62a_100000688953_100000723409 [0,0,1,0,0,0|3,0,0]=4 967 B13R1.28 C#CCCSCCc1ccncc1 62a_100000723409_100000688953 [0,0,1,0,0,0|3,0,0]=4 968 B13R1.28 C#CCCSCSc1ccccc1 62a_100000688953_100011218342 [0,0,1,0,0,0|3,0,0]=4 969 B13R1.28 C#CCCSCSc1ccccc1 62a_100011218342_100000688953 [0,0,1,0,0,0|3,0,0]=4 970 B13R1.28 C#CCNC/C=C/c1ccccc1 2230a_100020603302_100000038162 [0,0,1,0,0,0|0,0,2]=3 971 B13R1.28 C#CCNC/C=C/c1ccccc1 34a_100000212058_100016265936 [0,0,1,0,0,0|0,0,2]=3 972 B13R1.28 C#CCNC/C=C/c1ccccc1 34a_100020603302_100000184674 [0,0,1,0,0,0|0,0,2]=3 973 B13R1.28 C#CCNCC#Cc1ccccc1 34a_100000212058_100011352542 [0,0,1,0,0,0|0,0,2]=3 974 B13R1.28 C#CCNCC#Cc1ccccc1 34a_100000735379_100000184674 [0,0,1,0,0,0|0,0,2]=3 975 B13R1.28 C#CCNCCCc1ccccc1 2230a_100000211184_100000038162 [0,0,1,0,0,0|0,0,0]=1 976 B13R1.28 C#CCNCCCc1ccccc1 34a_100000211184_100000184674 [0,0,1,0,0,0|0,0,0]=1 977 B13R1.28 C#CCNCCCc1ccccc1 34a_100000212058_100000211621 [0,0,1,0,0,0|0,0,0]=1 978 B13R1.28 C#CCNCCCc1cccnc1 2230a_100011532358_100000038162 [0,0,1,0,0,0|1,0,0]=2 979 B13R1.28 C#CCNCCCc1cccnc1 34a_100011532358_100000184674 [0,0,1,0,0,0|1,0,0]=2 980 B13R1.28 C#CCNCCCc1ccncc1 2230a_100011275580_100000038162 [0,0,1,0,0,0|1,0,0]=2 981 B13R1.28 C#CCNCCOc1ccccc1 2230a_100000174943_100000038162 [0,0,1,0,0,0|1,0,0]=2 982 B13R1.28 C#CCNCCOc1ccccc1 34a_100000174943_100000184674 [0,0,1,0,0,0|1,0,0]=2 983 B13R1.28 C#CCNCCOc1ccccc1 34a_100000212058_100000184471 [0,0,1,0,0,0|1,0,0]=2 984 B13R1.28 C#CCNCCOc1ccccn1 2230a_106741647558_100000038162 [0,0,1,0,0,0|2,0,0]=3 985 B13R1.28 C#CCNCCOc1cccnc1 2230a_100000754688_100000038162 [0,0,1,0,0,0|2,0,0]=3 986 B13R1.28 C#CCNCCSc1ccccc1 2230a_100000189519_100000038162 [0,0,1,0,0,0|1,0,0]=2 987 B13R1.28 C#CCNCCSc1ccccc1 34a_100000212058_100000246102 [0,0,1,0,0,0|1,0,0]=2 988 B13R1.28 C#CCNCOCc1ccccc1 34a_100000212058_100000763385 [0,0,1,0,0,0|1,0,0]=2 989 B13R1.28 C#CCNCSCc1ccccc1 34a_100000212058_200011217039 [0,0,1,0,0,0|1,0,0]=2 990 B13R1.28 C#CCOC/C=C/c1ccccc1 34a_100000210247_100016265936 [0,0,1,0,0,0|1,0,2]=4 991 B13R1.28 C#CCOC/C=C/c1ccccc1 34a_100000210256_100000184674 [0,0,1,0,0,0|1,0,2]=4 992 B13R1.28 C#CCOCC#Cc1ccccc1 34a_100000210247_100011352542 [0,0,1,0,0,0|1,0,2]=4 993 B13R1.28 C#CCOCC#Cc1ccccc1 34a_100011217464_100000184674 [0,0,1,0,0,0|1,0,2]=4 994 B13R1.28 C#CCOCC#Cc1ccccc1 7a_100011217464_100000038162 [0,0,1,0,0,0|1,0,2]=4 995 B13R1.28 C#CCOCCCC1=CCC=CC1 34a_100020667889_100000184674 [0,0,1,0,0,0|1,0,2]=4 996 B13R1.28 C#CCOCCCc1ccccc1 34a_100000210247_100000211621 [0,0,1,0,0,0|1,0,0]=2 997 B13R1.28 C#CCOCCCc1ccccc1 34a_100000210828_100000184674 [0,0,1,0,0,0|1,0,0]=2 998 B13R1.28 C#CCOCCCc1ccccc1 7a_100000210828_100000038162 [0,0,1,0,0,0|1,0,0]=2 999 B13R1.28 C#CCOCCCc1ccccn1 34a_100011215068_100000184674 [0,0,1,0,0,0|2,0,0]=3 1000 B13R1.28 C#CCOCCCc1cccnc1 34a_100000211284_100000184674 [0,0,1,0,0,0|2,0,0]=3 1001 B13R1.28 C#CCOCCCc1ccncc1 34a_100000210659_100000184674 [0,0,1,0,0,0|2,0,0]=3 1002 B13R1.28 C#CCOCCNc1ccccc1 34a_100000106764_100010402529 [0,0,1,0,0,0|2,0,0]=3 1003 B13R1.28 C#CCOCCNc1ccccc1 34a_100000211345_100000184674 [0,0,1,0,0,0|2,0,0]=3 1004 B13R1.28 C#CCOCCNc1ccncc1 34a_200011243140_100000184674 [0,0,1,0,0,0|3,0,0]=4 1005 B13R1.28 C#CCOCCOc1ccccc1 34a_100000210247_100000184471 [0,0,1,0,0,0|2,0,0]=3 1006 B13R1.28 C#CCOCCOc1ccccc1 34a_100000210260_100000184674 [0,0,1,0,0,0|2,0,0]=3 1007 B13R1.28 C#CCOCCOc1ccccc1 34a_100000210340_100010402529 [0,0,1,0,0,0|2,0,0]=3 1008 B13R1.28 C#CCOCCOc1ccccc1 7a_100000210260_100000038162 [0,0,1,0,0,0|2,0,0]=3 1009 B13R1.28 C#CCOCCOc1ccccc1 7a_100000210340_100010402529 [0,0,1,0,0,0|2,0,0]=3 1010 B13R1.28 C#CCOCCOc1cccnc1 34a_100000210849_100010402529 [0,0,1,0,0,0|3,0,0]=4 1011 B13R1.28 C#CCOCCOc1cccnc1 7a_100000210849_100010402529 [0,0,1,0,0,0|3,0,0]=4 1012 B13R1.28 C#CCOCCOc1ccncc1 34a_100000212176_100010402529 [0,0,1,0,0,0|3,0,0]=4 1013 B13R1.28 C#CCOCCSc1ccccc1 34a_100000210247_100000246102 [0,0,1,0,0,0|2,0,0]=3 1014 B13R1.28 C#CCOCCSc1ccccc1 62a_100000719477_100010402529 [0,0,1,0,0,0|2,0,0]=3 1015 B13R1.28 C#CCOCCSc1ccccc1 62a_100010402529_100000041952 [0,0,1,0,0,0|2,0,0]=3 1016 B13R1.28 C#CCOCCSc1ccccc1 7a_100000230494_100000038162 [0,0,1,0,0,0|2,0,0]=3 1017 B13R1.28 C#CCOCCSc1ccccn1 62a_100010402529_100011216584 [0,0,1,0,0,0|3,0,0]=4 1018 B13R1.28 C#CCOCCSc1ccccn1 62a_100011216584_100010402529 [0,0,1,0,0,0|3,0,0]=4 1019 B13R1.28 C#CCOCCSc1ccccn1 7a_100000156319_100000038162 [0,0,1,0,0,0|3,0,0]=4 1020 B13R1.28 C#CCOCCSc1cccnc1 62a_100000210063_100010402529 [0,0,1,0,0,0|3,0,0]=4 1021 B13R1.28 C#CCOCCSc1cccnc1 62a_100010402529_100000210063 [0,0,1,0,0,0|3,0,0]=4 1022 B13R1.28 C#CCOCCSc1ccncc1 62a_100000728582_100010402529 [0,0,1,0,0,0|3,0,0]=4 1023 B13R1.28 C#CCOCCSc1ccncc1 62a_100010402529_100000728582 [0,0,1,0,0,0|3,0,0]=4 1024 B13R1.28 C#CCOCOCc1ccccc1 34a_100000210247_100000763385 [0,0,1,0,0,0|2,0,0]=3 1025 B13R1.28 C#CCOCSCc1ccccc1 34a_100000210247_200011217039 [0,0,1,0,0,0|2,0,0]=3 1026 B13R1.28 C#CCSC/C=C/c1ccccc1 62a_100000038162_100016265936 [0,0,1,0,0,0|1,0,2]=4 1027 B13R1.28 C#CCSCC#Cc1ccccc1 62a_100000038162_100011352542 [0,0,1,0,0,0|1,0,2]=4 1028 B13R1.28 C#CCSCCCc1ccccc1 62a_100000038162_100000211621 [0,0,1,0,0,0|1,0,0]=2 1029 B13R1.28 C#CCSCCOc1ccccc1 62a_100000038162_100000184471 [0,0,1,0,0,0|2,0,0]=3 1030 B13R1.28 C#CCSCCSc1ccccc1 62a_100000038162_100000246102 [0,0,1,0,0,0|2,0,0]=3 1031 B13R1.28 C#CCSCOCc1ccccc1 62a_100000038162_100000763385 [0,0,1,0,0,0|2,0,0]=3 1032 B13R1.28 C#CCSCSCc1ccccc1 62a_100000038162_200011217039 [0,0,1,0,0,0|2,0,0]=3 1033 B13R1.28 C=CCNCCCc1ccccc1 2230a_100000211184_100000210623 [0,0,1,0,0,0|0,0,2]=3 1034 B13R1.28 C=CCNCCCc1ccccc1 2230a_100020586998_100000211621 [0,0,1,0,0,0|0,0,2]=3 1035 B13R1.28 C=CCNCCCc1ccccc1 34a_100000211184_100015514636 [0,0,1,0,0,0|0,0,2]=3 1036 B13R1.28 C=CCNCCCc1cccnc1 2230a_100011532358_100000210623 [0,0,1,0,0,0|1,0,2]=4 1037 B13R1.28 C=CCNCCCc1cccnc1 34a_100011532358_100015514636 [0,0,1,0,0,0|1,0,2]=4 1038 B13R1.28 C=CCNCCCc1ccncc1 2230a_100011275580_100000210623 [0,0,1,0,0,0|1,0,2]=4 1039 B13R1.28 C=CCNCCOc1ccccc1 2230a_100000174943_100000210623 [0,0,1,0,0,0|1,0,2]=4 1040 B13R1.28 C=CCNCCOc1ccccc1 2230a_100020586998_100000184471 [0,0,1,0,0,0|1,0,2]=4 1041 B13R1.28 C=CCNCCOc1ccccc1 270004a_100020586998_100000758736 [0,0,1,0,0,0|1,0,2]=4 1042 B13R1.28 C=CCNCCOc1ccccc1 34a_100000174943_100015514636 [0,0,1,0,0,0|1,0,2]=4 1043 B13R1.28 C=CCNCCSc1ccccc1 2230a_100000189519_100000210623 [0,0,1,0,0,0|1,0,2]=4 1044 B13R1.28 C=CCNCCSc1ccccc1 2230a_100020586998_100000246102 [0,0,1,0,0,0|1,0,2]=4 1045 B13R1.28 C=CCNCOCc1ccccc1 2230a_100020586998_100000763385 [0,0,1,0,0,0|1,0,2]=4 1046 B13R1.28 C=CCNCSCc1ccccc1 2230a_100020586998_200011217039 [0,0,1,0,0,0|1,0,2]=4 1047 B13R1.28 C=CCOCCCc1ccccc1 34a_100000210828_100015514636 [0,0,1,0,0,0|1,0,2]=4 1048 B13R1.28 C=CCOCCCc1ccccc1 34a_200000210373_100000211621 [0,0,1,0,0,0|1,0,2]=4 1049 B13R1.28 C=CCOCCCc1ccccc1 7a_100000210828_100015514636 [0,0,1,0,0,0|1,0,2]=4 1050 B13R1.28 C=CCSCCCc1ccccc1 62a_100000210623_100000211621 [0,0,1,0,0,0|1,0,2]=4 1051 B13R1.28 C=CCSCCCc1ccccc1 62a_100000211621_100000210623 [0,0,1,0,0,0|1,0,2]=4 1052 B13R1.28 CCCNCCCc1ccccc1 2230a_100000211184_100000210303 [0,0,1,0,0,0|0,0,2]=3 1053 B13R1.28 CCCNCCCc1ccccc1 34a_100000211184_100000210303 [0,0,1,0,0,0|0,0,2]=3 1054 B13R1.28 CCCNCCCc1cccnc1 2230a_100011532358_100000210303 [0,0,1,0,0,0|1,0,2]=4 1055 B13R1.28 CCCNCCCc1cccnc1 34a_100011532358_100000210303 [0,0,1,0,0,0|1,0,2]=4 1056 B13R1.28 CCCNCCCc1ccncc1 2230a_100011275580_100000210303 [0,0,1,0,0,0|1,0,2]=4 1057 B13R1.28 CCCNCCOc1ccccc1 2230a_100000174943_100000210303 [0,0,1,0,0,0|1,0,2]=4 1058 B13R1.28 CCCNCCOc1ccccc1 270004a_100020643023_100000758736 [0,0,1,0,0,0|1,0,2]=4 1059 B13R1.28 CCCNCCOc1ccccc1 34a_100000174943_100000210303 [0,0,1,0,0,0|1,0,2]=4 1060 B13R1.28 CCCNCCSc1ccccc1 2230a_100000189519_100000210303 [0,0,1,0,0,0|1,0,2]=4 1061 B13R1.28 CCCOCCCc1ccccc1 34a_100000210258_100000211621 [0,0,1,0,0,0|1,0,2]=4 1062 B13R1.28 CCCOCCCc1ccccc1 34a_100000210828_100000210303 [0,0,1,0,0,0|1,0,2]=4 1063 B13R1.28 CCCOCCCc1ccccc1 7a_100000210828_100000210303 [0,0,1,0,0,0|1,0,2]=4 1064 B13R1.28 CCCSCCCc1ccccc1 62a_100000210303_100000211621 [0,0,1,0,0,0|1,0,2]=4 1065 B13R1.28 CCCSCCCc1ccccc1 62a_100000211621_100000210303 [0,0,1,0,0,0|1,0,2]=4 1066 B13R1.28 CNCCCCCc1ccccc1 2230a_100000750932_200000210301 [0,0,1,0,0,0|2,0,1]=4 1067 B13R1.28 CNCCCCCc1ccccc1 2230a_106832991635_200011217138 [0,0,1,0,0,0|2,0,1]=4 1068 B13R1.28 CNCCCCCc1ccccc1 34a_100000750932_200000210301 [0,0,1,0,0,0|2,0,1]=4 1069 B13R1.28 CNCCCCCc1ccccc1 34a_100102657272_200011217138 [0,0,1,0,0,0|2,0,1]=4 1070 B13R1.28 CNCCCCCc1ccccc1 7a_106832991635_200011217138 [0,0,1,0,0,0|2,0,1]=4 1071 B13R1.28 COCCCCCc1ccccc1 34a_100138415774_200011217138 [0,0,1,0,0,0|2,0,1]=4 1072 B13R1.28 COCCCCCc1ccccc1 34a_200011219639_200000210301 [0,0,1,0,0,0|2,0,1]=4 1073 B13R1.28 COCCCCCc1ccccc1 7a_200011219639_200000210301 [0,0,1,0,0,0|2,0,1]=4 1074 B13R1.28 COCNCCCc1ccccc1 2230a_100000211184_100000766300 [0,0,1,0,0,0|1,0,1]=3 1075 B13R1.28 COCNCCCc1cccnc1 2230a_100011532358_100000766300 [0,0,1,0,0,0|2,0,1]=4 1076 B13R1.28 COCNCCCc1ccncc1 2230a_100011275580_100000766300 [0,0,1,0,0,0|2,0,1]=4 1077 B13R1.28 COCNCCOc1ccccc1 2230a_100000174943_100000766300 [0,0,1,0,0,0|2,0,1]=4 1078 B13R1.28 COCNCCSc1ccccc1 2230a_100000189519_100000766300 [0,0,1,0,0,0|2,0,1]=4 1079 B13R1.28 COCSCCCc1ccccc1 62a_100000211621_100000766300 [0,0,1,0,0,0|2,0,1]=4 1080 B13R1.28 COCSCCCc1ccccc1 62a_100000766300_100000211621 [0,0,1,0,0,0|2,0,1]=4 1081 B13R1.28 CSCCCCCc1ccccc1 62a_200000210301_200011217138 [0,0,1,0,0,0|2,0,1]=4 1082 B13R1.28 CSCCCCCc1ccccc1 62a_200011217138_200000210301 [0,0,1,0,0,0|2,0,1]=4 1083 B13R1.28 CSCNCCCc1ccccc1 2230a_100000211184_100011218213 [0,0,1,0,0,0|1,0,1]=3 1084 B13R1.28 CSCNCCCc1ccccc1 34a_100000211184_100011218213 [0,0,1,0,0,0|1,0,1]=3 1085 B13R1.28 CSCNCCCc1cccnc1 2230a_100011532358_100011218213 [0,0,1,0,0,0|2,0,1]=4 1086 B13R1.28 CSCNCCCc1cccnc1 34a_100011532358_100011218213 [0,0,1,0,0,0|2,0,1]=4 1087 B13R1.28 CSCNCCCc1ccncc1 2230a_100011275580_100011218213 [0,0,1,0,0,0|2,0,1]=4 1088 B13R1.28 CSCNCCOc1ccccc1 2230a_100000174943_100011218213 [0,0,1,0,0,0|2,0,1]=4 1089 B13R1.28 CSCNCCOc1ccccc1 34a_100000174943_100011218213 [0,0,1,0,0,0|2,0,1]=4 1090 B13R1.28 CSCNCCSc1ccccc1 2230a_100000189519_100011218213 [0,0,1,0,0,0|2,0,1]=4 1091 B13R1.28 CSCOCCCc1ccccc1 34a_100000210828_100011218213 [0,0,1,0,0,0|2,0,1]=4 1092 B13R1.28 CSCSCCCc1ccccc1 62a_100000211621_100011218213 [0,0,1,0,0,0|2,0,1]=4 1093 B13R1.28 CSCSCCCc1ccccc1 62a_100011218213_100000211621 [0,0,1,0,0,0|2,0,1]=4 1094 B13R1.28 FCCNCCCc1ccccc1 2230a_100000211184_100011217306 [0,0,1,0,0,0|1,0,1]=3 1095 B13R1.28 FCCNCCCc1ccccc1 34a_100000211184_100011217306 [0,0,1,0,0,0|1,0,1]=3 1096 B13R1.28 FCCNCCCc1ccccc1 34a_100000724931_100000211621 [0,0,1,0,0,0|1,0,1]=3 1097 B13R1.28 FCCNCCCc1cccnc1 2230a_100011532358_100011217306 [0,0,1,0,0,0|2,0,1]=4 1098 B13R1.28 FCCNCCCc1cccnc1 34a_100011532358_100011217306 [0,0,1,0,0,0|2,0,1]=4 1099 B13R1.28 FCCNCCCc1ccncc1 2230a_100011275580_100011217306 [0,0,1,0,0,0|2,0,1]=4 1100 B13R1.28 FCCNCCOc1ccccc1 2230a_100000174943_100011217306 [0,0,1,0,0,0|2,0,1]=4 1101 B13R1.28 FCCNCCOc1ccccc1 34a_100000174943_100011217306 [0,0,1,0,0,0|2,0,1]=4 1102 B13R1.28 FCCNCCOc1ccccc1 34a_100000724931_100000184471 [0,0,1,0,0,0|2,0,1]=4 1103 B13R1.28 FCCNCCSc1ccccc1 2230a_100000189519_100011217306 [0,0,1,0,0,0|2,0,1]=4 1104 B13R1.28 FCCNCCSc1ccccc1 34a_100000724931_100000246102 [0,0,1,0,0,0|2,0,1]=4 1105 B13R1.28 FCCNCOCc1ccccc1 34a_100000724931_100000763385 [0,0,1,0,0,0|2,0,1]=4 1106 B13R1.28 FCCNCSCc1ccccc1 34a_100000724931_200011217039 [0,0,1,0,0,0|2,0,1]=4 1107 B13R1.28 FCCOCCCc1ccccc1 34a_100000210828_100011217306 [0,0,1,0,0,0|2,0,1]=4 1108 B13R1.28 FCCOCCCc1ccccc1 7a_100000210828_100011217306 [0,0,1,0,0,0|2,0,1]=4 1109 B13R1.28 FCCSCCCc1ccccc1 62a_100000211621_100011217306 [0,0,1,0,0,0|2,0,1]=4 1110 B13R1.28 FCCSCCCc1ccccc1 62a_100011217306_100000211621 [0,0,1,0,0,0|2,0,1]=4 1111 B13R1.28 N#CCCCCOc1ccccc1 7a_100000210340_100000211819 [0,0,1,0,0,0|3,0,0]=4 1112 B13R1.28 N#CCCCCSc1ccccc1 62a_100000719477_100000211819 [0,0,1,0,0,0|3,0,0]=4 1113 B13R1.28 N#CCCCCSc1ccccc1 62a_100011219923_100000041952 [0,0,1,0,0,0|3,0,0]=4 1114 B13R1.28 N#CCCCNCc1ccccc1 2230a_100015324214_100000687738 [0,0,1,0,0,0|3,0,0]=4 1115 B13R1.28 N#CCCCOCc1ccccc1 7a_100000210790_100000687738 [0,0,1,0,0,0|3,0,0]=4 1116 B13R1.28 N#CCCCSCc1ccccc1 62a_100000211182_100000687738 [0,0,1,0,0,0|3,0,0]=4 1117 B13R1.28 N#CCCCSCc1ccccc1 62a_100000687738_100015291786 [0,0,1,0,0,0|3,0,0]=4 1118 B13R1.28 N#CCCNCCc1ccccc1 2230a_100000106460_100011215226 [0,0,1,0,0,0|3,0,0]=4 1119 B13R1.28 N#CCCOCCc1ccccc1 7a_100000210268_100000184422 [0,0,1,0,0,0|3,0,0]=4 1120 B13R1.28 N#CCCSCCc1ccccc1 62a_100000765856_100011215226 [0,0,1,0,0,0|3,0,0]=4 1121 B13R1.28 N#CCCSCCc1ccccc1 62a_100011215226_100011218657 [0,0,1,0,0,0|3,0,0]=4 1122 B13R1.28 N#CCNC/C=C/c1ccccc1 2230a_100020603302_100011215382 [0,0,1,0,0,0|1,0,2]=4 1123 B13R1.28 N#CCNCCCc1ccccc1 2230a_100000211184_100011215382 [0,0,1,0,0,0|1,0,0]=2 1124 B13R1.28 N#CCNCCCc1cccnc1 2230a_100011532358_100011215382 [0,0,1,0,0,0|2,0,0]=3 1125 B13R1.28 N#CCNCCCc1ccncc1 2230a_100011275580_100011215382 [0,0,1,0,0,0|2,0,0]=3 1126 B13R1.28 N#CCNCCOc1ccccc1 2230a_100000174943_100011215382 [0,0,1,0,0,0|2,0,0]=3 1127 B13R1.28 N#CCNCCOc1ccccn1 2230a_106741647558_100011215382 [0,0,1,0,0,0|3,0,0]=4 1128 B13R1.28 N#CCNCCOc1cccnc1 2230a_100000754688_100011215382 [0,0,1,0,0,0|3,0,0]=4 1129 B13R1.28 N#CCNCCSc1ccccc1 2230a_100000189519_100011215382 [0,0,1,0,0,0|2,0,0]=3 1130 B13R1.28 N#CCOCCCc1ccccc1 7a_100000210828_100011215382 [0,0,1,0,0,0|2,0,0]=3 1131 B13R1.28 N#CCOCCOc1ccccc1 7a_100000210260_100011215382 [0,0,1,0,0,0|3,0,0]=4 1132 B13R1.28 N#CCOCCOc1ccccc1 7a_100000210340_200000047693 [0,0,1,0,0,0|3,0,0]=4 1133 B13R1.28 N#CCOCCSc1ccccc1 62a_100000719477_200000047693 [0,0,1,0,0,0|3,0,0]=4 1134 B13R1.28 N#CCOCCSc1ccccc1 62a_200000047693_100000041952 [0,0,1,0,0,0|3,0,0]=4 1135 B13R1.28 N#CCOCCSc1ccccc1 7a_100000230494_100011215382 [0,0,1,0,0,0|3,0,0]=4 1136 B13R1.28 N#CCSCCCc1ccccc1 62a_100000211621_100011215382 [0,0,1,0,0,0|2,0,0]=3 1137 B13R1.28 N#CCSCCCc1ccccc1 62a_100011215382_100000211621 [0,0,1,0,0,0|2,0,0]=3 1138 B13R1.28 N#CCSCCOc1ccccc1 62a_100000184471_100011215382 [0,0,1,0,0,0|3,0,0]=4 1139 B13R1.28 N#CCSCCOc1ccccc1 62a_100011215382_100000184471 [0,0,1,0,0,0|3,0,0]=4 1140 B13R1.28 N#CCSCCSc1ccccc1 62a_100000246102_100011215382 [0,0,1,0,0,0|3,0,0]=4 1141 B13R1.28 N#CCSCCSc1ccccc1 62a_100011215382_100000246102 [0,0,1,0,0,0|3,0,0]=4 1142 B13R1.28 N#CCSCOCc1ccccc1 62a_100000763385_100011215382 [0,0,1,0,0,0|3,0,0]=4 1143 B13R1.28 N#CCSCOCc1ccccc1 62a_100011215382_100000763385 [0,0,1,0,0,0|3,0,0]=4 1144 B13R1.28 N#CCSCSCc1ccccc1 62a_100011215382_200011217039 [0,0,1,0,0,0|3,0,0]=4 1145 B13R1.28 N#CCSCSCc1ccccc1 62a_200011217039_100011215382 [0,0,1,0,0,0|3,0,0]=4 1146 B13R1.28 NCCOCCCc1ccccc1 34a_100000210304_100000211621 [0,0,1,0,0,0|2,0,1]=4 1147 B13R1.28 O=CCNCCCc1ccccc1 2230a_100000211184_200015260668 [0,0,1,0,0,0|1,0,1]=3 1148 B13R1.28 O=CCNCCCc1ccccc1 34a_100000211184_200009817547 [0,0,1,0,0,0|1,0,1]=3 1149 B13R1.28 O=CCNCCCc1cccnc1 2230a_100011532358_200015260668 [0,0,1,0,0,0|2,0,1]=4 1150 B13R1.28 O=CCNCCCc1cccnc1 34a_100011532358_200009817547 [0,0,1,0,0,0|2,0,1]=4 1151 B13R1.28 O=CCNCCCc1ccncc1 2230a_100011275580_200015260668 [0,0,1,0,0,0|2,0,1]=4 1152 B13R1.28 O=CCNCCOc1ccccc1 2230a_100000174943_200015260668 [0,0,1,0,0,0|2,0,1]=4 1153 B13R1.28 O=CCNCCOc1ccccc1 34a_100000174943_200009817547 [0,0,1,0,0,0|2,0,1]=4 1154 B13R1.28 O=CCNCCSc1ccccc1 2230a_100000189519_200015260668 [0,0,1,0,0,0|2,0,1]=4 1155 B13R1.28 O=CCOCCCc1ccccc1 34a_100000210828_200009817547 [0,0,1,0,0,0|2,0,1]=4 1156 B13R1.28 O=CCOCCCc1ccccc1 7a_100000210828_200015260668 [0,0,1,0,0,0|2,0,1]=4 1157 B13R1.28 O=CCSCCCc1ccccc1 62a_100000211621_200015260668 [0,0,1,0,0,0|2,0,1]=4 1158 B13R1.28 O=CCSCCCc1ccccc1 62a_200015260668_100000211621 [0,0,1,0,0,0|2,0,1]=4 1159 B13R1.28 OCCNCCCc1ccccc1 2230a_100000211184_100000211926 [0,0,1,0,0,0|1,0,1]=3 1160 B13R1.28 OCCNCCCc1ccccc1 2230a_100016997473_100000211621 [0,0,1,0,0,0|1,0,1]=3 1161 B13R1.28 OCCNCCCc1ccccc1 34a_100000211184_100000211926 [0,0,1,0,0,0|1,0,1]=3 1162 B13R1.28 OCCNCCCc1ccccc1 34a_100016990907_100000211621 [0,0,1,0,0,0|1,0,1]=3 1163 B13R1.28 OCCNCCCc1cccnc1 2230a_100011532358_100000211926 [0,0,1,0,0,0|2,0,1]=4 1164 B13R1.28 OCCNCCCc1cccnc1 34a_100011532358_100000211926 [0,0,1,0,0,0|2,0,1]=4 1165 B13R1.28 OCCNCCCc1ccncc1 2230a_100011275580_100000211926 [0,0,1,0,0,0|2,0,1]=4 1166 B13R1.28 OCCNCCOc1ccccc1 2230a_100000174943_100000211926 [0,0,1,0,0,0|2,0,1]=4 1167 B13R1.28 OCCNCCOc1ccccc1 2230a_100016997473_100000184471 [0,0,1,0,0,0|2,0,1]=4 1168 B13R1.28 OCCNCCOc1ccccc1 270004a_100000210304_100000758736 [0,0,1,0,0,0|2,0,1]=4 1169 B13R1.28 OCCNCCOc1ccccc1 34a_100000174943_100000211926 [0,0,1,0,0,0|2,0,1]=4 1170 B13R1.28 OCCNCCOc1ccccc1 34a_100016990907_100000184471 [0,0,1,0,0,0|2,0,1]=4 1171 B13R1.28 OCCNCCSc1ccccc1 2230a_100000189519_100000211926 [0,0,1,0,0,0|2,0,1]=4 1172 B13R1.28 OCCNCCSc1ccccc1 2230a_100016997473_100000246102 [0,0,1,0,0,0|2,0,1]=4 1173 B13R1.28 OCCNCCSc1ccccc1 34a_100016990907_100000246102 [0,0,1,0,0,0|2,0,1]=4 1174 B13R1.28 OCCNCOCc1ccccc1 2230a_100016997473_100000763385 [0,0,1,0,0,0|2,0,1]=4 1175 B13R1.28 OCCNCOCc1ccccc1 34a_100016990907_100000763385 [0,0,1,0,0,0|2,0,1]=4 1176 B13R1.28 OCCNCSCc1ccccc1 2230a_100016997473_200011217039 [0,0,1,0,0,0|2,0,1]=4 1177 B13R1.28 OCCNCSCc1ccccc1 34a_100016990907_200011217039 [0,0,1,0,0,0|2,0,1]=4 1178 B13R1.28 OCCOCCCc1ccccc1 34a_100000210828_100000211926 [0,0,1,0,0,0|2,0,1]=4 1179 B13R1.28 OCCOCCCc1ccccc1 7a_100000210828_100000211926 [0,0,1,0,0,0|2,0,1]=4 1180 B13R1.28 OCCSCCCc1ccccc1 62a_100000211621_100000211926 [0,0,1,0,0,0|2,0,1]=4 1181 B13R1.28 OCCSCCCc1ccccc1 62a_100000211926_100000211621 [0,0,1,0,0,0|2,0,1]=4 1182 B13R1.28 [13CH3]NCCCCCc1ccccc1 2230a_100000750932_200025704644 [0,0,1,0,0,0|2,0,1]=4 1183 B13R1.28 [13CH3]NCCCCCc1ccccc1 34a_100000750932_200025704644 [0,0,1,0,0,0|2,0,1]=4 1184 B13R1.28 [13CH3]OCCCCCc1ccccc1 34a_200011219639_200025704644 [0,0,1,0,0,0|2,0,1]=4 1185 B13R1.28 [13CH3]OCCCCCc1ccccc1 7a_200011219639_200025704644 [0,0,1,0,0,0|2,0,1]=4 1186 B13R1.28 [13CH3]SCCCCCc1ccccc1 62a_200011217138_200025704644 [0,0,1,0,0,0|2,0,1]=4 1187 B13R1.28 [13CH3]SCCCCCc1ccccc1 62a_200025704644_200011217138 [0,0,1,0,0,0|2,0,1]=4 1188 B13R1.84 C#CCCNc1ccccc1CC 2230a_100000212081_100000688953 [0,0,1,0,0,0|2,0,0]=3 1189 B13R1.84 C#CCCNc1ccccc1CC 34a_100000212081_100000688953 [0,0,1,0,0,0|2,0,0]=3 1190 B13R1.84 C#CCCNc1ccccc1CC 7a_100000212081_100000688953 [0,0,1,0,0,0|2,0,0]=3 1191 B13R1.84 C#CCCNc1ccccc1CO 34a_100000212039_100000688953 [0,0,1,0,0,0|3,0,0]=4 1192 B13R1.84 C#CCCNc1ccccc1OC 34a_100000210025_100000688953 [0,0,1,0,0,0|3,0,0]=4 1193 B13R1.84 C#CCCNc1ccccc1SC 34a_100000211160_100000688953 [0,0,1,0,0,0|3,0,0]=4 1194 B13R1.84 C#CCCOc1ccccc1CC 34a_100000210936_100000688953 [0,0,1,0,0,0|2,0,0]=3 1195 B13R1.84 C#CCCOc1ccccc1CC 7a_100000210936_100000688953 [0,0,1,0,0,0|2,0,0]=3 1196 B13R1.84 C#CCCOc1ccccc1CN 34a_100000185550_100000688953 [0,0,1,0,0,0|3,0,0]=4 1197 B13R1.84 C#CCCOc1ccccc1CO 34a_100011216872_100000688953 [0,0,1,0,0,0|3,0,0]=4 1198 B13R1.84 C#CCCOc1ccccc1NC 34a_100000033821_100000688953 [0,0,1,0,0,0|3,0,0]=4 1199 B13R1.84 C#CCCOc1ccccc1OC 34a_100000210385_100000688953 [0,0,1,0,0,0|3,0,0]=4 1200 B13R1.84 C#CCCOc1ccccc1SC 34a_100011216402_100000688953 [0,0,1,0,0,0|3,0,0]=4 1201 B13R1.84 C#CCCSc1ccccc1CC 62a_100000688953_100011215823 [0,0,1,0,0,0|2,0,0]=3 1202 B13R1.84 C#CCCSc1ccccc1CC 62a_100011215823_100000688953 [0,0,1,0,0,0|2,0,0]=3 1203 B13R1.84 C#CCCSc1ccccc1CN 62a_100000688953_100000689332 [0,0,1,0,0,0|3,0,0]=4 1204 B13R1.84 C#CCCSc1ccccc1CN 62a_100000689332_100000688953 [0,0,1,0,0,0|3,0,0]=4 1205 B13R1.84 C#CCCSc1ccccc1CO 62a_100000187465_100000688953 [0,0,1,0,0,0|3,0,0]=4 1206 B13R1.84 C#CCCSc1ccccc1CO 62a_100000688953_100000187465 [0,0,1,0,0,0|3,0,0]=4 1207 B13R1.84 C#CCCSc1ccccc1NC 62a_100000688953_100020606079 [0,0,1,0,0,0|3,0,0]=4 1208 B13R1.84 C#CCCSc1ccccc1NC 62a_100020606079_100000688953 [0,0,1,0,0,0|3,0,0]=4 1209 B13R1.84 C#CCCSc1ccccc1OC 62a_100000210334_100000688953 [0,0,1,0,0,0|3,0,0]=4 1210 B13R1.84 C#CCCSc1ccccc1OC 62a_100000688953_100000210334 [0,0,1,0,0,0|3,0,0]=4 1211 B13R1.84 C#CCCSc1ccccc1SC 62a_100000688953_100011217816 [0,0,1,0,0,0|3,0,0]=4 1212 B13R1.84 C#CCCSc1ccccc1SC 62a_100011217816_100000688953 [0,0,1,0,0,0|3,0,0]=4 1213 B13R1.84 C#CCCSc1cccnc1CC 62a_100000688953_100009877225 [0,0,1,0,0,0|3,0,0]=4 1214 B13R1.84 C#CCCSc1cccnc1CC 62a_100009877225_100000688953 [0,0,1,0,0,0|3,0,0]=4 1215 B13R1.84 C#CCCSc1ccncc1CC 62a_100000688953_100025704421 [0,0,1,0,0,0|3,0,0]=4 1216 B13R1.84 C#CCCSc1ccncc1CC 62a_100025704421_100000688953 [0,0,1,0,0,0|3,0,0]=4 1217 B13R1.84 C#CCCSc1cnccc1CC 62a_100000688953_100009819861 [0,0,1,0,0,0|3,0,0]=4 1218 B13R1.84 C#CCCSc1cnccc1CC 62a_100009819861_100000688953 [0,0,1,0,0,0|3,0,0]=4 1219 B13R1.84 C#CCNCc1ccccc1C#C 34a_100020634229_100000184674 [0,0,1,0,0,0|0,0,2]=3 1220 B13R1.84 C#CCNCc1ccccc1C#N 34a_100000212058_100000181865 [0,0,1,0,0,0|1,0,1]=3 1221 B13R1.84 C#CCNCc1ccccc1C#N 34a_100016989011_100000184674 [0,0,1,0,0,0|1,0,1]=3 1222 B13R1.84 C#CCNCc1ccccc1C=O 34a_100000212058_200009853537 [0,0,1,0,0,0|1,0,1]=3 1223 B13R1.84 C#CCNCc1ccccc1CO 34a_100000212058_100009816955 [0,0,1,0,0,0|1,0,0]=2 1224 B13R1.84 C#CCNCc1ccccc1OC 34a_100000188900_100000184674 [0,0,1,0,0,0|1,0,0]=2 1225 B13R1.84 C#CCNCc1ccccc1OC 34a_100000212058_100000210004 [0,0,1,0,0,0|1,0,0]=2 1226 B13R1.84 C#CCNCc1ccccc1SC 34a_100000212058_100000699184 [0,0,1,0,0,0|1,0,0]=2 1227 B13R1.84 C#CCNCc1ccccc1SC 34a_102495365025_100000184674 [0,0,1,0,0,0|1,0,0]=2 1228 B13R1.84 C#CCNCc1cccnc1C#N 34a_100000212058_100011768898 [0,0,1,0,0,0|2,0,1]=4 1229 B13R1.84 C#CCNCc1cccnc1OC 34a_100000212058_100020631285 [0,0,1,0,0,0|2,0,0]=3 1230 B13R1.84 C#CCOCc1ccccc1C#C 34a_100000054652_100000184674 [0,0,1,0,0,0|1,0,2]=4 1231 B13R1.84 C#CCOCc1ccccc1C#C 7a_100000054652_100000038162 [0,0,1,0,0,0|1,0,2]=4 1232 B13R1.84 C#CCOCc1ccccc1C#N 34a_100000210247_100000181865 [0,0,1,0,0,0|2,0,1]=4 1233 B13R1.84 C#CCOCc1ccccc1C#N 34a_200011269968_100000184674 [0,0,1,0,0,0|2,0,1]=4 1234 B13R1.84 C#CCOCc1ccccc1C#N 7a_200011269968_100000038162 [0,0,1,0,0,0|2,0,1]=4 1235 B13R1.84 C#CCOCc1ccccc1C=C 34a_200010883148_100000184674 [0,0,1,0,0,0|1,0,2]=4 1236 B13R1.84 C#CCOCc1ccccc1C=C 7a_200010883148_100000038162 [0,0,1,0,0,0|1,0,2]=4 1237 B13R1.84 C#CCOCc1ccccc1C=O 34a_100000210247_200009853537 [0,0,1,0,0,0|2,0,1]=4 1238 B13R1.84 C#CCOCc1ccccc1CBr 34a_100009816955_100000184674 [0,0,1,0,0,0|2,0,0]=3 1239 B13R1.84 C#CCOCc1ccccc1CBr 7a_100009816955_100000038162 [0,0,1,0,0,0|2,0,0]=3 1240 B13R1.84 C#CCOCc1ccccc1CC 34a_100011663872_100000184674 [0,0,1,0,0,0|1,0,0]=2 1241 B13R1.84 C#CCOCc1ccccc1CC 7a_100011663872_100000038162 [0,0,1,0,0,0|1,0,0]=2 1242 B13R1.84 C#CCOCc1ccccc1CN 34a_100000743596_100000184674 [0,0,1,0,0,0|2,0,0]=3 1243 B13R1.84 C#CCOCc1ccccc1CO 34a_100000210247_100009816955 [0,0,1,0,0,0|2,0,0]=3 1244 B13R1.84 C#CCOCc1ccccc1OC 34a_100000210247_100000210004 [0,0,1,0,0,0|2,0,0]=3 1245 B13R1.84 C#CCOCc1ccccc1OC 34a_100000211301_100000184674 [0,0,1,0,0,0|2,0,0]=3 1246 B13R1.84 C#CCOCc1ccccc1SC 34a_100000210247_100000699184 [0,0,1,0,0,0|2,0,0]=3 1247 B13R1.84 C#CCOCc1ccccc1SC 34a_100000699167_100000184674 [0,0,1,0,0,0|2,0,0]=3 1248 B13R1.84 C#CCOCc1cccnc1OC 34a_100000210247_100020631285 [0,0,1,0,0,0|3,0,0]=4 1249 B13R1.84 C#CCOCc1cccnc1OC 34a_100000717863_100000184674 [0,0,1,0,0,0|3,0,0]=4 1250 B13R1.84 C#CCOCc1ncccc1OC 34a_100011998681_100000184674 [0,0,1,0,0,0|3,0,0]=4 1251 B13R1.84 C#CCSCc1ccccc1C#N 62a_100000038162_100000181865 [0,0,1,0,0,0|2,0,1]=4 1252 B13R1.84 C#CCSCc1ccccc1C=O 62a_100000038162_200009853537 [0,0,1,0,0,0|2,0,1]=4 1253 B13R1.84 C#CCSCc1ccccc1CO 62a_100000038162_100009816955 [0,0,1,0,0,0|2,0,0]=3 1254 B13R1.84 C#CCSCc1ccccc1OC 62a_100000038162_100000210004 [0,0,1,0,0,0|2,0,0]=3 1255 B13R1.84 C#CCSCc1ccccc1SC 62a_100000038162_100000699184 [0,0,1,0,0,0|2,0,0]=3 1256 B13R1.84 C#CCSCc1cccnc1OC 62a_100000038162_100020631285 [0,0,1,0,0,0|3,0,0]=4 1257 B13R1.84 C#CCSCc1ccncc1OC 62a_100000038162_100020635607 [0,0,1,0,0,0|3,0,0]=4 1258 B13R1.84 C=CCNCc1ccccc1CC 270004a_100020586998_100011219594 [0,0,1,0,0,0|0,0,2]=3 1259 B13R1.84 C=CCNCc1ccccc1CO 2230a_100020586998_100009816955 [0,0,1,0,0,0|1,0,2]=4 1260 B13R1.84 C=CCNCc1ccccc1OC 2230a_100020586998_100000210004 [0,0,1,0,0,0|1,0,2]=4 1261 B13R1.84 C=CCNCc1ccccc1OC 270004a_100020586998_100000169842 [0,0,1,0,0,0|1,0,2]=4 1262 B13R1.84 C=CCNCc1ccccc1OC 34a_100000188900_100015514636 [0,0,1,0,0,0|1,0,2]=4 1263 B13R1.84 C=CCNCc1ccccc1SC 2230a_100020586998_100000699184 [0,0,1,0,0,0|1,0,2]=4 1264 B13R1.84 C=CCNCc1ccccc1SC 270004a_100020586998_100011217347 [0,0,1,0,0,0|1,0,2]=4 1265 B13R1.84 C=CCNCc1ccccc1SC 34a_102495365025_100015514636 [0,0,1,0,0,0|1,0,2]=4 1266 B13R1.84 C=CCOCc1ccccc1CC 34a_100011663872_100015514636 [0,0,1,0,0,0|1,0,2]=4 1267 B13R1.84 C=CCOCc1ccccc1CC 7a_100011663872_100015514636 [0,0,1,0,0,0|1,0,2]=4 1268 B13R1.84 CCCNCc1ccccc1CC 207a_100020643023_100011219594 [0,0,1,0,0,0|0,0,2]=3 1269 B13R1.84 CCCNCc1ccccc1CC 270004a_100020643023_100011219594 [0,0,1,0,0,0|0,0,2]=3 1270 B13R1.84 CCCNCc1ccccc1OC 207a_100020643023_100000169842 [0,0,1,0,0,0|1,0,2]=4 1271 B13R1.84 CCCNCc1ccccc1OC 270004a_100020643023_100000169842 [0,0,1,0,0,0|1,0,2]=4 1272 B13R1.84 CCCNCc1ccccc1OC 34a_100000188900_100000210303 [0,0,1,0,0,0|1,0,2]=4 1273 B13R1.84 CCCNCc1ccccc1OC 34a_100000749093_200000210301 [0,0,1,0,0,0|1,0,2]=4 1274 B13R1.84 CCCNCc1ccccc1O[13CH3] 34a_100000749093_200025704644 [0,0,1,0,0,0|1,0,2]=4 1275 B13R1.84 CCCNCc1ccccc1SC 207a_100020643023_100011217347 [0,0,1,0,0,0|1,0,2]=4 1276 B13R1.84 CCCNCc1ccccc1SC 270004a_100020643023_100011217347 [0,0,1,0,0,0|1,0,2]=4 1277 B13R1.84 CCCNCc1ccccc1SC 34a_102495365025_100000210303 [0,0,1,0,0,0|1,0,2]=4 1278 B13R1.84 CCCNCc1ccccc1SC 62a_100000196483_200000210301 [0,0,1,0,0,0|1,0,2]=4 1279 B13R1.84 CCCNCc1ccccc1SC 62a_200000210301_100000196483 [0,0,1,0,0,0|1,0,2]=4 1280 B13R1.84 CCCNCc1ccccc1S[13CH3] 62a_100000196483_200025704644 [0,0,1,0,0,0|1,0,2]=4 1281 B13R1.84 CCCNCc1ccccc1S[13CH3] 62a_200025704644_100000196483 [0,0,1,0,0,0|1,0,2]=4 1282 B13R1.84 CCCOCc1ccccc1CC 34a_100011663872_100000210303 [0,0,1,0,0,0|1,0,2]=4 1283 B13R1.84 CCCOCc1ccccc1CC 7a_100011663872_100000210303 [0,0,1,0,0,0|1,0,2]=4 1284 B13R1.84 CCc1ccccc1CNCCO 207a_100000210304_100011219594 [0,0,1,0,0,0|1,0,1]=3 1285 B13R1.84 CCc1ccccc1CNCCO 270004a_100000210304_100011219594 [0,0,1,0,0,0|1,0,1]=3 1286 B13R1.84 CCc1ccccc1COCC#N 7a_100011663872_100011215382 [0,0,1,0,0,0|2,0,0]=3 1287 B13R1.84 CCc1ccccc1COCC=O 34a_100011663872_200009817547 [0,0,1,0,0,0|2,0,1]=4 1288 B13R1.84 CCc1ccccc1COCC=O 7a_100011663872_200015260668 [0,0,1,0,0,0|2,0,1]=4 1289 B13R1.84 CCc1ccccc1COCCF 34a_100011663872_100011217306 [0,0,1,0,0,0|2,0,1]=4 1290 B13R1.84 CCc1ccccc1COCCF 7a_100011663872_100011217306 [0,0,1,0,0,0|2,0,1]=4 1291 B13R1.84 CCc1ccccc1COCCO 34a_100011663872_100000211926 [0,0,1,0,0,0|2,0,1]=4 1292 B13R1.84 CCc1ccccc1COCCO 7a_100011663872_100000211926 [0,0,1,0,0,0|2,0,1]=4 1293 B13R1.84 CCc1ccccc1COCSC 34a_100011663872_100011218213 [0,0,1,0,0,0|2,0,1]=4 1294 B13R1.84 CCc1ccccc1NCCC#N 2230a_100000212081_100011215226 [0,0,1,0,0,0|3,0,0]=4 1295 B13R1.84 CCc1ccccc1NCCC#N 7a_100000212081_100000184422 [0,0,1,0,0,0|3,0,0]=4 1296 B13R1.84 CCc1ccccc1OCCC#N 7a_100000210936_100000184422 [0,0,1,0,0,0|3,0,0]=4 1297 B13R1.84 CCc1ccccc1SCCC#N 62a_100011215226_100011215823 [0,0,1,0,0,0|3,0,0]=4 1298 B13R1.84 CCc1ccccc1SCCC#N 62a_100011215823_100011215226 [0,0,1,0,0,0|3,0,0]=4 1299 B13R1.84 COc1ccccc1CNCC=O 34a_100000188900_200009817547 [0,0,1,0,0,0|2,0,1]=4 1300 B13R1.84 COc1ccccc1CNCCF 34a_100000188900_100011217306 [0,0,1,0,0,0|2,0,1]=4 1301 B13R1.84 COc1ccccc1CNCCF 34a_100000724931_100000210004 [0,0,1,0,0,0|2,0,1]=4 1302 B13R1.84 COc1ccccc1CNCCO 207a_100000210304_100000169842 [0,0,1,0,0,0|2,0,1]=4 1303 B13R1.84 COc1ccccc1CNCCO 2230a_100016997473_100000210004 [0,0,1,0,0,0|2,0,1]=4 1304 B13R1.84 COc1ccccc1CNCCO 270004a_100000210304_100000169842 [0,0,1,0,0,0|2,0,1]=4 1305 B13R1.84 COc1ccccc1CNCCO 34a_100000188900_100000211926 [0,0,1,0,0,0|2,0,1]=4 1306 B13R1.84 COc1ccccc1CNCCO 34a_100016990907_100000210004 [0,0,1,0,0,0|2,0,1]=4 1307 B13R1.84 COc1ccccc1CNCSC 34a_100000188900_100011218213 [0,0,1,0,0,0|2,0,1]=4 1308 B13R1.84 COc1ccccc1CSCC#N 62a_100000210004_100011215382 [0,0,1,0,0,0|3,0,0]=4 1309 B13R1.84 COc1ccccc1CSCC#N 62a_100011215382_100000210004 [0,0,1,0,0,0|3,0,0]=4 1310 B13R1.84 CSCNCc1ccccc1SC 34a_102495365025_100011218213 [0,0,1,0,0,0|2,0,1]=4 1311 B13R1.84 CSc1ccccc1CNCC=O 34a_102495365025_200009817547 [0,0,1,0,0,0|2,0,1]=4 1312 B13R1.84 CSc1ccccc1CNCCF 34a_100000724931_100000699184 [0,0,1,0,0,0|2,0,1]=4 1313 B13R1.84 CSc1ccccc1CNCCF 34a_102495365025_100011217306 [0,0,1,0,0,0|2,0,1]=4 1314 B13R1.84 CSc1ccccc1CNCCO 207a_100000210304_100011217347 [0,0,1,0,0,0|2,0,1]=4 1315 B13R1.84 CSc1ccccc1CNCCO 2230a_100016997473_100000699184 [0,0,1,0,0,0|2,0,1]=4 1316 B13R1.84 CSc1ccccc1CNCCO 270004a_100000210304_100011217347 [0,0,1,0,0,0|2,0,1]=4 1317 B13R1.84 CSc1ccccc1CNCCO 34a_100016990907_100000699184 [0,0,1,0,0,0|2,0,1]=4 1318 B13R1.84 CSc1ccccc1CNCCO 34a_102495365025_100000211926 [0,0,1,0,0,0|2,0,1]=4 1319 B13R1.84 CSc1ccccc1CNCCO 62a_106744479749_200000210301 [0,0,1,0,0,0|2,0,1]=4 1320 B13R1.84 CSc1ccccc1CNCCO 62a_200000210301_106744479749 [0,0,1,0,0,0|2,0,1]=4 1321 B13R1.84 CSc1ccccc1CSCC#N 62a_100000699184_100011215382 [0,0,1,0,0,0|3,0,0]=4 1322 B13R1.84 CSc1ccccc1CSCC#N 62a_100011215382_100000699184 [0,0,1,0,0,0|3,0,0]=4 1323 B13R1.84 N#CCOCc1ccccc1CBr 7a_100009816955_100011215382 [0,0,1,0,0,0|3,0,0]=4 1324 B13R1.84 N#CCSCc1ccccc1CO 62a_100009816955_100011215382 [0,0,1,0,0,0|3,0,0]=4 1325 B13R1.84 N#CCSCc1ccccc1CO 62a_100011215382_100009816955 [0,0,1,0,0,0|3,0,0]=4 1326 B13R1.84 OCCNCc1ccccc1CO 2230a_100016997473_100009816955 [0,0,1,0,0,0|2,0,1]=4 1327 B13R1.84 OCCNCc1ccccc1CO 34a_100016990907_100009816955 [0,0,1,0,0,0|2,0,1]=4 1328 B13R1.84 OCc1ccccc1CNCCF 34a_100000724931_100009816955 [0,0,1,0,0,0|2,0,1]=4 1329 B13R1.84 [13CH3]Sc1ccccc1CNCCO 62a_106744479749_200025704644 [0,0,1,0,0,0|2,0,1]=4 1330 B13R1.84 [13CH3]Sc1ccccc1CNCCO 62a_200025704644_106744479749 [0,0,1,0,0,0|2,0,1]=4 1331 B13R1.674 C#CCCC(=O)c1ccccc1C 1458a_100000212026_100000753159 [0,0,1,0,0,0|2,0,1]=4 1332 B13R1.674 C#CCCN(C)c1ccccc1Br 2230a_100020606079_100000688953 [0,0,1,0,0,0|3,0,0]=4 1333 B13R1.674 C#CCCN(C)c1ccccc1Br 269982a_100020606079_100000730999 [0,0,1,0,0,0|3,0,0]=4 1334 B13R1.674 C#CCCN(C)c1ccccc1Br 34a_100020606079_100000688953 [0,0,1,0,0,0|3,0,0]=4 1335 B13R1.674 C#CCCN(C)c1ccccc1C 2230a_100000219699_100000688953 [0,0,1,0,0,0|2,0,0]=3 1336 B13R1.674 C#CCCN(C)c1ccccc1C 269982a_100000219699_100000730999 [0,0,1,0,0,0|2,0,0]=3 1337 B13R1.674 C#CCCN(C)c1ccccc1C 34a_100000219699_100000688953 [0,0,1,0,0,0|2,0,0]=3 1338 B13R1.674 C#CCCN(C)c1ccccc1Cl 2230a_100000219374_100000688953 [0,0,1,0,0,0|3,0,0]=4 1339 B13R1.674 C#CCCN(C)c1ccccc1Cl 269982a_100000219374_100000730999 [0,0,1,0,0,0|3,0,0]=4 1340 B13R1.674 C#CCCN(C)c1ccccc1Cl 34a_100000219374_100000688953 [0,0,1,0,0,0|3,0,0]=4 1341 B13R1.674 C#CCCN(C)c1ccccc1F 2230a_100000220357_100000688953 [0,0,1,0,0,0|3,0,0]=4 1342 B13R1.674 C#CCCN(C)c1ccccc1F 269982a_100000220357_100000730999 [0,0,1,0,0,0|3,0,0]=4 1343 B13R1.674 C#CCCN(C)c1ccccc1F 34a_100000220357_100000688953 [0,0,1,0,0,0|3,0,0]=4 1344 B13R1.674 C#CCCN(C)c1ccccc1O 269982a_100000033821_100000730999 [0,0,1,0,0,0|3,0,0]=4 1345 B13R1.674 C#CCNC(=O)c1ccccc1Br 11a_100000212058_100000188424 [0,0,1,0,0,0|2,0,1]=4 1346 B13R1.674 C#CCNC(=O)c1ccccc1Br 1626a_100000212058_100000188424 [0,0,1,0,0,0|2,0,1]=4 1347 B13R1.674 C#CCNC(=O)c1ccccc1Br 240690a_100000212058_100000188424 [0,0,1,0,0,0|2,0,1]=4 1348 B13R1.674 C#CCNC(=O)c1ccccc1Br 527a_100000212058_100000188424 [0,0,1,0,0,0|2,0,1]=4 1349 B13R1.674 C#CCNC(=O)c1ccccc1C 11a_100000212058_100000212026 [0,0,1,0,0,0|1,0,1]=3 1350 B13R1.674 C#CCNC(=O)c1ccccc1C 1626a_100000212058_100000212026 [0,0,1,0,0,0|1,0,1]=3 1351 B13R1.674 C#CCNC(=O)c1ccccc1C 240690a_100000212058_100000212026 [0,0,1,0,0,0|1,0,1]=3 1352 B13R1.674 C#CCNC(=O)c1ccccc1C 527a_100000212058_100000212026 [0,0,1,0,0,0|1,0,1]=3 1353 B13R1.674 C#CCNC(=O)c1ccccc1Cl 11a_100000212058_100000185844 [0,0,1,0,0,0|2,0,1]=4 1354 B13R1.674 C#CCNC(=O)c1ccccc1Cl 1626a_100000212058_100000185844 [0,0,1,0,0,0|2,0,1]=4 1355 B13R1.674 C#CCNC(=O)c1ccccc1Cl 240690a_100000212058_100000185844 [0,0,1,0,0,0|2,0,1]=4 1356 B13R1.674 C#CCNC(=O)c1ccccc1Cl 527a_100000212058_100000185844 [0,0,1,0,0,0|2,0,1]=4 1357 B13R1.674 C#CCNC(=O)c1ccccc1F 11a_100000212058_100000188656 [0,0,1,0,0,0|2,0,1]=4 1358 B13R1.674 C#CCNC(=O)c1ccccc1F 1626a_100000212058_100000188656 [0,0,1,0,0,0|2,0,1]=4 1359 B13R1.674 C#CCNC(=O)c1ccccc1F 240690a_100000212058_100000188656 [0,0,1,0,0,0|2,0,1]=4 1360 B13R1.674 C#CCNC(=O)c1ccccc1F 527a_100000212058_100000188656 [0,0,1,0,0,0|2,0,1]=4 1361 B13R1.674 C#CCNC(=O)c1ccccc1I 11a_100000212058_100000187884 [0,0,1,0,0,0|2,0,1]=4 1362 B13R1.674 C#CCNC(=O)c1ccccc1I 1626a_100000212058_100000187884 [0,0,1,0,0,0|2,0,1]=4 1363 B13R1.674 C#CCNC(=O)c1ccccc1I 240690a_100000212058_100000187884 [0,0,1,0,0,0|2,0,1]=4 1364 B13R1.674 C#CCNC(=O)c1ccccc1I 527a_100000212058_100000187884 [0,0,1,0,0,0|2,0,1]=4 1365 B13R1.674 C#CCNC(=O)c1ccccc1O 240690a_100000212058_100015234032 [0,0,1,0,0,0|2,0,1]=4 1366 B13R1.674 C#CCNC(=O)c1ccccc1[O-] 1626a_100000212058_100009911694 [0,0,1,0,0,0|2,0,1]=4 1367 B13R1.674 C#CCNC(=O)c1ccccc1[O-] 240690a_100000212058_100009911694 [0,0,1,0,0,0|2,0,1]=4 1368 B13R1.674 C#CCNC(=O)c1ccccc1[O-] 527a_100000212058_100009911694 [0,0,1,0,0,0|2,0,1]=4 1369 B13R1.674 C#CCNC(C)c1ccccc1Br 2230a_100000181357_100000038162 [0,0,1,0,0,0|1,0,0]=2 1370 B13R1.674 C#CCNC(C)c1ccccc1C 2230a_100000181355_100000038162 [0,0,1,0,0,0|0,0,0]=1 1371 B13R1.674 C#CCNC(C)c1ccccc1C 34a_100000181355_100000184674 [0,0,1,0,0,0|0,0,0]=1 1372 B13R1.674 C#CCNC(C)c1ccccc1Cl 2230a_100000174978_100000038162 [0,0,1,0,0,0|1,0,0]=2 1373 B13R1.674 C#CCNC(C)c1ccccc1Cl 34a_100000174978_100000184674 [0,0,1,0,0,0|1,0,0]=2 1374 B13R1.674 C#CCNC(C)c1ccccc1F 2230a_100000181408_100000038162 [0,0,1,0,0,0|1,0,0]=2 1375 B13R1.674 C#CCNC(C)c1ccccc1F 34a_100000181408_100000184674 [0,0,1,0,0,0|1,0,0]=2 1376 B13R1.674 C#CCNC(C)c1ccccc1F 34a_100000212058_200000741388 [0,0,1,0,0,0|1,0,0]=2 1377 B13R1.674 C#CCNC(C)c1cccnc1O 2230a_100159269580_100000038162 [0,0,1,0,0,0|2,0,0]=3 1378 B13R1.674 C#CCNC(C)c1ncccc1Br 2230a_100159271932_100000038162 [0,0,1,0,0,0|2,0,0]=3 1379 B13R1.674 C#CCNC(C)c1ncccc1C 2230a_100011536111_100000038162 [0,0,1,0,0,0|1,0,0]=2 1380 B13R1.674 C#CCN[C@H](C)c1ccccc1O 2230a_100025703389_100000038162 [0,0,1,0,0,0|1,0,0]=2 1381 B13R1.674 C#CCOC(C)c1ccccc1Br 34a_100000702211_100000184674 [0,0,1,0,0,0|2,0,0]=3 1382 B13R1.674 C#CCOC(C)c1ccccc1Br 7a_100000702211_100000038162 [0,0,1,0,0,0|2,0,0]=3 1383 B13R1.674 C#CCOC(C)c1ccccc1C 34a_100000742021_100000184674 [0,0,1,0,0,0|1,0,0]=2 1384 B13R1.674 C#CCOC(C)c1ccccc1C 7a_100000742021_100000038162 [0,0,1,0,0,0|1,0,0]=2 1385 B13R1.674 C#CCOC(C)c1ccccc1Cl 34a_100000740796_100000184674 [0,0,1,0,0,0|2,0,0]=3 1386 B13R1.674 C#CCOC(C)c1ccccc1Cl 7a_100000740796_100000038162 [0,0,1,0,0,0|2,0,0]=3 1387 B13R1.674 C#CCOC(C)c1ccccc1F 34a_100000210247_200000741388 [0,0,1,0,0,0|2,0,0]=3 1388 B13R1.674 C#CCOC(C)c1ccccc1F 34a_100000697922_100000184674 [0,0,1,0,0,0|2,0,0]=3 1389 B13R1.674 C#CCOC(C)c1ccccc1F 7a_100000697922_100000038162 [0,0,1,0,0,0|2,0,0]=3 1390 B13R1.674 C#CCOC(C)c1ccccc1N 7a_100011405641_100000038162 [0,0,1,0,0,0|2,0,0]=3 1391 B13R1.674 C#CCOC(C)c1cccnc1Cl 34a_100009865335_100000184674 [0,0,1,0,0,0|3,0,0]=4 1392 B13R1.674 C#CCOC(C)c1cccnc1Cl 7a_100009865335_100000038162 [0,0,1,0,0,0|3,0,0]=4 1393 B13R1.674 C#CCOC(C)c1ccncc1F 34a_100012180158_100000184674 [0,0,1,0,0,0|3,0,0]=4 1394 B13R1.674 C#CCO[C@@H](C)c1ncccc1Br 7a_100013325542_100000038162 [0,0,1,0,0,0|3,0,0]=4 1395 B13R1.674 C#CCSC(C)c1ccccc1Cl 62a_100000038162_100000181259 [0,0,1,0,0,0|2,0,0]=3 1396 B13R1.674 C#CCSC(C)c1ccccc1F 62a_100000038162_200000741388 [0,0,1,0,0,0|2,0,0]=3 1397 B13R1.674 C=CCNC(C)c1ccccc1Br 2230a_100000181357_100000210623 [0,0,1,0,0,0|1,0,2]=4 1398 B13R1.674 C=CCNC(C)c1ccccc1C 2230a_100000181355_100000210623 [0,0,1,0,0,0|0,0,2]=3 1399 B13R1.674 C=CCNC(C)c1ccccc1C 34a_100000181355_100015514636 [0,0,1,0,0,0|0,0,2]=3 1400 B13R1.674 C=CCNC(C)c1ccccc1Cl 2230a_100000174978_100000210623 [0,0,1,0,0,0|1,0,2]=4 1401 B13R1.674 C=CCNC(C)c1ccccc1Cl 2230a_100020586998_100000181259 [0,0,1,0,0,0|1,0,2]=4 1402 B13R1.674 C=CCNC(C)c1ccccc1Cl 34a_100000174978_100015514636 [0,0,1,0,0,0|1,0,2]=4 1403 B13R1.674 C=CCNC(C)c1ccccc1F 2230a_100000181408_100000210623 [0,0,1,0,0,0|1,0,2]=4 1404 B13R1.674 C=CCNC(C)c1ccccc1F 2230a_100020586998_200000741388 [0,0,1,0,0,0|1,0,2]=4 1405 B13R1.674 C=CCNC(C)c1ccccc1F 34a_100000181408_100015514636 [0,0,1,0,0,0|1,0,2]=4 1406 B13R1.674 C=CCNC(C)c1ncccc1C 2230a_100011536111_100000210623 [0,0,1,0,0,0|1,0,2]=4 1407 B13R1.674 C=CCN[C@H](C)c1ccccc1O 2230a_100025703389_100000210623 [0,0,1,0,0,0|1,0,2]=4 1408 B13R1.674 C=CCOC(C)c1ccccc1C 34a_100000742021_100015514636 [0,0,1,0,0,0|1,0,2]=4 1409 B13R1.674 C=CCOC(C)c1ccccc1C 7a_100000742021_100015514636 [0,0,1,0,0,0|1,0,2]=4 1410 B13R1.674 CC(NCC#N)c1ccccc1Br 2230a_100000181357_100011215382 [0,0,1,0,0,0|2,0,0]=3 1411 B13R1.674 CC(NCC#N)c1ccccc1Cl 2230a_100000174978_100011215382 [0,0,1,0,0,0|2,0,0]=3 1412 B13R1.674 CC(NCC#N)c1ccccc1F 2230a_100000181408_100011215382 [0,0,1,0,0,0|2,0,0]=3 1413 B13R1.674 CC(NCC#N)c1cccnc1O 2230a_100159269580_100011215382 [0,0,1,0,0,0|3,0,0]=4 1414 B13R1.674 CC(NCC#N)c1ncccc1Br 2230a_100159271932_100011215382 [0,0,1,0,0,0|3,0,0]=4 1415 B13R1.674 CC(NCC=O)c1ccccc1Br 2230a_100000181357_200015260668 [0,0,1,0,0,0|2,0,1]=4 1416 B13R1.674 CC(NCC=O)c1ccccc1Cl 2230a_100000174978_200015260668 [0,0,1,0,0,0|2,0,1]=4 1417 B13R1.674 CC(NCC=O)c1ccccc1Cl 34a_100000174978_200009817547 [0,0,1,0,0,0|2,0,1]=4 1418 B13R1.674 CC(NCC=O)c1ccccc1F 2230a_100000181408_200015260668 [0,0,1,0,0,0|2,0,1]=4 1419 B13R1.674 CC(NCC=O)c1ccccc1F 34a_100000181408_200009817547 [0,0,1,0,0,0|2,0,1]=4 1420 B13R1.674 CC(NCCF)c1ccccc1Br 2230a_100000181357_100011217306 [0,0,1,0,0,0|2,0,1]=4 1421 B13R1.674 CC(NCCF)c1ccccc1Br 269862a_100000724931_100000187085 [0,0,1,0,0,0|2,0,1]=4 1422 B13R1.674 CC(NCCF)c1ccccc1Cl 2230a_100000174978_100011217306 [0,0,1,0,0,0|2,0,1]=4 1423 B13R1.674 CC(NCCF)c1ccccc1Cl 269862a_100000724931_100000210134 [0,0,1,0,0,0|2,0,1]=4 1424 B13R1.674 CC(NCCF)c1ccccc1Cl 34a_100000174978_100011217306 [0,0,1,0,0,0|2,0,1]=4 1425 B13R1.674 CC(NCCF)c1ccccc1F 2230a_100000181408_100011217306 [0,0,1,0,0,0|2,0,1]=4 1426 B13R1.674 CC(NCCF)c1ccccc1F 269862a_100000724931_100000210632 [0,0,1,0,0,0|2,0,1]=4 1427 B13R1.674 CC(NCCF)c1ccccc1F 34a_100000181408_100011217306 [0,0,1,0,0,0|2,0,1]=4 1428 B13R1.674 CC(NCCF)c1ccccc1F 34a_100000724931_200000741388 [0,0,1,0,0,0|2,0,1]=4 1429 B13R1.674 CC(NCCF)c1ccccc1I 269862a_100000724931_100000751169 [0,0,1,0,0,0|2,0,1]=4 1430 B13R1.674 CC(NCCO)c1ccccc1Br 2230a_100000181357_100000211926 [0,0,1,0,0,0|2,0,1]=4 1431 B13R1.674 CC(NCCO)c1ccccc1Br 269862a_100000210304_100000187085 [0,0,1,0,0,0|2,0,1]=4 1432 B13R1.674 CC(NCCO)c1ccccc1Cl 2230a_100000174978_100000211926 [0,0,1,0,0,0|2,0,1]=4 1433 B13R1.674 CC(NCCO)c1ccccc1Cl 2230a_100016997473_100000181259 [0,0,1,0,0,0|2,0,1]=4 1434 B13R1.674 CC(NCCO)c1ccccc1Cl 269862a_100000210304_100000210134 [0,0,1,0,0,0|2,0,1]=4 1435 B13R1.674 CC(NCCO)c1ccccc1Cl 34a_100000174978_100000211926 [0,0,1,0,0,0|2,0,1]=4 1436 B13R1.674 CC(NCCO)c1ccccc1F 2230a_100000181408_100000211926 [0,0,1,0,0,0|2,0,1]=4 1437 B13R1.674 CC(NCCO)c1ccccc1F 2230a_100016997473_200000741388 [0,0,1,0,0,0|2,0,1]=4 1438 B13R1.674 CC(NCCO)c1ccccc1F 269862a_100000210304_100000210632 [0,0,1,0,0,0|2,0,1]=4 1439 B13R1.674 CC(NCCO)c1ccccc1F 34a_100000181408_100000211926 [0,0,1,0,0,0|2,0,1]=4 1440 B13R1.674 CC(NCCO)c1ccccc1F 34a_100016990907_200000741388 [0,0,1,0,0,0|2,0,1]=4 1441 B13R1.674 CC(NCCO)c1ccccc1I 269862a_100000210304_100000751169 [0,0,1,0,0,0|2,0,1]=4 1442 B13R1.674 CC(OCC#N)c1ccccc1Br 7a_100000702211_100011215382 [0,0,1,0,0,0|3,0,0]=4 1443 B13R1.674 CC(OCC#N)c1ccccc1Cl 7a_100000740796_100011215382 [0,0,1,0,0,0|3,0,0]=4 1444 B13R1.674 CC(OCC#N)c1ccccc1F 7a_100000697922_100011215382 [0,0,1,0,0,0|3,0,0]=4 1445 B13R1.674 CC(OCC#N)c1ccccc1N 7a_100011405641_100011215382 [0,0,1,0,0,0|3,0,0]=4 1446 B13R1.674 CC(SCC#N)c1ccccc1Cl 62a_100000181259_100011215382 [0,0,1,0,0,0|3,0,0]=4 1447 B13R1.674 CC(SCC#N)c1ccccc1Cl 62a_100011215382_100000181259 [0,0,1,0,0,0|3,0,0]=4 1448 B13R1.674 CC(SCC#N)c1ccccc1F 62a_100011215382_200000741388 [0,0,1,0,0,0|3,0,0]=4 1449 B13R1.674 CC(SCC#N)c1ccccc1F 62a_200000741388_100011215382 [0,0,1,0,0,0|3,0,0]=4 1450 B13R1.674 CCCNC(C)c1ccccc1Br 2230a_100000181357_100000210303 [0,0,1,0,0,0|1,0,2]=4 1451 B13R1.674 CCCNC(C)c1ccccc1Br 269862a_100020643023_100000187085 [0,0,1,0,0,0|1,0,2]=4 1452 B13R1.674 CCCNC(C)c1ccccc1C 2230a_100000181355_100000210303 [0,0,1,0,0,0|0,0,2]=3 1453 B13R1.674 CCCNC(C)c1ccccc1C 269862a_100020643023_100000211656 [0,0,1,0,0,0|0,0,2]=3 1454 B13R1.674 CCCNC(C)c1ccccc1C 34a_100000181355_100000210303 [0,0,1,0,0,0|0,0,2]=3 1455 B13R1.674 CCCNC(C)c1ccccc1Cl 2230a_100000174978_100000210303 [0,0,1,0,0,0|1,0,2]=4 1456 B13R1.674 CCCNC(C)c1ccccc1Cl 269862a_100020643023_100000210134 [0,0,1,0,0,0|1,0,2]=4 1457 B13R1.674 CCCNC(C)c1ccccc1Cl 34a_100000174978_100000210303 [0,0,1,0,0,0|1,0,2]=4 1458 B13R1.674 CCCNC(C)c1ccccc1F 2230a_100000181408_100000210303 [0,0,1,0,0,0|1,0,2]=4 1459 B13R1.674 CCCNC(C)c1ccccc1F 269862a_100020643023_100000210632 [0,0,1,0,0,0|1,0,2]=4 1460 B13R1.674 CCCNC(C)c1ccccc1F 34a_100000181408_100000210303 [0,0,1,0,0,0|1,0,2]=4 1461 B13R1.674 CCCNC(C)c1ccccc1I 269862a_100020643023_100000751169 [0,0,1,0,0,0|1,0,2]=4 1462 B13R1.674 CCCNC(C)c1ccccc1O 271570a_203496583355_100000741022 [0,0,1,0,0,0|1,0,2]=4 1463 B13R1.674 CCCNC(C)c1cccnc1C 269862a_100020643023_100011995960 [0,0,1,0,0,0|1,0,2]=4 1464 B13R1.674 CCCNC(C)c1cnccc1C 269862a_100020643023_100000693228 [0,0,1,0,0,0|1,0,2]=4 1465 B13R1.674 CCCNC(C)c1ncccc1C 2230a_100011536111_100000210303 [0,0,1,0,0,0|1,0,2]=4 1466 B13R1.674 CCCNC(C)c1ncccc1C 269862a_100020643023_100011536074 [0,0,1,0,0,0|1,0,2]=4 1467 B13R1.674 CCCN[C@H](C)c1ccccc1O 2230a_100025703389_100000210303 [0,0,1,0,0,0|1,0,2]=4 1468 B13R1.674 CCCOC(C)c1ccccc1C 34a_100000742021_100000210303 [0,0,1,0,0,0|1,0,2]=4 1469 B13R1.674 CCCOC(C)c1ccccc1C 7a_100000742021_100000210303 [0,0,1,0,0,0|1,0,2]=4 1470 B13R1.674 COCNC(C)c1ccccc1Br 2230a_100000181357_100000766300 [0,0,1,0,0,0|2,0,1]=4 1471 B13R1.674 COCNC(C)c1ccccc1C 2230a_100000181355_100000766300 [0,0,1,0,0,0|1,0,1]=3 1472 B13R1.674 COCNC(C)c1ccccc1Cl 2230a_100000174978_100000766300 [0,0,1,0,0,0|2,0,1]=4 1473 B13R1.674 COCNC(C)c1ccccc1F 2230a_100000181408_100000766300 [0,0,1,0,0,0|2,0,1]=4 1474 B13R1.674 COCNC(C)c1ncccc1C 2230a_100011536111_100000766300 [0,0,1,0,0,0|2,0,1]=4 1475 B13R1.674 COCN[C@H](C)c1ccccc1O 2230a_100025703389_100000766300 [0,0,1,0,0,0|2,0,1]=4 1476 B13R1.674 CSCNC(C)c1ccccc1Br 2230a_100000181357_100011218213 [0,0,1,0,0,0|2,0,1]=4 1477 B13R1.674 CSCNC(C)c1ccccc1C 2230a_100000181355_100011218213 [0,0,1,0,0,0|1,0,1]=3 1478 B13R1.674 CSCNC(C)c1ccccc1C 34a_100000181355_100011218213 [0,0,1,0,0,0|1,0,1]=3 1479 B13R1.674 CSCNC(C)c1ccccc1Cl 2230a_100000174978_100011218213 [0,0,1,0,0,0|2,0,1]=4 1480 B13R1.674 CSCNC(C)c1ccccc1Cl 34a_100000174978_100011218213 [0,0,1,0,0,0|2,0,1]=4 1481 B13R1.674 CSCNC(C)c1ccccc1F 2230a_100000181408_100011218213 [0,0,1,0,0,0|2,0,1]=4 1482 B13R1.674 CSCNC(C)c1ccccc1F 34a_100000181408_100011218213 [0,0,1,0,0,0|2,0,1]=4 1483 B13R1.674 CSCNC(C)c1ncccc1C 2230a_100011536111_100011218213 [0,0,1,0,0,0|2,0,1]=4 1484 B13R1.674 CSCN[C@H](C)c1ccccc1O 2230a_100025703389_100011218213 [0,0,1,0,0,0|2,0,1]=4 1485 B13R1.674 CSCOC(C)c1ccccc1C 34a_100000742021_100011218213 [0,0,1,0,0,0|2,0,1]=4 1486 B13R1.674 C[C@@H](NCC#N)c1ccccc1O 2230a_100025703389_100011215382 [0,0,1,0,0,0|2,0,0]=3 1487 B13R1.674 C[C@@H](NCC=O)c1ccccc1O 2230a_100025703389_200015260668 [0,0,1,0,0,0|2,0,1]=4 1488 B13R1.674 C[C@@H](NCCF)c1ccccc1O 2230a_100025703389_100011217306 [0,0,1,0,0,0|2,0,1]=4 1489 B13R1.674 C[C@@H](NCCO)c1ccccc1O 2230a_100025703389_100000211926 [0,0,1,0,0,0|2,0,1]=4 1490 B13R1.674 Cc1ccccc1C(=O)NCC#N 1626a_100000734998_100000212026 [0,0,1,0,0,0|2,0,1]=4 1491 B13R1.674 Cc1ccccc1C(=O)NCC#N 527a_100000734998_100000212026 [0,0,1,0,0,0|2,0,1]=4 1492 B13R1.674 Cc1ccccc1C(C)NCC#N 2230a_100000181355_100011215382 [0,0,1,0,0,0|1,0,0]=2 1493 B13R1.674 Cc1ccccc1C(C)NCC=O 2230a_100000181355_200015260668 [0,0,1,0,0,0|1,0,1]=3 1494 B13R1.674 Cc1ccccc1C(C)NCC=O 34a_100000181355_200009817547 [0,0,1,0,0,0|1,0,1]=3 1495 B13R1.674 Cc1ccccc1C(C)NCCF 2230a_100000181355_100011217306 [0,0,1,0,0,0|1,0,1]=3 1496 B13R1.674 Cc1ccccc1C(C)NCCF 269862a_100000724931_100000211656 [0,0,1,0,0,0|1,0,1]=3 1497 B13R1.674 Cc1ccccc1C(C)NCCF 34a_100000181355_100011217306 [0,0,1,0,0,0|1,0,1]=3 1498 B13R1.674 Cc1ccccc1C(C)NCCO 2230a_100000181355_100000211926 [0,0,1,0,0,0|1,0,1]=3 1499 B13R1.674 Cc1ccccc1C(C)NCCO 269862a_100000210304_100000211656 [0,0,1,0,0,0|1,0,1]=3 1500 B13R1.674 Cc1ccccc1C(C)NCCO 34a_100000181355_100000211926 [0,0,1,0,0,0|1,0,1]=3 1501 B13R1.674 Cc1ccccc1C(C)OCC#N 7a_100000742021_100011215382 [0,0,1,0,0,0|2,0,0]=3 1502 B13R1.674 Cc1ccccc1C(C)OCC=O 34a_100000742021_200009817547 [0,0,1,0,0,0|2,0,1]=4 1503 B13R1.674 Cc1ccccc1C(C)OCC=O 7a_100000742021_200015260668 [0,0,1,0,0,0|2,0,1]=4 1504 B13R1.674 Cc1ccccc1C(C)OCCF 34a_100000742021_100011217306 [0,0,1,0,0,0|2,0,1]=4 1505 B13R1.674 Cc1ccccc1C(C)OCCF 7a_100000742021_100011217306 [0,0,1,0,0,0|2,0,1]=4 1506 B13R1.674 Cc1ccccc1C(C)OCCO 34a_100000742021_100000211926 [0,0,1,0,0,0|2,0,1]=4 1507 B13R1.674 Cc1ccccc1C(C)OCCO 7a_100000742021_100000211926 [0,0,1,0,0,0|2,0,1]=4 1508 B13R1.674 Cc1ccccc1N(C)CCC#N 2230a_100000219699_100011215226 [0,0,1,0,0,0|3,0,0]=4 1509 B13R1.674 Cc1ccccc1N(C)CCC#N 269982a_100000219699_100011215226 [0,0,1,0,0,0|3,0,0]=4 1510 B13R1.674 Cc1cccnc1C(C)NCC#N 2230a_100011536111_100011215382 [0,0,1,0,0,0|2,0,0]=3 1511 B13R1.674 Cc1cccnc1C(C)NCC=O 2230a_100011536111_200015260668 [0,0,1,0,0,0|2,0,1]=4 1512 B13R1.674 Cc1cccnc1C(C)NCCF 2230a_100011536111_100011217306 [0,0,1,0,0,0|2,0,1]=4 1513 B13R1.674 Cc1cccnc1C(C)NCCF 269862a_100000724931_100011536074 [0,0,1,0,0,0|2,0,1]=4 1514 B13R1.674 Cc1cccnc1C(C)NCCO 2230a_100011536111_100000211926 [0,0,1,0,0,0|2,0,1]=4 1515 B13R1.674 Cc1cccnc1C(C)NCCO 269862a_100000210304_100011536074 [0,0,1,0,0,0|2,0,1]=4 1516 B13R1.674 Cc1ccncc1C(C)NCCF 269862a_100000724931_100000693228 [0,0,1,0,0,0|2,0,1]=4 1517 B13R1.674 Cc1ccncc1C(C)NCCO 269862a_100000210304_100000693228 [0,0,1,0,0,0|2,0,1]=4 1518 B13R1.674 Cc1ncccc1C(C)NCCF 269862a_100000724931_100011995960 [0,0,1,0,0,0|2,0,1]=4 1519 B13R1.674 Cc1ncccc1C(C)NCCO 269862a_100000210304_100011995960 [0,0,1,0,0,0|2,0,1]=4 1520 B15R3.1736 c1ccc2c(c1)CCC2N3CCC3 269982a_100000754969_200000721974 [0,0,0,1,0,0|0,0,2]=3 1521 B15R3.1737 c1ccc2c(c1)CCC2OC3CC3 34a_100000212247_100000211595 [0,0,0,1,0,0|1,0,2]=4 1522 B15R3.1737 c1ccc2c(c1)CC[C@@H]2NC3CC3 34a_100016989578_100000211595 [0,0,0,1,0,0|0,0,2]=3 1523 B13R2.468 C#CCOC1CCn2c1ncc2 7a_100009824360_100000038162 [0,0,0,0,1,0|3,0,0]=4 1524 B13R2.468 CCCNC1CCc2c1ccs2 269862a_100020643023_100000011361 [0,0,0,0,1,0|1,0,2]=4 1525 B13R2.468 CCCNC1CCc2c1scc2 269862a_100020643023_100000080523 [0,0,0,0,1,0|1,0,2]=4 1526 B13R2.468 FCCNC1CCc2c1ccs2 269862a_100000724931_100000011361 [0,0,0,0,1,0|2,0,1]=4 1527 B13R2.468 FCCNC1CCc2c1scc2 269862a_100000724931_100000080523 [0,0,0,0,1,0|2,0,1]=4 1528 B13R2.468 OCCNC1CCc2c1ccs2 269862a_100000210304_100000011361 [0,0,0,0,1,0|2,0,1]=4 1529 B13R2.468 OCCNC1CCc2c1scc2 269862a_100000210304_100000080523 [0,0,0,0,1,0|2,0,1]=4 1530 B13R2.1028 C#CCSC1Cc2c1cccc2 62a_100000038162_100009813401 [0,0,0,0,1,0|1,0,0]=2 1531 B13R2.1028 C=CCSC1Cc2c1cccc2 62a_100000210623_100009813401 [0,0,0,0,1,0|1,0,2]=4 1532 B13R2.1028 C=CCSC1Cc2c1cccc2 62a_100009813401_100000210623 [0,0,0,0,1,0|1,0,2]=4 1533 B13R2.1028 CCCSC1Cc2c1cccc2 62a_100000210303_100009813401 [0,0,0,0,1,0|1,0,2]=4 1534 B13R2.1028 CCCSC1Cc2c1cccc2 62a_100009813401_100000210303 [0,0,0,0,1,0|1,0,2]=4 1535 B13R2.1028 COCSC1Cc2c1cccc2 62a_100000766300_100009813401 [0,0,0,0,1,0|2,0,1]=4 1536 B13R2.1028 COCSC1Cc2c1cccc2 62a_100009813401_100000766300 [0,0,0,0,1,0|2,0,1]=4 1537 B13R2.1028 CSCSC1Cc2c1cccc2 62a_100009813401_100011218213 [0,0,0,0,1,0|2,0,1]=4 1538 B13R2.1028 CSCSC1Cc2c1cccc2 62a_100011218213_100009813401 [0,0,0,0,1,0|2,0,1]=4 1539 B13R2.1028 FCCSC1Cc2c1cccc2 62a_100009813401_100011217306 [0,0,0,0,1,0|2,0,1]=4 1540 B13R2.1028 FCCSC1Cc2c1cccc2 62a_100011217306_100009813401 [0,0,0,0,1,0|2,0,1]=4 1541 B13R2.1028 N#CCSC1Cc2c1cccc2 62a_100009813401_100011215382 [0,0,0,0,1,0|2,0,0]=3 1542 B13R2.1028 N#CCSC1Cc2c1cccc2 62a_100011215382_100009813401 [0,0,0,0,1,0|2,0,0]=3 1543 B13R2.1028 O=CCSC1Cc2c1cccc2 62a_100009813401_200015260668 [0,0,0,0,1,0|2,0,1]=4 1544 B13R2.1028 O=CCSC1Cc2c1cccc2 62a_200015260668_100009813401 [0,0,0,0,1,0|2,0,1]=4 1545 B13R2.1028 OCCSC1Cc2c1cccc2 62a_100000211926_100009813401 [0,0,0,0,1,0|2,0,1]=4 1546 B13R2.1028 OCCSC1Cc2c1cccc2 62a_100009813401_100000211926 [0,0,0,0,1,0|2,0,1]=4 1547 B15R2.352 C#CCCN1CCc2ccccc2C1 2230a_100000188457_100000688953 [0,0,0,0,0,1|2,0,0]=3 1548 B15R2.352 C#CCCN1CCc2ccccc2C1 269982a_100000188457_100000730999 [0,0,0,0,0,1|2,0,0]=3 1549 B15R2.352 C#CCCN1CCc2ccccc2C1 34a_100000188457_100000688953 [0,0,0,0,0,1|2,0,0]=3 1550 B15R2.352 C#CCCN1CCc2cccnc2C1 2230a_100015206102_100000688953 [0,0,0,0,0,1|3,0,0]=4 1551 B15R2.352 C#CCCN1CCc2cccnc2C1 269982a_100015206102_100000730999 [0,0,0,0,0,1|3,0,0]=4 1552 B15R2.352 C#CCCN1CCc2ccncc2C1 2230a_100015190008_100000688953 [0,0,0,0,0,1|3,0,0]=4 1553 B15R2.352 C#CCCN1CCc2ccncc2C1 269982a_100015190008_100000730999 [0,0,0,0,0,1|3,0,0]=4 1554 B15R2.352 C#CCCN1CCc2cnccc2C1 2230a_100020645890_100000688953 [0,0,0,0,0,1|3,0,0]=4 1555 B15R2.352 C#CCCN1CCc2cnccc2C1 269982a_100020645890_100000730999 [0,0,0,0,0,1|3,0,0]=4 1556 B15R2.352 C#CCCN1CCc2ncccc2C1 2230a_100000699647_100000688953 [0,0,0,0,0,1|3,0,0]=4 1557 B15R2.352 C#CCCN1CCc2ncccc2C1 269982a_100000699647_100000730999 [0,0,0,0,0,1|3,0,0]=4 1558 B15R2.352 C#CCNC1CCc2ccccc2C1 2230a_100000748446_100000038162 [0,0,0,0,0,1|0,0,0]=1 1559 B15R2.352 C#CCNC1CCc2ccccc2C1 34a_100000748446_100000184674 [0,0,0,0,0,1|0,0,0]=1 1560 B15R2.352 C#CCNC1COc2ccccc2C1 2230a_100000739546_100000038162 [0,0,0,0,0,1|1,0,0]=2 1561 B15R2.352 C#CCNc1ccc2ccccc2c1 34a_100000211940_100000184674 [0,0,0,0,0,1|0,0,3]=4 1562 B15R2.352 C#CCNc1ccc2ccccc2c1 7a_100000211940_100000038162 [0,0,0,0,0,1|0,0,3]=4 1563 B15R2.352 C#CCNc1ccc2ccccc2n1 27a_100000212058_100011291633 [0,0,0,0,0,1|0,0,3]=4 1564 B15R2.352 C#CCNc1cnc2ccccc2n1 27a_100000212058_100000756483 [0,0,0,0,0,1|1,0,2]=4 1565 B15R2.352 C#CCNc1ncc2ccccc2n1 27a_100000212058_100000097389 [0,0,0,0,0,1|1,0,2]=4 1566 B15R2.352 C#CCOC1CCc2ccccc2C1 34a_100011216300_100000184674 [0,0,0,0,0,1|1,0,0]=2 1567 B15R2.352 C#CCOC1CCc2ccccc2C1 7a_100011216300_100000038162 [0,0,0,0,0,1|1,0,0]=2 1568 B15R2.352 C#CCOC1Cc2ccccc2CO1 34a_200000095866_100000184674 [0,0,0,0,0,1|2,0,0]=3 1569 B15R2.352 C=CCNC1CCc2ccccc2C1 2230a_100000748446_100000210623 [0,0,0,0,0,1|0,0,2]=3 1570 B15R2.352 C=CCNC1CCc2ccccc2C1 270004a_100020586998_100000212018 [0,0,0,0,0,1|0,0,2]=3 1571 B15R2.352 C=CCNC1CCc2ccccc2C1 34a_100000748446_100015514636 [0,0,0,0,0,1|0,0,2]=3 1572 B15R2.352 C=CCNC1COc2ccccc2C1 2230a_100000739546_100000210623 [0,0,0,0,0,1|1,0,2]=4 1573 B15R2.352 C=CCNC1COc2ccccc2C1 270004a_100020586998_100000048293 [0,0,0,0,0,1|1,0,2]=4 1574 B15R2.352 C=CCOC1CCc2ccccc2C1 34a_100011216300_100015514636 [0,0,0,0,0,1|1,0,2]=4 1575 B15R2.352 C=CCOC1CCc2ccccc2C1 7a_100011216300_100015514636 [0,0,0,0,0,1|1,0,2]=4 1576 B15R2.352 CCCNC1CCc2ccccc2C1 2230a_100000748446_100000210303 [0,0,0,0,0,1|0,0,2]=3 1577 B15R2.352 CCCNC1CCc2ccccc2C1 270004a_100020643023_100000212018 [0,0,0,0,0,1|0,0,2]=3 1578 B15R2.352 CCCNC1CCc2ccccc2C1 34a_100000748446_100000210303 [0,0,0,0,0,1|0,0,2]=3 1579 B15R2.352 CCCNC1COc2ccccc2C1 2230a_100000739546_100000210303 [0,0,0,0,0,1|1,0,2]=4 1580 B15R2.352 CCCNC1COc2ccccc2C1 270004a_100020643023_100000048293 [0,0,0,0,0,1|1,0,2]=4 1581 B15R2.352 CCCOC1CCc2ccccc2C1 34a_100011216300_100000210303 [0,0,0,0,0,1|1,0,2]=4 1582 B15R2.352 CCCOC1CCc2ccccc2C1 7a_100011216300_100000210303 [0,0,0,0,0,1|1,0,2]=4 1583 B15R2.352 COCNC1CCc2ccccc2C1 2230a_100000748446_100000766300 [0,0,0,0,0,1|1,0,1]=3 1584 B15R2.352 COCNC1COc2ccccc2C1 2230a_100000739546_100000766300 [0,0,0,0,0,1|2,0,1]=4 1585 B15R2.352 CSCNC1CCc2ccccc2C1 2230a_100000748446_100011218213 [0,0,0,0,0,1|1,0,1]=3 1586 B15R2.352 CSCNC1CCc2ccccc2C1 34a_100000748446_100011218213 [0,0,0,0,0,1|1,0,1]=3 1587 B15R2.352 CSCNC1COc2ccccc2C1 2230a_100000739546_100011218213 [0,0,0,0,0,1|2,0,1]=4 1588 B15R2.352 CSCOC1CCc2ccccc2C1 34a_100011216300_100011218213 [0,0,0,0,0,1|2,0,1]=4 1589 B15R2.352 FCCNC1CCc2ccccc2C1 2230a_100000748446_100011217306 [0,0,0,0,0,1|1,0,1]=3 1590 B15R2.352 FCCNC1CCc2ccccc2C1 34a_100000748446_100011217306 [0,0,0,0,0,1|1,0,1]=3 1591 B15R2.352 FCCNC1COc2ccccc2C1 2230a_100000739546_100011217306 [0,0,0,0,0,1|2,0,1]=4 1592 B15R2.352 FCCOC1CCc2ccccc2C1 34a_100011216300_100011217306 [0,0,0,0,0,1|2,0,1]=4 1593 B15R2.352 FCCOC1CCc2ccccc2C1 7a_100011216300_100011217306 [0,0,0,0,0,1|2,0,1]=4 1594 B15R2.352 N#CCCN1CCc2ccccc2C1 2230a_100000188457_100011215226 [0,0,0,0,0,1|3,0,0]=4 1595 B15R2.352 N#CCCN1CCc2ccccc2C1 269982a_100000188457_100011215226 [0,0,0,0,0,1|3,0,0]=4 1596 B15R2.352 N#CCNC1CCc2ccccc2C1 2230a_100000748446_100011215382 [0,0,0,0,0,1|1,0,0]=2 1597 B15R2.352 N#CCNC1COc2ccccc2C1 2230a_100000739546_100011215382 [0,0,0,0,0,1|2,0,0]=3 1598 B15R2.352 N#CCOC1CCc2ccccc2C1 7a_100011216300_100011215382 [0,0,0,0,0,1|2,0,0]=3 1599 B15R2.352 O=CCNC1CCc2ccccc2C1 2230a_100000748446_200015260668 [0,0,0,0,0,1|1,0,1]=3 1600 B15R2.352 O=CCNC1CCc2ccccc2C1 34a_100000748446_200009817547 [0,0,0,0,0,1|1,0,1]=3 1601 B15R2.352 O=CCNC1COc2ccccc2C1 2230a_100000739546_200015260668 [0,0,0,0,0,1|2,0,1]=4 1602 B15R2.352 O=CCOC1CCc2ccccc2C1 34a_100011216300_200009817547 [0,0,0,0,0,1|2,0,1]=4 1603 B15R2.352 O=CCOC1CCc2ccccc2C1 7a_100011216300_200015260668 [0,0,0,0,0,1|2,0,1]=4 1604 B15R2.352 OCCNC1CCc2ccccc2C1 2230a_100000748446_100000211926 [0,0,0,0,0,1|1,0,1]=3 1605 B15R2.352 OCCNC1CCc2ccccc2C1 270004a_100000210304_100000212018 [0,0,0,0,0,1|1,0,1]=3 1606 B15R2.352 OCCNC1CCc2ccccc2C1 34a_100000748446_100000211926 [0,0,0,0,0,1|1,0,1]=3 1607 B15R2.352 OCCNC1COc2ccccc2C1 2230a_100000739546_100000211926 [0,0,0,0,0,1|2,0,1]=4 1608 B15R2.352 OCCNC1COc2ccccc2C1 270004a_100000210304_100000048293 [0,0,0,0,0,1|2,0,1]=4 1609 B15R2.352 OCCOC1CCc2ccccc2C1 34a_100011216300_100000211926 [0,0,0,0,0,1|2,0,1]=4 1610 B15R2.352 OCCOC1CCc2ccccc2C1 7a_100011216300_100000211926 [0,0,0,0,0,1|2,0,1]=4 1611 B15R2.18471 C#CCNC1CCCc2c1ccnc2 2230a_100020634316_100000038162 [0,0,0,0,0,1|1,0,0]=2 1612 B15R2.18471 C#CCNC1CCCc2c1nccc2 2230a_100011259139_100000038162 [0,0,0,0,0,1|1,0,0]=2 1613 B15R2.18471 C#CCNC1CCOc2c1cccc2 2230a_100015190321_100000038162 [0,0,0,0,0,1|0,0,0]=1 1614 B15R2.18471 C#CCNC1CCOc2c1nccc2 2230a_100009852857_100000038162 [0,0,0,0,0,1|1,0,0]=2 1615 B15R2.18471 C#CCN[C@H]1CCCc2c1cccc2 34a_100020654734_100000184674 [0,0,0,0,0,1|0,0,0]=1 1616 B15R2.18471 C#CCNc1cccc2c1cccc2 34a_100000185869_100000184674 [0,0,0,0,0,1|0,0,3]=4 1617 B15R2.18471 C#CCNc1ccnc2c1cccc2 27a_100000212058_100011215880 [0,0,0,0,0,1|0,0,3]=4 1618 B15R2.18471 C#CCNc1cnnc2c1cccc2 27a_100000212058_100000063506 [0,0,0,0,0,1|1,0,2]=4 1619 B15R2.18471 C#CCNc1nccc2c1cccc2 27a_100000212058_100011934041 [0,0,0,0,0,1|0,0,3]=4 1620 B15R2.18471 C#CCNc1ncnc2c1cccc2 27a_100000212058_100000217608 [0,0,0,0,0,1|1,0,2]=4 1621 B15R2.18471 C#CCOC1CCCc2c1cccc2 34a_100000183665_100000184674 [0,0,0,0,0,1|1,0,0]=2 1622 B15R2.18471 C#CCOC1CCCc2c1cccc2 7a_100000183665_100000038162 [0,0,0,0,0,1|1,0,0]=2 1623 B15R2.18471 C#CCOC1CCOc2c1cccc2 7a_100000708930_100000038162 [0,0,0,0,0,1|1,0,0]=2 1624 B15R2.18471 C#CCOC1COCc2c1cccc2 34a_100012179175_100000184674 [0,0,0,0,0,1|1,0,0]=2 1625 B15R2.18471 C=CCNC1CCCc2c1ccnc2 2230a_100020634316_100000210623 [0,0,0,0,0,1|1,0,2]=4 1626 B15R2.18471 C=CCNC1CCCc2c1nccc2 2230a_100011259139_100000210623 [0,0,0,0,0,1|1,0,2]=4 1627 B15R2.18471 C=CCNC1CCOc2c1cccc2 2230a_100015190321_100000210623 [0,0,0,0,0,1|0,0,2]=3 1628 B15R2.18471 C=CCNC1CCOc2c1nccc2 2230a_100009852857_100000210623 [0,0,0,0,0,1|1,0,2]=4 1629 B15R2.18471 C=CCN[C@H]1CCCc2c1cccc2 34a_100020654734_100015514636 [0,0,0,0,0,1|0,0,2]=3 1630 B15R2.18471 C=CCOC1CCCc2c1cccc2 34a_100000183665_100015514636 [0,0,0,0,0,1|1,0,2]=4 1631 B15R2.18471 C=CCOC1CCCc2c1cccc2 7a_100000183665_100015514636 [0,0,0,0,0,1|1,0,2]=4 1632 B15R2.18471 C=CCOC1CCOc2c1cccc2 7a_100000708930_100015514636 [0,0,0,0,0,1|1,0,2]=4 1633 B15R2.18471 C=CCOC1COCc2c1cccc2 34a_100012179175_100015514636 [0,0,0,0,0,1|1,0,2]=4 1634 B15R2.18471 CC=NNC1CCCc2c1cccc2 4a_100159326319_200000210099 [0,0,0,0,0,1|1,0,2]=4 1635 B15R2.18471 CCCNC1CCCc2c1cccc2 269862a_100020643023_100000210882 [0,0,0,0,0,1|0,0,2]=3 1636 B15R2.18471 CCCNC1CCCc2c1cccn2 269862a_100020643023_100000058033 [0,0,0,0,0,1|1,0,2]=4 1637 B15R2.18471 CCCNC1CCCc2c1ccnc2 2230a_100020634316_100000210303 [0,0,0,0,0,1|1,0,2]=4 1638 B15R2.18471 CCCNC1CCCc2c1ccnc2 269862a_100020643023_100000087567 [0,0,0,0,0,1|1,0,2]=4 1639 B15R2.18471 CCCNC1CCCc2c1cncc2 269862a_100020643023_100016991936 [0,0,0,0,0,1|1,0,2]=4 1640 B15R2.18471 CCCNC1CCCc2c1nccc2 2230a_100011259139_100000210303 [0,0,0,0,0,1|1,0,2]=4 1641 B15R2.18471 CCCNC1CCCc2c1nccc2 269862a_100020643023_100000067617 [0,0,0,0,0,1|1,0,2]=4 1642 B15R2.18471 CCCNC1CCOc2c1cccc2 2230a_100015190321_100000210303 [0,0,0,0,0,1|0,0,2]=3 1643 B15R2.18471 CCCNC1CCOc2c1nccc2 2230a_100009852857_100000210303 [0,0,0,0,0,1|1,0,2]=4 1644 B15R2.18471 CCCNC1CCSc2c1cccc2 269862a_100020643023_100000183853 [0,0,0,0,0,1|0,0,2]=3 1645 B15R2.18471 CCCNC1COCc2c1cccc2 269862a_100020643023_100000117393 [0,0,0,0,0,1|0,0,2]=3 1646 B15R2.18471 CCCN[C@H]1CCCc2c1cccc2 34a_100020654734_100000210303 [0,0,0,0,0,1|0,0,2]=3 1647 B15R2.18471 CCCOC1CCCc2c1cccc2 34a_100000183665_100000210303 [0,0,0,0,0,1|1,0,2]=4 1648 B15R2.18471 CCCOC1CCCc2c1cccc2 7a_100000183665_100000210303 [0,0,0,0,0,1|1,0,2]=4 1649 B15R2.18471 CCCOC1CCOc2c1cccc2 7a_100000708930_100000210303 [0,0,0,0,0,1|1,0,2]=4 1650 B15R2.18471 CCCOC1COCc2c1cccc2 34a_100012179175_100000210303 [0,0,0,0,0,1|1,0,2]=4 1651 B15R2.18471 COCNC1CCCc2c1ccnc2 2230a_100020634316_100000766300 [0,0,0,0,0,1|2,0,1]=4 1652 B15R2.18471 COCNC1CCCc2c1nccc2 2230a_100011259139_100000766300 [0,0,0,0,0,1|2,0,1]=4 1653 B15R2.18471 COCNC1CCOc2c1cccc2 2230a_100015190321_100000766300 [0,0,0,0,0,1|1,0,1]=3 1654 B15R2.18471 COCNC1CCOc2c1nccc2 2230a_100009852857_100000766300 [0,0,0,0,0,1|2,0,1]=4 1655 B15R2.18471 CSCNC1CCCc2c1ccnc2 2230a_100020634316_100011218213 [0,0,0,0,0,1|2,0,1]=4 1656 B15R2.18471 CSCNC1CCCc2c1nccc2 2230a_100011259139_100011218213 [0,0,0,0,0,1|2,0,1]=4 1657 B15R2.18471 CSCNC1CCOc2c1cccc2 2230a_100015190321_100011218213 [0,0,0,0,0,1|1,0,1]=3 1658 B15R2.18471 CSCNC1CCOc2c1nccc2 2230a_100009852857_100011218213 [0,0,0,0,0,1|2,0,1]=4 1659 B15R2.18471 CSCN[C@H]1CCCc2c1cccc2 34a_100020654734_100011218213 [0,0,0,0,0,1|1,0,1]=3 1660 B15R2.18471 CSCOC1CCCc2c1cccc2 34a_100000183665_100011218213 [0,0,0,0,0,1|2,0,1]=4 1661 B15R2.18471 CSCOC1COCc2c1cccc2 34a_100012179175_100011218213 [0,0,0,0,0,1|2,0,1]=4 1662 B15R2.18471 FCCNC1CCCc2c1cccc2 269862a_100000724931_100000210882 [0,0,0,0,0,1|1,0,1]=3 1663 B15R2.18471 FCCNC1CCCc2c1cccn2 269862a_100000724931_100000058033 [0,0,0,0,0,1|2,0,1]=4 1664 B15R2.18471 FCCNC1CCCc2c1ccnc2 2230a_100020634316_100011217306 [0,0,0,0,0,1|2,0,1]=4 1665 B15R2.18471 FCCNC1CCCc2c1ccnc2 269862a_100000724931_100000087567 [0,0,0,0,0,1|2,0,1]=4 1666 B15R2.18471 FCCNC1CCCc2c1cncc2 269862a_100000724931_100016991936 [0,0,0,0,0,1|2,0,1]=4 1667 B15R2.18471 FCCNC1CCCc2c1nccc2 2230a_100011259139_100011217306 [0,0,0,0,0,1|2,0,1]=4 1668 B15R2.18471 FCCNC1CCCc2c1nccc2 269862a_100000724931_100000067617 [0,0,0,0,0,1|2,0,1]=4 1669 B15R2.18471 FCCNC1CCOc2c1cccc2 2230a_100015190321_100011217306 [0,0,0,0,0,1|1,0,1]=3 1670 B15R2.18471 FCCNC1CCOc2c1nccc2 2230a_100009852857_100011217306 [0,0,0,0,0,1|2,0,1]=4 1671 B15R2.18471 FCCNC1CCSc2c1cccc2 269862a_100000724931_100000183853 [0,0,0,0,0,1|1,0,1]=3 1672 B15R2.18471 FCCNC1COCc2c1cccc2 269862a_100000724931_100000117393 [0,0,0,0,0,1|1,0,1]=3 1673 B15R2.18471 FCCN[C@H]1CCCc2c1cccc2 34a_100020654734_100011217306 [0,0,0,0,0,1|1,0,1]=3 1674 B15R2.18471 FCCOC1CCCc2c1cccc2 34a_100000183665_100011217306 [0,0,0,0,0,1|2,0,1]=4 1675 B15R2.18471 FCCOC1CCCc2c1cccc2 7a_100000183665_100011217306 [0,0,0,0,0,1|2,0,1]=4 1676 B15R2.18471 FCCOC1CCOc2c1cccc2 7a_100000708930_100011217306 [0,0,0,0,0,1|2,0,1]=4 1677 B15R2.18471 FCCOC1COCc2c1cccc2 34a_100012179175_100011217306 [0,0,0,0,0,1|2,0,1]=4 1678 B15R2.18471 N#CCNC1CCCc2c1ccnc2 2230a_100020634316_100011215382 [0,0,0,0,0,1|2,0,0]=3 1679 B15R2.18471 N#CCNC1CCCc2c1nccc2 2230a_100011259139_100011215382 [0,0,0,0,0,1|2,0,0]=3 1680 B15R2.18471 N#CCNC1CCOc2c1cccc2 2230a_100015190321_100011215382 [0,0,0,0,0,1|1,0,0]=2 1681 B15R2.18471 N#CCNC1CCOc2c1nccc2 2230a_100009852857_100011215382 [0,0,0,0,0,1|2,0,0]=3 1682 B15R2.18471 N#CCOC1CCCc2c1cccc2 7a_100000183665_100011215382 [0,0,0,0,0,1|2,0,0]=3 1683 B15R2.18471 N#CCOC1CCOc2c1cccc2 7a_100000708930_100011215382 [0,0,0,0,0,1|2,0,0]=3 1684 B15R2.18471 O=CCNC1CCCc2c1ccnc2 2230a_100020634316_200015260668 [0,0,0,0,0,1|2,0,1]=4 1685 B15R2.18471 O=CCNC1CCCc2c1nccc2 2230a_100011259139_200015260668 [0,0,0,0,0,1|2,0,1]=4 1686 B15R2.18471 O=CCNC1CCOc2c1cccc2 2230a_100015190321_200015260668 [0,0,0,0,0,1|1,0,1]=3 1687 B15R2.18471 O=CCNC1CCOc2c1nccc2 2230a_100009852857_200015260668 [0,0,0,0,0,1|2,0,1]=4 1688 B15R2.18471 O=CCN[C@H]1CCCc2c1cccc2 34a_100020654734_200009817547 [0,0,0,0,0,1|1,0,1]=3 1689 B15R2.18471 O=CCOC1CCCc2c1cccc2 34a_100000183665_200009817547 [0,0,0,0,0,1|2,0,1]=4 1690 B15R2.18471 O=CCOC1CCCc2c1cccc2 7a_100000183665_200015260668 [0,0,0,0,0,1|2,0,1]=4 1691 B15R2.18471 O=CCOC1CCOc2c1cccc2 7a_100000708930_200015260668 [0,0,0,0,0,1|2,0,1]=4 1692 B15R2.18471 O=CCOC1COCc2c1cccc2 34a_100012179175_200009817547 [0,0,0,0,0,1|2,0,1]=4 1693 B15R2.18471 OCCNC1CCCc2c1cccc2 269862a_100000210304_100000210882 [0,0,0,0,0,1|1,0,1]=3 1694 B15R2.18471 OCCNC1CCCc2c1cccn2 269862a_100000210304_100000058033 [0,0,0,0,0,1|2,0,1]=4 1695 B15R2.18471 OCCNC1CCCc2c1ccnc2 2230a_100020634316_100000211926 [0,0,0,0,0,1|2,0,1]=4 1696 B15R2.18471 OCCNC1CCCc2c1ccnc2 269862a_100000210304_100000087567 [0,0,0,0,0,1|2,0,1]=4 1697 B15R2.18471 OCCNC1CCCc2c1cncc2 269862a_100000210304_100016991936 [0,0,0,0,0,1|2,0,1]=4 1698 B15R2.18471 OCCNC1CCCc2c1nccc2 2230a_100011259139_100000211926 [0,0,0,0,0,1|2,0,1]=4 1699 B15R2.18471 OCCNC1CCCc2c1nccc2 269862a_100000210304_100000067617 [0,0,0,0,0,1|2,0,1]=4 1700 B15R2.18471 OCCNC1CCOc2c1cccc2 2230a_100015190321_100000211926 [0,0,0,0,0,1|1,0,1]=3 1701 B15R2.18471 OCCNC1CCOc2c1nccc2 2230a_100009852857_100000211926 [0,0,0,0,0,1|2,0,1]=4 1702 B15R2.18471 OCCNC1CCSc2c1cccc2 269862a_100000210304_100000183853 [0,0,0,0,0,1|1,0,1]=3 1703 B15R2.18471 OCCNC1COCc2c1cccc2 269862a_100000210304_100000117393 [0,0,0,0,0,1|1,0,1]=3 1704 B15R2.18471 OCCN[C@H]1CCCc2c1cccc2 34a_100020654734_100000211926 [0,0,0,0,0,1|1,0,1]=3 1705 B15R2.18471 OCCOC1CCCc2c1cccc2 34a_100000183665_100000211926 [0,0,0,0,0,1|2,0,1]=4 1706 B15R2.18471 OCCOC1CCCc2c1cccc2 7a_100000183665_100000211926 [0,0,0,0,0,1|2,0,1]=4 1707 B15R2.18471 OCCOC1CCOc2c1cccc2 7a_100000708930_100000211926 [0,0,0,0,0,1|2,0,1]=4 1708 B15R2.18471 OCCOC1COCc2c1cccc2 34a_100012179175_100000211926 [0,0,0,0,0,1|2,0,1]=4 1709 B12R1.3 C#CCN(CC)c1ccccc1 2230a_100000210013_100000038162 [1,0,1,0,0,0|1,0,0]=3 1710 B12R1.3 C#CCN(CC)c1ccccc1 34a_100000210013_100000184674 [1,0,1,0,0,0|1,0,0]=3 1711 B12R1.3 CCC(CNC)c1ccccc1 270004a_106832991635_100000753018 [1,0,1,0,0,0|1,0,1]=4 1712 B12R1.3 CCC(COC)c1ccccc1 34a_100000752371_200000210301 [1,0,1,0,0,0|1,0,1]=4 1713 B12R1.3 CCC(COC)c1ccccc1 7a_100000752371_200000210301 [1,0,1,0,0,0|1,0,1]=4 1714 B12R1.3 CCC(CO[13CH3])c1ccccc1 34a_100000752371_200025704644 [1,0,1,0,0,0|1,0,1]=4 1715 B12R1.3 CCC(CO[13CH3])c1ccccc1 7a_100000752371_200025704644 [1,0,1,0,0,0|1,0,1]=4 1716 B12R1.3 CCC(OCF)c1ccccc1 34a_100000698172_100015361967 [1,0,1,0,0,0|2,0,0]=4 1717 B12R1.3 CCC(OCF)c1ccccc1 7a_100000698172_100015361967 [1,0,1,0,0,0|2,0,0]=4 1718 B12R1.3 CCN(CC#N)c1ccccc1 2230a_100000210013_100011215382 [1,0,1,0,0,0|2,0,0]=4 1719 B12R1.3 CCN(CC#N)c1ccccc1 269982a_100000210013_100011214920 [1,0,1,0,0,0|2,0,0]=4 1720 B12R1.3 CCNC(CC)c1ccccc1 2230a_100000737752_100000210202 [1,0,1,0,0,0|0,0,1]=3 1721 B12R1.3 CCNC(CC)c1ccccc1 269862a_100015525214_100000210124 [1,0,1,0,0,0|0,0,1]=3 1722 B12R1.3 CCNC(CC)c1ccccn1 2230a_100015186561_100000210202 [1,0,1,0,0,0|1,0,1]=4 1723 B12R1.3 CCNC(CC)c1ccccn1 269862a_100015525214_100000748178 [1,0,1,0,0,0|1,0,1]=4 1724 B12R1.3 CCNC(CC)c1cccnc1 2230a_100000246009_100000210202 [1,0,1,0,0,0|1,0,1]=4 1725 B12R1.3 CCNC(CC)c1cccnc1 269862a_100015525214_100011218761 [1,0,1,0,0,0|1,0,1]=4 1726 B12R1.3 CCNC(CC)c1ccncc1 269862a_100015525214_100011216016 [1,0,1,0,0,0|1,0,1]=4 1727 B12R1.3 CCN[C@H](CO)c1ccccc1 2230a_100000751927_100000210202 [1,0,1,0,0,0|1,0,1]=4 1728 B12R1.3 CCN[C@H](CO)c1ccccc1 34a_100000751927_100000210202 [1,0,1,0,0,0|1,0,1]=4 1729 B12R1.3 CCOC(CC)c1ccccc1 34a_100000698172_100000210202 [1,0,1,0,0,0|1,0,1]=4 1730 B12R1.3 CCOC(CC)c1ccccc1 7a_100000698172_100000210202 [1,0,1,0,0,0|1,0,1]=4 1731 B12R1.3 CO[C@H](CC#N)c1ccccc1 7a_100009817555_200000210301 [1,0,1,0,0,0|2,0,0]=4 1732 B12R1.3 OC[C@@H](NCF)c1ccccc1 34a_100000751927_100015361967 [1,0,1,0,0,0|2,0,0]=4 1733 B12R1.3 [13CH3]O[C@H](CC#N)c1ccccc1 7a_100009817555_200025704644 [1,0,1,0,0,0|2,0,0]=4 1734 B12R1.30 C#CCCN(C)c1ccccc1 2230a_100000210012_100000688953 [1,0,1,0,0,0|2,0,0]=4 1735 B12R1.30 C#CCCN(C)c1ccccc1 269982a_100000210012_100000730999 [1,0,1,0,0,0|2,0,0]=4 1736 B12R1.30 C#CCCN(C)c1ccccc1 34a_100000210012_100000688953 [1,0,1,0,0,0|2,0,0]=4 1737 B12R1.30 C#CCNC(=O)c1ccccc1 11a_100000212058_100000185807 [1,0,1,0,0,0|1,0,1]=4 1738 B12R1.30 C#CCNC(=O)c1ccccc1 1626a_100000212058_100000185807 [1,0,1,0,0,0|1,0,1]=4 1739 B12R1.30 C#CCNC(=O)c1ccccc1 240690a_100000212058_100000185807 [1,0,1,0,0,0|1,0,1]=4 1740 B12R1.30 C#CCNC(=O)c1ccccc1 527a_100000212058_100000185807 [1,0,1,0,0,0|1,0,1]=4 1741 B12R1.30 C#CCNC(C)c1ccccc1 34a_100000212058_100000211855 [1,0,1,0,0,0|0,0,0]=2 1742 B12R1.30 C#CCNC(C)c1ccccn1 2230a_100000181244_100000038162 [1,0,1,0,0,0|1,0,0]=3 1743 B12R1.30 C#CCNC(C)c1cccnc1 2230a_100000195435_100000038162 [1,0,1,0,0,0|1,0,0]=3 1744 B12R1.30 C#CCNC(C)c1ccncc1 2230a_100000181269_100000038162 [1,0,1,0,0,0|1,0,0]=3 1745 B12R1.30 C#CCNC(C)c1ncccn1 2230a_100020641698_100000038162 [1,0,1,0,0,0|2,0,0]=4 1746 B12R1.30 C#CCN[C@H](C)c1ccccc1 2230a_100000751104_100000038162 [1,0,1,0,0,0|0,0,0]=2 1747 B12R1.30 C#CCN[C@H](C)c1cnccn1 2230a_100020589798_100000038162 [1,0,1,0,0,0|2,0,0]=4 1748 B12R1.30 C#CCOC(C)c1ccccc1 34a_100000210247_100000211855 [1,0,1,0,0,0|1,0,0]=3 1749 B12R1.30 C#CCO[C@H](C)c1ccccc1 34a_100000761318_100000184674 [1,0,1,0,0,0|1,0,0]=3 1750 B12R1.30 C#CCO[C@H](C)c1ccccc1 7a_100000761318_100000038162 [1,0,1,0,0,0|1,0,0]=3 1751 B12R1.30 C#CCSC(C)c1ccccc1 62a_100000038162_100000230085 [1,0,1,0,0,0|1,0,0]=3 1752 B12R1.30 C=CCNC(C)c1ccccc1 2230a_100020586998_100000230085 [1,0,1,0,0,0|0,0,2]=4 1753 B12R1.30 C=CCN[C@H](C)c1ccccc1 2230a_100000751104_100000210623 [1,0,1,0,0,0|0,0,2]=4 1754 B12R1.30 CC(NCC#N)c1ccccn1 2230a_100000181244_100011215382 [1,0,1,0,0,0|2,0,0]=4 1755 B12R1.30 CC(NCC#N)c1cccnc1 2230a_100000195435_100011215382 [1,0,1,0,0,0|2,0,0]=4 1756 B12R1.30 CC(NCC#N)c1ccncc1 2230a_100000181269_100011215382 [1,0,1,0,0,0|2,0,0]=4 1757 B12R1.30 CC(NCCF)c1ccccc1 269862a_100000724931_100000185851 [1,0,1,0,0,0|1,0,1]=4 1758 B12R1.30 CC(NCCF)c1ccccc1 34a_100000724931_100000211855 [1,0,1,0,0,0|1,0,1]=4 1759 B12R1.30 CC(NCCO)c1ccccc1 2230a_100016997473_100000230085 [1,0,1,0,0,0|1,0,1]=4 1760 B12R1.30 CC(NCCO)c1ccccc1 269862a_100000210304_100000185851 [1,0,1,0,0,0|1,0,1]=4 1761 B12R1.30 CC(NCCO)c1ccccc1 34a_100016990907_100000211855 [1,0,1,0,0,0|1,0,1]=4 1762 B12R1.30 CC(SCC#N)c1ccccc1 62a_100000230085_100011215382 [1,0,1,0,0,0|2,0,0]=4 1763 B12R1.30 CC(SCC#N)c1ccccc1 62a_100011215382_100000230085 [1,0,1,0,0,0|2,0,0]=4 1764 B12R1.30 CCCNC(C)c1ccccc1 269862a_100020643023_100000185851 [1,0,1,0,0,0|0,0,2]=4 1765 B12R1.30 CCCN[C@H](C)c1ccccc1 2230a_100000751104_100000210303 [1,0,1,0,0,0|0,0,2]=4 1766 B12R1.30 COCN[C@H](C)c1ccccc1 2230a_100000751104_100000766300 [1,0,1,0,0,0|1,0,1]=4 1767 B12R1.30 CSCN[C@H](C)c1ccccc1 2230a_100000751104_100011218213 [1,0,1,0,0,0|1,0,1]=4 1768 B12R1.30 C[C@@H](NCC#N)c1ccccc1 2230a_100000751104_100011215382 [1,0,1,0,0,0|1,0,0]=3 1769 B12R1.30 C[C@@H](NCC=O)c1ccccc1 2230a_100000751104_200015260668 [1,0,1,0,0,0|1,0,1]=4 1770 B12R1.30 C[C@@H](NCCF)c1ccccc1 2230a_100000751104_100011217306 [1,0,1,0,0,0|1,0,1]=4 1771 B12R1.30 C[C@@H](NCCO)c1ccccc1 2230a_100000751104_100000211926 [1,0,1,0,0,0|1,0,1]=4 1772 B12R1.30 C[C@@H](OCC#N)c1ccccc1 7a_100000761318_100011215382 [1,0,1,0,0,0|2,0,0]=4 1773 B12R1.8 C#CCCCNc1ccccc1 34a_100000106764_100000695029 [1,0,1,0,0,0|1,0,0]=3 1774 B12R1.8 C#CCCCOc1ccccc1 34a_100000210340_100000695029 [1,0,1,0,0,0|1,0,0]=3 1775 B12R1.8 C#CCCCOc1ccccc1 7a_100000210340_100011215417 [1,0,1,0,0,0|1,0,0]=3 1776 B12R1.8 C#CCCCOc1cccnc1 34a_100000210849_100000695029 [1,0,1,0,0,0|2,0,0]=4 1777 B12R1.8 C#CCCCOc1cccnc1 7a_100000210849_100011215417 [1,0,1,0,0,0|2,0,0]=4 1778 B12R1.8 C#CCCCOc1ccncc1 34a_100000212176_100000695029 [1,0,1,0,0,0|2,0,0]=4 1779 B12R1.8 C#CCCCSc1ccccc1 62a_100000719477_100011215417 [1,0,1,0,0,0|1,0,0]=3 1780 B12R1.8 C#CCCCSc1ccccc1 62a_100011215417_100000041952 [1,0,1,0,0,0|1,0,0]=3 1781 B12R1.8 C#CCCCSc1ccccn1 62a_100011215417_100011216584 [1,0,1,0,0,0|2,0,0]=4 1782 B12R1.8 C#CCCCSc1ccccn1 62a_100011216584_100011215417 [1,0,1,0,0,0|2,0,0]=4 1783 B12R1.8 C#CCCCSc1cccnc1 62a_100000210063_100011215417 [1,0,1,0,0,0|2,0,0]=4 1784 B12R1.8 C#CCCCSc1cccnc1 62a_100011215417_100000210063 [1,0,1,0,0,0|2,0,0]=4 1785 B12R1.8 C#CCCCSc1ccncc1 62a_100000728582_100011215417 [1,0,1,0,0,0|2,0,0]=4 1786 B12R1.8 C#CCCCSc1ccncc1 62a_100011215417_100000728582 [1,0,1,0,0,0|2,0,0]=4 1787 B12R1.8 C#CCCNCc1ccccc1 2230a_100015324214_100000688953 [1,0,1,0,0,0|1,0,0]=3 1788 B12R1.8 C#CCCNCc1ccccc1 34a_100000755551_100015291786 [1,0,1,0,0,0|1,0,0]=3 1789 B12R1.8 C#CCCNCc1ccccc1 34a_100015324214_100000688953 [1,0,1,0,0,0|1,0,0]=3 1790 B12R1.8 C#CCCNCc1ccccn1 34a_100000755551_100000721315 [1,0,1,0,0,0|2,0,0]=4 1791 B12R1.8 C#CCCNCc1cccnc1 34a_100000755551_100000733263 [1,0,1,0,0,0|2,0,0]=4 1792 B12R1.8 C#CCCOCc1ccccc1 34a_100000210790_100000688953 [1,0,1,0,0,0|1,0,0]=3 1793 B12R1.8 C#CCCOCc1ccccc1 34a_100011215631_100015291786 [1,0,1,0,0,0|1,0,0]=3 1794 B12R1.8 C#CCCOCc1ccccc1 7a_100000210790_100000688953 [1,0,1,0,0,0|1,0,0]=3 1795 B12R1.8 C#CCCOCc1ccccn1 34a_100011215631_100000721315 [1,0,1,0,0,0|2,0,0]=4 1796 B12R1.8 C#CCCOCc1cccnc1 34a_100011215631_100000733263 [1,0,1,0,0,0|2,0,0]=4 1797 B12R1.8 C#CCCSCc1ccccc1 62a_100000211182_100000688953 [1,0,1,0,0,0|1,0,0]=3 1798 B12R1.8 C#CCCSCc1ccccc1 62a_100000688953_100015291786 [1,0,1,0,0,0|1,0,0]=3 1799 B12R1.8 C#CCCSCc1ccccn1 62a_100000688953_100000721315 [1,0,1,0,0,0|2,0,0]=4 1800 B12R1.8 C#CCCSCc1ccccn1 62a_100000721315_100000688953 [1,0,1,0,0,0|2,0,0]=4 1801 B12R1.8 C#CCCSCc1cccnc1 62a_100000688953_100000741622 [1,0,1,0,0,0|2,0,0]=4 1802 B12R1.8 C#CCCSCc1cccnc1 62a_100000741622_100000688953 [1,0,1,0,0,0|2,0,0]=4 1803 B12R1.8 C#CCCSCc1ccncc1 62a_100000688953_100015193705 [1,0,1,0,0,0|2,0,0]=4 1804 B12R1.8 C#CCCSCc1ccncc1 62a_100015193705_100000688953 [1,0,1,0,0,0|2,0,0]=4 1805 B12R1.8 C#CCNCCc1ccccc1 2230a_100000106460_100000038162 [1,0,1,0,0,0|0,0,0]=2 1806 B12R1.8 C#CCNCCc1ccccc1 34a_100000106460_100000184674 [1,0,1,0,0,0|0,0,0]=2 1807 B12R1.8 C#CCNCCc1ccccc1 34a_100000212058_100000765856 [1,0,1,0,0,0|0,0,0]=2 1808 B12R1.8 C#CCNCCc1cccnc1 2230a_100000736294_100000038162 [1,0,1,0,0,0|1,0,0]=3 1809 B12R1.8 C#CCOCCc1ccccc1 34a_100000210247_100000765856 [1,0,1,0,0,0|1,0,0]=3 1810 B12R1.8 C#CCOCCc1ccccc1 34a_100000210268_100000184674 [1,0,1,0,0,0|1,0,0]=3 1811 B12R1.8 C#CCOCCc1ccccc1 7a_100000210268_100000038162 [1,0,1,0,0,0|1,0,0]=3 1812 B12R1.8 C#CCOCCc1ccccn1 34a_100000210271_100000184674 [1,0,1,0,0,0|2,0,0]=4 1813 B12R1.8 C#CCOCCc1cccnc1 34a_100011217484_100000184674 [1,0,1,0,0,0|2,0,0]=4 1814 B12R1.8 C#CCOCCc1ccncc1 34a_100011216225_100000184674 [1,0,1,0,0,0|2,0,0]=4 1815 B12R1.8 C#CCSCCc1ccccc1 62a_100000038162_100011218657 [1,0,1,0,0,0|1,0,0]=3 1816 B12R1.8 C#CCSCCc1ccccn1 62a_100000038162_100015183660 [1,0,1,0,0,0|2,0,0]=4 1817 B12R1.8 C#CCSCCc1cccnc1 62a_100000038162_200011713674 [1,0,1,0,0,0|2,0,0]=4 1818 B12R1.8 C#CCSCCc1ccncc1 62a_100000038162_100000723409 [1,0,1,0,0,0|2,0,0]=4 1819 B12R1.8 C#CCSCSc1ccccc1 62a_100000038162_100011218342 [1,0,1,0,0,0|2,0,0]=4 1820 B12R1.8 C=CCNCCc1ccccc1 2230a_100000106460_100000210623 [1,0,1,0,0,0|0,0,2]=4 1821 B12R1.8 C=CCNCCc1ccccc1 2230a_100020586998_100000765856 [1,0,1,0,0,0|0,0,2]=4 1822 B12R1.8 C=CCNCCc1ccccc1 34a_100000106460_100015514636 [1,0,1,0,0,0|0,0,2]=4 1823 B12R1.8 CCCNCCc1ccccc1 2230a_100000106460_100000210303 [1,0,1,0,0,0|0,0,2]=4 1824 B12R1.8 CCCNCCc1ccccc1 34a_100000106460_100000210303 [1,0,1,0,0,0|0,0,2]=4 1825 B12R1.8 CCNCCCc1ccccc1 2230a_100000211184_100000210202 [1,0,1,0,0,0|0,0,1]=3 1826 B12R1.8 CCNCCCc1ccccc1 2230a_100015525214_100000211621 [1,0,1,0,0,0|0,0,1]=3 1827 B12R1.8 CCNCCCc1ccccc1 34a_100000211184_100000210202 [1,0,1,0,0,0|0,0,1]=3 1828 B12R1.8 CCNCCCc1cccnc1 2230a_100011532358_100000210202 [1,0,1,0,0,0|1,0,1]=4 1829 B12R1.8 CCNCCCc1cccnc1 34a_100011532358_100000210202 [1,0,1,0,0,0|1,0,1]=4 1830 B12R1.8 CCNCCCc1ccncc1 2230a_100011275580_100000210202 [1,0,1,0,0,0|1,0,1]=4 1831 B12R1.8 CCNCCOc1ccccc1 2230a_100000174943_100000210202 [1,0,1,0,0,0|1,0,1]=4 1832 B12R1.8 CCNCCOc1ccccc1 2230a_100015525214_100000184471 [1,0,1,0,0,0|1,0,1]=4 1833 B12R1.8 CCNCCOc1ccccc1 270004a_100015525214_100000758736 [1,0,1,0,0,0|1,0,1]=4 1834 B12R1.8 CCNCCOc1ccccc1 34a_100000174943_100000210202 [1,0,1,0,0,0|1,0,1]=4 1835 B12R1.8 CCNCCSc1ccccc1 2230a_100000189519_100000210202 [1,0,1,0,0,0|1,0,1]=4 1836 B12R1.8 CCNCCSc1ccccc1 2230a_100015525214_100000246102 [1,0,1,0,0,0|1,0,1]=4 1837 B12R1.8 CCNCOCc1ccccc1 2230a_100015525214_100000763385 [1,0,1,0,0,0|1,0,1]=4 1838 B12R1.8 CCNCSCc1ccccc1 2230a_100015525214_200011217039 [1,0,1,0,0,0|1,0,1]=4 1839 B12R1.8 CCOCCCc1ccccc1 34a_100000210828_100000210202 [1,0,1,0,0,0|1,0,1]=4 1840 B12R1.8 CCOCCCc1ccccc1 34a_100121572206_100000211621 [1,0,1,0,0,0|1,0,1]=4 1841 B12R1.8 CCOCCCc1ccccc1 7a_100000210828_100000210202 [1,0,1,0,0,0|1,0,1]=4 1842 B12R1.8 CCSCCCc1ccccc1 62a_100000210202_100000211621 [1,0,1,0,0,0|1,0,1]=4 1843 B12R1.8 CCSCCCc1ccccc1 62a_100000211621_100000210202 [1,0,1,0,0,0|1,0,1]=4 1844 B12R1.8 CNCCCCc1ccccc1 2230a_100015280158_200000210301 [1,0,1,0,0,0|1,0,1]=4 1845 B12R1.8 CNCCCCc1ccccc1 2230a_106832991635_100000701786 [1,0,1,0,0,0|1,0,1]=4 1846 B12R1.8 CNCCCCc1ccccc1 34a_100015280158_200000210301 [1,0,1,0,0,0|1,0,1]=4 1847 B12R1.8 CNCCCCc1ccccc1 34a_100102657272_100000701786 [1,0,1,0,0,0|1,0,1]=4 1848 B12R1.8 CNCCCCc1ccccc1 7a_106832991635_100000701786 [1,0,1,0,0,0|1,0,1]=4 1849 B12R1.8 COCCCCc1ccccc1 34a_100000703073_200000210301 [1,0,1,0,0,0|1,0,1]=4 1850 B12R1.8 COCCCCc1ccccc1 34a_100138415774_100000701786 [1,0,1,0,0,0|1,0,1]=4 1851 B12R1.8 COCCCCc1ccccc1 7a_100000703073_200000210301 [1,0,1,0,0,0|1,0,1]=4 1852 B12R1.8 COCNCCc1ccccc1 2230a_100000106460_100000766300 [1,0,1,0,0,0|1,0,1]=4 1853 B12R1.8 CSCCCCc1ccccc1 62a_100000701786_200000210301 [1,0,1,0,0,0|1,0,1]=4 1854 B12R1.8 CSCCCCc1ccccc1 62a_200000210301_100000701786 [1,0,1,0,0,0|1,0,1]=4 1855 B12R1.8 CSCNCCc1ccccc1 2230a_100000106460_100011218213 [1,0,1,0,0,0|1,0,1]=4 1856 B12R1.8 CSCNCCc1ccccc1 34a_100000106460_100011218213 [1,0,1,0,0,0|1,0,1]=4 1857 B12R1.8 FCCNCCc1ccccc1 2230a_100000106460_100011217306 [1,0,1,0,0,0|1,0,1]=4 1858 B12R1.8 FCCNCCc1ccccc1 34a_100000106460_100011217306 [1,0,1,0,0,0|1,0,1]=4 1859 B12R1.8 FCCNCCc1ccccc1 34a_100000724931_100000765856 [1,0,1,0,0,0|1,0,1]=4 1860 B12R1.8 FCNCCCc1ccccc1 34a_100000211184_100015361967 [1,0,1,0,0,0|1,0,0]=3 1861 B12R1.8 FCNCCCc1cccnc1 34a_100011532358_100015361967 [1,0,1,0,0,0|2,0,0]=4 1862 B12R1.8 FCNCCOc1ccccc1 34a_100000174943_100015361967 [1,0,1,0,0,0|2,0,0]=4 1863 B12R1.8 FCOCCCc1ccccc1 34a_100000210828_100015361967 [1,0,1,0,0,0|2,0,0]=4 1864 B12R1.8 FCOCCCc1ccccc1 7a_100000210828_100015361967 [1,0,1,0,0,0|2,0,0]=4 1865 B12R1.8 FCSCCCc1ccccc1 62a_100000211621_100015361967 [1,0,1,0,0,0|2,0,0]=4 1866 B12R1.8 FCSCCCc1ccccc1 62a_100015361967_100000211621 [1,0,1,0,0,0|2,0,0]=4 1867 B12R1.8 N#CCCCOc1ccccc1 7a_100000210340_100000687738 [1,0,1,0,0,0|2,0,0]=4 1868 B12R1.8 N#CCCCSc1ccccc1 62a_100000687738_100000041952 [1,0,1,0,0,0|2,0,0]=4 1869 B12R1.8 N#CCCCSc1ccccc1 62a_100000719477_100000687738 [1,0,1,0,0,0|2,0,0]=4 1870 B12R1.8 N#CCCNCc1ccccc1 2230a_100015324214_100011215226 [1,0,1,0,0,0|2,0,0]=4 1871 B12R1.8 N#CCCNCc1ccccc1 270004a_100000720768_100015611070 [1,0,1,0,0,0|2,0,0]=4 1872 B12R1.8 N#CCCOCc1ccccc1 7a_100000210790_100000184422 [1,0,1,0,0,0|2,0,0]=4 1873 B12R1.8 N#CCCSCc1ccccc1 62a_100000211182_100011215226 [1,0,1,0,0,0|2,0,0]=4 1874 B12R1.8 N#CCCSCc1ccccc1 62a_100011215226_100015291786 [1,0,1,0,0,0|2,0,0]=4 1875 B12R1.8 N#CCNCCc1ccccc1 2230a_100000106460_100011215382 [1,0,1,0,0,0|1,0,0]=3 1876 B12R1.8 N#CCNCCc1cccnc1 2230a_100000736294_100011215382 [1,0,1,0,0,0|2,0,0]=4 1877 B12R1.8 N#CCOCCc1ccccc1 7a_100000210268_100011215382 [1,0,1,0,0,0|2,0,0]=4 1878 B12R1.8 N#CCSCCc1ccccc1 62a_100000765856_100011215382 [1,0,1,0,0,0|2,0,0]=4 1879 B12R1.8 N#CCSCCc1ccccc1 62a_100011215382_100011218657 [1,0,1,0,0,0|2,0,0]=4 1880 B12R1.8 O=CCNCCc1ccccc1 2230a_100000106460_200015260668 [1,0,1,0,0,0|1,0,1]=4 1881 B12R1.8 O=CCNCCc1ccccc1 34a_100000106460_200009817547 [1,0,1,0,0,0|1,0,1]=4 1882 B12R1.8 OCCNCCc1ccccc1 2230a_100000106460_100000211926 [1,0,1,0,0,0|1,0,1]=4 1883 B12R1.8 OCCNCCc1ccccc1 2230a_100016997473_100000765856 [1,0,1,0,0,0|1,0,1]=4 1884 B12R1.8 OCCNCCc1ccccc1 34a_100000106460_100000211926 [1,0,1,0,0,0|1,0,1]=4 1885 B12R1.8 OCCNCCc1ccccc1 34a_100016990907_100000765856 [1,0,1,0,0,0|1,0,1]=4 1886 B12R1.8 [13CH3]NCCCCc1ccccc1 2230a_100015280158_200025704644 [1,0,1,0,0,0|1,0,1]=4 1887 B12R1.8 [13CH3]NCCCCc1ccccc1 34a_100015280158_200025704644 [1,0,1,0,0,0|1,0,1]=4 1888 B12R1.8 [13CH3]OCCCCc1ccccc1 34a_100000703073_200025704644 [1,0,1,0,0,0|1,0,1]=4 1889 B12R1.8 [13CH3]OCCCCc1ccccc1 7a_100000703073_200025704644 [1,0,1,0,0,0|1,0,1]=4 1890 B12R1.8 [13CH3]SCCCCc1ccccc1 62a_100000701786_200025704644 [1,0,1,0,0,0|1,0,1]=4 1891 B12R1.8 [13CH3]SCCCCc1ccccc1 62a_200025704644_100000701786 [1,0,1,0,0,0|1,0,1]=4 1892 B12R1.121 C#CCNc1ccccc1C#C 34a_100011470550_100000184674 [1,0,1,0,0,0|0,0,2]=4 1893 B12R1.121 C#CCNc1ccccc1C#N 34a_100000211148_100000184674 [1,0,1,0,0,0|1,0,1]=4 1894 B12R1.121 C#CCNc1ccccc1C=C 34a_100012022501_100000184674 [1,0,1,0,0,0|0,0,2]=4 1895 B12R1.121 C#CCNc1ccccc1CC 2230a_100000212081_100000038162 [1,0,1,0,0,0|0,0,0]=2 1896 B12R1.121 C#CCNc1ccccc1CC 34a_100000212081_100000184674 [1,0,1,0,0,0|0,0,0]=2 1897 B12R1.121 C#CCNc1ccccc1CC 7a_100000212081_100000038162 [1,0,1,0,0,0|0,0,0]=2 1898 B12R1.121 C#CCNc1ccccc1CO 34a_100000212039_100000184674 [1,0,1,0,0,0|1,0,0]=3 1899 B12R1.121 C#CCNc1ccccc1OC 34a_100000210025_100000184674 [1,0,1,0,0,0|1,0,0]=3 1900 B12R1.121 C#CCNc1ccccc1SC 34a_100000211160_100000184674 [1,0,1,0,0,0|1,0,0]=3 1901 B12R1.121 C#CCNc1ccncc1CO 27a_100000212058_100000117392 [1,0,1,0,0,0|2,0,0]=4 1902 B12R1.121 C#CCNc1cncnc1CC 27a_100000212058_100009816992 [1,0,1,0,0,0|2,0,0]=4 1903 B12R1.121 C#CCNc1nccnc1CC 27a_100000212058_100011995844 [1,0,1,0,0,0|2,0,0]=4 1904 B12R1.121 C#CCNc1ncncc1CC 27a_100000212058_200000100055 [1,0,1,0,0,0|2,0,0]=4 1905 B12R1.121 C#CCOc1ccccc1CC 34a_100000210936_100000184674 [1,0,1,0,0,0|1,0,0]=3 1906 B12R1.121 C#CCOc1ccccc1CC 7a_100000210936_100000038162 [1,0,1,0,0,0|1,0,0]=3 1907 B12R1.121 C#CCOc1ccccc1CN 34a_100000185550_100000184674 [1,0,1,0,0,0|2,0,0]=4 1908 B12R1.121 C#CCOc1ccccc1CO 34a_100011216872_100000184674 [1,0,1,0,0,0|2,0,0]=4 1909 B12R1.121 C#CCOc1ccccc1NC 34a_100000033821_100000184674 [1,0,1,0,0,0|2,0,0]=4 1910 B12R1.121 C#CCOc1ccccc1NC 34a_100000707309_200000210301 [1,0,1,0,0,0|2,0,0]=4 1911 B12R1.121 C#CCOc1ccccc1N[13CH3] 34a_100000707309_200025704644 [1,0,1,0,0,0|2,0,0]=4 1912 B12R1.121 C#CCOc1ccccc1OC 34a_100000210385_100000184674 [1,0,1,0,0,0|2,0,0]=4 1913 B12R1.121 C#CCOc1ccccc1SC 34a_100011216402_100000184674 [1,0,1,0,0,0|2,0,0]=4 1914 B12R1.121 C#CCSc1ccccc1CC 62a_100000038162_100011215823 [1,0,1,0,0,0|1,0,0]=3 1915 B12R1.121 C#CCSc1ccccc1CN 62a_100000038162_100000689332 [1,0,1,0,0,0|2,0,0]=4 1916 B12R1.121 C#CCSc1ccccc1CO 62a_100000038162_100000187465 [1,0,1,0,0,0|2,0,0]=4 1917 B12R1.121 C#CCSc1ccccc1NC 62a_100000038162_100020606079 [1,0,1,0,0,0|2,0,0]=4 1918 B12R1.121 C#CCSc1ccccc1OC 62a_100000038162_100000210334 [1,0,1,0,0,0|2,0,0]=4 1919 B12R1.121 C#CCSc1ccccc1SC 62a_100000038162_100011217816 [1,0,1,0,0,0|2,0,0]=4 1920 B12R1.121 C#CCSc1cccnc1CC 62a_100000038162_100009877225 [1,0,1,0,0,0|2,0,0]=4 1921 B12R1.121 C#CCSc1ccncc1CC 62a_100000038162_100025704421 [1,0,1,0,0,0|2,0,0]=4 1922 B12R1.121 C#CCSc1cnccc1CC 62a_100000038162_100009819861 [1,0,1,0,0,0|2,0,0]=4 1923 B12R1.121 C=CCNc1ccccc1CC 2230a_100000212081_100000210623 [1,0,1,0,0,0|0,0,2]=4 1924 B12R1.121 C=CCNc1ccccc1CC 34a_100000212081_100015514636 [1,0,1,0,0,0|0,0,2]=4 1925 B12R1.121 C=CCNc1ccccc1CC 7a_100000212081_100015514636 [1,0,1,0,0,0|0,0,2]=4 1926 B12R1.121 CCCCc1ccccc1CC 271570a_100020621405_100011215823 [1,0,1,0,0,0|0,0,2]=4 1927 B12R1.121 CCCNc1ccccc1CC 2230a_100000212081_100000210303 [1,0,1,0,0,0|0,0,2]=4 1928 B12R1.121 CCCNc1ccccc1CC 34a_100000212081_100000210303 [1,0,1,0,0,0|0,0,2]=4 1929 B12R1.121 CCCNc1ccccc1CC 7a_100000212081_100000210303 [1,0,1,0,0,0|0,0,2]=4 1930 B12R1.121 CCNCc1ccccc1CC 207a_100015525214_100011219594 [1,0,1,0,0,0|0,0,1]=3 1931 B12R1.121 CCNCc1ccccc1CC 270004a_100015525214_100011219594 [1,0,1,0,0,0|0,0,1]=3 1932 B12R1.121 CCNCc1ccccc1CO 2230a_100015525214_100009816955 [1,0,1,0,0,0|1,0,1]=4 1933 B12R1.121 CCNCc1ccccc1OC 207a_100015525214_100000169842 [1,0,1,0,0,0|1,0,1]=4 1934 B12R1.121 CCNCc1ccccc1OC 2230a_100015525214_100000210004 [1,0,1,0,0,0|1,0,1]=4 1935 B12R1.121 CCNCc1ccccc1OC 270004a_100015525214_100000169842 [1,0,1,0,0,0|1,0,1]=4 1936 B12R1.121 CCNCc1ccccc1OC 34a_100000188900_100000210202 [1,0,1,0,0,0|1,0,1]=4 1937 B12R1.121 CCNCc1ccccc1SC 207a_100015525214_100011217347 [1,0,1,0,0,0|1,0,1]=4 1938 B12R1.121 CCNCc1ccccc1SC 2230a_100015525214_100000699184 [1,0,1,0,0,0|1,0,1]=4 1939 B12R1.121 CCNCc1ccccc1SC 270004a_100015525214_100011217347 [1,0,1,0,0,0|1,0,1]=4 1940 B12R1.121 CCNCc1ccccc1SC 34a_102495365025_100000210202 [1,0,1,0,0,0|1,0,1]=4 1941 B12R1.121 CCOCc1ccccc1CC 34a_100011663872_100000210202 [1,0,1,0,0,0|1,0,1]=4 1942 B12R1.121 CCOCc1ccccc1CC 7a_100011663872_100000210202 [1,0,1,0,0,0|1,0,1]=4 1943 B12R1.121 CCc1ccccc1CCNC 2230a_100011663701_200000210301 [1,0,1,0,0,0|1,0,1]=4 1944 B12R1.121 CCc1ccccc1CCNC 34a_100011663701_200000210301 [1,0,1,0,0,0|1,0,1]=4 1945 B12R1.121 CCc1ccccc1CCN[13CH3] 2230a_100011663701_200025704644 [1,0,1,0,0,0|1,0,1]=4 1946 B12R1.121 CCc1ccccc1CCN[13CH3] 34a_100011663701_200025704644 [1,0,1,0,0,0|1,0,1]=4 1947 B12R1.121 CCc1ccccc1COCF 34a_100011663872_100015361967 [1,0,1,0,0,0|2,0,0]=4 1948 B12R1.121 CCc1ccccc1COCF 7a_100011663872_100015361967 [1,0,1,0,0,0|2,0,0]=4 1949 B12R1.121 CCc1ccccc1NCC#N 2230a_100000212081_100011215382 [1,0,1,0,0,0|1,0,0]=3 1950 B12R1.121 CCc1ccccc1NCC#N 7a_100000212081_100011215382 [1,0,1,0,0,0|1,0,0]=3 1951 B12R1.121 CCc1ccccc1NCC=O 2230a_100000212081_200015260668 [1,0,1,0,0,0|1,0,1]=4 1952 B12R1.121 CCc1ccccc1NCC=O 34a_100000212081_200009817547 [1,0,1,0,0,0|1,0,1]=4 1953 B12R1.121 CCc1ccccc1NCC=O 7a_100000212081_200015260668 [1,0,1,0,0,0|1,0,1]=4 1954 B12R1.121 CCc1ccccc1NCCF 2230a_100000212081_100011217306 [1,0,1,0,0,0|1,0,1]=4 1955 B12R1.121 CCc1ccccc1NCCF 34a_100000212081_100011217306 [1,0,1,0,0,0|1,0,1]=4 1956 B12R1.121 CCc1ccccc1NCCF 7a_100000212081_100011217306 [1,0,1,0,0,0|1,0,1]=4 1957 B12R1.121 CCc1ccccc1NCCO 2230a_100000212081_100000211926 [1,0,1,0,0,0|1,0,1]=4 1958 B12R1.121 CCc1ccccc1NCCO 34a_100000212081_100000211926 [1,0,1,0,0,0|1,0,1]=4 1959 B12R1.121 CCc1ccccc1NCCO 7a_100000212081_100000211926 [1,0,1,0,0,0|1,0,1]=4 1960 B12R1.121 CCc1ccccc1NCOC 2230a_100000212081_100000766300 [1,0,1,0,0,0|1,0,1]=4 1961 B12R1.121 CCc1ccccc1NCSC 2230a_100000212081_100011218213 [1,0,1,0,0,0|1,0,1]=4 1962 B12R1.121 CCc1ccccc1NCSC 34a_100000212081_100011218213 [1,0,1,0,0,0|1,0,1]=4 1963 B12R1.121 CCc1ccccc1OCC#N 7a_100000210936_100011215382 [1,0,1,0,0,0|2,0,0]=4 1964 B12R1.121 CCc1ccccc1SCC#N 62a_100011215382_100011215823 [1,0,1,0,0,0|2,0,0]=4 1965 B12R1.121 CCc1ccccc1SCC#N 62a_100011215823_100011215382 [1,0,1,0,0,0|2,0,0]=4 1966 B12R1.121 COc1ccccc1CNCF 34a_100000188900_100015361967 [1,0,1,0,0,0|2,0,0]=4 1967 B12R1.121 CSc1ccccc1CNCF 34a_102495365025_100015361967 [1,0,1,0,0,0|2,0,0]=4 1968 B12R1.267 C#CCCNc1ccccc1C 34a_100015192222_100000688953 [1,0,1,0,0,0|2,0,0]=4 1969 B12R1.267 C#CCCOc1ccccc1C 34a_100000210338_100000688953 [1,0,1,0,0,0|2,0,0]=4 1970 B12R1.267 C#CCCOc1ccccc1C 7a_100000210338_100000688953 [1,0,1,0,0,0|2,0,0]=4 1971 B12R1.267 C#CCCSc1ccccc1C 62a_100000210755_100000688953 [1,0,1,0,0,0|2,0,0]=4 1972 B12R1.267 C#CCCSc1ccccc1C 62a_100000688953_100000210755 [1,0,1,0,0,0|2,0,0]=4 1973 B12R1.267 C#CCNCc1ccccc1Br 2230a_100000689332_100000038162 [1,0,1,0,0,0|1,0,0]=3 1974 B12R1.267 C#CCNCc1ccccc1Br 34a_100000212058_100000184730 [1,0,1,0,0,0|1,0,0]=3 1975 B12R1.267 C#CCNCc1ccccc1Br 34a_100000689332_100000184674 [1,0,1,0,0,0|1,0,0]=3 1976 B12R1.267 C#CCNCc1ccccc1C 34a_100000174972_100000184674 [1,0,1,0,0,0|0,0,0]=2 1977 B12R1.267 C#CCNCc1ccccc1C 34a_100000212058_100000211839 [1,0,1,0,0,0|0,0,0]=2 1978 B12R1.267 C#CCNCc1ccccc1Cl 2230a_100000174879_100000038162 [1,0,1,0,0,0|1,0,0]=3 1979 B12R1.267 C#CCNCc1ccccc1Cl 34a_100000174879_100000184674 [1,0,1,0,0,0|1,0,0]=3 1980 B12R1.267 C#CCNCc1ccccc1Cl 34a_100000212058_100000187162 [1,0,1,0,0,0|1,0,0]=3 1981 B12R1.267 C#CCNCc1ccccc1F 34a_100000174869_100000184674 [1,0,1,0,0,0|1,0,0]=3 1982 B12R1.267 C#CCNCc1ccccc1F 34a_100000212058_100000211605 [1,0,1,0,0,0|1,0,0]=3 1983 B12R1.267 C#CCNCc1ccccc1I 34a_100000212058_100011215278 [1,0,1,0,0,0|1,0,0]=3 1984 B12R1.267 C#CCNCc1ccccc1O 34a_100000185550_100000184674 [1,0,1,0,0,0|1,0,0]=3 1985 B12R1.267 C#CCNCc1cccnc1Br 2230a_100009818023_100000038162 [1,0,1,0,0,0|2,0,0]=4 1986 B12R1.267 C#CCNCc1cccnc1Br 34a_100000212058_100010140945 [1,0,1,0,0,0|2,0,0]=4 1987 B12R1.267 C#CCNCc1cccnc1Br 34a_100009818023_100000184674 [1,0,1,0,0,0|2,0,0]=4 1988 B12R1.267 C#CCNCc1cccnc1C 34a_100000212058_100000732876 [1,0,1,0,0,0|1,0,0]=3 1989 B12R1.267 C#CCNCc1cccnc1Cl 2230a_100015189234_100000038162 [1,0,1,0,0,0|2,0,0]=4 1990 B12R1.267 C#CCNCc1cccnc1Cl 34a_100000212058_100000045678 [1,0,1,0,0,0|2,0,0]=4 1991 B12R1.267 C#CCNCc1cccnc1Cl 34a_100015189234_100000184674 [1,0,1,0,0,0|2,0,0]=4 1992 B12R1.267 C#CCNCc1cccnc1F 34a_100000212058_100000099810 [1,0,1,0,0,0|2,0,0]=4 1993 B12R1.267 C#CCNCc1cccnc1F 34a_100000724633_100000184674 [1,0,1,0,0,0|2,0,0]=4 1994 B12R1.267 C#CCNCc1ccncc1C 34a_100000212058_100020672809 [1,0,1,0,0,0|1,0,0]=3 1995 B12R1.267 C#CCNCc1ccncc1F 34a_100011935246_100000184674 [1,0,1,0,0,0|2,0,0]=4 1996 B12R1.267 C#CCNCc1cnccc1C 34a_100000212058_100000690890 [1,0,1,0,0,0|1,0,0]=3 1997 B12R1.267 C#CCNCc1ncccc1Br 34a_100000212058_100025702911 [1,0,1,0,0,0|2,0,0]=4 1998 B12R1.267 C#CCNCc1ncccc1C 34a_100000212058_100000696600 [1,0,1,0,0,0|1,0,0]=3 1999 B12R1.267 C#CCNCc1ncccc1C 34a_100011223789_100000184674 [1,0,1,0,0,0|1,0,0]=3 2000 B12R1.267 C#CCNCc1ncccc1Cl 2230a_100015189233_100000038162 [1,0,1,0,0,0|2,0,0]=4 2001 B12R1.267 C#CCNCc1ncccc1F 34a_100000212058_100000104219 [1,0,1,0,0,0|2,0,0]=4 2002 B12R1.267 C#CCNCc1ncccc1F 34a_100000690088_100000184674 [1,0,1,0,0,0|2,0,0]=4 2003 B12R1.267 C#CCNCc1ncccc1O 34a_100000212058_200020655725 [1,0,1,0,0,0|2,0,0]=4 2004 B12R1.267 C#CCNCc1nccnc1C 2230a_100020641712_100000038162 [1,0,1,0,0,0|2,0,0]=4 2005 B12R1.267 C#CCNCc1nccnc1C 34a_100020641712_100000184674 [1,0,1,0,0,0|2,0,0]=4 2006 B12R1.267 C#CCOCc1ccccc1Br 34a_100000210247_100000184730 [1,0,1,0,0,0|2,0,0]=4 2007 B12R1.267 C#CCOCc1ccccc1Br 34a_100000756307_100000184674 [1,0,1,0,0,0|2,0,0]=4 2008 B12R1.267 C#CCOCc1ccccc1Br 7a_100000756307_100000038162 [1,0,1,0,0,0|2,0,0]=4 2009 B12R1.267 C#CCOCc1ccccc1C 34a_100000210247_100000211839 [1,0,1,0,0,0|1,0,0]=3 2010 B12R1.267 C#CCOCc1ccccc1C 34a_100000698903_100000184674 [1,0,1,0,0,0|1,0,0]=3 2011 B12R1.267 C#CCOCc1ccccc1C 7a_100000698903_100000038162 [1,0,1,0,0,0|1,0,0]=3 2012 B12R1.267 C#CCOCc1ccccc1Cl 34a_100000210247_100000187162 [1,0,1,0,0,0|2,0,0]=4 2013 B12R1.267 C#CCOCc1ccccc1Cl 34a_100000210847_100000184674 [1,0,1,0,0,0|2,0,0]=4 2014 B12R1.267 C#CCOCc1ccccc1Cl 7a_100000210847_100000038162 [1,0,1,0,0,0|2,0,0]=4 2015 B12R1.267 C#CCOCc1ccccc1F 34a_100000210247_100000211605 [1,0,1,0,0,0|2,0,0]=4 2016 B12R1.267 C#CCOCc1ccccc1F 34a_100000211962_100000184674 [1,0,1,0,0,0|2,0,0]=4 2017 B12R1.267 C#CCOCc1ccccc1F 7a_100000211962_100000038162 [1,0,1,0,0,0|2,0,0]=4 2018 B12R1.267 C#CCOCc1ccccc1I 34a_100000187465_100000184674 [1,0,1,0,0,0|2,0,0]=4 2019 B12R1.267 C#CCOCc1ccccc1I 34a_100000210247_100011215278 [1,0,1,0,0,0|2,0,0]=4 2020 B12R1.267 C#CCOCc1ccccc1I 7a_100000187465_100000038162 [1,0,1,0,0,0|2,0,0]=4 2021 B12R1.267 C#CCOCc1ccccc1N 34a_100000212039_100000184674 [1,0,1,0,0,0|2,0,0]=4 2022 B12R1.267 C#CCOCc1cccnc1C 34a_100000210247_100000732876 [1,0,1,0,0,0|2,0,0]=4 2023 B12R1.267 C#CCOCc1cccnc1C 34a_100000729262_100000184674 [1,0,1,0,0,0|2,0,0]=4 2024 B12R1.267 C#CCOCc1cccnc1C 7a_100000729262_100000038162 [1,0,1,0,0,0|2,0,0]=4 2025 B12R1.267 C#CCOCc1ccncc1C 34a_100000210247_100020672809 [1,0,1,0,0,0|2,0,0]=4 2026 B12R1.267 C#CCOCc1ccncc1C 34a_100011997032_100000184674 [1,0,1,0,0,0|2,0,0]=4 2027 B12R1.267 C#CCOCc1cnccc1C 34a_100000210247_100000690890 [1,0,1,0,0,0|2,0,0]=4 2028 B12R1.267 C#CCOCc1cnccc1C 34a_100011996381_100000184674 [1,0,1,0,0,0|2,0,0]=4 2029 B12R1.267 C#CCOCc1ncccc1C 34a_100000210247_100000696600 [1,0,1,0,0,0|2,0,0]=4 2030 B12R1.267 C#CCOCc1ncccc1C 34a_100000698912_100000184674 [1,0,1,0,0,0|2,0,0]=4 2031 B12R1.267 C#CCSCc1ccccc1Br 62a_100000038162_100000184730 [1,0,1,0,0,0|2,0,0]=4 2032 B12R1.267 C#CCSCc1ccccc1C 62a_100000038162_100000211839 [1,0,1,0,0,0|1,0,0]=3 2033 B12R1.267 C#CCSCc1ccccc1Cl 62a_100000038162_100000187162 [1,0,1,0,0,0|2,0,0]=4 2034 B12R1.267 C#CCSCc1ccccc1F 62a_100000038162_100000211605 [1,0,1,0,0,0|2,0,0]=4 2035 B12R1.267 C#CCSCc1ccccc1I 62a_100000038162_100011216222 [1,0,1,0,0,0|2,0,0]=4 2036 B12R1.267 C#CCSCc1cccnc1C 62a_100000038162_100000732876 [1,0,1,0,0,0|2,0,0]=4 2037 B12R1.267 C#CCSCc1ccncc1C 62a_100000038162_100020672808 [1,0,1,0,0,0|2,0,0]=4 2038 B12R1.267 C#CCSCc1cnccc1C 62a_100000038162_100000690890 [1,0,1,0,0,0|2,0,0]=4 2039 B12R1.267 C#CCSCc1ncccc1C 62a_100000038162_100000696600 [1,0,1,0,0,0|2,0,0]=4 2040 B12R1.267 C=CCNCc1ccccc1C 2230a_100020586998_100000211839 [1,0,1,0,0,0|0,0,2]=4 2041 B12R1.267 C=CCNCc1ccccc1C 270004a_100020586998_100000211143 [1,0,1,0,0,0|0,0,2]=4 2042 B12R1.267 C=CCNCc1ccccc1C 34a_100000174972_100015514636 [1,0,1,0,0,0|0,0,2]=4 2043 B12R1.267 CCCNCc1ccccc1C 207a_100020643023_100000211143 [1,0,1,0,0,0|0,0,2]=4 2044 B12R1.267 CCCNCc1ccccc1C 270004a_100020643023_100000211143 [1,0,1,0,0,0|0,0,2]=4 2045 B12R1.267 CCCNCc1ccccc1C 34a_100000174972_100000210303 [1,0,1,0,0,0|0,0,2]=4 2046 B12R1.267 CSCNCc1ccccc1C 34a_100000174972_100011218213 [1,0,1,0,0,0|1,0,1]=4 2047 B12R1.267 Cc1ccccc1CNCC=O 34a_100000174972_200009817547 [1,0,1,0,0,0|1,0,1]=4 2048 B12R1.267 Cc1ccccc1CNCCF 34a_100000174972_100011217306 [1,0,1,0,0,0|1,0,1]=4 2049 B12R1.267 Cc1ccccc1CNCCF 34a_100000724931_100000211839 [1,0,1,0,0,0|1,0,1]=4 2050 B12R1.267 Cc1ccccc1CNCCO 207a_100000210304_100000211143 [1,0,1,0,0,0|1,0,1]=4 2051 B12R1.267 Cc1ccccc1CNCCO 2230a_100016997473_100000211839 [1,0,1,0,0,0|1,0,1]=4 2052 B12R1.267 Cc1ccccc1CNCCO 270004a_100000210304_100000211143 [1,0,1,0,0,0|1,0,1]=4 2053 B12R1.267 Cc1ccccc1CNCCO 34a_100000174972_100000211926 [1,0,1,0,0,0|1,0,1]=4 2054 B12R1.267 Cc1ccccc1CNCCO 34a_100016990907_100000211839 [1,0,1,0,0,0|1,0,1]=4 2055 B12R1.267 Cc1ccccc1COCC#N 7a_100000698903_100011215382 [1,0,1,0,0,0|2,0,0]=4 2056 B12R1.267 Cc1ccccc1CSCC#N 62a_100000211839_100011215382 [1,0,1,0,0,0|2,0,0]=4 2057 B12R1.267 Cc1ccccc1CSCC#N 62a_100011215382_100000211839 [1,0,1,0,0,0|2,0,0]=4 2058 B12R1.267 N#CCNCc1ccccc1Br 2230a_100000689332_100011215382 [1,0,1,0,0,0|2,0,0]=4 2059 B12R1.267 N#CCNCc1ccccc1Cl 2230a_100000174879_100011215382 [1,0,1,0,0,0|2,0,0]=4 2060 B12R1.308 C#CCC(=O)c1ccccc1C 1458a_100000212026_100000184674 [1,0,1,0,0,0|1,0,1]=4 2061 B12R1.308 C#CCN(C)c1ccccc1Br 2230a_100020606079_100000038162 [1,0,1,0,0,0|2,0,0]=4 2062 B12R1.308 C#CCN(C)c1ccccc1Br 34a_100020606079_100000184674 [1,0,1,0,0,0|2,0,0]=4 2063 B12R1.308 C#CCN(C)c1ccccc1C 2230a_100000219699_100000038162 [1,0,1,0,0,0|1,0,0]=3 2064 B12R1.308 C#CCN(C)c1ccccc1C 34a_100000219699_100000184674 [1,0,1,0,0,0|1,0,0]=3 2065 B12R1.308 C#CCN(C)c1ccccc1Cl 2230a_100000219374_100000038162 [1,0,1,0,0,0|2,0,0]=4 2066 B12R1.308 C#CCN(C)c1ccccc1Cl 34a_100000219374_100000184674 [1,0,1,0,0,0|2,0,0]=4 2067 B12R1.308 C#CCN(C)c1ccccc1F 2230a_100000220357_100000038162 [1,0,1,0,0,0|2,0,0]=4 2068 B12R1.308 C#CCN(C)c1ccccc1F 34a_100000220357_100000184674 [1,0,1,0,0,0|2,0,0]=4 2069 B12R1.308 C#CCN(C)c1ccccc1F 38a_100000220357_100000184674 [1,0,1,0,0,0|2,0,0]=4 2070 B12R1.308 C#CCN(C)c1ccncc1C 27a_100000225692_100000765111 [1,0,1,0,0,0|2,0,0]=4 2071 B12R1.308 CC(NCF)c1ccccc1Cl 34a_100000174978_100015361967 [1,0,1,0,0,0|2,0,0]=4 2072 B12R1.308 CC(NCF)c1ccccc1F 34a_100000181408_100015361967 [1,0,1,0,0,0|2,0,0]=4 2073 B12R1.308 CCNC(C)c1ccccc1Br 2230a_100000181357_100000210202 [1,0,1,0,0,0|1,0,1]=4 2074 B12R1.308 CCNC(C)c1ccccc1Br 269862a_100015525214_100000187085 [1,0,1,0,0,0|1,0,1]=4 2075 B12R1.308 CCNC(C)c1ccccc1C 2230a_100000181355_100000210202 [1,0,1,0,0,0|0,0,1]=3 2076 B12R1.308 CCNC(C)c1ccccc1C 269862a_100015525214_100000211656 [1,0,1,0,0,0|0,0,1]=3 2077 B12R1.308 CCNC(C)c1ccccc1C 34a_100000181355_100000210202 [1,0,1,0,0,0|0,0,1]=3 2078 B12R1.308 CCNC(C)c1ccccc1Cl 2230a_100000174978_100000210202 [1,0,1,0,0,0|1,0,1]=4 2079 B12R1.308 CCNC(C)c1ccccc1Cl 2230a_100015525214_100000181259 [1,0,1,0,0,0|1,0,1]=4 2080 B12R1.308 CCNC(C)c1ccccc1Cl 269862a_100015525214_100000210134 [1,0,1,0,0,0|1,0,1]=4 2081 B12R1.308 CCNC(C)c1ccccc1Cl 34a_100000174978_100000210202 [1,0,1,0,0,0|1,0,1]=4 2082 B12R1.308 CCNC(C)c1ccccc1F 2230a_100000181408_100000210202 [1,0,1,0,0,0|1,0,1]=4 2083 B12R1.308 CCNC(C)c1ccccc1F 2230a_100015525214_200000741388 [1,0,1,0,0,0|1,0,1]=4 2084 B12R1.308 CCNC(C)c1ccccc1F 269862a_100015525214_100000210632 [1,0,1,0,0,0|1,0,1]=4 2085 B12R1.308 CCNC(C)c1ccccc1F 34a_100000181408_100000210202 [1,0,1,0,0,0|1,0,1]=4 2086 B12R1.308 CCNC(C)c1ccccc1I 269862a_100015525214_100000751169 [1,0,1,0,0,0|1,0,1]=4 2087 B12R1.308 CCNC(C)c1cccnc1C 269862a_100015525214_100011995960 [1,0,1,0,0,0|1,0,1]=4 2088 B12R1.308 CCNC(C)c1cnccc1C 269862a_100015525214_100000693228 [1,0,1,0,0,0|1,0,1]=4 2089 B12R1.308 CCNC(C)c1ncccc1C 2230a_100011536111_100000210202 [1,0,1,0,0,0|1,0,1]=4 2090 B12R1.308 CCNC(C)c1ncccc1C 269862a_100015525214_100011536074 [1,0,1,0,0,0|1,0,1]=4 2091 B12R1.308 CCN[C@H](C)c1ccccc1O 2230a_100025703389_100000210202 [1,0,1,0,0,0|1,0,1]=4 2092 B12R1.308 CCOC(C)c1ccccc1C 34a_100000742021_100000210202 [1,0,1,0,0,0|1,0,1]=4 2093 B12R1.308 CCOC(C)c1ccccc1C 7a_100000742021_100000210202 [1,0,1,0,0,0|1,0,1]=4 2094 B12R1.308 Cc1ccccc1C(C)NCF 34a_100000181355_100015361967 [1,0,1,0,0,0|1,0,0]=3 2095 B12R1.308 Cc1ccccc1C(C)OCF 34a_100000742021_100015361967 [1,0,1,0,0,0|2,0,0]=4 2096 B12R1.308 Cc1ccccc1C(C)OCF 7a_100000742021_100015361967 [1,0,1,0,0,0|2,0,0]=4 2097 B12R1.308 Cc1ccccc1N(C)CC#N 2230a_100000219699_100011215382 [1,0,1,0,0,0|2,0,0]=4 2098 B12R1.308 Cc1ccccc1N(C)CC#N 269982a_100000219699_100011214920 [1,0,1,0,0,0|2,0,0]=4 2099 B12R2.1 CNC1CCc2c1cccc2 2230a_106832991635_200000721974 [2,0,0,0,0,0|0,0,0]=2 2100 B12R2.1 CNC1CCc2c1cccc2 269862a_106832991636_100000212051 [2,0,0,0,0,0|0,0,0]=2 2101 B12R2.1 CNC1COc2c1cccc2 2230a_100000747519_200000210301 [2,0,0,0,0,0|1,0,0]=3 2102 B12R2.1 CN[C@H]1CCc2c1cccc2 2230a_100016989578_200000210301 [2,0,0,0,0,0|0,0,0]=2 2103 B12R2.1 CN[C@H]1CCc2c1cccc2 34a_100016989578_200000210301 [2,0,0,0,0,0|0,0,0]=2 2104 B12R2.1 COC1CCc2c1cccc2 34a_100000212247_200000210301 [2,0,0,0,0,0|1,0,0]=3 2105 B12R2.1 COC1CCc2c1cccc2 7a_100000212247_200000210301 [2,0,0,0,0,0|1,0,0]=3 2106 B12R2.1 CSC1CCc2c1cccc2 62a_200000210301_200000721974 [2,0,0,0,0,0|1,0,0]=3 2107 B12R2.1 [13CH3]NC1COc2c1cccc2 2230a_100000747519_200025704644 [2,0,0,0,0,0|1,0,0]=3 2108 B12R2.1 [13CH3]N[C@H]1CCc2c1cccc2 2230a_100016989578_200025704644 [2,0,0,0,0,0|0,0,0]=2 2109 B12R2.1 [13CH3]N[C@H]1CCc2c1cccc2 34a_100016989578_200025704644 [2,0,0,0,0,0|0,0,0]=2 2110 B12R2.1 [13CH3]OC1CCc2c1cccc2 34a_100000212247_200025704644 [2,0,0,0,0,0|1,0,0]=3 2111 B12R2.1 [13CH3]OC1CCc2c1cccc2 7a_100000212247_200025704644 [2,0,0,0,0,0|1,0,0]=3 2112 B12R2.1 [13CH3]SC1CCc2c1cccc2 62a_200025704644_200000721974 [2,0,0,0,0,0|1,0,0]=3 2113 B14R1.21 C#CCCN(CC)c1ccc(cc1)Br 2230a_100000219632_100000688953 [0,1,1,0,0,0|2,0,0]=4 2114 B14R1.21 C#CCCN(CC)c1ccc(cc1)Br 269982a_100000219632_100000730999 [0,1,1,0,0,0|2,0,0]=4 2115 B14R1.21 C#CCCN(CC)c1ccc(cc1)Br 34a_100000219632_100000688953 [0,1,1,0,0,0|2,0,0]=4 2116 B14R1.21 C#CCCN(CC)c1ccc(cc1)C 2230a_100000219985_100000688953 [0,1,1,0,0,0|2,0,0]=4 2117 B14R1.21 C#CCCN(CC)c1ccc(cc1)C 269982a_100000219985_100000730999 [0,1,1,0,0,0|2,0,0]=4 2118 B14R1.21 C#CCCN(CC)c1ccc(cc1)C 34a_100000219985_100000688953 [0,1,1,0,0,0|2,0,0]=4 2119 B14R1.21 C#CCCN(CC)c1ccc(cc1)Cl 2230a_100000220165_100000688953 [0,1,1,0,0,0|2,0,0]=4 2120 B14R1.21 C#CCCN(CC)c1ccc(cc1)Cl 269982a_100000220165_100000730999 [0,1,1,0,0,0|2,0,0]=4 2121 B14R1.21 C#CCCN(CC)c1ccc(cc1)Cl 34a_100000220165_100000688953 [0,1,1,0,0,0|2,0,0]=4 2122 B14R1.21 C#CCCN(CC)c1ccc(cc1)F 2230a_100102640331_100000688953 [0,1,1,0,0,0|2,0,0]=4 2123 B14R1.21 C#CCCN(CC)c1ccc(cc1)F 269982a_100102640331_100000730999 [0,1,1,0,0,0|2,0,0]=4 2124 B14R1.21 C#CCCN(CC)c1ccc(cc1)F 34a_100102640331_100000688953 [0,1,1,0,0,0|2,0,0]=4 2125 B14R1.21 C#CCCN(CC)c1ccc(cc1)O 2230a_100011337800_100000688953 [0,1,1,0,0,0|2,0,0]=4 2126 B14R1.21 C#CCCN(CC)c1ccc(cc1)O 269982a_100011337800_100000730999 [0,1,1,0,0,0|2,0,0]=4 2127 B14R1.21 C#CCCN(CC)c1ccc(cc1)O 34a_100011337800_100000688953 [0,1,1,0,0,0|2,0,0]=4 2128 B14R1.21 C#CCNC(C#N)c1ccc(cc1)Cl 2230a_100000747793_100000038162 [0,1,1,0,0,0|1,0,1]=4 2129 B14R1.21 C#CCNC(C#N)c1ccc(cc1)F 2230a_100020612109_100000038162 [0,1,1,0,0,0|1,0,1]=4 2130 B14R1.21 C#CCNC(C#N)c1ccc(cc1)F 34a_100020612109_100000184674 [0,1,1,0,0,0|1,0,1]=4 2131 B14R1.21 C#CCNC(CC)c1ccc(cc1)C 2230a_100000749201_100000038162 [0,1,1,0,0,0|0,0,0]=2 2132 B14R1.21 C#CCNC(CC)c1ccc(cc1)C 34a_100000749201_100000184674 [0,1,1,0,0,0|0,0,0]=2 2133 B14R1.21 C#CCNC(CC)c1ccc(cc1)F 2230a_100011191751_100000038162 [0,1,1,0,0,0|0,0,0]=2 2134 B14R1.21 C#CCNC(CC)c1ccc(cc1)F 34a_100011191751_100000184674 [0,1,1,0,0,0|0,0,0]=2 2135 B14R1.21 C#CCNC(CC)c1ccc(cc1)O 34a_100015187210_100000184674 [0,1,1,0,0,0|0,0,0]=2 2136 B14R1.21 C#CCNC(CC)c1ccc(cn1)C 2230a_100015185231_100000038162 [0,1,1,0,0,0|1,0,0]=3 2137 B14R1.21 C#CCNC(CO)c1ccc(cc1)Br 2230a_100000734186_100000038162 [0,1,1,0,0,0|1,0,0]=3 2138 B14R1.21 C#CCNC(CO)c1ccc(cc1)Br 34a_100000734186_100000184674 [0,1,1,0,0,0|1,0,0]=3 2139 B14R1.21 C#CCNC(CO)c1ccc(cc1)F 2230a_100000705410_100000038162 [0,1,1,0,0,0|1,0,0]=3 2140 B14R1.21 C#CCNC(CO)c1ccc(cc1)F 34a_100000705410_100000184674 [0,1,1,0,0,0|1,0,0]=3 2141 B14R1.21 C#CCN[C@@H](CC)c1ccc(cc1)Br 2230a_100025736560_100000038162 [0,1,1,0,0,0|0,0,0]=2 2142 B14R1.21 C#CCN[C@@H](CC)c1ccc(cc1)Br 34a_100025736560_100000184674 [0,1,1,0,0,0|0,0,0]=2 2143 B14R1.21 C#CCN[C@@H](CC)c1ccc(cc1)Cl 2230a_100015186824_100000038162 [0,1,1,0,0,0|0,0,0]=2 2144 B14R1.21 C#CCN[C@@H](CC)c1ccc(cc1)Cl 34a_100015186824_100000184674 [0,1,1,0,0,0|0,0,0]=2 2145 B14R1.21 C#CCN[C@@H](CO)c1ccc(cc1)C 2230a_100009818840_100000038162 [0,1,1,0,0,0|1,0,0]=3 2146 B14R1.21 C#CCN[C@@H](CO)c1ccc(cc1)C 34a_100009818840_100000184674 [0,1,1,0,0,0|1,0,0]=3 2147 B14R1.21 C#CCN[C@H](CO)c1ccc(cc1)Cl 2230a_100009818818_100000038162 [0,1,1,0,0,0|1,0,0]=3 2148 B14R1.21 C#CCN[C@H](CO)c1ccc(cc1)Cl 34a_100009818818_100000184674 [0,1,1,0,0,0|1,0,0]=3 2149 B14R1.21 C#CCOC(CC)c1ccc(cc1)Br 34a_100000246506_100000184674 [0,1,1,0,0,0|1,0,0]=3 2150 B14R1.21 C#CCOC(CC)c1ccc(cc1)Br 7a_100000246506_100000038162 [0,1,1,0,0,0|1,0,0]=3 2151 B14R1.21 C#CCOC(CC)c1ccc(cc1)C 34a_100000246521_100000184674 [0,1,1,0,0,0|1,0,0]=3 2152 B14R1.21 C#CCOC(CC)c1ccc(cc1)C 7a_100000246521_100000038162 [0,1,1,0,0,0|1,0,0]=3 2153 B14R1.21 C#CCOC(CC)c1ccc(cc1)Cl 34a_100000246471_100000184674 [0,1,1,0,0,0|1,0,0]=3 2154 B14R1.21 C#CCOC(CC)c1ccc(cc1)Cl 7a_100000246471_100000038162 [0,1,1,0,0,0|1,0,0]=3 2155 B14R1.21 C#CCOC(CC)c1ccc(cc1)F 34a_100000246474_100000184674 [0,1,1,0,0,0|1,0,0]=3 2156 B14R1.21 C#CCOC(CC)c1ccc(cc1)F 7a_100000246474_100000038162 [0,1,1,0,0,0|1,0,0]=3 2157 B14R1.21 C#CCOC(CCl)c1ccc(cc1)Cl 34a_200011996143_100000184674 [0,1,1,0,0,0|2,0,0]=4 2158 B14R1.21 C#CCOC(CCl)c1ccc(cc1)Cl 7a_200011996143_100000038162 [0,1,1,0,0,0|2,0,0]=4 2159 B14R1.21 C#CCOC(CN)c1ccc(cc1)Br 34a_100020626992_100000184674 [0,1,1,0,0,0|2,0,0]=4 2160 B14R1.21 C#CCOC(CN)c1ccc(cc1)Cl 34a_100000736658_100000184674 [0,1,1,0,0,0|2,0,0]=4 2161 B14R1.21 C#CCO[C@@H](CCl)c1ccc(cc1)F 34a_100000720402_100000184674 [0,1,1,0,0,0|2,0,0]=4 2162 B14R1.21 C#CCO[C@@H](CCl)c1ccc(cc1)F 7a_100000720402_100000038162 [0,1,1,0,0,0|2,0,0]=4 2163 B14R1.21 C=CCNC(CC)c1ccc(cc1)C 2230a_100000749201_100000210623 [0,1,1,0,0,0|0,0,2]=4 2164 B14R1.21 C=CCNC(CC)c1ccc(cc1)C 34a_100000749201_100015514636 [0,1,1,0,0,0|0,0,2]=4 2165 B14R1.21 C=CCNC(CC)c1ccc(cc1)F 2230a_100011191751_100000210623 [0,1,1,0,0,0|0,0,2]=4 2166 B14R1.21 C=CCNC(CC)c1ccc(cc1)F 34a_100011191751_100015514636 [0,1,1,0,0,0|0,0,2]=4 2167 B14R1.21 C=CCNC(CC)c1ccc(cc1)O 34a_100015187210_100015514636 [0,1,1,0,0,0|0,0,2]=4 2168 B14R1.21 C=CCN[C@@H](CC)c1ccc(cc1)Br 2230a_100025736560_100000210623 [0,1,1,0,0,0|0,0,2]=4 2169 B14R1.21 C=CCN[C@@H](CC)c1ccc(cc1)Br 34a_100025736560_100015514636 [0,1,1,0,0,0|0,0,2]=4 2170 B14R1.21 C=CCN[C@@H](CC)c1ccc(cc1)Cl 2230a_100015186824_100000210623 [0,1,1,0,0,0|0,0,2]=4 2171 B14R1.21 C=CCN[C@@H](CC)c1ccc(cc1)Cl 34a_100015186824_100015514636 [0,1,1,0,0,0|0,0,2]=4 2172 B14R1.21 CCC(NCC#N)c1ccc(cc1)C 2230a_100000749201_100011215382 [0,1,1,0,0,0|1,0,0]=3 2173 B14R1.21 CCC(NCC#N)c1ccc(cc1)F 2230a_100011191751_100011215382 [0,1,1,0,0,0|1,0,0]=3 2174 B14R1.21 CCC(NCC#N)c1ccc(cn1)C 2230a_100015185231_100011215382 [0,1,1,0,0,0|2,0,0]=4 2175 B14R1.21 CCC(NCC=O)c1ccc(cc1)C 2230a_100000749201_200015260668 [0,1,1,0,0,0|1,0,1]=4 2176 B14R1.21 CCC(NCC=O)c1ccc(cc1)C 34a_100000749201_200009817547 [0,1,1,0,0,0|1,0,1]=4 2177 B14R1.21 CCC(NCC=O)c1ccc(cc1)F 2230a_100011191751_200015260668 [0,1,1,0,0,0|1,0,1]=4 2178 B14R1.21 CCC(NCC=O)c1ccc(cc1)F 34a_100011191751_200009817547 [0,1,1,0,0,0|1,0,1]=4 2179 B14R1.21 CCC(NCC=O)c1ccc(cc1)O 34a_100015187210_200009817547 [0,1,1,0,0,0|1,0,1]=4 2180 B14R1.21 CCC(NCCF)c1ccc(cc1)Br 269862a_100000724931_100000211647 [0,1,1,0,0,0|1,0,1]=4 2181 B14R1.21 CCC(NCCF)c1ccc(cc1)C 2230a_100000749201_100011217306 [0,1,1,0,0,0|1,0,1]=4 2182 B14R1.21 CCC(NCCF)c1ccc(cc1)C 269862a_100000724931_100000185863 [0,1,1,0,0,0|1,0,1]=4 2183 B14R1.21 CCC(NCCF)c1ccc(cc1)C 34a_100000749201_100011217306 [0,1,1,0,0,0|1,0,1]=4 2184 B14R1.21 CCC(NCCF)c1ccc(cc1)Cl 269862a_100000724931_100000210983 [0,1,1,0,0,0|1,0,1]=4 2185 B14R1.21 CCC(NCCF)c1ccc(cc1)F 2230a_100011191751_100011217306 [0,1,1,0,0,0|1,0,1]=4 2186 B14R1.21 CCC(NCCF)c1ccc(cc1)F 269862a_100000724931_100000211089 [0,1,1,0,0,0|1,0,1]=4 2187 B14R1.21 CCC(NCCF)c1ccc(cc1)F 34a_100011191751_100011217306 [0,1,1,0,0,0|1,0,1]=4 2188 B14R1.21 CCC(NCCF)c1ccc(cc1)I 269862a_100000724931_100000763097 [0,1,1,0,0,0|1,0,1]=4 2189 B14R1.21 CCC(NCCF)c1ccc(cc1)O 34a_100015187210_100011217306 [0,1,1,0,0,0|1,0,1]=4 2190 B14R1.21 CCC(NCCO)c1ccc(cc1)Br 269862a_100000210304_100000211647 [0,1,1,0,0,0|1,0,1]=4 2191 B14R1.21 CCC(NCCO)c1ccc(cc1)C 2230a_100000749201_100000211926 [0,1,1,0,0,0|1,0,1]=4 2192 B14R1.21 CCC(NCCO)c1ccc(cc1)C 269862a_100000210304_100000185863 [0,1,1,0,0,0|1,0,1]=4 2193 B14R1.21 CCC(NCCO)c1ccc(cc1)C 34a_100000749201_100000211926 [0,1,1,0,0,0|1,0,1]=4 2194 B14R1.21 CCC(NCCO)c1ccc(cc1)Cl 269862a_100000210304_100000210983 [0,1,1,0,0,0|1,0,1]=4 2195 B14R1.21 CCC(NCCO)c1ccc(cc1)F 2230a_100011191751_100000211926 [0,1,1,0,0,0|1,0,1]=4 2196 B14R1.21 CCC(NCCO)c1ccc(cc1)F 269862a_100000210304_100000211089 [0,1,1,0,0,0|1,0,1]=4 2197 B14R1.21 CCC(NCCO)c1ccc(cc1)F 34a_100011191751_100000211926 [0,1,1,0,0,0|1,0,1]=4 2198 B14R1.21 CCC(NCCO)c1ccc(cc1)I 269862a_100000210304_100000763097 [0,1,1,0,0,0|1,0,1]=4 2199 B14R1.21 CCC(NCCO)c1ccc(cc1)O 34a_100015187210_100000211926 [0,1,1,0,0,0|1,0,1]=4 2200 B14R1.21 CCC(NCOC)c1ccc(cc1)C 2230a_100000749201_100000766300 [0,1,1,0,0,0|1,0,1]=4 2201 B14R1.21 CCC(NCOC)c1ccc(cc1)F 2230a_100011191751_100000766300 [0,1,1,0,0,0|1,0,1]=4 2202 B14R1.21 CCC(NCSC)c1ccc(cc1)C 2230a_100000749201_100011218213 [0,1,1,0,0,0|1,0,1]=4 2203 B14R1.21 CCC(NCSC)c1ccc(cc1)C 34a_100000749201_100011218213 [0,1,1,0,0,0|1,0,1]=4 2204 B14R1.21 CCC(NCSC)c1ccc(cc1)F 2230a_100011191751_100011218213 [0,1,1,0,0,0|1,0,1]=4 2205 B14R1.21 CCC(NCSC)c1ccc(cc1)F 34a_100011191751_100011218213 [0,1,1,0,0,0|1,0,1]=4 2206 B14R1.21 CCC(NCSC)c1ccc(cc1)O 34a_100015187210_100011218213 [0,1,1,0,0,0|1,0,1]=4 2207 B14R1.21 CCC(OCC#N)c1ccc(cc1)Br 7a_100000246506_100011215382 [0,1,1,0,0,0|2,0,0]=4 2208 B14R1.21 CCC(OCC#N)c1ccc(cc1)C 7a_100000246521_100011215382 [0,1,1,0,0,0|2,0,0]=4 2209 B14R1.21 CCC(OCC#N)c1ccc(cc1)Cl 7a_100000246471_100011215382 [0,1,1,0,0,0|2,0,0]=4 2210 B14R1.21 CCC(OCC#N)c1ccc(cc1)F 7a_100000246474_100011215382 [0,1,1,0,0,0|2,0,0]=4 2211 B14R1.21 CCCNC(CC)c1ccc(cc1)Br 269862a_100020643023_100000211647 [0,1,1,0,0,0|0,0,2]=4 2212 B14R1.21 CCCNC(CC)c1ccc(cc1)C 2230a_100000749201_100000210303 [0,1,1,0,0,0|0,0,2]=4 2213 B14R1.21 CCCNC(CC)c1ccc(cc1)C 269862a_100020643023_100000185863 [0,1,1,0,0,0|0,0,2]=4 2214 B14R1.21 CCCNC(CC)c1ccc(cc1)C 34a_100000749201_100000210303 [0,1,1,0,0,0|0,0,2]=4 2215 B14R1.21 CCCNC(CC)c1ccc(cc1)Cl 269862a_100020643023_100000210983 [0,1,1,0,0,0|0,0,2]=4 2216 B14R1.21 CCCNC(CC)c1ccc(cc1)F 2230a_100011191751_100000210303 [0,1,1,0,0,0|0,0,2]=4 2217 B14R1.21 CCCNC(CC)c1ccc(cc1)F 269862a_100020643023_100000211089 [0,1,1,0,0,0|0,0,2]=4 2218 B14R1.21 CCCNC(CC)c1ccc(cc1)F 34a_100011191751_100000210303 [0,1,1,0,0,0|0,0,2]=4 2219 B14R1.21 CCCNC(CC)c1ccc(cc1)I 269862a_100020643023_100000763097 [0,1,1,0,0,0|0,0,2]=4 2220 B14R1.21 CCCNC(CC)c1ccc(cc1)O 34a_100015187210_100000210303 [0,1,1,0,0,0|0,0,2]=4 2221 B14R1.21 CCCN[C@@H](CC)c1ccc(cc1)Br 2230a_100025736560_100000210303 [0,1,1,0,0,0|0,0,2]=4 2222 B14R1.21 CCCN[C@@H](CC)c1ccc(cc1)Br 34a_100025736560_100000210303 [0,1,1,0,0,0|0,0,2]=4 2223 B14R1.21 CCCN[C@@H](CC)c1ccc(cc1)Cl 2230a_100015186824_100000210303 [0,1,1,0,0,0|0,0,2]=4 2224 B14R1.21 CCCN[C@@H](CC)c1ccc(cc1)Cl 34a_100015186824_100000210303 [0,1,1,0,0,0|0,0,2]=4 2225 B14R1.21 CC[C@H](NCC#N)c1ccc(cc1)Br 2230a_100025736560_100011215382 [0,1,1,0,0,0|1,0,0]=3 2226 B14R1.21 CC[C@H](NCC#N)c1ccc(cc1)Cl 2230a_100015186824_100011215382 [0,1,1,0,0,0|1,0,0]=3 2227 B14R1.21 CC[C@H](NCC=O)c1ccc(cc1)Br 2230a_100025736560_200015260668 [0,1,1,0,0,0|1,0,1]=4 2228 B14R1.21 CC[C@H](NCC=O)c1ccc(cc1)Br 34a_100025736560_200009817547 [0,1,1,0,0,0|1,0,1]=4 2229 B14R1.21 CC[C@H](NCC=O)c1ccc(cc1)Cl 2230a_100015186824_200015260668 [0,1,1,0,0,0|1,0,1]=4 2230 B14R1.21 CC[C@H](NCC=O)c1ccc(cc1)Cl 34a_100015186824_200009817547 [0,1,1,0,0,0|1,0,1]=4 2231 B14R1.21 CC[C@H](NCCF)c1ccc(cc1)Br 2230a_100025736560_100011217306 [0,1,1,0,0,0|1,0,1]=4 2232 B14R1.21 CC[C@H](NCCF)c1ccc(cc1)Br 34a_100025736560_100011217306 [0,1,1,0,0,0|1,0,1]=4 2233 B14R1.21 CC[C@H](NCCF)c1ccc(cc1)Cl 2230a_100015186824_100011217306 [0,1,1,0,0,0|1,0,1]=4 2234 B14R1.21 CC[C@H](NCCF)c1ccc(cc1)Cl 34a_100015186824_100011217306 [0,1,1,0,0,0|1,0,1]=4 2235 B14R1.21 CC[C@H](NCCO)c1ccc(cc1)Br 2230a_100025736560_100000211926 [0,1,1,0,0,0|1,0,1]=4 2236 B14R1.21 CC[C@H](NCCO)c1ccc(cc1)Br 34a_100025736560_100000211926 [0,1,1,0,0,0|1,0,1]=4 2237 B14R1.21 CC[C@H](NCCO)c1ccc(cc1)Cl 2230a_100015186824_100000211926 [0,1,1,0,0,0|1,0,1]=4 2238 B14R1.21 CC[C@H](NCCO)c1ccc(cc1)Cl 34a_100015186824_100000211926 [0,1,1,0,0,0|1,0,1]=4 2239 B14R1.21 CC[C@H](NCOC)c1ccc(cc1)Br 2230a_100025736560_100000766300 [0,1,1,0,0,0|1,0,1]=4 2240 B14R1.21 CC[C@H](NCOC)c1ccc(cc1)Cl 2230a_100015186824_100000766300 [0,1,1,0,0,0|1,0,1]=4 2241 B14R1.21 CC[C@H](NCSC)c1ccc(cc1)Br 2230a_100025736560_100011218213 [0,1,1,0,0,0|1,0,1]=4 2242 B14R1.21 CC[C@H](NCSC)c1ccc(cc1)Br 34a_100025736560_100011218213 [0,1,1,0,0,0|1,0,1]=4 2243 B14R1.21 CC[C@H](NCSC)c1ccc(cc1)Cl 2230a_100015186824_100011218213 [0,1,1,0,0,0|1,0,1]=4 2244 B14R1.21 CC[C@H](NCSC)c1ccc(cc1)Cl 34a_100015186824_100011218213 [0,1,1,0,0,0|1,0,1]=4 2245 B14R1.21 Cc1ccc(cc1)[C@H](CO)NCC#N 2230a_100009818840_100011215382 [0,1,1,0,0,0|2,0,0]=4 2246 B14R1.21 N#CCNC(CO)c1ccc(cc1)Br 2230a_100000734186_100011215382 [0,1,1,0,0,0|2,0,0]=4 2247 B14R1.21 N#CCNC(CO)c1ccc(cc1)F 2230a_100000705410_100011215382 [0,1,1,0,0,0|2,0,0]=4 2248 B14R1.21 N#CCN[C@H](CO)c1ccc(cc1)Cl 2230a_100009818818_100011215382 [0,1,1,0,0,0|2,0,0]=4 2249 B14R1.22 C#CCCN(CC)c1cccc(c1)Br 2230a_100000738899_100000688953 [0,1,1,0,0,0|2,0,0]=4 2250 B14R1.22 C#CCCN(CC)c1cccc(c1)Br 269982a_100000738899_100000730999 [0,1,1,0,0,0|2,0,0]=4 2251 B14R1.22 C#CCCN(CC)c1cccc(c1)Br 34a_100000738899_100000688953 [0,1,1,0,0,0|2,0,0]=4 2252 B14R1.22 C#CCCN(CC)c1cccc(c1)C 2230a_100000182157_100000688953 [0,1,1,0,0,0|2,0,0]=4 2253 B14R1.22 C#CCCN(CC)c1cccc(c1)C 269982a_100000182157_100000730999 [0,1,1,0,0,0|2,0,0]=4 2254 B14R1.22 C#CCCN(CC)c1cccc(c1)C 34a_100000182157_100000688953 [0,1,1,0,0,0|2,0,0]=4 2255 B14R1.22 C#CCCN(CC)c1cccc(c1)C 7a_100000182157_100000688953 [0,1,1,0,0,0|2,0,0]=4 2256 B14R1.22 C#CCCN(CC)c1cccc(c1)O 2230a_100000717746_100000688953 [0,1,1,0,0,0|2,0,0]=4 2257 B14R1.22 C#CCCN(CC)c1cccc(c1)O 269982a_100000717746_100000730999 [0,1,1,0,0,0|2,0,0]=4 2258 B14R1.22 C#CCCN(CC)c1cccc(c1)O 34a_100000717746_100000688953 [0,1,1,0,0,0|2,0,0]=4 2259 B14R1.22 C#CCNC(CC)c1cccc(c1)Cl 2230a_100000737531_100000038162 [0,1,1,0,0,0|0,0,0]=2 2260 B14R1.22 C#CCNC(CC)c1cccc(c1)Cl 34a_100000737531_100000184674 [0,1,1,0,0,0|0,0,0]=2 2261 B14R1.22 C#CCNC(CC)c1cccc(c1)F 2230a_100159265421_100000038162 [0,1,1,0,0,0|0,0,0]=2 2262 B14R1.22 C#CCNC(CC)c1cccc(c1)F 34a_100159265421_100000184674 [0,1,1,0,0,0|0,0,0]=2 2263 B14R1.22 C#CCNC(CC)c1cccc(c1)O 2230a_100159312145_100000038162 [0,1,1,0,0,0|0,0,0]=2 2264 B14R1.22 C#CCNC(CC)c1cccc(c1)O 34a_100159312145_100000184674 [0,1,1,0,0,0|0,0,0]=2 2265 B14R1.22 C#CCNC(CC)c1cccc(n1)C 2230a_100161156280_100000038162 [0,1,1,0,0,0|1,0,0]=3 2266 B14R1.22 C#CCNC(CO)c1cccc(c1)Br 2230a_100000690078_100000038162 [0,1,1,0,0,0|1,0,0]=3 2267 B14R1.22 C#CCNC(CO)c1cccc(c1)Br 34a_100000690078_100000184674 [0,1,1,0,0,0|1,0,0]=3 2268 B14R1.22 C#CCNC(CO)c1cccc(c1)O 2230a_100025717460_100000038162 [0,1,1,0,0,0|1,0,0]=3 2269 B14R1.22 C#CCNC(CO)c1cccc(c1)O 34a_100025717460_100000184674 [0,1,1,0,0,0|1,0,0]=3 2270 B14R1.22 C#CCNC(CO)c1cccc(n1)F 2230a_200020642391_100000038162 [0,1,1,0,0,0|2,0,0]=4 2271 B14R1.22 C#CCNC(CO)c1cccc(n1)F 34a_200020642391_100000184674 [0,1,1,0,0,0|2,0,0]=4 2272 B14R1.22 C#CCN[C@@H](CC)c1cccc(c1)Br 2230a_100102422761_100000038162 [0,1,1,0,0,0|0,0,0]=2 2273 B14R1.22 C#CCN[C@@H](CC)c1cccc(c1)Br 34a_100102422761_100000184674 [0,1,1,0,0,0|0,0,0]=2 2274 B14R1.22 C#CCN[C@@H](CO)c1cccc(c1)Cl 2230a_100032004910_100000038162 [0,1,1,0,0,0|1,0,0]=3 2275 B14R1.22 C#CCN[C@@H](CO)c1cccc(c1)Cl 34a_100032004910_100000184674 [0,1,1,0,0,0|1,0,0]=3 2276 B14R1.22 C#CCN[C@H](CC)c1cccc(c1)C 2230a_200016991486_100000038162 [0,1,1,0,0,0|0,0,0]=2 2277 B14R1.22 C#CCN[C@H](CC)c1cccc(c1)C 34a_200016991486_100000184674 [0,1,1,0,0,0|0,0,0]=2 2278 B14R1.22 C#CCN[C@H](CO)c1cccc(c1)C 2230a_100009818812_100000038162 [0,1,1,0,0,0|1,0,0]=3 2279 B14R1.22 C#CCN[C@H](CO)c1cccc(c1)C 34a_100009818812_100000184674 [0,1,1,0,0,0|1,0,0]=3 2280 B14R1.22 C#CCN[C@H](CO)c1cccc(c1)F 2230a_100020641251_100000038162 [0,1,1,0,0,0|1,0,0]=3 2281 B14R1.22 C#CCN[C@H](CO)c1cccc(c1)F 34a_100020641251_100000184674 [0,1,1,0,0,0|1,0,0]=3 2282 B14R1.22 C#CCOC(CC)c1cccc(c1)Cl 34a_100000766619_100000184674 [0,1,1,0,0,0|1,0,0]=3 2283 B14R1.22 C#CCOC(CC)c1cccc(c1)Cl 7a_100000766619_100000038162 [0,1,1,0,0,0|1,0,0]=3 2284 B14R1.22 C#CCOC(CC)c1cccc(c1)F 34a_100011350881_100000184674 [0,1,1,0,0,0|1,0,0]=3 2285 B14R1.22 C#CCOC(CC)c1cccc(c1)F 7a_100011350881_100000038162 [0,1,1,0,0,0|1,0,0]=3 2286 B14R1.22 C#CCOC(CC)c1cccc(c1)I 34a_200013212081_100000184674 [0,1,1,0,0,0|1,0,0]=3 2287 B14R1.22 C#CCOC(CC)c1cccc(c1)I 7a_200013212081_100000038162 [0,1,1,0,0,0|1,0,0]=3 2288 B14R1.22 C=CCNC(CC)c1cccc(c1)Cl 2230a_100000737531_100000210623 [0,1,1,0,0,0|0,0,2]=4 2289 B14R1.22 C=CCNC(CC)c1cccc(c1)Cl 34a_100000737531_100015514636 [0,1,1,0,0,0|0,0,2]=4 2290 B14R1.22 C=CCNC(CC)c1cccc(c1)F 2230a_100159265421_100000210623 [0,1,1,0,0,0|0,0,2]=4 2291 B14R1.22 C=CCNC(CC)c1cccc(c1)F 34a_100159265421_100015514636 [0,1,1,0,0,0|0,0,2]=4 2292 B14R1.22 C=CCNC(CC)c1cccc(c1)O 2230a_100159312145_100000210623 [0,1,1,0,0,0|0,0,2]=4 2293 B14R1.22 C=CCNC(CC)c1cccc(c1)O 34a_100159312145_100015514636 [0,1,1,0,0,0|0,0,2]=4 2294 B14R1.22 C=CCN[C@@H](CC)c1cccc(c1)Br 2230a_100102422761_100000210623 [0,1,1,0,0,0|0,0,2]=4 2295 B14R1.22 C=CCN[C@@H](CC)c1cccc(c1)Br 34a_100102422761_100015514636 [0,1,1,0,0,0|0,0,2]=4 2296 B14R1.22 C=CCN[C@H](CC)c1cccc(c1)C 2230a_200016991486_100000210623 [0,1,1,0,0,0|0,0,2]=4 2297 B14R1.22 C=CCN[C@H](CC)c1cccc(c1)C 34a_200016991486_100015514636 [0,1,1,0,0,0|0,0,2]=4 2298 B14R1.22 CCC(NCC#N)c1cccc(c1)Cl 2230a_100000737531_100011215382 [0,1,1,0,0,0|1,0,0]=3 2299 B14R1.22 CCC(NCC#N)c1cccc(c1)F 2230a_100159265421_100011215382 [0,1,1,0,0,0|1,0,0]=3 2300 B14R1.22 CCC(NCC#N)c1cccc(c1)O 2230a_100159312145_100011215382 [0,1,1,0,0,0|1,0,0]=3 2301 B14R1.22 CCC(NCC#N)c1cccc(n1)C 2230a_100161156280_100011215382 [0,1,1,0,0,0|2,0,0]=4 2302 B14R1.22 CCC(NCC=O)c1cccc(c1)Cl 2230a_100000737531_200015260668 [0,1,1,0,0,0|1,0,1]=4 2303 B14R1.22 CCC(NCC=O)c1cccc(c1)Cl 34a_100000737531_200009817547 [0,1,1,0,0,0|1,0,1]=4 2304 B14R1.22 CCC(NCC=O)c1cccc(c1)F 2230a_100159265421_200015260668 [0,1,1,0,0,0|1,0,1]=4 2305 B14R1.22 CCC(NCC=O)c1cccc(c1)F 34a_100159265421_200009817547 [0,1,1,0,0,0|1,0,1]=4 2306 B14R1.22 CCC(NCC=O)c1cccc(c1)O 2230a_100159312145_200015260668 [0,1,1,0,0,0|1,0,1]=4 2307 B14R1.22 CCC(NCC=O)c1cccc(c1)O 34a_100159312145_200009817547 [0,1,1,0,0,0|1,0,1]=4 2308 B14R1.22 CCC(NCCF)c1cccc(c1)Br 269862a_100000724931_100000211677 [0,1,1,0,0,0|1,0,1]=4 2309 B14R1.22 CCC(NCCF)c1cccc(c1)C 269862a_100000724931_100000730664 [0,1,1,0,0,0|1,0,1]=4 2310 B14R1.22 CCC(NCCF)c1cccc(c1)Cl 2230a_100000737531_100011217306 [0,1,1,0,0,0|1,0,1]=4 2311 B14R1.22 CCC(NCCF)c1cccc(c1)Cl 269862a_100000724931_100000211052 [0,1,1,0,0,0|1,0,1]=4 2312 B14R1.22 CCC(NCCF)c1cccc(c1)Cl 34a_100000737531_100011217306 [0,1,1,0,0,0|1,0,1]=4 2313 B14R1.22 CCC(NCCF)c1cccc(c1)F 2230a_100159265421_100011217306 [0,1,1,0,0,0|1,0,1]=4 2314 B14R1.22 CCC(NCCF)c1cccc(c1)F 269862a_100000724931_100000687998 [0,1,1,0,0,0|1,0,1]=4 2315 B14R1.22 CCC(NCCF)c1cccc(c1)F 34a_100159265421_100011217306 [0,1,1,0,0,0|1,0,1]=4 2316 B14R1.22 CCC(NCCF)c1cccc(c1)O 2230a_100159312145_100011217306 [0,1,1,0,0,0|1,0,1]=4 2317 B14R1.22 CCC(NCCF)c1cccc(c1)O 269862a_100000724931_100011996911 [0,1,1,0,0,0|1,0,1]=4 2318 B14R1.22 CCC(NCCF)c1cccc(c1)O 34a_100159312145_100011217306 [0,1,1,0,0,0|1,0,1]=4 2319 B14R1.22 CCC(NCCO)c1cccc(c1)Br 269862a_100000210304_100000211677 [0,1,1,0,0,0|1,0,1]=4 2320 B14R1.22 CCC(NCCO)c1cccc(c1)C 269862a_100000210304_100000730664 [0,1,1,0,0,0|1,0,1]=4 2321 B14R1.22 CCC(NCCO)c1cccc(c1)Cl 2230a_100000737531_100000211926 [0,1,1,0,0,0|1,0,1]=4 2322 B14R1.22 CCC(NCCO)c1cccc(c1)Cl 269862a_100000210304_100000211052 [0,1,1,0,0,0|1,0,1]=4 2323 B14R1.22 CCC(NCCO)c1cccc(c1)Cl 34a_100000737531_100000211926 [0,1,1,0,0,0|1,0,1]=4 2324 B14R1.22 CCC(NCCO)c1cccc(c1)F 2230a_100159265421_100000211926 [0,1,1,0,0,0|1,0,1]=4 2325 B14R1.22 CCC(NCCO)c1cccc(c1)F 269862a_100000210304_100000687998 [0,1,1,0,0,0|1,0,1]=4 2326 B14R1.22 CCC(NCCO)c1cccc(c1)F 34a_100159265421_100000211926 [0,1,1,0,0,0|1,0,1]=4 2327 B14R1.22 CCC(NCCO)c1cccc(c1)O 2230a_100159312145_100000211926 [0,1,1,0,0,0|1,0,1]=4 2328 B14R1.22 CCC(NCCO)c1cccc(c1)O 269862a_100000210304_100011996911 [0,1,1,0,0,0|1,0,1]=4 2329 B14R1.22 CCC(NCCO)c1cccc(c1)O 34a_100159312145_100000211926 [0,1,1,0,0,0|1,0,1]=4 2330 B14R1.22 CCC(NCOC)c1cccc(c1)Cl 2230a_100000737531_100000766300 [0,1,1,0,0,0|1,0,1]=4 2331 B14R1.22 CCC(NCOC)c1cccc(c1)F 2230a_100159265421_100000766300 [0,1,1,0,0,0|1,0,1]=4 2332 B14R1.22 CCC(NCOC)c1cccc(c1)O 2230a_100159312145_100000766300 [0,1,1,0,0,0|1,0,1]=4 2333 B14R1.22 CCC(NCSC)c1cccc(c1)Cl 2230a_100000737531_100011218213 [0,1,1,0,0,0|1,0,1]=4 2334 B14R1.22 CCC(NCSC)c1cccc(c1)Cl 34a_100000737531_100011218213 [0,1,1,0,0,0|1,0,1]=4 2335 B14R1.22 CCC(NCSC)c1cccc(c1)F 2230a_100159265421_100011218213 [0,1,1,0,0,0|1,0,1]=4 2336 B14R1.22 CCC(NCSC)c1cccc(c1)F 34a_100159265421_100011218213 [0,1,1,0,0,0|1,0,1]=4 2337 B14R1.22 CCC(NCSC)c1cccc(c1)O 2230a_100159312145_100011218213 [0,1,1,0,0,0|1,0,1]=4 2338 B14R1.22 CCC(NCSC)c1cccc(c1)O 34a_100159312145_100011218213 [0,1,1,0,0,0|1,0,1]=4 2339 B14R1.22 CCC(OCC#N)c1cccc(c1)Cl 7a_100000766619_100011215382 [0,1,1,0,0,0|2,0,0]=4 2340 B14R1.22 CCC(OCC#N)c1cccc(c1)F 7a_100011350881_100011215382 [0,1,1,0,0,0|2,0,0]=4 2341 B14R1.22 CCC(OCC#N)c1cccc(c1)I 7a_200013212081_100011215382 [0,1,1,0,0,0|2,0,0]=4 2342 B14R1.22 CCCNC(CC)c1cccc(c1)Br 269862a_100020643023_100000211677 [0,1,1,0,0,0|0,0,2]=4 2343 B14R1.22 CCCNC(CC)c1cccc(c1)C 269862a_100020643023_100000730664 [0,1,1,0,0,0|0,0,2]=4 2344 B14R1.22 CCCNC(CC)c1cccc(c1)Cl 2230a_100000737531_100000210303 [0,1,1,0,0,0|0,0,2]=4 2345 B14R1.22 CCCNC(CC)c1cccc(c1)Cl 269862a_100020643023_100000211052 [0,1,1,0,0,0|0,0,2]=4 2346 B14R1.22 CCCNC(CC)c1cccc(c1)Cl 34a_100000737531_100000210303 [0,1,1,0,0,0|0,0,2]=4 2347 B14R1.22 CCCNC(CC)c1cccc(c1)F 2230a_100159265421_100000210303 [0,1,1,0,0,0|0,0,2]=4 2348 B14R1.22 CCCNC(CC)c1cccc(c1)F 269862a_100020643023_100000687998 [0,1,1,0,0,0|0,0,2]=4 2349 B14R1.22 CCCNC(CC)c1cccc(c1)F 34a_100159265421_100000210303 [0,1,1,0,0,0|0,0,2]=4 2350 B14R1.22 CCCNC(CC)c1cccc(c1)O 2230a_100159312145_100000210303 [0,1,1,0,0,0|0,0,2]=4 2351 B14R1.22 CCCNC(CC)c1cccc(c1)O 269862a_100020643023_100011996911 [0,1,1,0,0,0|0,0,2]=4 2352 B14R1.22 CCCNC(CC)c1cccc(c1)O 34a_100159312145_100000210303 [0,1,1,0,0,0|0,0,2]=4 2353 B14R1.22 CCCN[C@@H](CC)c1cccc(c1)Br 2230a_100102422761_100000210303 [0,1,1,0,0,0|0,0,2]=4 2354 B14R1.22 CCCN[C@@H](CC)c1cccc(c1)Br 34a_100102422761_100000210303 [0,1,1,0,0,0|0,0,2]=4 2355 B14R1.22 CCCN[C@H](CC)c1cccc(c1)C 2230a_200016991486_100000210303 [0,1,1,0,0,0|0,0,2]=4 2356 B14R1.22 CCCN[C@H](CC)c1cccc(c1)C 34a_200016991486_100000210303 [0,1,1,0,0,0|0,0,2]=4 2357 B14R1.22 CC[C@@H](NCC#N)c1cccc(c1)C 2230a_200016991486_100011215382 [0,1,1,0,0,0|1,0,0]=3 2358 B14R1.22 CC[C@@H](NCC=O)c1cccc(c1)C 2230a_200016991486_200015260668 [0,1,1,0,0,0|1,0,1]=4 2359 B14R1.22 CC[C@@H](NCC=O)c1cccc(c1)C 34a_200016991486_200009817547 [0,1,1,0,0,0|1,0,1]=4 2360 B14R1.22 CC[C@@H](NCCF)c1cccc(c1)C 2230a_200016991486_100011217306 [0,1,1,0,0,0|1,0,1]=4 2361 B14R1.22 CC[C@@H](NCCF)c1cccc(c1)C 34a_200016991486_100011217306 [0,1,1,0,0,0|1,0,1]=4 2362 B14R1.22 CC[C@@H](NCCO)c1cccc(c1)C 2230a_200016991486_100000211926 [0,1,1,0,0,0|1,0,1]=4 2363 B14R1.22 CC[C@@H](NCCO)c1cccc(c1)C 34a_200016991486_100000211926 [0,1,1,0,0,0|1,0,1]=4 2364 B14R1.22 CC[C@@H](NCOC)c1cccc(c1)C 2230a_200016991486_100000766300 [0,1,1,0,0,0|1,0,1]=4 2365 B14R1.22 CC[C@@H](NCSC)c1cccc(c1)C 2230a_200016991486_100011218213 [0,1,1,0,0,0|1,0,1]=4 2366 B14R1.22 CC[C@@H](NCSC)c1cccc(c1)C 34a_200016991486_100011218213 [0,1,1,0,0,0|1,0,1]=4 2367 B14R1.22 CC[C@H](NCC#N)c1cccc(c1)Br 2230a_100102422761_100011215382 [0,1,1,0,0,0|1,0,0]=3 2368 B14R1.22 CC[C@H](NCC=O)c1cccc(c1)Br 2230a_100102422761_200015260668 [0,1,1,0,0,0|1,0,1]=4 2369 B14R1.22 CC[C@H](NCC=O)c1cccc(c1)Br 34a_100102422761_200009817547 [0,1,1,0,0,0|1,0,1]=4 2370 B14R1.22 CC[C@H](NCCF)c1cccc(c1)Br 2230a_100102422761_100011217306 [0,1,1,0,0,0|1,0,1]=4 2371 B14R1.22 CC[C@H](NCCF)c1cccc(c1)Br 34a_100102422761_100011217306 [0,1,1,0,0,0|1,0,1]=4 2372 B14R1.22 CC[C@H](NCCO)c1cccc(c1)Br 2230a_100102422761_100000211926 [0,1,1,0,0,0|1,0,1]=4 2373 B14R1.22 CC[C@H](NCCO)c1cccc(c1)Br 34a_100102422761_100000211926 [0,1,1,0,0,0|1,0,1]=4 2374 B14R1.22 CC[C@H](NCOC)c1cccc(c1)Br 2230a_100102422761_100000766300 [0,1,1,0,0,0|1,0,1]=4 2375 B14R1.22 CC[C@H](NCSC)c1cccc(c1)Br 2230a_100102422761_100011218213 [0,1,1,0,0,0|1,0,1]=4 2376 B14R1.22 CC[C@H](NCSC)c1cccc(c1)Br 34a_100102422761_100011218213 [0,1,1,0,0,0|1,0,1]=4 2377 B14R1.22 Cc1cccc(c1)[C@@H](CO)NCC#N 2230a_100009818812_100011215382 [0,1,1,0,0,0|2,0,0]=4 2378 B14R1.22 N#CCNC(CO)c1cccc(c1)Br 2230a_100000690078_100011215382 [0,1,1,0,0,0|2,0,0]=4 2379 B14R1.22 N#CCNC(CO)c1cccc(c1)O 2230a_100025717460_100011215382 [0,1,1,0,0,0|2,0,0]=4 2380 B14R1.22 N#CCN[C@@H](CO)c1cccc(c1)Cl 2230a_100032004910_100011215382 [0,1,1,0,0,0|2,0,0]=4 2381 B14R1.22 N#CCN[C@H](CO)c1cccc(c1)F 2230a_100020641251_100011215382 [0,1,1,0,0,0|2,0,0]=4 2382 B14R1.121 C#CCCCN(CC)c1ccccc1 2230a_100000210013_100000731252 [0,1,1,0,0,0|2,0,0]=4 2383 B14R1.121 C#CCCCN(CC)c1ccccc1 269982a_100000210013_100011215417 [0,1,1,0,0,0|2,0,0]=4 2384 B14R1.121 C#CCCCN(CC)c1ccccc1 34a_100000210013_100000695029 [0,1,1,0,0,0|2,0,0]=4 2385 B14R1.121 C#CCCNC(CC)c1ccccc1 2230a_100000737752_100000688953 [0,1,1,0,0,0|0,0,0]=2 2386 B14R1.121 C#CCCNC(CC)c1ccccn1 2230a_100015186561_100000688953 [0,1,1,0,0,0|1,0,0]=3 2387 B14R1.121 C#CCCNC(CC)c1cccnc1 2230a_100000246009_100000688953 [0,1,1,0,0,0|1,0,0]=3 2388 B14R1.121 C#CCCNC(CC)c1cnccn1 2230a_200016994365_100000688953 [0,1,1,0,0,0|2,0,0]=4 2389 B14R1.121 C#CCCNC(CO)c1ccccn1 2230a_100015196888_100000688953 [0,1,1,0,0,0|2,0,0]=4 2390 B14R1.121 C#CCCN[C@H](CO)c1ccccc1 2230a_100000751927_100000688953 [0,1,1,0,0,0|1,0,0]=3 2391 B14R1.121 C#CCCN[C@H](CO)c1ccccc1 34a_100000751927_100000688953 [0,1,1,0,0,0|1,0,0]=3 2392 B14R1.121 C#CCCN[C@H](CO)c1ccncc1 2230a_100138412524_100000688953 [0,1,1,0,0,0|2,0,0]=4 2393 B14R1.121 C#CCCOC(CBr)c1ccccc1 7a_100000185958_100000688953 [0,1,1,0,0,0|2,0,0]=4 2394 B14R1.121 C#CCCOC(CC)c1ccccc1 34a_100000698172_100000688953 [0,1,1,0,0,0|1,0,0]=3 2395 B14R1.121 C#CCCOC(CC)c1ccccc1 7a_100000698172_100000688953 [0,1,1,0,0,0|1,0,0]=3 2396 B14R1.121 C#CCCOC(CN)c1ccccc1 34a_100000210709_100000688953 [0,1,1,0,0,0|2,0,0]=4 2397 B14R1.121 C#CCCO[C@H](CCl)c1ccccc1 34a_100011933945_100000688953 [0,1,1,0,0,0|2,0,0]=4 2398 B14R1.121 C#CCCO[C@H](CCl)c1ccccc1 7a_100011933945_100000688953 [0,1,1,0,0,0|2,0,0]=4 2399 B14R1.121 C#CCOCC(CC)c1ccccc1 34a_100000752371_100000184674 [0,1,1,0,0,0|1,0,0]=3 2400 B14R1.121 C#CCOCC(CC)c1ccccc1 7a_100000752371_100000038162 [0,1,1,0,0,0|1,0,0]=3 2401 B14R1.121 C#CCOCC(OC)c1ccccc1 34a_100011215540_100000184674 [0,1,1,0,0,0|2,0,0]=4 2402 B14R1.121 C#CCOCC(OC)c1ccccc1 7a_100011215540_100000038162 [0,1,1,0,0,0|2,0,0]=4 2403 B14R1.121 C=CC(NCC#CC)c1ccccc1 2230a_100000685387_200000085779 [0,1,1,0,0,0|0,0,2]=4 2404 B14R1.121 C=CCCNC(CC)c1ccccc1 2230a_100000737752_100000754431 [0,1,1,0,0,0|0,0,2]=4 2405 B14R1.121 C=CCCNC(CC)c1ccccc1 269862a_100015191253_100000210124 [0,1,1,0,0,0|0,0,2]=4 2406 B14R1.121 C=CCNCC(CC)c1ccccc1 270004a_100020586998_100000753018 [0,1,1,0,0,0|0,0,2]=4 2407 B14R1.121 CC#CCNC(CC)c1ccccc1 2230a_100000737752_100000748600 [0,1,1,0,0,0|0,0,0]=2 2408 B14R1.121 CC#CCNC(CC)c1ccccn1 2230a_100015186561_100000748600 [0,1,1,0,0,0|1,0,0]=3 2409 B14R1.121 CC#CCNC(CC)c1cccnc1 2230a_100000246009_100000748600 [0,1,1,0,0,0|1,0,0]=3 2410 B14R1.121 CC#CCNC(CC)c1cnccn1 2230a_200016994365_100000748600 [0,1,1,0,0,0|2,0,0]=4 2411 B14R1.121 CC#CCNC(CO)c1ccccn1 2230a_100015196888_100000748600 [0,1,1,0,0,0|2,0,0]=4 2412 B14R1.121 CC#CCN[C@H](CO)c1ccccc1 2230a_100000751927_100000748600 [0,1,1,0,0,0|1,0,0]=3 2413 B14R1.121 CC#CCN[C@H](CO)c1ccccc1 34a_100000751927_100000748600 [0,1,1,0,0,0|1,0,0]=3 2414 B14R1.121 CC#CCN[C@H](CO)c1ccncc1 2230a_100138412524_100000748600 [0,1,1,0,0,0|2,0,0]=4 2415 B14R1.121 CC#CCOC(CBr)c1ccccc1 7a_100000185958_100000748600 [0,1,1,0,0,0|2,0,0]=4 2416 B14R1.121 CC#CCOC(CC)c1ccccc1 34a_100000698172_100000748600 [0,1,1,0,0,0|1,0,0]=3 2417 B14R1.121 CC#CCOC(CC)c1ccccc1 7a_100000698172_100000748600 [0,1,1,0,0,0|1,0,0]=3 2418 B14R1.121 CC#CCOC(CN)c1ccccc1 34a_100000210709_100000748600 [0,1,1,0,0,0|2,0,0]=4 2419 B14R1.121 CC#CCO[C@H](CCl)c1ccccc1 34a_100011933945_100000748600 [0,1,1,0,0,0|2,0,0]=4 2420 B14R1.121 CC#CCO[C@H](CCl)c1ccccc1 7a_100011933945_100000748600 [0,1,1,0,0,0|2,0,0]=4 2421 B14R1.121 CC=CCNC(CC)c1ccccc1 2230a_100000737752_100000070051 [0,1,1,0,0,0|0,0,2]=4 2422 B14R1.121 CCC(CNCCO)c1ccccc1 270004a_100000210304_100000753018 [0,1,1,0,0,0|1,0,1]=4 2423 B14R1.121 CCC(COCC#N)c1ccccc1 7a_100000752371_100011215382 [0,1,1,0,0,0|2,0,0]=4 2424 B14R1.121 CCC(NCCC#N)c1ccccc1 2230a_100000737752_100011215226 [0,1,1,0,0,0|0,0,1]=3 2425 B14R1.121 CCC(NCCC#N)c1ccccn1 2230a_100015186561_100011215226 [0,1,1,0,0,0|1,0,1]=4 2426 B14R1.121 CCC(NCCC#N)c1cccnc1 2230a_100000246009_100011215226 [0,1,1,0,0,0|1,0,1]=4 2427 B14R1.121 CCC(NCCCF)c1ccccc1 2230a_100000737752_100011934791 [0,1,1,0,0,0|0,0,2]=4 2428 B14R1.121 CCC(NCCCF)c1ccccc1 269862a_100015189416_100000210124 [0,1,1,0,0,0|0,0,2]=4 2429 B14R1.121 CCC(NCCCO)c1ccccc1 2230a_100000737752_100000230001 [0,1,1,0,0,0|0,0,2]=4 2430 B14R1.121 CCC(NCCCO)c1ccccc1 269862a_100000182051_100000210124 [0,1,1,0,0,0|0,0,2]=4 2431 B14R1.121 CCC(NCCOC)c1ccccc1 2230a_100000737752_100011201679 [0,1,1,0,0,0|0,0,2]=4 2432 B14R1.121 CCC(NCCOC)c1ccccc1 269862a_100000209980_100000210124 [0,1,1,0,0,0|0,0,2]=4 2433 B14R1.121 CCC(NCCSC)c1ccccc1 2230a_100000737752_100000751147 [0,1,1,0,0,0|0,0,2]=4 2434 B14R1.121 CCC(NCCSC)c1ccccc1 269862a_100020590264_100000210124 [0,1,1,0,0,0|0,0,2]=4 2435 B14R1.121 CCC(OCCC#N)c1ccccc1 7a_100000698172_100000184422 [0,1,1,0,0,0|1,0,1]=4 2436 B14R1.121 CCCCNC(CC)c1ccccc1 2230a_100000737752_100000210211 [0,1,1,0,0,0|0,0,2]=4 2437 B14R1.121 CCCCNC(CC)c1ccccc1 269862a_100000102301_100000210124 [0,1,1,0,0,0|0,0,2]=4 2438 B14R1.121 CCCNCC(CC)c1ccccc1 270004a_100020643023_100000753018 [0,1,1,0,0,0|0,0,2]=4 2439 B14R1.121 N#CCCN[C@H](CO)c1ccccc1 2230a_100000751927_100011215226 [0,1,1,0,0,0|1,0,1]=4 2440 B14R1.171 C#CCCN(CCC)c1ccccc1 2230a_200011218496_100000688953 [0,1,1,0,0,0|2,0,0]=4 2441 B14R1.171 C#CCCN(CCC)c1ccccc1 269982a_200011218496_100000730999 [0,1,1,0,0,0|2,0,0]=4 2442 B14R1.171 C#CCCN(CCC)c1ccccc1 34a_200011218496_100000688953 [0,1,1,0,0,0|2,0,0]=4 2443 B14R1.171 C#CCCN(CCO)c1ccccc1 2230a_100000211345_100000688953 [0,1,1,0,0,0|2,0,0]=4 2444 B14R1.171 C#CCCN(CCO)c1ccccc1 269982a_100000211345_100000730999 [0,1,1,0,0,0|2,0,0]=4 2445 B14R1.171 C#CCCN(CCO)c1ccccc1 34a_100000211345_100000688953 [0,1,1,0,0,0|2,0,0]=4 2446 B14R1.171 C#CCNC(CCC)c1ccccc1 2230a_100000189686_100000038162 [0,1,1,0,0,0|0,0,0]=2 2447 B14R1.171 C#CCNC(CCC)c1ccccc1 34a_100000189686_100000184674 [0,1,1,0,0,0|0,0,0]=2 2448 B14R1.171 C#CCNC(CCC)c1cccnc1 2230a_100011351308_100000038162 [0,1,1,0,0,0|1,0,0]=3 2449 B14R1.171 C#CCN[C@@H](CCO)c1ccccc1 2230a_100025705951_100000038162 [0,1,1,0,0,0|0,0,0]=2 2450 B14R1.171 C#CCN[C@H](COC)c1ccccc1 2230a_103619048568_100000038162 [0,1,1,0,0,0|0,0,0]=2 2451 B14R1.171 C#CCN[C@H](COC)c1ccccc1 34a_103619048568_100000184674 [0,1,1,0,0,0|0,0,0]=2 2452 B14R1.171 C#CCOC(CC=C)c1ccccc1 34a_100000687291_100000184674 [0,1,1,0,0,0|1,0,1]=4 2453 B14R1.171 C#CCOC(CC=C)c1ccccc1 7a_100000687291_100000038162 [0,1,1,0,0,0|1,0,1]=4 2454 B14R1.171 C#CCOC(CCC)c1ccccc1 34a_100000747916_100000184674 [0,1,1,0,0,0|1,0,0]=3 2455 B14R1.171 C#CCOC(CCC)c1ccccc1 7a_100000747916_100000038162 [0,1,1,0,0,0|1,0,0]=3 2456 B14R1.171 C#CCOC(CCN)c1ccccc1 34a_100000763605_100000184674 [0,1,1,0,0,0|1,0,0]=3 2457 B14R1.171 C#CCO[C@H](CC#N)c1ccccc1 7a_100009817555_100000038162 [0,1,1,0,0,0|1,0,1]=4 2458 B14R1.171 C#CCO[C@H](CCCl)c1ccccc1 34a_100000729684_100000184674 [0,1,1,0,0,0|1,0,0]=3 2459 B14R1.171 C#CCO[C@H](CCCl)c1ccccc1 7a_100000729684_100000038162 [0,1,1,0,0,0|1,0,0]=3 2460 B14R1.171 C#CCSC(CCCl)c1ccccc1 62a_100000038162_200010132975 [0,1,1,0,0,0|1,0,0]=3 2461 B14R1.171 C=CCNC(CCC)c1ccccc1 2230a_100000189686_100000210623 [0,1,1,0,0,0|0,0,2]=4 2462 B14R1.171 C=CCNC(CCC)c1ccccc1 34a_100000189686_100015514636 [0,1,1,0,0,0|0,0,2]=4 2463 B14R1.171 C=CCNC(CCCl)c1ccccc1 2230a_100020586998_200010132975 [0,1,1,0,0,0|0,0,2]=4 2464 B14R1.171 C=CCN[C@@H](CCO)c1ccccc1 2230a_100025705951_100000210623 [0,1,1,0,0,0|0,0,2]=4 2465 B14R1.171 C=CCN[C@H](COC)c1ccccc1 2230a_103619048568_100000210623 [0,1,1,0,0,0|0,0,2]=4 2466 B14R1.171 C=CCN[C@H](COC)c1ccccc1 34a_103619048568_100015514636 [0,1,1,0,0,0|0,0,2]=4 2467 B14R1.171 CCCC(NCC#N)c1ccccc1 2230a_100000189686_100011215382 [0,1,1,0,0,0|1,0,0]=3 2468 B14R1.171 CCCC(NCC#N)c1cccnc1 2230a_100011351308_100011215382 [0,1,1,0,0,0|2,0,0]=4 2469 B14R1.171 CCCC(NCC=O)c1ccccc1 2230a_100000189686_200015260668 [0,1,1,0,0,0|1,0,1]=4 2470 B14R1.171 CCCC(NCC=O)c1ccccc1 34a_100000189686_200009817547 [0,1,1,0,0,0|1,0,1]=4 2471 B14R1.171 CCCC(NCCF)c1ccccc1 2230a_100000189686_100011217306 [0,1,1,0,0,0|1,0,1]=4 2472 B14R1.171 CCCC(NCCF)c1ccccc1 269862a_100000724931_100000211045 [0,1,1,0,0,0|1,0,1]=4 2473 B14R1.171 CCCC(NCCF)c1ccccc1 34a_100000189686_100011217306 [0,1,1,0,0,0|1,0,1]=4 2474 B14R1.171 CCCC(NCCO)c1ccccc1 2230a_100000189686_100000211926 [0,1,1,0,0,0|1,0,1]=4 2475 B14R1.171 CCCC(NCCO)c1ccccc1 269862a_100000210304_100000211045 [0,1,1,0,0,0|1,0,1]=4 2476 B14R1.171 CCCC(NCCO)c1ccccc1 34a_100000189686_100000211926 [0,1,1,0,0,0|1,0,1]=4 2477 B14R1.171 CCCC(NCOC)c1ccccc1 2230a_100000189686_100000766300 [0,1,1,0,0,0|1,0,1]=4 2478 B14R1.171 CCCC(NCSC)c1ccccc1 2230a_100000189686_100011218213 [0,1,1,0,0,0|1,0,1]=4 2479 B14R1.171 CCCC(NCSC)c1ccccc1 34a_100000189686_100011218213 [0,1,1,0,0,0|1,0,1]=4 2480 B14R1.171 CCCC(OCC#N)c1ccccc1 7a_100000747916_100011215382 [0,1,1,0,0,0|2,0,0]=4 2481 B14R1.171 CCCNC(CCC)c1ccccc1 2230a_100000189686_100000210303 [0,1,1,0,0,0|0,0,2]=4 2482 B14R1.171 CCCNC(CCC)c1ccccc1 269862a_100020643023_100000211045 [0,1,1,0,0,0|0,0,2]=4 2483 B14R1.171 CCCNC(CCC)c1ccccc1 34a_100000189686_100000210303 [0,1,1,0,0,0|0,0,2]=4 2484 B14R1.171 CCCNC(COC)c1ccccc1 269862a_100020643023_100000765260 [0,1,1,0,0,0|0,0,2]=4 2485 B14R1.171 CCCN[C@@H](CCO)c1ccccc1 2230a_100025705951_100000210303 [0,1,1,0,0,0|0,0,2]=4 2486 B14R1.171 CCCN[C@H](COC)c1ccccc1 2230a_103619048568_100000210303 [0,1,1,0,0,0|0,0,2]=4 2487 B14R1.171 CCCN[C@H](COC)c1ccccc1 34a_103619048568_100000210303 [0,1,1,0,0,0|0,0,2]=4 2488 B14R1.171 COCC(NCCF)c1ccccc1 269862a_100000724931_100000765260 [0,1,1,0,0,0|1,0,1]=4 2489 B14R1.171 COCC(NCCO)c1ccccc1 269862a_100000210304_100000765260 [0,1,1,0,0,0|1,0,1]=4 2490 B14R1.171 COCN[C@@H](CCO)c1ccccc1 2230a_100025705951_100000766300 [0,1,1,0,0,0|1,0,1]=4 2491 B14R1.171 COCN[C@H](COC)c1ccccc1 2230a_103619048568_100000766300 [0,1,1,0,0,0|1,0,1]=4 2492 B14R1.171 COC[C@@H](NCC#N)c1ccccc1 2230a_103619048568_100011215382 [0,1,1,0,0,0|1,0,0]=3 2493 B14R1.171 COC[C@@H](NCC=O)c1ccccc1 2230a_103619048568_200015260668 [0,1,1,0,0,0|1,0,1]=4 2494 B14R1.171 COC[C@@H](NCC=O)c1ccccc1 34a_103619048568_200009817547 [0,1,1,0,0,0|1,0,1]=4 2495 B14R1.171 COC[C@@H](NCCF)c1ccccc1 2230a_103619048568_100011217306 [0,1,1,0,0,0|1,0,1]=4 2496 B14R1.171 COC[C@@H](NCCF)c1ccccc1 34a_103619048568_100011217306 [0,1,1,0,0,0|1,0,1]=4 2497 B14R1.171 COC[C@@H](NCCO)c1ccccc1 2230a_103619048568_100000211926 [0,1,1,0,0,0|1,0,1]=4 2498 B14R1.171 COC[C@@H](NCCO)c1ccccc1 34a_103619048568_100000211926 [0,1,1,0,0,0|1,0,1]=4 2499 B14R1.171 COC[C@@H](NCSC)c1ccccc1 2230a_103619048568_100011218213 [0,1,1,0,0,0|1,0,1]=4 2500 B14R1.171 COC[C@@H](NCSC)c1ccccc1 34a_103619048568_100011218213 [0,1,1,0,0,0|1,0,1]=4 2501 B14R1.171 CSCN[C@@H](CCO)c1ccccc1 2230a_100025705951_100011218213 [0,1,1,0,0,0|1,0,1]=4 2502 B14R1.171 N#CCN[C@@H](CCO)c1ccccc1 2230a_100025705951_100011215382 [0,1,1,0,0,0|1,0,0]=3 2503 B14R1.171 N#CCO[C@H](CCCl)c1ccccc1 7a_100000729684_100011215382 [0,1,1,0,0,0|2,0,0]=4 2504 B14R1.171 N#CCSC(CCCl)c1ccccc1 62a_100011215382_200010132975 [0,1,1,0,0,0|2,0,0]=4 2505 B14R1.171 N#CCSC(CCCl)c1ccccc1 62a_200010132975_100011215382 [0,1,1,0,0,0|2,0,0]=4 2506 B14R1.171 O=CCN[C@@H](CCO)c1ccccc1 2230a_100025705951_200015260668 [0,1,1,0,0,0|1,0,1]=4 2507 B14R1.171 OCCNC(CCCl)c1ccccc1 2230a_100016997473_200010132975 [0,1,1,0,0,0|1,0,1]=4 2508 B14R1.171 OCCN[C@@H](CCO)c1ccccc1 2230a_100025705951_100000211926 [0,1,1,0,0,0|1,0,1]=4 2509 B14R1.171 OCC[C@H](NCCF)c1ccccc1 2230a_100025705951_100011217306 [0,1,1,0,0,0|1,0,1]=4 2510 B14R1.175 C#CCOC(C)(CC)c1ccccc1 7a_100000748282_100000038162 [0,1,1,0,0,0|1,0,0]=3 2511 B14R1.175 CCC(C)(OCC#N)c1ccccc1 7a_100000748282_100011215382 [0,1,1,0,0,0|2,0,0]=4 2512 B14R1.178 C#CCCN(c1ccccc1)C(C)C 2230a_100000210572_100000688953 [0,1,1,0,0,0|2,0,0]=4 2513 B14R1.178 C#CCCN(c1ccccc1)C(C)C 269982a_100000210572_100000730999 [0,1,1,0,0,0|2,0,0]=4 2514 B14R1.178 C#CCCN(c1ccccc1)C(C)C 34a_100000210572_100000688953 [0,1,1,0,0,0|2,0,0]=4 2515 B14R1.178 C#CCCN(c1ccccc1)C(C)C 7a_100000210572_100000688953 [0,1,1,0,0,0|2,0,0]=4 2516 B14R1.178 C#CCNC(C(=O)O)c1ccccc1 269956a_100000230147_100000184674 [0,1,1,0,0,0|1,0,1]=4 2517 B14R1.178 C#CCNC(c1ccccn1)C(C)C 2230a_100015183375_100000038162 [0,1,1,0,0,0|1,0,0]=3 2518 B14R1.178 C#CCNC(c1cccnc1)C(C)C 2230a_100015185317_100000038162 [0,1,1,0,0,0|1,0,0]=3 2519 B14R1.178 C#CCNC(c1ccncc1)C(C)C 2230a_100000755331_100000038162 [0,1,1,0,0,0|1,0,0]=3 2520 B14R1.178 C#CCN[C@@H](C(=O)N)c1ccccc1 2230a_100011423151_100000038162 [0,1,1,0,0,0|1,0,1]=4 2521 B14R1.178 C#CCN[C@@H](c1ccccc1)[C@H](C)O 2230a_100134616770_100000038162 [0,1,1,0,0,0|0,0,0]=2 2522 B14R1.178 C#CCN[C@H](c1ccccc1)C(C)C 2230a_100015186014_100000038162 [0,1,1,0,0,0|0,0,0]=2 2523 B14R1.178 C#CCN[C@H](c1ccccc1)C(C)C 34a_100015186014_100000184674 [0,1,1,0,0,0|0,0,0]=2 2524 B14R1.178 C#CCOC(C(=C)C)c1ccccc1 34a_200011216824_100000184674 [0,1,1,0,0,0|1,0,1]=4 2525 B14R1.178 C#CCOC(C(=C)C)c1ccccc1 7a_200011216824_100000038162 [0,1,1,0,0,0|1,0,1]=4 2526 B14R1.178 C#CCOC(c1ccccc1)C(C)C 34a_200011217822_100000184674 [0,1,1,0,0,0|1,0,0]=3 2527 B14R1.178 C#CCOC(c1ccccc1)C(C)C 7a_200011217822_100000038162 [0,1,1,0,0,0|1,0,0]=3 2528 B14R1.178 C#CCSC(C(=O)C)c1ccccc1 62a_100000038162_100009888967 [0,1,1,0,0,0|1,0,1]=4 2529 B14R1.178 C=CCN[C@@H](c1ccccc1)[C@H](C)O 2230a_100134616770_100000210623 [0,1,1,0,0,0|0,0,2]=4 2530 B14R1.178 C=CCN[C@H](c1ccccc1)C(C)C 2230a_100015186014_100000210623 [0,1,1,0,0,0|0,0,2]=4 2531 B14R1.178 C=CCN[C@H](c1ccccc1)C(C)C 34a_100015186014_100015514636 [0,1,1,0,0,0|0,0,2]=4 2532 B14R1.178 CC(C)C(NCC#N)c1ccccn1 2230a_100015183375_100011215382 [0,1,1,0,0,0|2,0,0]=4 2533 B14R1.178 CC(C)C(NCC#N)c1cccnc1 2230a_100015185317_100011215382 [0,1,1,0,0,0|2,0,0]=4 2534 B14R1.178 CC(C)C(NCC#N)c1ccncc1 2230a_100000755331_100011215382 [0,1,1,0,0,0|2,0,0]=4 2535 B14R1.178 CC(C)C(OCC#N)c1ccccc1 7a_200011217822_100011215382 [0,1,1,0,0,0|2,0,0]=4 2536 B14R1.178 CC(C)[C@H](NCC#N)c1ccccc1 2230a_100015186014_100011215382 [0,1,1,0,0,0|1,0,0]=3 2537 B14R1.178 CC(C)[C@H](NCC=O)c1ccccc1 2230a_100015186014_200015260668 [0,1,1,0,0,0|1,0,1]=4 2538 B14R1.178 CC(C)[C@H](NCC=O)c1ccccc1 34a_100015186014_200009817547 [0,1,1,0,0,0|1,0,1]=4 2539 B14R1.178 CC(C)[C@H](NCCF)c1ccccc1 2230a_100015186014_100011217306 [0,1,1,0,0,0|1,0,1]=4 2540 B14R1.178 CC(C)[C@H](NCCF)c1ccccc1 34a_100015186014_100011217306 [0,1,1,0,0,0|1,0,1]=4 2541 B14R1.178 CC(C)[C@H](NCCO)c1ccccc1 2230a_100015186014_100000211926 [0,1,1,0,0,0|1,0,1]=4 2542 B14R1.178 CC(C)[C@H](NCCO)c1ccccc1 34a_100015186014_100000211926 [0,1,1,0,0,0|1,0,1]=4 2543 B14R1.178 CCCN[C@@H](c1ccccc1)[C@H](C)O 2230a_100134616770_100000210303 [0,1,1,0,0,0|0,0,2]=4 2544 B14R1.178 CCCN[C@H](c1ccccc1)C(C)C 2230a_100015186014_100000210303 [0,1,1,0,0,0|0,0,2]=4 2545 B14R1.178 CCCN[C@H](c1ccccc1)C(C)C 34a_100015186014_100000210303 [0,1,1,0,0,0|0,0,2]=4 2546 B14R1.178 COCN[C@@H](c1ccccc1)[C@H](C)O 2230a_100134616770_100000766300 [0,1,1,0,0,0|1,0,1]=4 2547 B14R1.178 COCN[C@H](c1ccccc1)C(C)C 2230a_100015186014_100000766300 [0,1,1,0,0,0|1,0,1]=4 2548 B14R1.178 CSCN[C@@H](c1ccccc1)[C@H](C)O 2230a_100134616770_100011218213 [0,1,1,0,0,0|1,0,1]=4 2549 B14R1.178 CSCN[C@H](c1ccccc1)C(C)C 2230a_100015186014_100011218213 [0,1,1,0,0,0|1,0,1]=4 2550 B14R1.178 CSCN[C@H](c1ccccc1)C(C)C 34a_100015186014_100011218213 [0,1,1,0,0,0|1,0,1]=4 2551 B14R1.178 C[C@H](O)[C@@H](NCC#N)c1ccccc1 2230a_100134616770_100011215382 [0,1,1,0,0,0|1,0,0]=3 2552 B14R1.178 C[C@H](O)[C@@H](NCC=O)c1ccccc1 2230a_100134616770_200015260668 [0,1,1,0,0,0|1,0,1]=4 2553 B14R1.178 C[C@H](O)[C@@H](NCCF)c1ccccc1 2230a_100134616770_100011217306 [0,1,1,0,0,0|1,0,1]=4 2554 B14R1.178 C[C@H](O)[C@@H](NCCO)c1ccccc1 2230a_100134616770_100000211926 [0,1,1,0,0,0|1,0,1]=4 2555 B14R1.540 C=C(C)CNC(CC)c1ccccc1 2230a_100000737752_100000748629 [0,1,1,0,0,0|0,0,2]=4 2556 B14R1.540 C=C(F)CNC(CC)c1ccccc1 2230a_100000737752_100009893438 [0,1,1,0,0,0|0,0,2]=4 2557 B14R1.540 CCC(NCC(=O)N)c1ccccc1 2230a_100000737752_100000747473 [0,1,1,0,0,0|1,0,1]=4 2558 B14R1.540 CCC(NCC(C)C)c1ccccc1 2230a_100000737752_100000210760 [0,1,1,0,0,0|0,0,2]=4 2559 B14R1.540 CCC(NCC(C)C)c1ccccc1 269862a_100000210953_100000210124 [0,1,1,0,0,0|0,0,2]=4 2560 B14R1.540 CCC(NCC(C)C)c1ccccc1 270004a_100000737752_100000210432 [0,1,1,0,0,0|0,0,2]=4 2561 B14R1.540 CCC(NCC(C)O)c1ccccc1 2230a_100000737752_100011218427 [0,1,1,0,0,0|0,0,2]=4 2562 B14R1.540 CCC(NCC(C)O)c1ccccc1 269862a_100000210904_100000210124 [0,1,1,0,0,0|0,0,2]=4 2563 B14R1.540 CCC(NCC(F)F)c1ccccc1 2230a_100000737752_100011934356 [0,1,1,0,0,0|1,0,1]=4 2564 B14R1.540 CCC(NC[C@@H](C)O)c1ccccc1 2230a_100000737752_100009817552 [0,1,1,0,0,0|0,0,2]=4 2565 B14R1.604 C#CCC(=O)C(CC)c1ccccc1 1458a_100000211302_100000184674 [0,1,1,0,0,0|1,0,0]=3 2566 B14R1.604 C#CCC(=O)C(CO)c1ccccc1 1458a_100011218805_100000184674 [0,1,1,0,0,0|2,0,0]=4 2567 B14R1.604 C#CCC(=O)N(CC)c1ccccc1 1626a_100000210013_100011220946 [0,1,1,0,0,0|2,0,0]=4 2568 B14R1.604 C#CCC(=O)[C@H](OC)c1ccccc1 1458a_100000698336_100000184674 [0,1,1,0,0,0|2,0,0]=4 2569 B14R1.604 C#CCN(C)C(C=C)c1ccccc1 2230a_100000225692_200000085779 [0,1,1,0,0,0|0,0,2]=4 2570 B14R1.604 C#CCN(C)C(CC)c1ccccc1 2230a_100000737544_100000038162 [0,1,1,0,0,0|0,0,0]=2 2571 B14R1.604 C#CCN(C)C(CC)c1ccccn1 2230a_100011351527_100000038162 [0,1,1,0,0,0|1,0,0]=3 2572 B14R1.604 C#CCN(C)C(CC)c1cccnc1 2230a_200011351541_100000038162 [0,1,1,0,0,0|1,0,0]=3 2573 B14R1.604 C#CCN(C)C(CC)c1ncccn1 270004a_100000225692_200011350823 [0,1,1,0,0,0|2,0,0]=4 2574 B14R1.604 C=CCN(C)C(CC)c1ccccc1 2230a_100000737544_100000210623 [0,1,1,0,0,0|0,0,2]=4 2575 B14R1.604 C=CCN(C)C(CC)c1ccccc1 269982a_100000737544_100000210623 [0,1,1,0,0,0|0,0,2]=4 2576 B14R1.604 CCC(C(=O)CC#N)c1ccccc1 1458a_100000211302_100011214920 [0,1,1,0,0,0|2,0,0]=4 2577 B14R1.604 CCC(c1ccccc1)N(C)CC#N 2230a_100000737544_100011215382 [0,1,1,0,0,0|1,0,0]=3 2578 B14R1.604 CCC(c1ccccc1)N(C)CC#N 269982a_100000737544_100011214920 [0,1,1,0,0,0|1,0,0]=3 2579 B14R1.604 CCC(c1ccccc1)N(C)CC=O 2230a_100000737544_200015260668 [0,1,1,0,0,0|1,0,1]=4 2580 B14R1.604 CCC(c1ccccc1)N(C)CC=O 269982a_100000737544_200015260668 [0,1,1,0,0,0|1,0,1]=4 2581 B14R1.604 CCC(c1ccccc1)N(C)CCF 2230a_100000737544_100011217306 [0,1,1,0,0,0|1,0,1]=4 2582 B14R1.604 CCC(c1ccccc1)N(C)CCF 269982a_100000737544_100011217306 [0,1,1,0,0,0|1,0,1]=4 2583 B14R1.604 CCC(c1ccccc1)N(C)CCO 2230a_100000737544_100000211926 [0,1,1,0,0,0|1,0,1]=4 2584 B14R1.604 CCC(c1ccccc1)N(C)CCO 269982a_100000737544_100000211926 [0,1,1,0,0,0|1,0,1]=4 2585 B14R1.604 CCC(c1ccccc1)N(C)COC 2230a_100000737544_100000766300 [0,1,1,0,0,0|1,0,1]=4 2586 B14R1.604 CCC(c1ccccc1)N(C)COC 269982a_100000737544_100000766300 [0,1,1,0,0,0|1,0,1]=4 2587 B14R1.604 CCC(c1ccccc1)N(C)CSC 2230a_100000737544_100011218213 [0,1,1,0,0,0|1,0,1]=4 2588 B14R1.604 CCC(c1ccccc1)N(C)CSC 269982a_100000737544_100011218213 [0,1,1,0,0,0|1,0,1]=4 2589 B14R1.604 CCC(c1ccccn1)N(C)CC#N 2230a_100011351527_100011215382 [0,1,1,0,0,0|2,0,0]=4 2590 B14R1.604 CCC(c1ccccn1)N(C)CC#N 269982a_100011351527_100011214920 [0,1,1,0,0,0|2,0,0]=4 2591 B14R1.604 CCC(c1cccnc1)N(C)CC#N 2230a_200011351541_100011215382 [0,1,1,0,0,0|2,0,0]=4 2592 B14R1.604 CCC(c1cccnc1)N(C)CC#N 269982a_200011351541_100011214920 [0,1,1,0,0,0|2,0,0]=4 2593 B14R1.604 CCCN(C)C(CC)c1ccccc1 2230a_100000737431_200000210301 [0,1,1,0,0,0|0,0,2]=4 2594 B14R1.604 CCCN(C)C(CC)c1ccccc1 2230a_100000737544_100000210303 [0,1,1,0,0,0|0,0,2]=4 2595 B14R1.604 CCCN(C)C(CC)c1ccccc1 269982a_100000737431_200000210301 [0,1,1,0,0,0|0,0,2]=4 2596 B14R1.604 CCCN(C)C(CC)c1ccccc1 269982a_100000737544_100000210303 [0,1,1,0,0,0|0,0,2]=4 2597 B14R1.604 CCCN([13CH3])C(CC)c1ccccc1 2230a_100000737431_200025704644 [0,1,1,0,0,0|0,0,2]=4 2598 B14R1.604 CCCN([13CH3])C(CC)c1ccccc1 269982a_100000737431_200025704644 [0,1,1,0,0,0|0,0,2]=4 2599 B14R1.3111 C#CCCN(CC)c1ccccc1Br 2230a_114873767003_100000688953 [0,1,1,0,0,0|2,0,0]=4 2600 B14R1.3111 C#CCCN(CC)c1ccccc1Br 269982a_114873767003_100000730999 [0,1,1,0,0,0|2,0,0]=4 2601 B14R1.3111 C#CCCN(CC)c1ccccc1Br 34a_114873767003_100000688953 [0,1,1,0,0,0|2,0,0]=4 2602 B14R1.3111 C#CCCN(CC)c1ccccc1C 2230a_100000211084_100000688953 [0,1,1,0,0,0|2,0,0]=4 2603 B14R1.3111 C#CCCN(CC)c1ccccc1C 269982a_100000211084_100000730999 [0,1,1,0,0,0|2,0,0]=4 2604 B14R1.3111 C#CCCN(CC)c1ccccc1C 34a_100000211084_100000688953 [0,1,1,0,0,0|2,0,0]=4 2605 B14R1.3111 C#CCCN(CC)c1ccccc1F 2230a_100000220365_100000688953 [0,1,1,0,0,0|2,0,0]=4 2606 B14R1.3111 C#CCCN(CC)c1ccccc1F 269982a_100000220365_100000730999 [0,1,1,0,0,0|2,0,0]=4 2607 B14R1.3111 C#CCCN(CC)c1ccccc1F 34a_100000220365_100000688953 [0,1,1,0,0,0|2,0,0]=4 2608 B14R1.3111 C#CCCN(CC)c1ccccc1O 269982a_103624766699_100000730999 [0,1,1,0,0,0|2,0,0]=4 2609 B14R1.3111 C#CCNC(C#N)c1ccccc1C 2230a_102495364774_100000038162 [0,1,1,0,0,0|1,0,1]=4 2610 B14R1.3111 C#CCNC(CC)c1ncccc1C 2230a_200011536107_100000038162 [0,1,1,0,0,0|1,0,0]=3 2611 B14R1.3111 C#CCNC(CO)c1ccccc1Cl 2230a_100138412506_100000038162 [0,1,1,0,0,0|1,0,0]=3 2612 B14R1.3111 C#CCNC(CO)c1ccccc1Cl 34a_100138412506_100000184674 [0,1,1,0,0,0|1,0,0]=3 2613 B14R1.3111 C#CCNC(CO)c1ccncc1Cl 2230a_200020642286_100000038162 [0,1,1,0,0,0|2,0,0]=4 2614 B14R1.3111 C#CCN[C@@H](CC)c1ccccc1Cl 2230a_200016987949_100000038162 [0,1,1,0,0,0|0,0,0]=2 2615 B14R1.3111 C#CCN[C@@H](CC)c1ccccc1Cl 34a_200016987949_100000184674 [0,1,1,0,0,0|0,0,0]=2 2616 B14R1.3111 C#CCN[C@@H](CC)c1ccccc1F 2230a_100015190424_100000038162 [0,1,1,0,0,0|0,0,0]=2 2617 B14R1.3111 C#CCN[C@@H](CC)c1ccccc1F 34a_100015190424_100000184674 [0,1,1,0,0,0|0,0,0]=2 2618 B14R1.3111 C#CCN[C@@H](CO)c1ccccc1F 2230a_100009818778_100000038162 [0,1,1,0,0,0|1,0,0]=3 2619 B14R1.3111 C#CCN[C@@H](CO)c1ccccc1F 34a_100009818778_100000184674 [0,1,1,0,0,0|1,0,0]=3 2620 B14R1.3111 C#CCN[C@H](CO)c1ccccc1Br 2230a_100161155918_100000038162 [0,1,1,0,0,0|1,0,0]=3 2621 B14R1.3111 C#CCN[C@H](CO)c1ccccc1Br 34a_100161155918_100000184674 [0,1,1,0,0,0|1,0,0]=3 2622 B14R1.3111 C#CCOC(CC)c1ccccc1F 34a_200011689290_100000184674 [0,1,1,0,0,0|1,0,0]=3 2623 B14R1.3111 C#CCOC(CC)c1ccccc1F 7a_200011689290_100000038162 [0,1,1,0,0,0|1,0,0]=3 2624 B14R1.3111 C#CCOC(CN)c1ccccc1Br 34a_100011236429_100000184674 [0,1,1,0,0,0|2,0,0]=4 2625 B14R1.3111 C#CCOC(CN)c1ccccc1Cl 34a_200000759403_100000184674 [0,1,1,0,0,0|2,0,0]=4 2626 B14R1.3111 C=CCN[C@@H](CC)c1ccccc1Cl 2230a_200016987949_100000210623 [0,1,1,0,0,0|0,0,2]=4 2627 B14R1.3111 C=CCN[C@@H](CC)c1ccccc1Cl 34a_200016987949_100015514636 [0,1,1,0,0,0|0,0,2]=4 2628 B14R1.3111 C=CCN[C@@H](CC)c1ccccc1F 2230a_100015190424_100000210623 [0,1,1,0,0,0|0,0,2]=4 2629 B14R1.3111 C=CCN[C@@H](CC)c1ccccc1F 34a_100015190424_100015514636 [0,1,1,0,0,0|0,0,2]=4 2630 B14R1.3111 CCC(NCC#N)c1ncccc1C 2230a_200011536107_100011215382 [0,1,1,0,0,0|2,0,0]=4 2631 B14R1.3111 CCC(NCCF)c1ccccc1C 269862a_100000724931_100011350723 [0,1,1,0,0,0|1,0,1]=4 2632 B14R1.3111 CCC(NCCF)c1ccccc1Cl 269862a_100000724931_100011400563 [0,1,1,0,0,0|1,0,1]=4 2633 B14R1.3111 CCC(NCCF)c1ccccc1F 269862a_100000724931_100000686739 [0,1,1,0,0,0|1,0,1]=4 2634 B14R1.3111 CCC(NCCO)c1ccccc1C 269862a_100000210304_100011350723 [0,1,1,0,0,0|1,0,1]=4 2635 B14R1.3111 CCC(NCCO)c1ccccc1Cl 269862a_100000210304_100011400563 [0,1,1,0,0,0|1,0,1]=4 2636 B14R1.3111 CCC(NCCO)c1ccccc1F 269862a_100000210304_100000686739 [0,1,1,0,0,0|1,0,1]=4 2637 B14R1.3111 CCC(OCC#N)c1ccccc1F 7a_200011689290_100011215382 [0,1,1,0,0,0|2,0,0]=4 2638 B14R1.3111 CCCNC(CC)c1ccccc1C 269862a_100020643023_100011350723 [0,1,1,0,0,0|0,0,2]=4 2639 B14R1.3111 CCCNC(CC)c1ccccc1Cl 269862a_100020643023_100011400563 [0,1,1,0,0,0|0,0,2]=4 2640 B14R1.3111 CCCNC(CC)c1ccccc1F 269862a_100020643023_100000686739 [0,1,1,0,0,0|0,0,2]=4 2641 B14R1.3111 CCCN[C@@H](CC)c1ccccc1Cl 2230a_200016987949_100000210303 [0,1,1,0,0,0|0,0,2]=4 2642 B14R1.3111 CCCN[C@@H](CC)c1ccccc1Cl 34a_200016987949_100000210303 [0,1,1,0,0,0|0,0,2]=4 2643 B14R1.3111 CCCN[C@@H](CC)c1ccccc1F 2230a_100015190424_100000210303 [0,1,1,0,0,0|0,0,2]=4 2644 B14R1.3111 CCCN[C@@H](CC)c1ccccc1F 34a_100015190424_100000210303 [0,1,1,0,0,0|0,0,2]=4 2645 B14R1.3111 CC[C@H](NCC#N)c1ccccc1Cl 2230a_200016987949_100011215382 [0,1,1,0,0,0|1,0,0]=3 2646 B14R1.3111 CC[C@H](NCC#N)c1ccccc1F 2230a_100015190424_100011215382 [0,1,1,0,0,0|1,0,0]=3 2647 B14R1.3111 CC[C@H](NCC=O)c1ccccc1Cl 2230a_200016987949_200015260668 [0,1,1,0,0,0|1,0,1]=4 2648 B14R1.3111 CC[C@H](NCC=O)c1ccccc1Cl 34a_200016987949_200009817547 [0,1,1,0,0,0|1,0,1]=4 2649 B14R1.3111 CC[C@H](NCC=O)c1ccccc1F 2230a_100015190424_200015260668 [0,1,1,0,0,0|1,0,1]=4 2650 B14R1.3111 CC[C@H](NCC=O)c1ccccc1F 34a_100015190424_200009817547 [0,1,1,0,0,0|1,0,1]=4 2651 B14R1.3111 CC[C@H](NCCF)c1ccccc1Cl 2230a_200016987949_100011217306 [0,1,1,0,0,0|1,0,1]=4 2652 B14R1.3111 CC[C@H](NCCF)c1ccccc1Cl 34a_200016987949_100011217306 [0,1,1,0,0,0|1,0,1]=4 2653 B14R1.3111 CC[C@H](NCCF)c1ccccc1F 2230a_100015190424_100011217306 [0,1,1,0,0,0|1,0,1]=4 2654 B14R1.3111 CC[C@H](NCCF)c1ccccc1F 34a_100015190424_100011217306 [0,1,1,0,0,0|1,0,1]=4 2655 B14R1.3111 CC[C@H](NCCO)c1ccccc1Cl 2230a_200016987949_100000211926 [0,1,1,0,0,0|1,0,1]=4 2656 B14R1.3111 CC[C@H](NCCO)c1ccccc1Cl 34a_200016987949_100000211926 [0,1,1,0,0,0|1,0,1]=4 2657 B14R1.3111 CC[C@H](NCCO)c1ccccc1F 2230a_100015190424_100000211926 [0,1,1,0,0,0|1,0,1]=4 2658 B14R1.3111 CC[C@H](NCCO)c1ccccc1F 34a_100015190424_100000211926 [0,1,1,0,0,0|1,0,1]=4 2659 B14R1.3111 CC[C@H](NCOC)c1ccccc1Cl 2230a_200016987949_100000766300 [0,1,1,0,0,0|1,0,1]=4 2660 B14R1.3111 CC[C@H](NCOC)c1ccccc1F 2230a_100015190424_100000766300 [0,1,1,0,0,0|1,0,1]=4 2661 B14R1.3111 CC[C@H](NCSC)c1ccccc1Cl 2230a_200016987949_100011218213 [0,1,1,0,0,0|1,0,1]=4 2662 B14R1.3111 CC[C@H](NCSC)c1ccccc1Cl 34a_200016987949_100011218213 [0,1,1,0,0,0|1,0,1]=4 2663 B14R1.3111 CC[C@H](NCSC)c1ccccc1F 2230a_100015190424_100011218213 [0,1,1,0,0,0|1,0,1]=4 2664 B14R1.3111 CC[C@H](NCSC)c1ccccc1F 34a_100015190424_100011218213 [0,1,1,0,0,0|1,0,1]=4 2665 B14R1.3111 N#CCNC(CO)c1ccccc1Cl 2230a_100138412506_100011215382 [0,1,1,0,0,0|2,0,0]=4 2666 B14R1.3111 N#CCN[C@@H](CO)c1ccccc1F 2230a_100009818778_100011215382 [0,1,1,0,0,0|2,0,0]=4 2667 B14R1.3111 N#CCN[C@H](CO)c1ccccc1Br 2230a_100161155918_100011215382 [0,1,1,0,0,0|2,0,0]=4 2668 B14R1.3297 C#CC(C)NC(C=C)c1ccccc1 2230a_100000707721_200000085779 [0,1,1,0,0,0|0,0,2]=4 2669 B14R1.3297 C#CC(C)NC(CC)c1ncccn1 270004a_100000707721_200011350823 [0,1,1,0,0,0|2,0,0]=4 2670 B14R1.3297 C#CC(C)N[C@H](CO)c1ccccc1 34a_100000751927_200000035995 [0,1,1,0,0,0|1,0,0]=3 2671 B14R1.3297 C#CC(C)OC(CC)c1ccccc1 34a_100000698172_200000035995 [0,1,1,0,0,0|1,0,0]=3 2672 B14R1.3297 C#CC(C)OC(CN)c1ccccc1 34a_100000210709_200000035995 [0,1,1,0,0,0|2,0,0]=4 2673 B14R1.3297 C#CC(C)O[C@H](CCl)c1ccccc1 34a_100011933945_200000035995 [0,1,1,0,0,0|2,0,0]=4 2674 B14R1.3297 CC(C#N)N[C@H](CO)c1ccccc1 2230a_100000751927_100000184139 [0,1,1,0,0,0|2,0,0]=4 2675 B14R1.3297 CCC(C)NC(CC)c1ccccc1 2230a_100000737752_100000758301 [0,1,1,0,0,0|0,0,2]=4 2676 B14R1.3297 CCC(C)NC(CC)c1ccccc1 269862a_100000209981_100000210124 [0,1,1,0,0,0|0,0,2]=4 2677 B14R1.3297 CCC(NC(C)C#N)c1ccccc1 2230a_100000737752_100000184139 [0,1,1,0,0,0|1,0,0]=3 2678 B14R1.3297 CCC(NC(C)C#N)c1ccccn1 2230a_100015186561_100000184139 [0,1,1,0,0,0|2,0,0]=4 2679 B14R1.3297 CCC(NC(C)C#N)c1cccnc1 2230a_100000246009_100000184139 [0,1,1,0,0,0|2,0,0]=4 2680 B14R1.3297 CCC(NC(C)CO)c1ccccc1 2230a_100000737752_100012180447 [0,1,1,0,0,0|1,0,1]=4 2681 B14R1.3297 CCC(N[C@H](C)CF)c1ccccc1 269862a_100102880703_100000210124 [0,1,1,0,0,0|1,0,1]=4 2682 B14R1.3297 CCC(N[C@H](C)CO)c1ccccc1 269862a_100000737577_100000210124 [0,1,1,0,0,0|1,0,1]=4 2683 B14R1.3297 CCC(OC(C)C#N)c1ccccc1 7a_100000698172_100000703298 [0,1,1,0,0,0|2,0,0]=4 2684 B14R1.14 C#CCCCCNc1ccc(cc1)Br 2230a_100000210018_100010269958 [0,1,1,0,0,0|2,0,0]=4 2685 B14R1.14 C#CCCCCNc1ccc(cc1)Br 34a_100000210018_100010269958 [0,1,1,0,0,0|2,0,0]=4 2686 B14R1.14 C#CCCCCNc1ccc(cc1)C 34a_100000124888_100010269958 [0,1,1,0,0,0|2,0,0]=4 2687 B14R1.14 C#CCCCCNc1ccc(cc1)Cl 2230a_100000210052_100010269958 [0,1,1,0,0,0|2,0,0]=4 2688 B14R1.14 C#CCCCCNc1ccc(cc1)Cl 34a_100000210052_100010269958 [0,1,1,0,0,0|2,0,0]=4 2689 B14R1.14 C#CCCCCNc1ccc(cc1)F 34a_100000185862_100010269958 [0,1,1,0,0,0|2,0,0]=4 2690 B14R1.14 C#CCCCCNc1ccc(cc1)I 34a_100000185761_100010269958 [0,1,1,0,0,0|2,0,0]=4 2691 B14R1.14 C#CCCCCNc1ccc(cc1)O 34a_100000185829_100010269958 [0,1,1,0,0,0|2,0,0]=4 2692 B14R1.14 C#CCCCCOc1ccc(cc1)Br 34a_100000185759_100010269958 [0,1,1,0,0,0|2,0,0]=4 2693 B14R1.14 C#CCCCCOc1ccc(cc1)Br 7a_100000185759_100010269958 [0,1,1,0,0,0|2,0,0]=4 2694 B14R1.14 C#CCCCCOc1ccc(cc1)C 34a_100000210336_100010269958 [0,1,1,0,0,0|2,0,0]=4 2695 B14R1.14 C#CCCCCOc1ccc(cc1)C 7a_100000210336_100010269958 [0,1,1,0,0,0|2,0,0]=4 2696 B14R1.14 C#CCCCCOc1ccc(cc1)Cl 34a_100000210216_100010269958 [0,1,1,0,0,0|2,0,0]=4 2697 B14R1.14 C#CCCCCOc1ccc(cc1)Cl 7a_100000210216_100010269958 [0,1,1,0,0,0|2,0,0]=4 2698 B14R1.14 C#CCCCCOc1ccc(cc1)F 34a_100000210339_100010269958 [0,1,1,0,0,0|2,0,0]=4 2699 B14R1.14 C#CCCCCOc1ccc(cc1)I 34a_100000212066_100010269958 [0,1,1,0,0,0|2,0,0]=4 2700 B14R1.14 C#CCCCCOc1ccc(cc1)I 7a_100000212066_100010269958 [0,1,1,0,0,0|2,0,0]=4 2701 B14R1.14 C#CCCCCOc1ccc(cc1)N 34a_100000185829_100010269958 [0,1,1,0,0,0|2,0,0]=4 2702 B14R1.14 C#CCCCCSc1ccc(cc1)Br 62a_100000752885_100010269958 [0,1,1,0,0,0|2,0,0]=4 2703 B14R1.14 C#CCCCCSc1ccc(cc1)Br 62a_100010269958_100000752885 [0,1,1,0,0,0|2,0,0]=4 2704 B14R1.14 C#CCCCCSc1ccc(cc1)C 62a_100000186775_100010269958 [0,1,1,0,0,0|2,0,0]=4 2705 B14R1.14 C#CCCCCSc1ccc(cc1)C 62a_100010269958_100000186775 [0,1,1,0,0,0|2,0,0]=4 2706 B14R1.14 C#CCCCCSc1ccc(cc1)Cl 62a_100000755918_100010269958 [0,1,1,0,0,0|2,0,0]=4 2707 B14R1.14 C#CCCCCSc1ccc(cc1)Cl 62a_100010269958_100000755918 [0,1,1,0,0,0|2,0,0]=4 2708 B14R1.14 C#CCCCCSc1ccc(cc1)F 62a_100000211213_100010269958 [0,1,1,0,0,0|2,0,0]=4 2709 B14R1.14 C#CCCCCSc1ccc(cc1)F 62a_100010269958_100000211213 [0,1,1,0,0,0|2,0,0]=4 2710 B14R1.14 C#CCCCCSc1ccc(cc1)N 62a_100000185761_100010269958 [0,1,1,0,0,0|2,0,0]=4 2711 B14R1.14 C#CCCCCSc1ccc(cc1)N 62a_100010269958_100000185761 [0,1,1,0,0,0|2,0,0]=4 2712 B14R1.14 C#CCCCCSc1ccc(cc1)O 62a_100010269958_100000185759 [0,1,1,0,0,0|2,0,0]=4 2713 B14R1.14 C#CCCCNCc1ccc(cc1)Br 207a_100000718082_100000186029 [0,1,1,0,0,0|2,0,0]=4 2714 B14R1.14 C#CCCCNCc1ccc(cc1)Br 2230a_100000174875_100000731252 [0,1,1,0,0,0|2,0,0]=4 2715 B14R1.14 C#CCCCNCc1ccc(cc1)Br 270004a_100000718082_100000186029 [0,1,1,0,0,0|2,0,0]=4 2716 B14R1.14 C#CCCCNCc1ccc(cc1)Br 34a_100000174875_100000695029 [0,1,1,0,0,0|2,0,0]=4 2717 B14R1.14 C#CCCCNCc1ccc(cc1)Br 34a_100000718082_100000189115 [0,1,1,0,0,0|2,0,0]=4 2718 B14R1.14 C#CCCCNCc1ccc(cc1)C 207a_100000718082_100000211033 [0,1,1,0,0,0|2,0,0]=4 2719 B14R1.14 C#CCCCNCc1ccc(cc1)C 2230a_100000174908_100000731252 [0,1,1,0,0,0|2,0,0]=4 2720 B14R1.14 C#CCCCNCc1ccc(cc1)C 270004a_100000718082_100000211033 [0,1,1,0,0,0|2,0,0]=4 2721 B14R1.14 C#CCCCNCc1ccc(cc1)C 34a_100000174908_100000695029 [0,1,1,0,0,0|2,0,0]=4 2722 B14R1.14 C#CCCCNCc1ccc(cc1)C 34a_100000718082_100000210814 [0,1,1,0,0,0|2,0,0]=4 2723 B14R1.14 C#CCCCNCc1ccc(cc1)Cl 207a_100000718082_100000189385 [0,1,1,0,0,0|2,0,0]=4 2724 B14R1.14 C#CCCCNCc1ccc(cc1)Cl 2230a_100000174871_100000731252 [0,1,1,0,0,0|2,0,0]=4 2725 B14R1.14 C#CCCCNCc1ccc(cc1)Cl 270004a_100000718082_100000189385 [0,1,1,0,0,0|2,0,0]=4 2726 B14R1.14 C#CCCCNCc1ccc(cc1)Cl 34a_100000174871_100000695029 [0,1,1,0,0,0|2,0,0]=4 2727 B14R1.14 C#CCCCNCc1ccc(cc1)Cl 34a_100000718082_100000694040 [0,1,1,0,0,0|2,0,0]=4 2728 B14R1.14 C#CCCCNCc1ccc(cc1)F 207a_100000718082_100000210084 [0,1,1,0,0,0|2,0,0]=4 2729 B14R1.14 C#CCCCNCc1ccc(cc1)F 2230a_100000174882_100000731252 [0,1,1,0,0,0|2,0,0]=4 2730 B14R1.14 C#CCCCNCc1ccc(cc1)F 270004a_100000718082_100000210084 [0,1,1,0,0,0|2,0,0]=4 2731 B14R1.14 C#CCCCNCc1ccc(cc1)F 34a_100000174882_100000695029 [0,1,1,0,0,0|2,0,0]=4 2732 B14R1.14 C#CCCCNCc1ccc(cc1)F 34a_100000718082_100000198546 [0,1,1,0,0,0|2,0,0]=4 2733 B14R1.14 C#CCCCNCc1ccc(cc1)I 207a_100000718082_100000188517 [0,1,1,0,0,0|2,0,0]=4 2734 B14R1.14 C#CCCCNCc1ccc(cc1)I 2230a_100016989417_100000731252 [0,1,1,0,0,0|2,0,0]=4 2735 B14R1.14 C#CCCCNCc1ccc(cc1)I 34a_100000718082_100000189116 [0,1,1,0,0,0|2,0,0]=4 2736 B14R1.14 C#CCCCNCc1ccc(cc1)I 34a_100016989417_100000695029 [0,1,1,0,0,0|2,0,0]=4 2737 B14R1.14 C#CCCCNCc1ccc(cc1)O 34a_100000185549_100000695029 [0,1,1,0,0,0|2,0,0]=4 2738 B14R1.14 C#CCCCOCc1ccc(cc1)Br 34a_100000215630_100000189115 [0,1,1,0,0,0|2,0,0]=4 2739 B14R1.14 C#CCCCOCc1ccc(cc1)Br 34a_100000695286_100000695029 [0,1,1,0,0,0|2,0,0]=4 2740 B14R1.14 C#CCCCOCc1ccc(cc1)Br 7a_100000215630_100011217064 [0,1,1,0,0,0|2,0,0]=4 2741 B14R1.14 C#CCCCOCc1ccc(cc1)C 34a_100000215630_100000210814 [0,1,1,0,0,0|2,0,0]=4 2742 B14R1.14 C#CCCCOCc1ccc(cc1)C 34a_100011215236_100000695029 [0,1,1,0,0,0|2,0,0]=4 2743 B14R1.14 C#CCCCOCc1ccc(cc1)C 7a_100000215630_100000210814 [0,1,1,0,0,0|2,0,0]=4 2744 B14R1.14 C#CCCCOCc1ccc(cc1)C 7a_100011215236_100011215417 [0,1,1,0,0,0|2,0,0]=4 2745 B14R1.14 C#CCCCOCc1ccc(cc1)Cl 34a_100000211118_100000695029 [0,1,1,0,0,0|2,0,0]=4 2746 B14R1.14 C#CCCCOCc1ccc(cc1)Cl 34a_100000215630_100000694040 [0,1,1,0,0,0|2,0,0]=4 2747 B14R1.14 C#CCCCOCc1ccc(cc1)Cl 7a_100000211118_100011215417 [0,1,1,0,0,0|2,0,0]=4 2748 B14R1.14 C#CCCCOCc1ccc(cc1)Cl 7a_100000215630_100000187161 [0,1,1,0,0,0|2,0,0]=4 2749 B14R1.14 C#CCCCOCc1ccc(cc1)F 34a_100000210977_100000695029 [0,1,1,0,0,0|2,0,0]=4 2750 B14R1.14 C#CCCCOCc1ccc(cc1)F 34a_100000215630_100000198546 [0,1,1,0,0,0|2,0,0]=4 2751 B14R1.14 C#CCCCOCc1ccc(cc1)F 7a_100000210977_100011215417 [0,1,1,0,0,0|2,0,0]=4 2752 B14R1.14 C#CCCCOCc1ccc(cc1)F 7a_100000215630_100000198546 [0,1,1,0,0,0|2,0,0]=4 2753 B14R1.14 C#CCCCOCc1ccc(cc1)I 34a_100000215630_100000189116 [0,1,1,0,0,0|2,0,0]=4 2754 B14R1.14 C#CCCCOCc1ccc(cc1)I 34a_100000690907_100000695029 [0,1,1,0,0,0|2,0,0]=4 2755 B14R1.14 C#CCCCOCc1ccc(cc1)I 7a_100000215630_100000189116 [0,1,1,0,0,0|2,0,0]=4 2756 B14R1.14 C#CCCCOCc1ccc(cc1)I 7a_100000690907_100011215417 [0,1,1,0,0,0|2,0,0]=4 2757 B14R1.14 C#CCCCOCc1ccc(cc1)N 34a_100011215238_100000695029 [0,1,1,0,0,0|2,0,0]=4 2758 B14R1.14 C#CCCCSCc1ccc(cc1)Br 62a_100000189115_100011215417 [0,1,1,0,0,0|2,0,0]=4 2759 B14R1.14 C#CCCCSCc1ccc(cc1)Br 62a_100011215417_100000189115 [0,1,1,0,0,0|2,0,0]=4 2760 B14R1.14 C#CCCCSCc1ccc(cc1)C 62a_100000210814_100011215417 [0,1,1,0,0,0|2,0,0]=4 2761 B14R1.14 C#CCCCSCc1ccc(cc1)C 62a_100011215417_100000210814 [0,1,1,0,0,0|2,0,0]=4 2762 B14R1.14 C#CCCCSCc1ccc(cc1)Cl 62a_100000187161_100011215417 [0,1,1,0,0,0|2,0,0]=4 2763 B14R1.14 C#CCCCSCc1ccc(cc1)Cl 62a_100011215417_100000187161 [0,1,1,0,0,0|2,0,0]=4 2764 B14R1.14 C#CCCCSCc1ccc(cc1)F 62a_100000198546_100011215417 [0,1,1,0,0,0|2,0,0]=4 2765 B14R1.14 C#CCCCSCc1ccc(cc1)F 62a_100011215417_100000187164 [0,1,1,0,0,0|2,0,0]=4 2766 B14R1.14 C#CCCCSCc1ccc(cc1)I 62a_100000189116_100011215417 [0,1,1,0,0,0|2,0,0]=4 2767 B14R1.14 C#CCCCSCc1ccc(cc1)I 62a_100011215417_100000189116 [0,1,1,0,0,0|2,0,0]=4 2768 B14R1.14 C#CCCNCCc1ccc(cc1)Br 2230a_100000755846_100000688953 [0,1,1,0,0,0|2,0,0]=4 2769 B14R1.14 C#CCCNCCc1ccc(cc1)Br 34a_100000755551_100011740612 [0,1,1,0,0,0|2,0,0]=4 2770 B14R1.14 C#CCCNCCc1ccc(cc1)Br 34a_100000755846_100000688953 [0,1,1,0,0,0|2,0,0]=4 2771 B14R1.14 C#CCCNCCc1ccc(cc1)C 2230a_100000705350_100000688953 [0,1,1,0,0,0|2,0,0]=4 2772 B14R1.14 C#CCCNCCc1ccc(cc1)C 34a_100000705350_100000688953 [0,1,1,0,0,0|2,0,0]=4 2773 B14R1.14 C#CCCNCCc1ccc(cc1)C 34a_100000755551_100011713686 [0,1,1,0,0,0|2,0,0]=4 2774 B14R1.14 C#CCCNCCc1ccc(cc1)Cl 2230a_100000185265_100000688953 [0,1,1,0,0,0|2,0,0]=4 2775 B14R1.14 C#CCCNCCc1ccc(cc1)Cl 34a_100000185265_100000688953 [0,1,1,0,0,0|2,0,0]=4 2776 B14R1.14 C#CCCNCCc1ccc(cc1)Cl 34a_100000755551_100011713675 [0,1,1,0,0,0|2,0,0]=4 2777 B14R1.14 C#CCCNCCc1ccc(cc1)F 2230a_100000199005_100000688953 [0,1,1,0,0,0|2,0,0]=4 2778 B14R1.14 C#CCCNCCc1ccc(cc1)F 34a_100000199005_100000688953 [0,1,1,0,0,0|2,0,0]=4 2779 B14R1.14 C#CCCNCCc1ccc(cc1)F 34a_100000755551_100011217392 [0,1,1,0,0,0|2,0,0]=4 2780 B14R1.14 C#CCCNCCc1ccc(cc1)O 34a_100000743037_100000688953 [0,1,1,0,0,0|2,0,0]=4 2781 B14R1.14 C#CCCOCCc1ccc(cc1)Br 34a_100000766406_100000688953 [0,1,1,0,0,0|2,0,0]=4 2782 B14R1.14 C#CCCOCCc1ccc(cc1)Br 34a_100011215631_100011740612 [0,1,1,0,0,0|2,0,0]=4 2783 B14R1.14 C#CCCOCCc1ccc(cc1)Br 7a_100000766406_100000688953 [0,1,1,0,0,0|2,0,0]=4 2784 B14R1.14 C#CCCOCCc1ccc(cc1)C 34a_100000756670_100000688953 [0,1,1,0,0,0|2,0,0]=4 2785 B14R1.14 C#CCCOCCc1ccc(cc1)C 34a_100011215631_100011713686 [0,1,1,0,0,0|2,0,0]=4 2786 B14R1.14 C#CCCOCCc1ccc(cc1)C 7a_100000756670_100000688953 [0,1,1,0,0,0|2,0,0]=4 2787 B14R1.14 C#CCCOCCc1ccc(cc1)Cl 34a_100011215631_100011713675 [0,1,1,0,0,0|2,0,0]=4 2788 B14R1.14 C#CCCOCCc1ccc(cc1)Cl 34a_100011219627_100000688953 [0,1,1,0,0,0|2,0,0]=4 2789 B14R1.14 C#CCCOCCc1ccc(cc1)Cl 7a_100011219627_100000688953 [0,1,1,0,0,0|2,0,0]=4 2790 B14R1.14 C#CCCOCCc1ccc(cc1)F 34a_100000754732_100000688953 [0,1,1,0,0,0|2,0,0]=4 2791 B14R1.14 C#CCCOCCc1ccc(cc1)F 34a_100011215631_100011217392 [0,1,1,0,0,0|2,0,0]=4 2792 B14R1.14 C#CCCOCCc1ccc(cc1)F 7a_100000754732_100000688953 [0,1,1,0,0,0|2,0,0]=4 2793 B14R1.14 C#CCCOCCc1ccc(cc1)I 34a_100012291149_100000688953 [0,1,1,0,0,0|2,0,0]=4 2794 B14R1.14 C#CCCOCCc1ccc(cc1)I 7a_100012291149_100000688953 [0,1,1,0,0,0|2,0,0]=4 2795 B14R1.14 C#CCCOCCc1ccc(cc1)N 34a_100011204434_100000688953 [0,1,1,0,0,0|2,0,0]=4 2796 B14R1.14 C#CCCSCCc1ccc(cc1)Br 62a_100000688953_100011740612 [0,1,1,0,0,0|2,0,0]=4 2797 B14R1.14 C#CCCSCCc1ccc(cc1)Br 62a_100011740612_100000688953 [0,1,1,0,0,0|2,0,0]=4 2798 B14R1.14 C#CCCSCCc1ccc(cc1)C 62a_100000688953_100011713686 [0,1,1,0,0,0|2,0,0]=4 2799 B14R1.14 C#CCCSCCc1ccc(cc1)C 62a_100011713686_100000688953 [0,1,1,0,0,0|2,0,0]=4 2800 B14R1.14 C#CCCSCCc1ccc(cc1)Cl 62a_100000688953_100011713675 [0,1,1,0,0,0|2,0,0]=4 2801 B14R1.14 C#CCCSCCc1ccc(cc1)Cl 62a_100011713675_100000688953 [0,1,1,0,0,0|2,0,0]=4 2802 B14R1.14 C#CCCSCCc1ccc(cc1)F 62a_100000688953_100011217392 [0,1,1,0,0,0|2,0,0]=4 2803 B14R1.14 C#CCCSCCc1ccc(cc1)F 62a_100011217392_100000688953 [0,1,1,0,0,0|2,0,0]=4 2804 B14R1.14 C#CCCSCCc1ccc(cc1)O 62a_100000688953_100009816426 [0,1,1,0,0,0|2,0,0]=4 2805 B14R1.14 C#CCCSCCc1ccc(cc1)O 62a_100009816426_100000688953 [0,1,1,0,0,0|2,0,0]=4 2806 B14R1.14 C#CCNCC#Cc1ccc(cc1)Br 34a_100000212058_100010706785 [0,1,1,0,0,0|0,0,2]=4 2807 B14R1.14 C#CCNCC#Cc1ccc(cc1)Cl 2230a_100011352944_100000038162 [0,1,1,0,0,0|0,0,2]=4 2808 B14R1.14 C#CCNCC#Cc1ccc(cc1)Cl 34a_100011352944_100000184674 [0,1,1,0,0,0|0,0,2]=4 2809 B14R1.14 C#CCNCC#Cc1ccc(cc1)F 34a_100000212058_100010402171 [0,1,1,0,0,0|0,0,2]=4 2810 B14R1.14 C#CCNCCCc1ccc(cc1)Br 2230a_100011297623_100000038162 [0,1,1,0,0,0|0,0,0]=2 2811 B14R1.14 C#CCNCCCc1ccc(cc1)Br 34a_100000212058_100011713682 [0,1,1,0,0,0|0,0,0]=2 2812 B14R1.14 C#CCNCCCc1ccc(cc1)Br 34a_100011297623_100000184674 [0,1,1,0,0,0|0,0,0]=2 2813 B14R1.14 C#CCNCCCc1ccc(cc1)C 2230a_100011236272_100000038162 [0,1,1,0,0,0|0,0,0]=2 2814 B14R1.14 C#CCNCCCc1ccc(cc1)C 34a_100011236272_100000184674 [0,1,1,0,0,0|0,0,0]=2 2815 B14R1.14 C#CCNCCCc1ccc(cc1)Cl 2230a_100000748451_100000038162 [0,1,1,0,0,0|0,0,0]=2 2816 B14R1.14 C#CCNCCCc1ccc(cc1)Cl 34a_100000212058_100000759440 [0,1,1,0,0,0|0,0,0]=2 2817 B14R1.14 C#CCNCCCc1ccc(cc1)Cl 34a_100000748451_100000184674 [0,1,1,0,0,0|0,0,0]=2 2818 B14R1.14 C#CCNCCCc1ccc(cc1)F 2230a_100025745824_100000038162 [0,1,1,0,0,0|0,0,0]=2 2819 B14R1.14 C#CCNCCCc1ccc(cc1)F 34a_100000212058_200011713563 [0,1,1,0,0,0|0,0,0]=2 2820 B14R1.14 C#CCNCCCc1ccc(cc1)F 34a_100025745824_100000184674 [0,1,1,0,0,0|0,0,0]=2 2821 B14R1.14 C#CCNCCOc1ccc(cc1)Br 2230a_100000746992_100000038162 [0,1,1,0,0,0|1,0,0]=3 2822 B14R1.14 C#CCNCCOc1ccc(cc1)Br 34a_100000212058_100000183278 [0,1,1,0,0,0|1,0,0]=3 2823 B14R1.14 C#CCNCCOc1ccc(cc1)Br 34a_100000746992_100000184674 [0,1,1,0,0,0|1,0,0]=3 2824 B14R1.14 C#CCNCCOc1ccc(cc1)C 2230a_100020666663_100000038162 [0,1,1,0,0,0|1,0,0]=3 2825 B14R1.14 C#CCNCCOc1ccc(cc1)C 34a_100000212058_100000183172 [0,1,1,0,0,0|1,0,0]=3 2826 B14R1.14 C#CCNCCOc1ccc(cc1)C 34a_100020666663_100000184674 [0,1,1,0,0,0|1,0,0]=3 2827 B14R1.14 C#CCNCCOc1ccc(cc1)Cl 2230a_100000697975_100000038162 [0,1,1,0,0,0|1,0,0]=3 2828 B14R1.14 C#CCNCCOc1ccc(cc1)Cl 34a_100000212058_100000184122 [0,1,1,0,0,0|1,0,0]=3 2829 B14R1.14 C#CCNCCOc1ccc(cc1)Cl 34a_100000697975_100000184674 [0,1,1,0,0,0|1,0,0]=3 2830 B14R1.14 C#CCNCCOc1ccc(cc1)F 2230a_100000737420_100000038162 [0,1,1,0,0,0|1,0,0]=3 2831 B14R1.14 C#CCNCCOc1ccc(cc1)F 34a_100000212058_100000184936 [0,1,1,0,0,0|1,0,0]=3 2832 B14R1.14 C#CCNCCOc1ccc(cc1)F 34a_100000737420_100000184674 [0,1,1,0,0,0|1,0,0]=3 2833 B14R1.14 C#CCNCCSc1ccc(cc1)Br 2230a_100000184645_100000038162 [0,1,1,0,0,0|1,0,0]=3 2834 B14R1.14 C#CCNCCSc1ccc(cc1)C 2230a_100000739754_100000038162 [0,1,1,0,0,0|1,0,0]=3 2835 B14R1.14 C#CCNCCSc1ccc(cc1)Cl 2230a_100000174974_100000038162 [0,1,1,0,0,0|1,0,0]=3 2836 B14R1.14 C#CCOCCCc1ccc(cc1)Br 34a_100000210247_100011713682 [0,1,1,0,0,0|1,0,0]=3 2837 B14R1.14 C#CCOCCCc1ccc(cc1)Br 34a_100011709247_100000184674 [0,1,1,0,0,0|1,0,0]=3 2838 B14R1.14 C#CCOCCCc1ccc(cc1)Br 7a_100011709247_100000038162 [0,1,1,0,0,0|1,0,0]=3 2839 B14R1.14 C#CCOCCCc1ccc(cc1)C 34a_100000189427_100000184674 [0,1,1,0,0,0|1,0,0]=3 2840 B14R1.14 C#CCOCCCc1ccc(cc1)C 7a_100000189427_100000038162 [0,1,1,0,0,0|1,0,0]=3 2841 B14R1.14 C#CCOCCCc1ccc(cc1)Cl 34a_100000210247_100000759440 [0,1,1,0,0,0|1,0,0]=3 2842 B14R1.14 C#CCOCCCc1ccc(cc1)Cl 34a_100011217485_100000184674 [0,1,1,0,0,0|1,0,0]=3 2843 B14R1.14 C#CCOCCCc1ccc(cc1)Cl 7a_100011217485_100000038162 [0,1,1,0,0,0|1,0,0]=3 2844 B14R1.14 C#CCOCCCc1ccc(cc1)F 34a_100000210247_200011713563 [0,1,1,0,0,0|1,0,0]=3 2845 B14R1.14 C#CCOCCCc1ccc(cc1)F 34a_100000757351_100000184674 [0,1,1,0,0,0|1,0,0]=3 2846 B14R1.14 C#CCOCCCc1ccc(cc1)F 7a_100000757351_100000038162 [0,1,1,0,0,0|1,0,0]=3 2847 B14R1.14 C#CCOCCNc1ccc(cc1)Br 2230a_100000210018_100010402529 [0,1,1,0,0,0|2,0,0]=4 2848 B14R1.14 C#CCOCCNc1ccc(cc1)Br 34a_100000210018_100010402529 [0,1,1,0,0,0|2,0,0]=4 2849 B14R1.14 C#CCOCCNc1ccc(cc1)C 34a_100000124888_100010402529 [0,1,1,0,0,0|2,0,0]=4 2850 B14R1.14 C#CCOCCNc1ccc(cc1)Cl 2230a_100000210052_100010402529 [0,1,1,0,0,0|2,0,0]=4 2851 B14R1.14 C#CCOCCNc1ccc(cc1)Cl 34a_100000210052_100010402529 [0,1,1,0,0,0|2,0,0]=4 2852 B14R1.14 C#CCOCCNc1ccc(cc1)F 34a_100000185862_100010402529 [0,1,1,0,0,0|2,0,0]=4 2853 B14R1.14 C#CCOCCNc1ccc(cc1)I 34a_100000185761_100010402529 [0,1,1,0,0,0|2,0,0]=4 2854 B14R1.14 C#CCOCCNc1ccc(cc1)O 34a_100000185829_100010402529 [0,1,1,0,0,0|2,0,0]=4 2855 B14R1.14 C#CCOCCOc1ccc(cc1)Br 34a_100000185759_100010402529 [0,1,1,0,0,0|2,0,0]=4 2856 B14R1.14 C#CCOCCOc1ccc(cc1)Br 34a_100000210247_100000183278 [0,1,1,0,0,0|2,0,0]=4 2857 B14R1.14 C#CCOCCOc1ccc(cc1)Br 34a_100000686261_100000184674 [0,1,1,0,0,0|2,0,0]=4 2858 B14R1.14 C#CCOCCOc1ccc(cc1)Br 7a_100000185759_100010402529 [0,1,1,0,0,0|2,0,0]=4 2859 B14R1.14 C#CCOCCOc1ccc(cc1)Br 7a_100000686261_100000038162 [0,1,1,0,0,0|2,0,0]=4 2860 B14R1.14 C#CCOCCOc1ccc(cc1)C 34a_100000210247_100000183172 [0,1,1,0,0,0|2,0,0]=4 2861 B14R1.14 C#CCOCCOc1ccc(cc1)C 34a_100000210336_100010402529 [0,1,1,0,0,0|2,0,0]=4 2862 B14R1.14 C#CCOCCOc1ccc(cc1)C 34a_100011219107_100000184674 [0,1,1,0,0,0|2,0,0]=4 2863 B14R1.14 C#CCOCCOc1ccc(cc1)C 7a_100000210336_100010402529 [0,1,1,0,0,0|2,0,0]=4 2864 B14R1.14 C#CCOCCOc1ccc(cc1)C 7a_100011219107_100000038162 [0,1,1,0,0,0|2,0,0]=4 2865 B14R1.14 C#CCOCCOc1ccc(cc1)Cl 34a_100000210216_100010402529 [0,1,1,0,0,0|2,0,0]=4 2866 B14R1.14 C#CCOCCOc1ccc(cc1)Cl 34a_100000210247_100000184122 [0,1,1,0,0,0|2,0,0]=4 2867 B14R1.14 C#CCOCCOc1ccc(cc1)Cl 34a_100000237962_100000184674 [0,1,1,0,0,0|2,0,0]=4 2868 B14R1.14 C#CCOCCOc1ccc(cc1)Cl 7a_100000210216_100010402529 [0,1,1,0,0,0|2,0,0]=4 2869 B14R1.14 C#CCOCCOc1ccc(cc1)Cl 7a_100000237962_100000038162 [0,1,1,0,0,0|2,0,0]=4 2870 B14R1.14 C#CCOCCOc1ccc(cc1)F 34a_100000210247_100000184936 [0,1,1,0,0,0|2,0,0]=4 2871 B14R1.14 C#CCOCCOc1ccc(cc1)F 34a_100000210339_100010402529 [0,1,1,0,0,0|2,0,0]=4 2872 B14R1.14 C#CCOCCOc1ccc(cc1)I 34a_100000212066_100010402529 [0,1,1,0,0,0|2,0,0]=4 2873 B14R1.14 C#CCOCCOc1ccc(cc1)I 7a_100000212066_100010402529 [0,1,1,0,0,0|2,0,0]=4 2874 B14R1.14 C#CCOCCOc1ccc(cc1)N 34a_100000185829_100010402529 [0,1,1,0,0,0|2,0,0]=4 2875 B14R1.14 C#CCOCCOc1ccc(cc1)N 34a_100000754363_100000184674 [0,1,1,0,0,0|2,0,0]=4 2876 B14R1.14 C#CCOCCSc1ccc(cc1)Br 62a_100000752885_100010402529 [0,1,1,0,0,0|2,0,0]=4 2877 B14R1.14 C#CCOCCSc1ccc(cc1)Br 62a_100010402529_100000752885 [0,1,1,0,0,0|2,0,0]=4 2878 B14R1.14 C#CCOCCSc1ccc(cc1)C 34a_200000230582_100000184674 [0,1,1,0,0,0|2,0,0]=4 2879 B14R1.14 C#CCOCCSc1ccc(cc1)C 62a_100000186775_100010402529 [0,1,1,0,0,0|2,0,0]=4 2880 B14R1.14 C#CCOCCSc1ccc(cc1)C 62a_100010402529_100000186775 [0,1,1,0,0,0|2,0,0]=4 2881 B14R1.14 C#CCOCCSc1ccc(cc1)C 7a_200000230582_100000038162 [0,1,1,0,0,0|2,0,0]=4 2882 B14R1.14 C#CCOCCSc1ccc(cc1)Cl 34a_100000230527_100000184674 [0,1,1,0,0,0|2,0,0]=4 2883 B14R1.14 C#CCOCCSc1ccc(cc1)Cl 62a_100000755918_100010402529 [0,1,1,0,0,0|2,0,0]=4 2884 B14R1.14 C#CCOCCSc1ccc(cc1)Cl 62a_100010402529_100000755918 [0,1,1,0,0,0|2,0,0]=4 2885 B14R1.14 C#CCOCCSc1ccc(cc1)Cl 7a_100000230527_100000038162 [0,1,1,0,0,0|2,0,0]=4 2886 B14R1.14 C#CCOCCSc1ccc(cc1)F 34a_200000230679_100000184674 [0,1,1,0,0,0|2,0,0]=4 2887 B14R1.14 C#CCOCCSc1ccc(cc1)F 62a_100000211213_100010402529 [0,1,1,0,0,0|2,0,0]=4 2888 B14R1.14 C#CCOCCSc1ccc(cc1)F 62a_100010402529_100000211213 [0,1,1,0,0,0|2,0,0]=4 2889 B14R1.14 C#CCOCCSc1ccc(cc1)F 7a_200000230679_100000038162 [0,1,1,0,0,0|2,0,0]=4 2890 B14R1.14 C#CCOCCSc1ccc(cc1)N 62a_100000185761_100010402529 [0,1,1,0,0,0|2,0,0]=4 2891 B14R1.14 C#CCOCCSc1ccc(cc1)N 62a_100010402529_100000185761 [0,1,1,0,0,0|2,0,0]=4 2892 B14R1.14 C#CCOCCSc1ccc(cc1)O 62a_100010402529_100000185759 [0,1,1,0,0,0|2,0,0]=4 2893 B14R1.14 C#CCSCCCc1ccc(cc1)Br 62a_100000038162_100011713682 [0,1,1,0,0,0|1,0,0]=3 2894 B14R1.14 C#CCSCCCc1ccc(cc1)Cl 62a_100000038162_100000759440 [0,1,1,0,0,0|1,0,0]=3 2895 B14R1.14 C#CCSCCCc1ccc(cc1)F 62a_100000038162_200011713563 [0,1,1,0,0,0|1,0,0]=3 2896 B14R1.14 C#CCSCCOc1ccc(cc1)Br 62a_100000038162_100000183278 [0,1,1,0,0,0|2,0,0]=4 2897 B14R1.14 C#CCSCCOc1ccc(cc1)C 62a_100000038162_100000183172 [0,1,1,0,0,0|2,0,0]=4 2898 B14R1.14 C#CCSCCOc1ccc(cc1)Cl 62a_100000038162_100000184122 [0,1,1,0,0,0|2,0,0]=4 2899 B14R1.14 C#CCSCCOc1ccc(cc1)F 62a_100000038162_100000184936 [0,1,1,0,0,0|2,0,0]=4 2900 B14R1.14 C=CCNCCCc1ccc(cc1)Br 2230a_100011297623_100000210623 [0,1,1,0,0,0|0,0,2]=4 2901 B14R1.14 C=CCNCCCc1ccc(cc1)Br 2230a_100020586998_100011713682 [0,1,1,0,0,0|0,0,2]=4 2902 B14R1.14 C=CCNCCCc1ccc(cc1)Br 34a_100011297623_100015514636 [0,1,1,0,0,0|0,0,2]=4 2903 B14R1.14 C=CCNCCCc1ccc(cc1)C 2230a_100011236272_100000210623 [0,1,1,0,0,0|0,0,2]=4 2904 B14R1.14 C=CCNCCCc1ccc(cc1)C 34a_100011236272_100015514636 [0,1,1,0,0,0|0,0,2]=4 2905 B14R1.14 C=CCNCCCc1ccc(cc1)Cl 2230a_100000748451_100000210623 [0,1,1,0,0,0|0,0,2]=4 2906 B14R1.14 C=CCNCCCc1ccc(cc1)Cl 2230a_100020586998_100000759440 [0,1,1,0,0,0|0,0,2]=4 2907 B14R1.14 C=CCNCCCc1ccc(cc1)Cl 34a_100000748451_100015514636 [0,1,1,0,0,0|0,0,2]=4 2908 B14R1.14 C=CCNCCCc1ccc(cc1)F 2230a_100020586998_200011713563 [0,1,1,0,0,0|0,0,2]=4 2909 B14R1.14 C=CCNCCCc1ccc(cc1)F 2230a_100025745824_100000210623 [0,1,1,0,0,0|0,0,2]=4 2910 B14R1.14 C=CCNCCCc1ccc(cc1)F 34a_100025745824_100015514636 [0,1,1,0,0,0|0,0,2]=4 2911 B14R1.14 CCCNCCCc1ccc(cc1)Br 2230a_100011297623_100000210303 [0,1,1,0,0,0|0,0,2]=4 2912 B14R1.14 CCCNCCCc1ccc(cc1)Br 34a_100011297623_100000210303 [0,1,1,0,0,0|0,0,2]=4 2913 B14R1.14 CCCNCCCc1ccc(cc1)C 2230a_100011236272_100000210303 [0,1,1,0,0,0|0,0,2]=4 2914 B14R1.14 CCCNCCCc1ccc(cc1)C 34a_100011236272_100000210303 [0,1,1,0,0,0|0,0,2]=4 2915 B14R1.14 CCCNCCCc1ccc(cc1)Cl 2230a_100000748451_100000210303 [0,1,1,0,0,0|0,0,2]=4 2916 B14R1.14 CCCNCCCc1ccc(cc1)Cl 34a_100000748451_100000210303 [0,1,1,0,0,0|0,0,2]=4 2917 B14R1.14 CCCNCCCc1ccc(cc1)F 2230a_100025745824_100000210303 [0,1,1,0,0,0|0,0,2]=4 2918 B14R1.14 CCCNCCCc1ccc(cc1)F 34a_100025745824_100000210303 [0,1,1,0,0,0|0,0,2]=4 2919 B14R1.14 COCNCCCc1ccc(cc1)Br 2230a_100011297623_100000766300 [0,1,1,0,0,0|1,0,1]=4 2920 B14R1.14 COCNCCCc1ccc(cc1)C 2230a_100011236272_100000766300 [0,1,1,0,0,0|1,0,1]=4 2921 B14R1.14 COCNCCCc1ccc(cc1)Cl 2230a_100000748451_100000766300 [0,1,1,0,0,0|1,0,1]=4 2922 B14R1.14 COCNCCCc1ccc(cc1)F 2230a_100025745824_100000766300 [0,1,1,0,0,0|1,0,1]=4 2923 B14R1.14 CSCNCCCc1ccc(cc1)Br 2230a_100011297623_100011218213 [0,1,1,0,0,0|1,0,1]=4 2924 B14R1.14 CSCNCCCc1ccc(cc1)Br 34a_100011297623_100011218213 [0,1,1,0,0,0|1,0,1]=4 2925 B14R1.14 CSCNCCCc1ccc(cc1)C 2230a_100011236272_100011218213 [0,1,1,0,0,0|1,0,1]=4 2926 B14R1.14 CSCNCCCc1ccc(cc1)C 34a_100011236272_100011218213 [0,1,1,0,0,0|1,0,1]=4 2927 B14R1.14 CSCNCCCc1ccc(cc1)Cl 2230a_100000748451_100011218213 [0,1,1,0,0,0|1,0,1]=4 2928 B14R1.14 CSCNCCCc1ccc(cc1)Cl 34a_100000748451_100011218213 [0,1,1,0,0,0|1,0,1]=4 2929 B14R1.14 CSCNCCCc1ccc(cc1)F 2230a_100025745824_100011218213 [0,1,1,0,0,0|1,0,1]=4 2930 B14R1.14 CSCNCCCc1ccc(cc1)F 34a_100025745824_100011218213 [0,1,1,0,0,0|1,0,1]=4 2931 B14R1.14 Cc1ccc(cc1)CCCNCC#N 2230a_100011236272_100011215382 [0,1,1,0,0,0|1,0,0]=3 2932 B14R1.14 Cc1ccc(cc1)CCCNCC=O 2230a_100011236272_200015260668 [0,1,1,0,0,0|1,0,1]=4 2933 B14R1.14 Cc1ccc(cc1)CCCNCC=O 34a_100011236272_200009817547 [0,1,1,0,0,0|1,0,1]=4 2934 B14R1.14 Cc1ccc(cc1)CCCNCCF 2230a_100011236272_100011217306 [0,1,1,0,0,0|1,0,1]=4 2935 B14R1.14 Cc1ccc(cc1)CCCNCCF 34a_100011236272_100011217306 [0,1,1,0,0,0|1,0,1]=4 2936 B14R1.14 Cc1ccc(cc1)CCCNCCO 2230a_100011236272_100000211926 [0,1,1,0,0,0|1,0,1]=4 2937 B14R1.14 Cc1ccc(cc1)CCCNCCO 34a_100011236272_100000211926 [0,1,1,0,0,0|1,0,1]=4 2938 B14R1.14 Cc1ccc(cc1)CCCOCC#N 7a_100000189427_100011215382 [0,1,1,0,0,0|2,0,0]=4 2939 B14R1.14 Cc1ccc(cc1)OCCNCC#N 2230a_100020666663_100011215382 [0,1,1,0,0,0|2,0,0]=4 2940 B14R1.14 Cc1ccc(cc1)SCCNCC#N 2230a_100000739754_100011215382 [0,1,1,0,0,0|2,0,0]=4 2941 B14R1.14 FCCNCCCc1ccc(cc1)Br 2230a_100011297623_100011217306 [0,1,1,0,0,0|1,0,1]=4 2942 B14R1.14 FCCNCCCc1ccc(cc1)Br 34a_100000724931_100011713682 [0,1,1,0,0,0|1,0,1]=4 2943 B14R1.14 FCCNCCCc1ccc(cc1)Br 34a_100011297623_100011217306 [0,1,1,0,0,0|1,0,1]=4 2944 B14R1.14 FCCNCCCc1ccc(cc1)Cl 2230a_100000748451_100011217306 [0,1,1,0,0,0|1,0,1]=4 2945 B14R1.14 FCCNCCCc1ccc(cc1)Cl 34a_100000724931_100000759440 [0,1,1,0,0,0|1,0,1]=4 2946 B14R1.14 FCCNCCCc1ccc(cc1)Cl 34a_100000748451_100011217306 [0,1,1,0,0,0|1,0,1]=4 2947 B14R1.14 FCCNCCCc1ccc(cc1)F 2230a_100025745824_100011217306 [0,1,1,0,0,0|1,0,1]=4 2948 B14R1.14 FCCNCCCc1ccc(cc1)F 34a_100000724931_200011713563 [0,1,1,0,0,0|1,0,1]=4 2949 B14R1.14 FCCNCCCc1ccc(cc1)F 34a_100025745824_100011217306 [0,1,1,0,0,0|1,0,1]=4 2950 B14R1.14 N#CCNCCCc1ccc(cc1)Br 2230a_100011297623_100011215382 [0,1,1,0,0,0|1,0,0]=3 2951 B14R1.14 N#CCNCCCc1ccc(cc1)Cl 2230a_100000748451_100011215382 [0,1,1,0,0,0|1,0,0]=3 2952 B14R1.14 N#CCNCCCc1ccc(cc1)F 2230a_100025745824_100011215382 [0,1,1,0,0,0|1,0,0]=3 2953 B14R1.14 N#CCNCCOc1ccc(cc1)Br 2230a_100000746992_100011215382 [0,1,1,0,0,0|2,0,0]=4 2954 B14R1.14 N#CCNCCOc1ccc(cc1)Cl 2230a_100000697975_100011215382 [0,1,1,0,0,0|2,0,0]=4 2955 B14R1.14 N#CCNCCOc1ccc(cc1)F 2230a_100000737420_100011215382 [0,1,1,0,0,0|2,0,0]=4 2956 B14R1.14 N#CCNCCSc1ccc(cc1)Br 2230a_100000184645_100011215382 [0,1,1,0,0,0|2,0,0]=4 2957 B14R1.14 N#CCNCCSc1ccc(cc1)Cl 2230a_100000174974_100011215382 [0,1,1,0,0,0|2,0,0]=4 2958 B14R1.14 N#CCOCCCc1ccc(cc1)Br 7a_100011709247_100011215382 [0,1,1,0,0,0|2,0,0]=4 2959 B14R1.14 N#CCOCCCc1ccc(cc1)Cl 7a_100011217485_100011215382 [0,1,1,0,0,0|2,0,0]=4 2960 B14R1.14 N#CCOCCCc1ccc(cc1)F 7a_100000757351_100011215382 [0,1,1,0,0,0|2,0,0]=4 2961 B14R1.14 N#CCSCCCc1ccc(cc1)Br 62a_100011215382_100011713682 [0,1,1,0,0,0|2,0,0]=4 2962 B14R1.14 N#CCSCCCc1ccc(cc1)Br 62a_100011713682_100011215382 [0,1,1,0,0,0|2,0,0]=4 2963 B14R1.14 N#CCSCCCc1ccc(cc1)Cl 62a_100000759440_100011215382 [0,1,1,0,0,0|2,0,0]=4 2964 B14R1.14 N#CCSCCCc1ccc(cc1)Cl 62a_100011215382_100000759440 [0,1,1,0,0,0|2,0,0]=4 2965 B14R1.14 N#CCSCCCc1ccc(cc1)F 62a_100011215382_200011713563 [0,1,1,0,0,0|2,0,0]=4 2966 B14R1.14 N#CCSCCCc1ccc(cc1)F 62a_200011713563_100011215382 [0,1,1,0,0,0|2,0,0]=4 2967 B14R1.14 O=CCNCCCc1ccc(cc1)Br 2230a_100011297623_200015260668 [0,1,1,0,0,0|1,0,1]=4 2968 B14R1.14 O=CCNCCCc1ccc(cc1)Br 34a_100011297623_200009817547 [0,1,1,0,0,0|1,0,1]=4 2969 B14R1.14 O=CCNCCCc1ccc(cc1)Cl 2230a_100000748451_200015260668 [0,1,1,0,0,0|1,0,1]=4 2970 B14R1.14 O=CCNCCCc1ccc(cc1)Cl 34a_100000748451_200009817547 [0,1,1,0,0,0|1,0,1]=4 2971 B14R1.14 O=CCNCCCc1ccc(cc1)F 2230a_100025745824_200015260668 [0,1,1,0,0,0|1,0,1]=4 2972 B14R1.14 O=CCNCCCc1ccc(cc1)F 34a_100025745824_200009817547 [0,1,1,0,0,0|1,0,1]=4 2973 B14R1.14 OCCNCCCc1ccc(cc1)Br 2230a_100011297623_100000211926 [0,1,1,0,0,0|1,0,1]=4 2974 B14R1.14 OCCNCCCc1ccc(cc1)Br 2230a_100016997473_100011713682 [0,1,1,0,0,0|1,0,1]=4 2975 B14R1.14 OCCNCCCc1ccc(cc1)Br 34a_100011297623_100000211926 [0,1,1,0,0,0|1,0,1]=4 2976 B14R1.14 OCCNCCCc1ccc(cc1)Br 34a_100016990907_100011713682 [0,1,1,0,0,0|1,0,1]=4 2977 B14R1.14 OCCNCCCc1ccc(cc1)Cl 2230a_100000748451_100000211926 [0,1,1,0,0,0|1,0,1]=4 2978 B14R1.14 OCCNCCCc1ccc(cc1)Cl 2230a_100016997473_100000759440 [0,1,1,0,0,0|1,0,1]=4 2979 B14R1.14 OCCNCCCc1ccc(cc1)Cl 34a_100000748451_100000211926 [0,1,1,0,0,0|1,0,1]=4 2980 B14R1.14 OCCNCCCc1ccc(cc1)Cl 34a_100016990907_100000759440 [0,1,1,0,0,0|1,0,1]=4 2981 B14R1.14 OCCNCCCc1ccc(cc1)F 2230a_100016997473_200011713563 [0,1,1,0,0,0|1,0,1]=4 2982 B14R1.14 OCCNCCCc1ccc(cc1)F 2230a_100025745824_100000211926 [0,1,1,0,0,0|1,0,1]=4 2983 B14R1.14 OCCNCCCc1ccc(cc1)F 34a_100016990907_200011713563 [0,1,1,0,0,0|1,0,1]=4 2984 B14R1.14 OCCNCCCc1ccc(cc1)F 34a_100025745824_100000211926 [0,1,1,0,0,0|1,0,1]=4 2985 B14R1.26 C#CCCCCNc1cccc(c1)Br 34a_100000210019_100010269958 [0,1,1,0,0,0|2,0,0]=4 2986 B14R1.26 C#CCCCCNc1cccc(c1)C 2230a_100000188690_100010269958 [0,1,1,0,0,0|2,0,0]=4 2987 B14R1.26 C#CCCCCNc1cccc(c1)C 34a_100000188690_100010269958 [0,1,1,0,0,0|2,0,0]=4 2988 B14R1.26 C#CCCCCNc1cccc(c1)Cl 34a_100000185859_100010269958 [0,1,1,0,0,0|2,0,0]=4 2989 B14R1.26 C#CCCCCNc1cccc(c1)F 34a_100000210047_100010269958 [0,1,1,0,0,0|2,0,0]=4 2990 B14R1.26 C#CCCCCNc1cccc(c1)I 34a_100000211102_100010269958 [0,1,1,0,0,0|2,0,0]=4 2991 B14R1.26 C#CCCCCNc1cccc(c1)O 34a_100000210217_100010269958 [0,1,1,0,0,0|2,0,0]=4 2992 B14R1.26 C#CCCCCOc1cccc(c1)Br 34a_100000210342_100010269958 [0,1,1,0,0,0|2,0,0]=4 2993 B14R1.26 C#CCCCCOc1cccc(c1)Br 7a_100000210342_100010269958 [0,1,1,0,0,0|2,0,0]=4 2994 B14R1.26 C#CCCCCOc1cccc(c1)C 34a_100000210337_100010269958 [0,1,1,0,0,0|2,0,0]=4 2995 B14R1.26 C#CCCCCOc1cccc(c1)C 7a_100000210337_100010269958 [0,1,1,0,0,0|2,0,0]=4 2996 B14R1.26 C#CCCCCOc1cccc(c1)Cl 34a_100000210295_100010269958 [0,1,1,0,0,0|2,0,0]=4 2997 B14R1.26 C#CCCCCOc1cccc(c1)Cl 7a_100000210295_100010269958 [0,1,1,0,0,0|2,0,0]=4 2998 B14R1.26 C#CCCCCOc1cccc(c1)F 34a_100000210426_100010269958 [0,1,1,0,0,0|2,0,0]=4 2999 B14R1.26 C#CCCCCOc1cccc(c1)F 7a_100000210426_100010269958 [0,1,1,0,0,0|2,0,0]=4 3000 B14R1.26 C#CCCCCOc1cccc(c1)I 34a_100000211634_100010269958 [0,1,1,0,0,0|2,0,0]=4 3001 B14R1.26 C#CCCCCOc1cccc(c1)I 7a_100000211634_100010269958 [0,1,1,0,0,0|2,0,0]=4 3002 B14R1.26 C#CCCCCOc1cccc(c1)N 34a_100000210217_100010269958 [0,1,1,0,0,0|2,0,0]=4 3003 B14R1.26 C#CCCCCSc1cccc(c1)Br 62a_100000691529_100010269958 [0,1,1,0,0,0|2,0,0]=4 3004 B14R1.26 C#CCCCCSc1cccc(c1)Br 62a_100010269958_100000691529 [0,1,1,0,0,0|2,0,0]=4 3005 B14R1.26 C#CCCCCSc1cccc(c1)C 62a_100010269958_100011215228 [0,1,1,0,0,0|2,0,0]=4 3006 B14R1.26 C#CCCCCSc1cccc(c1)C 62a_100011215228_100010269958 [0,1,1,0,0,0|2,0,0]=4 3007 B14R1.26 C#CCCCCSc1cccc(c1)Cl 62a_100000699651_100010269958 [0,1,1,0,0,0|2,0,0]=4 3008 B14R1.26 C#CCCCCSc1cccc(c1)Cl 62a_100010269958_100000699651 [0,1,1,0,0,0|2,0,0]=4 3009 B14R1.26 C#CCCCCSc1cccc(c1)F 62a_100000685547_100010269958 [0,1,1,0,0,0|2,0,0]=4 3010 B14R1.26 C#CCCCCSc1cccc(c1)F 62a_100010269958_100000685547 [0,1,1,0,0,0|2,0,0]=4 3011 B14R1.26 C#CCCCCSc1cccc(c1)N 62a_100000210019_100010269958 [0,1,1,0,0,0|2,0,0]=4 3012 B14R1.26 C#CCCCCSc1cccc(c1)N 62a_100010269958_100000210019 [0,1,1,0,0,0|2,0,0]=4 3013 B14R1.26 C#CCCCCSc1cccc(c1)O 62a_100010269958_100000211634 [0,1,1,0,0,0|2,0,0]=4 3014 B14R1.26 C#CCCCCSc1cccc(c1)[S] 62a_100010269958_114929384022 [0,1,1,0,0,0|2,0,0]=4 3015 B14R1.26 C#CCCCCSc1cccc(c1)[S] 62a_114929384022_100010269958 [0,1,1,0,0,0|2,0,0]=4 3016 B14R1.26 C#CCCCNCc1cccc(c1)Br 207a_100000718082_100000210085 [0,1,1,0,0,0|2,0,0]=4 3017 B14R1.26 C#CCCCNCc1cccc(c1)Br 2230a_100000174977_100000731252 [0,1,1,0,0,0|2,0,0]=4 3018 B14R1.26 C#CCCCNCc1cccc(c1)Br 270004a_100000718082_100000210085 [0,1,1,0,0,0|2,0,0]=4 3019 B14R1.26 C#CCCCNCc1cccc(c1)Br 34a_100000174977_100000695029 [0,1,1,0,0,0|2,0,0]=4 3020 B14R1.26 C#CCCCNCc1cccc(c1)Br 34a_100000718082_100000698116 [0,1,1,0,0,0|2,0,0]=4 3021 B14R1.26 C#CCCCNCc1cccc(c1)C 207a_100000718082_100000211157 [0,1,1,0,0,0|2,0,0]=4 3022 B14R1.26 C#CCCCNCc1cccc(c1)C 2230a_100000185548_100000731252 [0,1,1,0,0,0|2,0,0]=4 3023 B14R1.26 C#CCCCNCc1cccc(c1)C 270004a_100000718082_100000211157 [0,1,1,0,0,0|2,0,0]=4 3024 B14R1.26 C#CCCCNCc1cccc(c1)C 34a_100000185548_100000695029 [0,1,1,0,0,0|2,0,0]=4 3025 B14R1.26 C#CCCCNCc1cccc(c1)C 34a_100000718082_100000211840 [0,1,1,0,0,0|2,0,0]=4 3026 B14R1.26 C#CCCCNCc1cccc(c1)Cl 207a_100000718082_100000210801 [0,1,1,0,0,0|2,0,0]=4 3027 B14R1.26 C#CCCCNCc1cccc(c1)Cl 2230a_100000174878_100000731252 [0,1,1,0,0,0|2,0,0]=4 3028 B14R1.26 C#CCCCNCc1cccc(c1)Cl 270004a_100000718082_100000210801 [0,1,1,0,0,0|2,0,0]=4 3029 B14R1.26 C#CCCCNCc1cccc(c1)Cl 34a_100000174878_100000695029 [0,1,1,0,0,0|2,0,0]=4 3030 B14R1.26 C#CCCCNCc1cccc(c1)Cl 34a_100000718082_100000187163 [0,1,1,0,0,0|2,0,0]=4 3031 B14R1.26 C#CCCCNCc1cccc(c1)F 207a_100000718082_100000210812 [0,1,1,0,0,0|2,0,0]=4 3032 B14R1.26 C#CCCCNCc1cccc(c1)F 2230a_100000174948_100000731252 [0,1,1,0,0,0|2,0,0]=4 3033 B14R1.26 C#CCCCNCc1cccc(c1)F 270004a_100000718082_100000210812 [0,1,1,0,0,0|2,0,0]=4 3034 B14R1.26 C#CCCCNCc1cccc(c1)F 34a_100000174948_100000695029 [0,1,1,0,0,0|2,0,0]=4 3035 B14R1.26 C#CCCCNCc1cccc(c1)F 34a_100000718082_100000187166 [0,1,1,0,0,0|2,0,0]=4 3036 B14R1.26 C#CCCCNCc1cccc(c1)I 207a_100000718082_100000014684 [0,1,1,0,0,0|2,0,0]=4 3037 B14R1.26 C#CCCCNCc1cccc(c1)I 2230a_100000106179_100000731252 [0,1,1,0,0,0|2,0,0]=4 3038 B14R1.26 C#CCCCNCc1cccc(c1)I 270004a_100000718082_100000014684 [0,1,1,0,0,0|2,0,0]=4 3039 B14R1.26 C#CCCCNCc1cccc(c1)I 34a_100000106179_100000695029 [0,1,1,0,0,0|2,0,0]=4 3040 B14R1.26 C#CCCCNCc1cccc(c1)I 34a_100000718082_100011218688 [0,1,1,0,0,0|2,0,0]=4 3041 B14R1.26 C#CCCCNCc1cccc(c1)O 207a_100000718082_100000188321 [0,1,1,0,0,0|2,0,0]=4 3042 B14R1.26 C#CCCCNCc1cccc(c1)O 2230a_100000743036_100000731252 [0,1,1,0,0,0|2,0,0]=4 3043 B14R1.26 C#CCCCNCc1cccc(c1)O 270004a_100000718082_100000188321 [0,1,1,0,0,0|2,0,0]=4 3044 B14R1.26 C#CCCCNCc1cccc(c1)O 34a_100000718082_100011660834 [0,1,1,0,0,0|2,0,0]=4 3045 B14R1.26 C#CCCCNCc1cccc(c1)O 34a_100000743036_100000695029 [0,1,1,0,0,0|2,0,0]=4 3046 B14R1.26 C#CCCCOCc1cccc(c1)Br 34a_100000215630_100000698116 [0,1,1,0,0,0|2,0,0]=4 3047 B14R1.26 C#CCCCOCc1cccc(c1)Br 34a_100000687537_100000695029 [0,1,1,0,0,0|2,0,0]=4 3048 B14R1.26 C#CCCCOCc1cccc(c1)Br 7a_100000215630_100000211773 [0,1,1,0,0,0|2,0,0]=4 3049 B14R1.26 C#CCCCOCc1cccc(c1)Br 7a_100000687537_100011215417 [0,1,1,0,0,0|2,0,0]=4 3050 B14R1.26 C#CCCCOCc1cccc(c1)C 34a_100000215630_100000211840 [0,1,1,0,0,0|2,0,0]=4 3051 B14R1.26 C#CCCCOCc1cccc(c1)C 34a_100011217746_100000695029 [0,1,1,0,0,0|2,0,0]=4 3052 B14R1.26 C#CCCCOCc1cccc(c1)C 7a_100000215630_100000211840 [0,1,1,0,0,0|2,0,0]=4 3053 B14R1.26 C#CCCCOCc1cccc(c1)C 7a_100011217746_100011215417 [0,1,1,0,0,0|2,0,0]=4 3054 B14R1.26 C#CCCCOCc1cccc(c1)Cl 34a_100000215630_100000187163 [0,1,1,0,0,0|2,0,0]=4 3055 B14R1.26 C#CCCCOCc1cccc(c1)Cl 34a_100000241301_100000695029 [0,1,1,0,0,0|2,0,0]=4 3056 B14R1.26 C#CCCCOCc1cccc(c1)Cl 7a_100000215630_100000187163 [0,1,1,0,0,0|2,0,0]=4 3057 B14R1.26 C#CCCCOCc1cccc(c1)Cl 7a_100000241301_100011215417 [0,1,1,0,0,0|2,0,0]=4 3058 B14R1.26 C#CCCCOCc1cccc(c1)F 34a_100000210976_100000695029 [0,1,1,0,0,0|2,0,0]=4 3059 B14R1.26 C#CCCCOCc1cccc(c1)F 34a_100000215630_100000187166 [0,1,1,0,0,0|2,0,0]=4 3060 B14R1.26 C#CCCCOCc1cccc(c1)F 7a_100000210976_100011215417 [0,1,1,0,0,0|2,0,0]=4 3061 B14R1.26 C#CCCCOCc1cccc(c1)F 7a_100000215630_100000230114 [0,1,1,0,0,0|2,0,0]=4 3062 B14R1.26 C#CCCCOCc1cccc(c1)I 34a_100000215630_100011218688 [0,1,1,0,0,0|2,0,0]=4 3063 B14R1.26 C#CCCCOCc1cccc(c1)I 34a_100011215336_100000695029 [0,1,1,0,0,0|2,0,0]=4 3064 B14R1.26 C#CCCCOCc1cccc(c1)I 7a_100000215630_100011218688 [0,1,1,0,0,0|2,0,0]=4 3065 B14R1.26 C#CCCCOCc1cccc(c1)I 7a_100011215336_100011215417 [0,1,1,0,0,0|2,0,0]=4 3066 B14R1.26 C#CCCCOCc1cccc(c1)N 34a_100000211919_100000695029 [0,1,1,0,0,0|2,0,0]=4 3067 B14R1.26 C#CCCCOCc1cccc(c1)O 34a_100000215630_100011660834 [0,1,1,0,0,0|2,0,0]=4 3068 B14R1.26 C#CCCCOCc1cccc(c1)O 7a_100000215630_100000084143 [0,1,1,0,0,0|2,0,0]=4 3069 B14R1.26 C#CCCCSCc1cccc(c1)Br 62a_100000211773_100011215417 [0,1,1,0,0,0|2,0,0]=4 3070 B14R1.26 C#CCCCSCc1cccc(c1)Br 62a_100011215417_100000211773 [0,1,1,0,0,0|2,0,0]=4 3071 B14R1.26 C#CCCCSCc1cccc(c1)C 62a_100000211840_100011215417 [0,1,1,0,0,0|2,0,0]=4 3072 B14R1.26 C#CCCCSCc1cccc(c1)C 62a_100011215417_100000211840 [0,1,1,0,0,0|2,0,0]=4 3073 B14R1.26 C#CCCCSCc1cccc(c1)Cl 62a_100000187163_100011215417 [0,1,1,0,0,0|2,0,0]=4 3074 B14R1.26 C#CCCCSCc1cccc(c1)Cl 62a_100011215417_100000187163 [0,1,1,0,0,0|2,0,0]=4 3075 B14R1.26 C#CCCCSCc1cccc(c1)F 62a_100000230114_100011215417 [0,1,1,0,0,0|2,0,0]=4 3076 B14R1.26 C#CCCCSCc1cccc(c1)F 62a_100011215417_100000230114 [0,1,1,0,0,0|2,0,0]=4 3077 B14R1.26 C#CCCCSCc1cccc(c1)I 62a_100011215417_100011218688 [0,1,1,0,0,0|2,0,0]=4 3078 B14R1.26 C#CCCCSCc1cccc(c1)I 62a_100011218688_100011215417 [0,1,1,0,0,0|2,0,0]=4 3079 B14R1.26 C#CCCCSCc1cccc(c1)O 62a_100011215417_100011660834 [0,1,1,0,0,0|2,0,0]=4 3080 B14R1.26 C#CCCCSCc1cccc(c1)O 62a_100011660834_100011215417 [0,1,1,0,0,0|2,0,0]=4 3081 B14R1.26 C#CCCNCCc1cccc(c1)Br 2230a_100011207229_100000688953 [0,1,1,0,0,0|2,0,0]=4 3082 B14R1.26 C#CCCNCCc1cccc(c1)Br 34a_100000755551_100011740638 [0,1,1,0,0,0|2,0,0]=4 3083 B14R1.26 C#CCCNCCc1cccc(c1)Br 34a_100011207229_100000688953 [0,1,1,0,0,0|2,0,0]=4 3084 B14R1.26 C#CCCNCCc1cccc(c1)C 2230a_100000749837_100000688953 [0,1,1,0,0,0|2,0,0]=4 3085 B14R1.26 C#CCCNCCc1cccc(c1)C 34a_100000749837_100000688953 [0,1,1,0,0,0|2,0,0]=4 3086 B14R1.26 C#CCCNCCc1cccc(c1)C 34a_100000755551_100011713685 [0,1,1,0,0,0|2,0,0]=4 3087 B14R1.26 C#CCCNCCc1cccc(c1)Cl 2230a_100000185263_100000688953 [0,1,1,0,0,0|2,0,0]=4 3088 B14R1.26 C#CCCNCCc1cccc(c1)Cl 34a_100000185263_100000688953 [0,1,1,0,0,0|2,0,0]=4 3089 B14R1.26 C#CCCNCCc1cccc(c1)Cl 34a_100000755551_100011713710 [0,1,1,0,0,0|2,0,0]=4 3090 B14R1.26 C#CCCNCCc1cccc(c1)F 2230a_100000205154_100000688953 [0,1,1,0,0,0|2,0,0]=4 3091 B14R1.26 C#CCCNCCc1cccc(c1)F 34a_100000205154_100000688953 [0,1,1,0,0,0|2,0,0]=4 3092 B14R1.26 C#CCCNCCc1cccc(c1)F 34a_100000755551_100011217235 [0,1,1,0,0,0|2,0,0]=4 3093 B14R1.26 C#CCCNCCc1cccc(c1)O 2230a_100000747277_100000688953 [0,1,1,0,0,0|2,0,0]=4 3094 B14R1.26 C#CCCNCCc1cccc(c1)O 34a_100000747277_100000688953 [0,1,1,0,0,0|2,0,0]=4 3095 B14R1.26 C#CCCOCCc1cccc(c1)Br 34a_100011215631_100011740638 [0,1,1,0,0,0|2,0,0]=4 3096 B14R1.26 C#CCCOCCc1cccc(c1)Br 34a_100011217444_100000688953 [0,1,1,0,0,0|2,0,0]=4 3097 B14R1.26 C#CCCOCCc1cccc(c1)Br 7a_100011217444_100000688953 [0,1,1,0,0,0|2,0,0]=4 3098 B14R1.26 C#CCCOCCc1cccc(c1)C 34a_100011215631_100011713685 [0,1,1,0,0,0|2,0,0]=4 3099 B14R1.26 C#CCCOCCc1cccc(c1)C 34a_100011217157_100000688953 [0,1,1,0,0,0|2,0,0]=4 3100 B14R1.26 C#CCCOCCc1cccc(c1)C 7a_100011217157_100000688953 [0,1,1,0,0,0|2,0,0]=4 3101 B14R1.26 C#CCCOCCc1cccc(c1)Cl 34a_100000754733_100000688953 [0,1,1,0,0,0|2,0,0]=4 3102 B14R1.26 C#CCCOCCc1cccc(c1)Cl 34a_100011215631_100011713710 [0,1,1,0,0,0|2,0,0]=4 3103 B14R1.26 C#CCCOCCc1cccc(c1)Cl 7a_100000754733_100000688953 [0,1,1,0,0,0|2,0,0]=4 3104 B14R1.26 C#CCCOCCc1cccc(c1)F 34a_100000763591_100000688953 [0,1,1,0,0,0|2,0,0]=4 3105 B14R1.26 C#CCCOCCc1cccc(c1)F 34a_100011215631_100011217235 [0,1,1,0,0,0|2,0,0]=4 3106 B14R1.26 C#CCCOCCc1cccc(c1)F 7a_100000763591_100000688953 [0,1,1,0,0,0|2,0,0]=4 3107 B14R1.26 C#CCCOCCc1cccc(c1)N 34a_100011996697_100000688953 [0,1,1,0,0,0|2,0,0]=4 3108 B14R1.26 C#CCCSCCc1cccc(c1)Br 62a_100000688953_100011740638 [0,1,1,0,0,0|2,0,0]=4 3109 B14R1.26 C#CCCSCCc1cccc(c1)Br 62a_100011740638_100000688953 [0,1,1,0,0,0|2,0,0]=4 3110 B14R1.26 C#CCCSCCc1cccc(c1)C 62a_100000688953_100011713685 [0,1,1,0,0,0|2,0,0]=4 3111 B14R1.26 C#CCCSCCc1cccc(c1)C 62a_100011713685_100000688953 [0,1,1,0,0,0|2,0,0]=4 3112 B14R1.26 C#CCCSCCc1cccc(c1)Cl 62a_100000688953_100011713710 [0,1,1,0,0,0|2,0,0]=4 3113 B14R1.26 C#CCCSCCc1cccc(c1)Cl 62a_100011713710_100000688953 [0,1,1,0,0,0|2,0,0]=4 3114 B14R1.26 C#CCCSCCc1cccc(c1)F 62a_100000688953_100011217235 [0,1,1,0,0,0|2,0,0]=4 3115 B14R1.26 C#CCCSCCc1cccc(c1)F 62a_100011217235_100000688953 [0,1,1,0,0,0|2,0,0]=4 3116 B14R1.26 C#CCNCC#Cc1cccc(c1)Br 34a_100000212058_100010706776 [0,1,1,0,0,0|0,0,2]=4 3117 B14R1.26 C#CCNCC#Cc1cccc(c1)F 34a_100000212058_100010402994 [0,1,1,0,0,0|0,0,2]=4 3118 B14R1.26 C#CCNCCCc1cccc(c1)Br 2230a_100000753791_100000038162 [0,1,1,0,0,0|0,0,0]=2 3119 B14R1.26 C#CCNCCCc1cccc(c1)Br 34a_100000212058_100011713683 [0,1,1,0,0,0|0,0,0]=2 3120 B14R1.26 C#CCNCCCc1cccc(c1)Br 34a_100000753791_100000184674 [0,1,1,0,0,0|0,0,0]=2 3121 B14R1.26 C#CCNCCCc1cccc(c1)C 2230a_103496528808_100000038162 [0,1,1,0,0,0|0,0,0]=2 3122 B14R1.26 C#CCNCCCc1cccc(c1)C 34a_103496528808_100000184674 [0,1,1,0,0,0|0,0,0]=2 3123 B14R1.26 C#CCNCCCc1cccc(c1)Cl 2230a_100000704586_100000038162 [0,1,1,0,0,0|0,0,0]=2 3124 B14R1.26 C#CCNCCCc1cccc(c1)Cl 34a_100000704586_100000184674 [0,1,1,0,0,0|0,0,0]=2 3125 B14R1.26 C#CCNCCCc1cccc(c1)F 2230a_100000754185_100000038162 [0,1,1,0,0,0|0,0,0]=2 3126 B14R1.26 C#CCNCCCc1cccc(c1)F 34a_100000212058_200000698031 [0,1,1,0,0,0|0,0,0]=2 3127 B14R1.26 C#CCNCCCc1cccc(c1)F 34a_100000754185_100000184674 [0,1,1,0,0,0|0,0,0]=2 3128 B14R1.26 C#CCNCCOc1cccc(c1)Br 2230a_100000743521_100000038162 [0,1,1,0,0,0|1,0,0]=3 3129 B14R1.26 C#CCNCCOc1cccc(c1)Br 34a_100000212058_100000183150 [0,1,1,0,0,0|1,0,0]=3 3130 B14R1.26 C#CCNCCOc1cccc(c1)Br 34a_100000743521_100000184674 [0,1,1,0,0,0|1,0,0]=3 3131 B14R1.26 C#CCNCCOc1cccc(c1)C 2230a_100015185188_100000038162 [0,1,1,0,0,0|1,0,0]=3 3132 B14R1.26 C#CCNCCOc1cccc(c1)C 34a_100015185188_100000184674 [0,1,1,0,0,0|1,0,0]=3 3133 B14R1.26 C#CCNCCOc1cccc(c1)Cl 2230a_100000740232_100000038162 [0,1,1,0,0,0|1,0,0]=3 3134 B14R1.26 C#CCNCCOc1cccc(c1)Cl 34a_100000212058_100000181161 [0,1,1,0,0,0|1,0,0]=3 3135 B14R1.26 C#CCNCCOc1cccc(c1)Cl 34a_100000740232_100000184674 [0,1,1,0,0,0|1,0,0]=3 3136 B14R1.26 C#CCNCCOc1cccc(c1)F 2230a_100000738948_100000038162 [0,1,1,0,0,0|1,0,0]=3 3137 B14R1.26 C#CCNCCOc1cccc(c1)F 34a_100000212058_100000739188 [0,1,1,0,0,0|1,0,0]=3 3138 B14R1.26 C#CCNCCOc1cccc(c1)F 34a_100000738948_100000184674 [0,1,1,0,0,0|1,0,0]=3 3139 B14R1.26 C#CCOCCCc1cccc(c1)Br 34a_100000210247_100011713683 [0,1,1,0,0,0|1,0,0]=3 3140 B14R1.26 C#CCOCCCc1cccc(c1)Br 34a_100011709248_100000184674 [0,1,1,0,0,0|1,0,0]=3 3141 B14R1.26 C#CCOCCCc1cccc(c1)Br 7a_100011709248_100000038162 [0,1,1,0,0,0|1,0,0]=3 3142 B14R1.26 C#CCOCCCc1cccc(c1)Cl 34a_100011709246_100000184674 [0,1,1,0,0,0|1,0,0]=3 3143 B14R1.26 C#CCOCCCc1cccc(c1)Cl 7a_100011709246_100000038162 [0,1,1,0,0,0|1,0,0]=3 3144 B14R1.26 C#CCOCCCc1cccc(c1)F 34a_100000210247_200000698031 [0,1,1,0,0,0|1,0,0]=3 3145 B14R1.26 C#CCOCCCc1cccc(c1)N 34a_200000698965_100000184674 [0,1,1,0,0,0|1,0,0]=3 3146 B14R1.26 C#CCOCCCc1cccc(c1)N 7a_200000698965_100000038162 [0,1,1,0,0,0|1,0,0]=3 3147 B14R1.26 C#CCOCCCc1cccc(n1)C 34a_100000211354_100000184674 [0,1,1,0,0,0|2,0,0]=4 3148 B14R1.26 C#CCOCCNc1cccc(c1)Br 34a_100000210019_100010402529 [0,1,1,0,0,0|2,0,0]=4 3149 B14R1.26 C#CCOCCNc1cccc(c1)C 2230a_100000188690_100010402529 [0,1,1,0,0,0|2,0,0]=4 3150 B14R1.26 C#CCOCCNc1cccc(c1)C 34a_100000188690_100010402529 [0,1,1,0,0,0|2,0,0]=4 3151 B14R1.26 C#CCOCCNc1cccc(c1)Cl 34a_100000185859_100010402529 [0,1,1,0,0,0|2,0,0]=4 3152 B14R1.26 C#CCOCCNc1cccc(c1)F 34a_100000210047_100010402529 [0,1,1,0,0,0|2,0,0]=4 3153 B14R1.26 C#CCOCCNc1cccc(c1)I 34a_100000211102_100010402529 [0,1,1,0,0,0|2,0,0]=4 3154 B14R1.26 C#CCOCCNc1cccc(c1)O 34a_100000210217_100010402529 [0,1,1,0,0,0|2,0,0]=4 3155 B14R1.26 C#CCOCCOc1cccc(c1)Br 34a_100000210247_100000183150 [0,1,1,0,0,0|2,0,0]=4 3156 B14R1.26 C#CCOCCOc1cccc(c1)Br 34a_100000210342_100010402529 [0,1,1,0,0,0|2,0,0]=4 3157 B14R1.26 C#CCOCCOc1cccc(c1)Br 34a_100000757546_100000184674 [0,1,1,0,0,0|2,0,0]=4 3158 B14R1.26 C#CCOCCOc1cccc(c1)Br 7a_100000210342_100010402529 [0,1,1,0,0,0|2,0,0]=4 3159 B14R1.26 C#CCOCCOc1cccc(c1)Br 7a_100000757546_100000038162 [0,1,1,0,0,0|2,0,0]=4 3160 B14R1.26 C#CCOCCOc1cccc(c1)C 34a_100000210337_100010402529 [0,1,1,0,0,0|2,0,0]=4 3161 B14R1.26 C#CCOCCOc1cccc(c1)C 34a_200011215094_100000184674 [0,1,1,0,0,0|2,0,0]=4 3162 B14R1.26 C#CCOCCOc1cccc(c1)C 7a_100000210337_100010402529 [0,1,1,0,0,0|2,0,0]=4 3163 B14R1.26 C#CCOCCOc1cccc(c1)C 7a_200011215094_100000038162 [0,1,1,0,0,0|2,0,0]=4 3164 B14R1.26 C#CCOCCOc1cccc(c1)Cl 34a_100000210247_100000181161 [0,1,1,0,0,0|2,0,0]=4 3165 B14R1.26 C#CCOCCOc1cccc(c1)Cl 34a_100000210295_100010402529 [0,1,1,0,0,0|2,0,0]=4 3166 B14R1.26 C#CCOCCOc1cccc(c1)Cl 34a_100000230539_100000184674 [0,1,1,0,0,0|2,0,0]=4 3167 B14R1.26 C#CCOCCOc1cccc(c1)Cl 7a_100000210295_100010402529 [0,1,1,0,0,0|2,0,0]=4 3168 B14R1.26 C#CCOCCOc1cccc(c1)Cl 7a_100000230539_100000038162 [0,1,1,0,0,0|2,0,0]=4 3169 B14R1.26 C#CCOCCOc1cccc(c1)F 34a_100000210247_100000739188 [0,1,1,0,0,0|2,0,0]=4 3170 B14R1.26 C#CCOCCOc1cccc(c1)F 34a_100000210426_100010402529 [0,1,1,0,0,0|2,0,0]=4 3171 B14R1.26 C#CCOCCOc1cccc(c1)F 7a_100000210426_100010402529 [0,1,1,0,0,0|2,0,0]=4 3172 B14R1.26 C#CCOCCOc1cccc(c1)I 34a_100000211634_100010402529 [0,1,1,0,0,0|2,0,0]=4 3173 B14R1.26 C#CCOCCOc1cccc(c1)I 7a_100000211634_100010402529 [0,1,1,0,0,0|2,0,0]=4 3174 B14R1.26 C#CCOCCOc1cccc(c1)N 34a_100000210217_100010402529 [0,1,1,0,0,0|2,0,0]=4 3175 B14R1.26 C#CCOCCOc1cccc(c1)N 34a_100011232151_100000184674 [0,1,1,0,0,0|2,0,0]=4 3176 B14R1.26 C#CCOCCSc1cccc(c1)Br 62a_100000691529_100010402529 [0,1,1,0,0,0|2,0,0]=4 3177 B14R1.26 C#CCOCCSc1cccc(c1)Br 62a_100010402529_100000691529 [0,1,1,0,0,0|2,0,0]=4 3178 B14R1.26 C#CCOCCSc1cccc(c1)Br 7a_200011756134_100000038162 [0,1,1,0,0,0|2,0,0]=4 3179 B14R1.26 C#CCOCCSc1cccc(c1)C 34a_200011432187_100000184674 [0,1,1,0,0,0|2,0,0]=4 3180 B14R1.26 C#CCOCCSc1cccc(c1)C 62a_100010402529_100011215228 [0,1,1,0,0,0|2,0,0]=4 3181 B14R1.26 C#CCOCCSc1cccc(c1)C 62a_100011215228_100010402529 [0,1,1,0,0,0|2,0,0]=4 3182 B14R1.26 C#CCOCCSc1cccc(c1)C 7a_200011432187_100000038162 [0,1,1,0,0,0|2,0,0]=4 3183 B14R1.26 C#CCOCCSc1cccc(c1)Cl 34a_200011721761_100000184674 [0,1,1,0,0,0|2,0,0]=4 3184 B14R1.26 C#CCOCCSc1cccc(c1)Cl 62a_100000699651_100010402529 [0,1,1,0,0,0|2,0,0]=4 3185 B14R1.26 C#CCOCCSc1cccc(c1)Cl 62a_100010402529_100000699651 [0,1,1,0,0,0|2,0,0]=4 3186 B14R1.26 C#CCOCCSc1cccc(c1)Cl 7a_200011721761_100000038162 [0,1,1,0,0,0|2,0,0]=4 3187 B14R1.26 C#CCOCCSc1cccc(c1)F 34a_200011996949_100000184674 [0,1,1,0,0,0|2,0,0]=4 3188 B14R1.26 C#CCOCCSc1cccc(c1)F 62a_100000685547_100010402529 [0,1,1,0,0,0|2,0,0]=4 3189 B14R1.26 C#CCOCCSc1cccc(c1)F 62a_100010402529_100000685547 [0,1,1,0,0,0|2,0,0]=4 3190 B14R1.26 C#CCOCCSc1cccc(c1)F 7a_200011996949_100000038162 [0,1,1,0,0,0|2,0,0]=4 3191 B14R1.26 C#CCOCCSc1cccc(c1)N 62a_100000210019_100010402529 [0,1,1,0,0,0|2,0,0]=4 3192 B14R1.26 C#CCOCCSc1cccc(c1)N 62a_100010402529_100000210019 [0,1,1,0,0,0|2,0,0]=4 3193 B14R1.26 C#CCOCCSc1cccc(c1)O 62a_100010402529_100000211634 [0,1,1,0,0,0|2,0,0]=4 3194 B14R1.26 C#CCOCCSc1cccc(c1)[S] 62a_100010402529_114929384022 [0,1,1,0,0,0|2,0,0]=4 3195 B14R1.26 C#CCOCCSc1cccc(c1)[S] 62a_114929384022_100010402529 [0,1,1,0,0,0|2,0,0]=4 3196 B14R1.26 C#CCSCCCc1cccc(c1)Br 62a_100000038162_100011713683 [0,1,1,0,0,0|1,0,0]=3 3197 B14R1.26 C#CCSCCCc1cccc(c1)F 62a_100000038162_200000698031 [0,1,1,0,0,0|1,0,0]=3 3198 B14R1.26 C#CCSCCOc1cccc(c1)Br 62a_100000038162_100000183150 [0,1,1,0,0,0|2,0,0]=4 3199 B14R1.26 C#CCSCCOc1cccc(c1)Cl 62a_100000038162_100000181161 [0,1,1,0,0,0|2,0,0]=4 3200 B14R1.26 C#CCSCCOc1cccc(c1)F 62a_100000038162_100000739188 [0,1,1,0,0,0|2,0,0]=4 3201 B14R1.26 C=CCNCCCc1cccc(c1)Br 2230a_100000753791_100000210623 [0,1,1,0,0,0|0,0,2]=4 3202 B14R1.26 C=CCNCCCc1cccc(c1)Br 2230a_100020586998_100011713683 [0,1,1,0,0,0|0,0,2]=4 3203 B14R1.26 C=CCNCCCc1cccc(c1)Br 34a_100000753791_100015514636 [0,1,1,0,0,0|0,0,2]=4 3204 B14R1.26 C=CCNCCCc1cccc(c1)C 2230a_103496528808_100000210623 [0,1,1,0,0,0|0,0,2]=4 3205 B14R1.26 C=CCNCCCc1cccc(c1)C 34a_103496528808_100015514636 [0,1,1,0,0,0|0,0,2]=4 3206 B14R1.26 C=CCNCCCc1cccc(c1)Cl 2230a_100000704586_100000210623 [0,1,1,0,0,0|0,0,2]=4 3207 B14R1.26 C=CCNCCCc1cccc(c1)Cl 34a_100000704586_100015514636 [0,1,1,0,0,0|0,0,2]=4 3208 B14R1.26 C=CCNCCCc1cccc(c1)F 2230a_100000754185_100000210623 [0,1,1,0,0,0|0,0,2]=4 3209 B14R1.26 C=CCNCCCc1cccc(c1)F 2230a_100020586998_200000698031 [0,1,1,0,0,0|0,0,2]=4 3210 B14R1.26 C=CCNCCCc1cccc(c1)F 34a_100000754185_100015514636 [0,1,1,0,0,0|0,0,2]=4 3211 B14R1.26 CCCNCCCc1cccc(c1)Br 2230a_100000753791_100000210303 [0,1,1,0,0,0|0,0,2]=4 3212 B14R1.26 CCCNCCCc1cccc(c1)Br 34a_100000753791_100000210303 [0,1,1,0,0,0|0,0,2]=4 3213 B14R1.26 CCCNCCCc1cccc(c1)C 2230a_103496528808_100000210303 [0,1,1,0,0,0|0,0,2]=4 3214 B14R1.26 CCCNCCCc1cccc(c1)C 34a_103496528808_100000210303 [0,1,1,0,0,0|0,0,2]=4 3215 B14R1.26 CCCNCCCc1cccc(c1)Cl 2230a_100000704586_100000210303 [0,1,1,0,0,0|0,0,2]=4 3216 B14R1.26 CCCNCCCc1cccc(c1)Cl 34a_100000704586_100000210303 [0,1,1,0,0,0|0,0,2]=4 3217 B14R1.26 CCCNCCCc1cccc(c1)F 2230a_100000754185_100000210303 [0,1,1,0,0,0|0,0,2]=4 3218 B14R1.26 CCCNCCCc1cccc(c1)F 34a_100000754185_100000210303 [0,1,1,0,0,0|0,0,2]=4 3219 B14R1.26 COCNCCCc1cccc(c1)Br 2230a_100000753791_100000766300 [0,1,1,0,0,0|1,0,1]=4 3220 B14R1.26 COCNCCCc1cccc(c1)C 2230a_103496528808_100000766300 [0,1,1,0,0,0|1,0,1]=4 3221 B14R1.26 COCNCCCc1cccc(c1)Cl 2230a_100000704586_100000766300 [0,1,1,0,0,0|1,0,1]=4 3222 B14R1.26 COCNCCCc1cccc(c1)F 2230a_100000754185_100000766300 [0,1,1,0,0,0|1,0,1]=4 3223 B14R1.26 CSCNCCCc1cccc(c1)Br 2230a_100000753791_100011218213 [0,1,1,0,0,0|1,0,1]=4 3224 B14R1.26 CSCNCCCc1cccc(c1)Br 34a_100000753791_100011218213 [0,1,1,0,0,0|1,0,1]=4 3225 B14R1.26 CSCNCCCc1cccc(c1)C 2230a_103496528808_100011218213 [0,1,1,0,0,0|1,0,1]=4 3226 B14R1.26 CSCNCCCc1cccc(c1)C 34a_103496528808_100011218213 [0,1,1,0,0,0|1,0,1]=4 3227 B14R1.26 CSCNCCCc1cccc(c1)Cl 2230a_100000704586_100011218213 [0,1,1,0,0,0|1,0,1]=4 3228 B14R1.26 CSCNCCCc1cccc(c1)Cl 34a_100000704586_100011218213 [0,1,1,0,0,0|1,0,1]=4 3229 B14R1.26 CSCNCCCc1cccc(c1)F 2230a_100000754185_100011218213 [0,1,1,0,0,0|1,0,1]=4 3230 B14R1.26 CSCNCCCc1cccc(c1)F 34a_100000754185_100011218213 [0,1,1,0,0,0|1,0,1]=4 3231 B14R1.26 Cc1cccc(c1)CCCNCC#N 2230a_103496528808_100011215382 [0,1,1,0,0,0|1,0,0]=3 3232 B14R1.26 Cc1cccc(c1)CCCNCC=O 2230a_103496528808_200015260668 [0,1,1,0,0,0|1,0,1]=4 3233 B14R1.26 Cc1cccc(c1)CCCNCC=O 34a_103496528808_200009817547 [0,1,1,0,0,0|1,0,1]=4 3234 B14R1.26 Cc1cccc(c1)CCCNCCF 2230a_103496528808_100011217306 [0,1,1,0,0,0|1,0,1]=4 3235 B14R1.26 Cc1cccc(c1)CCCNCCF 34a_103496528808_100011217306 [0,1,1,0,0,0|1,0,1]=4 3236 B14R1.26 Cc1cccc(c1)CCCNCCO 2230a_103496528808_100000211926 [0,1,1,0,0,0|1,0,1]=4 3237 B14R1.26 Cc1cccc(c1)CCCNCCO 34a_103496528808_100000211926 [0,1,1,0,0,0|1,0,1]=4 3238 B14R1.26 Cc1cccc(c1)OCCNCC#N 2230a_100015185188_100011215382 [0,1,1,0,0,0|2,0,0]=4 3239 B14R1.26 FCCNCCCc1cccc(c1)Br 2230a_100000753791_100011217306 [0,1,1,0,0,0|1,0,1]=4 3240 B14R1.26 FCCNCCCc1cccc(c1)Br 34a_100000724931_100011713683 [0,1,1,0,0,0|1,0,1]=4 3241 B14R1.26 FCCNCCCc1cccc(c1)Br 34a_100000753791_100011217306 [0,1,1,0,0,0|1,0,1]=4 3242 B14R1.26 FCCNCCCc1cccc(c1)Cl 2230a_100000704586_100011217306 [0,1,1,0,0,0|1,0,1]=4 3243 B14R1.26 FCCNCCCc1cccc(c1)Cl 34a_100000704586_100011217306 [0,1,1,0,0,0|1,0,1]=4 3244 B14R1.26 FCCNCCCc1cccc(c1)F 2230a_100000754185_100011217306 [0,1,1,0,0,0|1,0,1]=4 3245 B14R1.26 FCCNCCCc1cccc(c1)F 34a_100000724931_200000698031 [0,1,1,0,0,0|1,0,1]=4 3246 B14R1.26 FCCNCCCc1cccc(c1)F 34a_100000754185_100011217306 [0,1,1,0,0,0|1,0,1]=4 3247 B14R1.26 N#CCNCCCc1cccc(c1)Br 2230a_100000753791_100011215382 [0,1,1,0,0,0|1,0,0]=3 3248 B14R1.26 N#CCNCCCc1cccc(c1)Cl 2230a_100000704586_100011215382 [0,1,1,0,0,0|1,0,0]=3 3249 B14R1.26 N#CCNCCCc1cccc(c1)F 2230a_100000754185_100011215382 [0,1,1,0,0,0|1,0,0]=3 3250 B14R1.26 N#CCNCCOc1cccc(c1)Br 2230a_100000743521_100011215382 [0,1,1,0,0,0|2,0,0]=4 3251 B14R1.26 N#CCNCCOc1cccc(c1)Cl 2230a_100000740232_100011215382 [0,1,1,0,0,0|2,0,0]=4 3252 B14R1.26 N#CCNCCOc1cccc(c1)F 2230a_100000738948_100011215382 [0,1,1,0,0,0|2,0,0]=4 3253 B14R1.26 N#CCOCCCc1cccc(c1)Br 7a_100011709248_100011215382 [0,1,1,0,0,0|2,0,0]=4 3254 B14R1.26 N#CCOCCCc1cccc(c1)Cl 7a_100011709246_100011215382 [0,1,1,0,0,0|2,0,0]=4 3255 B14R1.26 N#CCOCCCc1cccc(c1)N 7a_200000698965_100011215382 [0,1,1,0,0,0|2,0,0]=4 3256 B14R1.26 N#CCSCCCc1cccc(c1)Br 62a_100011215382_100011713683 [0,1,1,0,0,0|2,0,0]=4 3257 B14R1.26 N#CCSCCCc1cccc(c1)Br 62a_100011713683_100011215382 [0,1,1,0,0,0|2,0,0]=4 3258 B14R1.26 N#CCSCCCc1cccc(c1)F 62a_100011215382_200000698031 [0,1,1,0,0,0|2,0,0]=4 3259 B14R1.26 N#CCSCCCc1cccc(c1)F 62a_200000698031_100011215382 [0,1,1,0,0,0|2,0,0]=4 3260 B14R1.26 O=CCNCCCc1cccc(c1)Br 2230a_100000753791_200015260668 [0,1,1,0,0,0|1,0,1]=4 3261 B14R1.26 O=CCNCCCc1cccc(c1)Br 34a_100000753791_200009817547 [0,1,1,0,0,0|1,0,1]=4 3262 B14R1.26 O=CCNCCCc1cccc(c1)Cl 2230a_100000704586_200015260668 [0,1,1,0,0,0|1,0,1]=4 3263 B14R1.26 O=CCNCCCc1cccc(c1)Cl 34a_100000704586_200009817547 [0,1,1,0,0,0|1,0,1]=4 3264 B14R1.26 O=CCNCCCc1cccc(c1)F 2230a_100000754185_200015260668 [0,1,1,0,0,0|1,0,1]=4 3265 B14R1.26 O=CCNCCCc1cccc(c1)F 34a_100000754185_200009817547 [0,1,1,0,0,0|1,0,1]=4 3266 B14R1.26 OCCNCCCc1cccc(c1)Br 2230a_100000753791_100000211926 [0,1,1,0,0,0|1,0,1]=4 3267 B14R1.26 OCCNCCCc1cccc(c1)Br 2230a_100016997473_100011713683 [0,1,1,0,0,0|1,0,1]=4 3268 B14R1.26 OCCNCCCc1cccc(c1)Br 34a_100000753791_100000211926 [0,1,1,0,0,0|1,0,1]=4 3269 B14R1.26 OCCNCCCc1cccc(c1)Br 34a_100016990907_100011713683 [0,1,1,0,0,0|1,0,1]=4 3270 B14R1.26 OCCNCCCc1cccc(c1)Cl 2230a_100000704586_100000211926 [0,1,1,0,0,0|1,0,1]=4 3271 B14R1.26 OCCNCCCc1cccc(c1)Cl 34a_100000704586_100000211926 [0,1,1,0,0,0|1,0,1]=4 3272 B14R1.26 OCCNCCCc1cccc(c1)F 2230a_100000754185_100000211926 [0,1,1,0,0,0|1,0,1]=4 3273 B14R1.26 OCCNCCCc1cccc(c1)F 2230a_100016997473_200000698031 [0,1,1,0,0,0|1,0,1]=4 3274 B14R1.26 OCCNCCCc1cccc(c1)F 34a_100000754185_100000211926 [0,1,1,0,0,0|1,0,1]=4 3275 B14R1.26 OCCNCCCc1cccc(c1)F 34a_100016990907_200000698031 [0,1,1,0,0,0|1,0,1]=4 3276 B14R1.38 C#CCCCCC(=O)c1ccccc1 1458a_100000185807_100010269958 [0,1,1,0,0,0|1,0,1]=4 3277 B14R1.38 C#CCCCCN(C)c1ccccc1 2230a_100000210012_100010269958 [0,1,1,0,0,0|2,0,0]=4 3278 B14R1.38 C#CCCCCN(C)c1ccccc1 269982a_100000210012_100010269958 [0,1,1,0,0,0|2,0,0]=4 3279 B14R1.38 C#CCCCCN(C)c1ccccc1 34a_100000210012_100010269958 [0,1,1,0,0,0|2,0,0]=4 3280 B14R1.38 C#CCCCNC(C)c1ccccc1 34a_100000718082_100000211855 [0,1,1,0,0,0|2,0,0]=4 3281 B14R1.38 C#CCCCN[C@H](C)c1ccccc1 2230a_100000751104_100000731252 [0,1,1,0,0,0|2,0,0]=4 3282 B14R1.38 C#CCCCOC(C)c1ccccc1 34a_100000215630_100000211855 [0,1,1,0,0,0|2,0,0]=4 3283 B14R1.38 C#CCCCOC(C)c1ccccc1 7a_100000215630_100000230085 [0,1,1,0,0,0|2,0,0]=4 3284 B14R1.38 C#CCCCO[C@H](C)c1ccccc1 34a_100000761318_100000695029 [0,1,1,0,0,0|2,0,0]=4 3285 B14R1.38 C#CCCCO[C@H](C)c1ccccc1 7a_100000761318_100011215417 [0,1,1,0,0,0|2,0,0]=4 3286 B14R1.38 C#CCCCSC(C)c1ccccc1 62a_100000230085_100011215417 [0,1,1,0,0,0|2,0,0]=4 3287 B14R1.38 C#CCCCSC(C)c1ccccc1 62a_100011215417_100000230085 [0,1,1,0,0,0|2,0,0]=4 3288 B14R1.38 C#CCCNCC(C)c1ccccc1 2230a_100000701038_100000688953 [0,1,1,0,0,0|2,0,0]=4 3289 B14R1.38 C#CCCNCC(C)c1ccccc1 34a_100000701038_100000688953 [0,1,1,0,0,0|2,0,0]=4 3290 B14R1.38 C#CCCNCC(C)c1ccccc1 34a_100000755551_100000756946 [0,1,1,0,0,0|2,0,0]=4 3291 B14R1.38 C#CCCNCC(O)c1ccccc1 2230a_100000210709_100000688953 [0,1,1,0,0,0|2,0,0]=4 3292 B14R1.38 C#CCCNCC(O)c1ccccc1 34a_100000755551_100000185958 [0,1,1,0,0,0|2,0,0]=4 3293 B14R1.38 C#CCCNC[C@@H](O)c1ccccc1 34a_100000755551_100011933945 [0,1,1,0,0,0|2,0,0]=4 3294 B14R1.38 C#CCCOCC(C)c1ccccc1 34a_100011215166_100000688953 [0,1,1,0,0,0|2,0,0]=4 3295 B14R1.38 C#CCCOCC(C)c1ccccc1 34a_100011215631_100000756946 [0,1,1,0,0,0|2,0,0]=4 3296 B14R1.38 C#CCCOCC(C)c1ccccc1 7a_100011215166_100000688953 [0,1,1,0,0,0|2,0,0]=4 3297 B14R1.38 C#CCCOCC(O)c1ccccc1 34a_100011215631_100000185958 [0,1,1,0,0,0|2,0,0]=4 3298 B14R1.38 C#CCCOC[C@@H](N)c1ccccc1 34a_100000751927_100000688953 [0,1,1,0,0,0|2,0,0]=4 3299 B14R1.38 C#CCCOC[C@@H](O)c1ccccc1 34a_100011215631_100011933945 [0,1,1,0,0,0|2,0,0]=4 3300 B14R1.38 C#CCCSCC(C)c1ccccc1 62a_100000688953_100000756946 [0,1,1,0,0,0|2,0,0]=4 3301 B14R1.38 C#CCCSCC(C)c1ccccc1 62a_100000756946_100000688953 [0,1,1,0,0,0|2,0,0]=4 3302 B14R1.38 C#CCCSCC(O)c1ccccc1 62a_100000185958_100000688953 [0,1,1,0,0,0|2,0,0]=4 3303 B14R1.38 C#CCCSCC(O)c1ccccc1 62a_100000688953_100000185958 [0,1,1,0,0,0|2,0,0]=4 3304 B14R1.38 C#CCCSC[C@@H](O)c1ccccc1 62a_100000688953_100011933945 [0,1,1,0,0,0|2,0,0]=4 3305 B14R1.38 C#CCCSC[C@@H](O)c1ccccc1 62a_100011933945_100000688953 [0,1,1,0,0,0|2,0,0]=4 3306 B14R1.38 C#CCNCCC(O)c1ccccc1 2230a_100000763605_100000038162 [0,1,1,0,0,0|0,0,0]=2 3307 B14R1.38 C#CCNCC[C@@H](O)c1ccccc1 34a_100000212058_100000729684 [0,1,1,0,0,0|0,0,0]=2 3308 B14R1.38 C#CCOCCC(=O)c1ccccc1 1458a_100000185807_100010402529 [0,1,1,0,0,0|1,0,1]=4 3309 B14R1.38 C#CCOCCN(C)c1ccccc1 2230a_100000210012_100010402529 [0,1,1,0,0,0|2,0,0]=4 3310 B14R1.38 C#CCOCCN(C)c1ccccc1 34a_100000210012_100010402529 [0,1,1,0,0,0|2,0,0]=4 3311 B14R1.38 C#CCOCC[C@@H](O)c1ccccc1 34a_100000210247_100000729684 [0,1,1,0,0,0|1,0,0]=3 3312 B14R1.38 C#CCOCC[C@H](N)c1ccccc1 34a_100025705951_100000184674 [0,1,1,0,0,0|1,0,0]=3 3313 B14R1.38 C#CCSCCC(=O)c1ccccc1 62a_100000038162_100000750707 [0,1,1,0,0,0|1,0,1]=4 3314 B14R1.38 C#CCSCCS(=O)c1ccccc1 62a_100000038162_100000740319 [0,1,1,0,0,0|2,0,0]=4 3315 B14R1.38 C#CCSCC[C@@H](O)c1ccccc1 62a_100000038162_100000729684 [0,1,1,0,0,0|1,0,0]=3 3316 B14R1.38 C=CCNCCC(C)c1ccccc1 270004a_100020586998_100000189432 [0,1,1,0,0,0|0,0,2]=4 3317 B14R1.38 C=CCNCCC(O)c1ccccc1 2230a_100000763605_100000210623 [0,1,1,0,0,0|0,0,2]=4 3318 B14R1.38 C=CCNCC[C@@H](O)c1ccccc1 2230a_100020586998_100000729684 [0,1,1,0,0,0|0,0,2]=4 3319 B14R1.38 CC(CCNCCO)c1ccccc1 270004a_100000210304_100000189432 [0,1,1,0,0,0|1,0,1]=4 3320 B14R1.38 CCCNCCC(C)c1ccccc1 270004a_100020643023_100000189432 [0,1,1,0,0,0|0,0,2]=4 3321 B14R1.38 CCCNCCC(O)c1ccccc1 2230a_100000763605_100000210303 [0,1,1,0,0,0|0,0,2]=4 3322 B14R1.38 COCNCCC(O)c1ccccc1 2230a_100000763605_100000766300 [0,1,1,0,0,0|1,0,1]=4 3323 B14R1.38 CSCNCCC(O)c1ccccc1 2230a_100000763605_100011218213 [0,1,1,0,0,0|1,0,1]=4 3324 B14R1.38 N#CCNCCC(O)c1ccccc1 2230a_100000763605_100011215382 [0,1,1,0,0,0|1,0,0]=3 3325 B14R1.38 N#CCSCC[C@@H](O)c1ccccc1 62a_100000729684_100011215382 [0,1,1,0,0,0|2,0,0]=4 3326 B14R1.38 N#CCSCC[C@@H](O)c1ccccc1 62a_100011215382_100000729684 [0,1,1,0,0,0|2,0,0]=4 3327 B14R1.38 O=CCNCCC(O)c1ccccc1 2230a_100000763605_200015260668 [0,1,1,0,0,0|1,0,1]=4 3328 B14R1.38 OC(CCNCCF)c1ccccc1 2230a_100000763605_100011217306 [0,1,1,0,0,0|1,0,1]=4 3329 B14R1.38 OCCNCCC(O)c1ccccc1 2230a_100000763605_100000211926 [0,1,1,0,0,0|1,0,1]=4 3330 B14R1.38 OCCNCC[C@@H](O)c1ccccc1 2230a_100016997473_100000729684 [0,1,1,0,0,0|1,0,1]=4 3331 B14R1.38 OCCNCC[C@@H](O)c1ccccc1 34a_100016990907_100000729684 [0,1,1,0,0,0|1,0,1]=4 3332 B14R1.38 O[C@H](CCNCCF)c1ccccc1 34a_100000724931_100000729684 [0,1,1,0,0,0|1,0,1]=4 3333 B14R1.123 C#CCCCCCNc1ccccc1 34a_100000106764_100012094781 [0,1,1,0,0,0|1,0,0]=3 3334 B14R1.123 C#CCCCCCOc1ccccc1 34a_100000210340_100012094781 [0,1,1,0,0,0|1,0,0]=3 3335 B14R1.123 C#CCCCCCOc1ccccc1 7a_100000210340_100012094781 [0,1,1,0,0,0|1,0,0]=3 3336 B14R1.123 C#CCCCCCOc1cccnc1 34a_100000210849_100012094781 [0,1,1,0,0,0|2,0,0]=4 3337 B14R1.123 C#CCCCCCOc1cccnc1 7a_100000210849_100012094781 [0,1,1,0,0,0|2,0,0]=4 3338 B14R1.123 C#CCCCCCOc1ccncc1 34a_100000212176_100012094781 [0,1,1,0,0,0|2,0,0]=4 3339 B14R1.123 C#CCCCCCSc1ccccc1 62a_100000719477_100012094781 [0,1,1,0,0,0|1,0,0]=3 3340 B14R1.123 C#CCCCCCSc1ccccc1 62a_100012094781_100000041952 [0,1,1,0,0,0|1,0,0]=3 3341 B14R1.123 C#CCCCCCSc1ccccn1 62a_100011216584_100012094781 [0,1,1,0,0,0|2,0,0]=4 3342 B14R1.123 C#CCCCCCSc1ccccn1 62a_100012094781_100011216584 [0,1,1,0,0,0|2,0,0]=4 3343 B14R1.123 C#CCCCCCSc1cccnc1 62a_100000210063_100012094781 [0,1,1,0,0,0|2,0,0]=4 3344 B14R1.123 C#CCCCCCSc1cccnc1 62a_100012094781_100000210063 [0,1,1,0,0,0|2,0,0]=4 3345 B14R1.123 C#CCCCCCSc1ccncc1 62a_100000728582_100012094781 [0,1,1,0,0,0|2,0,0]=4 3346 B14R1.123 C#CCCCCCSc1ccncc1 62a_100012094781_100000728582 [0,1,1,0,0,0|2,0,0]=4 3347 B14R1.123 C#CCCCCNCc1ccccc1 207a_100000706060_100015611070 [0,1,1,0,0,0|1,0,0]=3 3348 B14R1.123 C#CCCCCNCc1ccccc1 2230a_100000706060_100015291786 [0,1,1,0,0,0|1,0,0]=3 3349 B14R1.123 C#CCCCCNCc1ccccc1 2230a_100015324214_100010269958 [0,1,1,0,0,0|1,0,0]=3 3350 B14R1.123 C#CCCCCNCc1ccccc1 34a_100000706060_100015291786 [0,1,1,0,0,0|1,0,0]=3 3351 B14R1.123 C#CCCCCNCc1ccccc1 34a_100015324214_100010269958 [0,1,1,0,0,0|1,0,0]=3 3352 B14R1.123 C#CCCCCNCc1ccccn1 207a_100000706060_100000209966 [0,1,1,0,0,0|2,0,0]=4 3353 B14R1.123 C#CCCCCNCc1ccccn1 2230a_100000706060_100000721315 [0,1,1,0,0,0|2,0,0]=4 3354 B14R1.123 C#CCCCCNCc1ccccn1 34a_100000706060_100000721315 [0,1,1,0,0,0|2,0,0]=4 3355 B14R1.123 C#CCCCCNCc1cccnc1 207a_100000706060_100000209961 [0,1,1,0,0,0|2,0,0]=4 3356 B14R1.123 C#CCCCCNCc1cccnc1 2230a_100000706060_100000741622 [0,1,1,0,0,0|2,0,0]=4 3357 B14R1.123 C#CCCCCNCc1cccnc1 34a_100000706060_100000733263 [0,1,1,0,0,0|2,0,0]=4 3358 B14R1.123 C#CCCCCNCc1ccncc1 207a_100000706060_100000186114 [0,1,1,0,0,0|2,0,0]=4 3359 B14R1.123 C#CCCCCNCc1ccncc1 2230a_100000706060_100015193705 [0,1,1,0,0,0|2,0,0]=4 3360 B14R1.123 C#CCCCCOCc1ccccc1 34a_100000210790_100010269958 [0,1,1,0,0,0|1,0,0]=3 3361 B14R1.123 C#CCCCCOCc1ccccc1 34a_100000766709_100015291786 [0,1,1,0,0,0|1,0,0]=3 3362 B14R1.123 C#CCCCCOCc1ccccc1 7a_100000210790_100010269958 [0,1,1,0,0,0|1,0,0]=3 3363 B14R1.123 C#CCCCCOCc1ccccc1 7a_100000766709_100000211182 [0,1,1,0,0,0|1,0,0]=3 3364 B14R1.123 C#CCCCCOCc1ccccn1 34a_100000766709_100000721315 [0,1,1,0,0,0|2,0,0]=4 3365 B14R1.123 C#CCCCCOCc1ccccn1 7a_100000766709_100000721315 [0,1,1,0,0,0|2,0,0]=4 3366 B14R1.123 C#CCCCCOCc1cccnc1 34a_100000766709_100000733263 [0,1,1,0,0,0|2,0,0]=4 3367 B14R1.123 C#CCCCCOCc1cccnc1 7a_100000766709_100000741622 [0,1,1,0,0,0|2,0,0]=4 3368 B14R1.123 C#CCCCCOCc1ccncc1 7a_100000766709_100015193705 [0,1,1,0,0,0|2,0,0]=4 3369 B14R1.123 C#CCCCCSCc1ccccc1 62a_100000211182_100010269958 [0,1,1,0,0,0|1,0,0]=3 3370 B14R1.123 C#CCCCCSCc1ccccc1 62a_100010269958_100015291786 [0,1,1,0,0,0|1,0,0]=3 3371 B14R1.123 C#CCCCCSCc1ccccn1 62a_100000721315_100010269958 [0,1,1,0,0,0|2,0,0]=4 3372 B14R1.123 C#CCCCCSCc1ccccn1 62a_100010269958_100000721315 [0,1,1,0,0,0|2,0,0]=4 3373 B14R1.123 C#CCCCCSCc1cccnc1 62a_100000741622_100010269958 [0,1,1,0,0,0|2,0,0]=4 3374 B14R1.123 C#CCCCCSCc1cccnc1 62a_100010269958_100000741622 [0,1,1,0,0,0|2,0,0]=4 3375 B14R1.123 C#CCCCCSCc1ccncc1 62a_100010269958_100015193705 [0,1,1,0,0,0|2,0,0]=4 3376 B14R1.123 C#CCCCCSCc1ccncc1 62a_100015193705_100010269958 [0,1,1,0,0,0|2,0,0]=4 3377 B14R1.123 C#CCCCNCCc1ccccc1 2230a_100000106460_100000731252 [0,1,1,0,0,0|1,0,0]=3 3378 B14R1.123 C#CCCCNCCc1ccccc1 34a_100000106460_100000695029 [0,1,1,0,0,0|1,0,0]=3 3379 B14R1.123 C#CCCCNCCc1ccccc1 34a_100000718082_100000765856 [0,1,1,0,0,0|1,0,0]=3 3380 B14R1.123 C#CCCCNCCc1cccnc1 2230a_100000736294_100000731252 [0,1,1,0,0,0|2,0,0]=4 3381 B14R1.123 C#CCCCOCCc1ccccc1 34a_100000210268_100000695029 [0,1,1,0,0,0|1,0,0]=3 3382 B14R1.123 C#CCCCOCCc1ccccc1 34a_100000215630_100000765856 [0,1,1,0,0,0|1,0,0]=3 3383 B14R1.123 C#CCCCOCCc1ccccc1 7a_100000210268_100011215417 [0,1,1,0,0,0|1,0,0]=3 3384 B14R1.123 C#CCCCOCCc1ccccc1 7a_100000215630_100000765856 [0,1,1,0,0,0|1,0,0]=3 3385 B14R1.123 C#CCCCOCCc1ccccn1 34a_100000210271_100000695029 [0,1,1,0,0,0|2,0,0]=4 3386 B14R1.123 C#CCCCOCCc1ccccn1 7a_100000215630_100015183660 [0,1,1,0,0,0|2,0,0]=4 3387 B14R1.123 C#CCCCOCCc1cccnc1 34a_100011217484_100000695029 [0,1,1,0,0,0|2,0,0]=4 3388 B14R1.123 C#CCCCOCCc1cccnc1 7a_100000215630_200011713674 [0,1,1,0,0,0|2,0,0]=4 3389 B14R1.123 C#CCCCOCCc1ccncc1 34a_100011216225_100000695029 [0,1,1,0,0,0|2,0,0]=4 3390 B14R1.123 C#CCCCOCCc1ccncc1 7a_100000215630_100000723409 [0,1,1,0,0,0|2,0,0]=4 3391 B14R1.123 C#CCCCSCCc1ccccc1 62a_100000765856_100011215417 [0,1,1,0,0,0|1,0,0]=3 3392 B14R1.123 C#CCCCSCCc1ccccc1 62a_100011215417_100011218657 [0,1,1,0,0,0|1,0,0]=3 3393 B14R1.123 C#CCCCSCCc1ccccn1 62a_100011215417_100015183660 [0,1,1,0,0,0|2,0,0]=4 3394 B14R1.123 C#CCCCSCCc1ccccn1 62a_100015183660_100011215417 [0,1,1,0,0,0|2,0,0]=4 3395 B14R1.123 C#CCCCSCCc1cccnc1 62a_100011215417_200011713674 [0,1,1,0,0,0|2,0,0]=4 3396 B14R1.123 C#CCCCSCCc1cccnc1 62a_200011713674_100011215417 [0,1,1,0,0,0|2,0,0]=4 3397 B14R1.123 C#CCCCSCCc1ccncc1 62a_100000723409_100011215417 [0,1,1,0,0,0|2,0,0]=4 3398 B14R1.123 C#CCCCSCCc1ccncc1 62a_100011215417_100000723409 [0,1,1,0,0,0|2,0,0]=4 3399 B14R1.123 C#CCCCSCSc1ccccc1 62a_100011215417_100011218342 [0,1,1,0,0,0|2,0,0]=4 3400 B14R1.123 C#CCCCSCSc1ccccc1 62a_100011218342_100011215417 [0,1,1,0,0,0|2,0,0]=4 3401 B14R1.123 C#CCCNC/C=C/c1ccccc1 2230a_100020603302_100000688953 [0,1,1,0,0,0|0,0,2]=4 3402 B14R1.123 C#CCCNC/C=C/c1ccccc1 34a_100000755551_100016265936 [0,1,1,0,0,0|0,0,2]=4 3403 B14R1.123 C#CCCNC/C=C/c1ccccc1 34a_100020603302_100000688953 [0,1,1,0,0,0|0,0,2]=4 3404 B14R1.123 C#CCCNCC#Cc1ccccc1 34a_100000735379_100000688953 [0,1,1,0,0,0|0,0,2]=4 3405 B14R1.123 C#CCCNCC#Cc1ccccc1 34a_100000755551_100011352542 [0,1,1,0,0,0|0,0,2]=4 3406 B14R1.123 C#CCCNCCCc1ccccc1 2230a_100000211184_100000688953 [0,1,1,0,0,0|0,0,0]=2 3407 B14R1.123 C#CCCNCCCc1ccccc1 34a_100000211184_100000688953 [0,1,1,0,0,0|0,0,0]=2 3408 B14R1.123 C#CCCNCCCc1ccccc1 34a_100000755551_100000211621 [0,1,1,0,0,0|0,0,0]=2 3409 B14R1.123 C#CCCNCCCc1cccnc1 2230a_100011532358_100000688953 [0,1,1,0,0,0|1,0,0]=3 3410 B14R1.123 C#CCCNCCCc1cccnc1 34a_100011532358_100000688953 [0,1,1,0,0,0|1,0,0]=3 3411 B14R1.123 C#CCCNCCCc1ccncc1 2230a_100011275580_100000688953 [0,1,1,0,0,0|1,0,0]=3 3412 B14R1.123 C#CCCNCCOc1ccccc1 2230a_100000174943_100000688953 [0,1,1,0,0,0|1,0,0]=3 3413 B14R1.123 C#CCCNCCOc1ccccc1 34a_100000174943_100000688953 [0,1,1,0,0,0|1,0,0]=3 3414 B14R1.123 C#CCCNCCOc1ccccc1 34a_100000755551_100000184471 [0,1,1,0,0,0|1,0,0]=3 3415 B14R1.123 C#CCCNCCOc1ccccn1 2230a_106741647558_100000688953 [0,1,1,0,0,0|2,0,0]=4 3416 B14R1.123 C#CCCNCCOc1cccnc1 2230a_100000754688_100000688953 [0,1,1,0,0,0|2,0,0]=4 3417 B14R1.123 C#CCCNCCSc1ccccc1 2230a_100000189519_100000688953 [0,1,1,0,0,0|1,0,0]=3 3418 B14R1.123 C#CCCNCCSc1ccccc1 34a_100000755551_100000246102 [0,1,1,0,0,0|1,0,0]=3 3419 B14R1.123 C#CCCNCOCc1ccccc1 34a_100000755551_100000763385 [0,1,1,0,0,0|1,0,0]=3 3420 B14R1.123 C#CCCNCSCc1ccccc1 34a_100000755551_200011217039 [0,1,1,0,0,0|1,0,0]=3 3421 B14R1.123 C#CCCOCCCc1ccccc1 34a_100000210828_100000688953 [0,1,1,0,0,0|1,0,0]=3 3422 B14R1.123 C#CCCOCCCc1ccccc1 34a_100011215631_100000211621 [0,1,1,0,0,0|1,0,0]=3 3423 B14R1.123 C#CCCOCCCc1ccccc1 7a_100000210828_100000688953 [0,1,1,0,0,0|1,0,0]=3 3424 B14R1.123 C#CCCOCCCc1ccccn1 34a_100011215068_100000688953 [0,1,1,0,0,0|2,0,0]=4 3425 B14R1.123 C#CCCOCCCc1cccnc1 34a_100000211284_100000688953 [0,1,1,0,0,0|2,0,0]=4 3426 B14R1.123 C#CCCOCCCc1ccncc1 34a_100000210659_100000688953 [0,1,1,0,0,0|2,0,0]=4 3427 B14R1.123 C#CCCOCCNc1ccccc1 34a_100000211345_100000688953 [0,1,1,0,0,0|2,0,0]=4 3428 B14R1.123 C#CCCOCCOc1ccccc1 34a_100000210260_100000688953 [0,1,1,0,0,0|2,0,0]=4 3429 B14R1.123 C#CCCOCCOc1ccccc1 34a_100011215631_100000184471 [0,1,1,0,0,0|2,0,0]=4 3430 B14R1.123 C#CCCOCCOc1ccccc1 7a_100000210260_100000688953 [0,1,1,0,0,0|2,0,0]=4 3431 B14R1.123 C#CCCOCCSc1ccccc1 34a_100011215631_100000246102 [0,1,1,0,0,0|2,0,0]=4 3432 B14R1.123 C#CCCOCCSc1ccccc1 7a_100000230494_100000688953 [0,1,1,0,0,0|2,0,0]=4 3433 B14R1.123 C#CCCOCOCc1ccccc1 34a_100011215631_100000763385 [0,1,1,0,0,0|2,0,0]=4 3434 B14R1.123 C#CCCOCSCc1ccccc1 34a_100011215631_200011217039 [0,1,1,0,0,0|2,0,0]=4 3435 B14R1.123 C#CCCSCCCc1ccccc1 62a_100000211621_100000688953 [0,1,1,0,0,0|1,0,0]=3 3436 B14R1.123 C#CCCSCCCc1ccccc1 62a_100000688953_100000211621 [0,1,1,0,0,0|1,0,0]=3 3437 B14R1.123 C#CCCSCCOc1ccccc1 62a_100000184471_100000688953 [0,1,1,0,0,0|2,0,0]=4 3438 B14R1.123 C#CCCSCCOc1ccccc1 62a_100000688953_100000184471 [0,1,1,0,0,0|2,0,0]=4 3439 B14R1.123 C#CCCSCCSc1ccccc1 62a_100000246102_100000688953 [0,1,1,0,0,0|2,0,0]=4 3440 B14R1.123 C#CCCSCCSc1ccccc1 62a_100000688953_100000246102 [0,1,1,0,0,0|2,0,0]=4 3441 B14R1.123 C#CCCSCOCc1ccccc1 62a_100000688953_100000763385 [0,1,1,0,0,0|2,0,0]=4 3442 B14R1.123 C#CCCSCOCc1ccccc1 62a_100000763385_100000688953 [0,1,1,0,0,0|2,0,0]=4 3443 B14R1.123 C#CCCSCSCc1ccccc1 62a_100000688953_200011217039 [0,1,1,0,0,0|2,0,0]=4 3444 B14R1.123 C#CCCSCSCc1ccccc1 62a_200011217039_100000688953 [0,1,1,0,0,0|2,0,0]=4 3445 B14R1.123 C#CCNCCCCc1ccccc1 2230a_100015280158_100000038162 [0,1,1,0,0,0|0,0,0]=2 3446 B14R1.123 C#CCNCCCCc1ccccc1 34a_100000212058_100000701786 [0,1,1,0,0,0|0,0,0]=2 3447 B14R1.123 C#CCNCCCCc1ccccc1 34a_100015280158_100000184674 [0,1,1,0,0,0|0,0,0]=2 3448 B14R1.123 C#CCNCCCOc1ccccc1 2230a_100000216521_100000038162 [0,1,1,0,0,0|0,0,0]=2 3449 B14R1.123 C#CCNCCCOc1ccccc1 34a_100000212058_100000199009 [0,1,1,0,0,0|0,0,0]=2 3450 B14R1.123 C#CCNCCCOc1ccccc1 34a_100000216521_100000184674 [0,1,1,0,0,0|0,0,0]=2 3451 B14R1.123 C#CCNCCCSc1ccccc1 2230a_100000184639_100000038162 [0,1,1,0,0,0|0,0,0]=2 3452 B14R1.123 C#CCNCCCSc1ccccc1 34a_100000212058_200011203293 [0,1,1,0,0,0|0,0,0]=2 3453 B14R1.123 C#CCNCCOCc1ccccc1 2230a_100000753106_100000038162 [0,1,1,0,0,0|0,0,0]=2 3454 B14R1.123 C#CCNCCOCc1ccccc1 34a_100000212058_100000234347 [0,1,1,0,0,0|0,0,0]=2 3455 B14R1.123 C#CCNCCOCc1ccccc1 34a_100000753106_100000184674 [0,1,1,0,0,0|0,0,0]=2 3456 B14R1.123 C#CCNCCSCc1ccccc1 2230a_100000189534_100000038162 [0,1,1,0,0,0|0,0,0]=2 3457 B14R1.123 C#CCNCCSCc1ccccc1 34a_100000189534_100000184674 [0,1,1,0,0,0|0,0,0]=2 3458 B14R1.123 C#CCNCCSCc1ccccc1 34a_100000212058_200011297719 [0,1,1,0,0,0|0,0,0]=2 3459 B14R1.123 C#CCNCCSCc1ccccc1 7a_100000189534_100000038162 [0,1,1,0,0,0|0,0,0]=2 3460 B14R1.123 C#CCNCCSSc1ccccn1 2230a_100016995281_100000038162 [0,1,1,0,0,0|2,0,0]=4 3461 B14R1.123 C#CCNCCSSc1ccccn1 7a_100016995281_100000038162 [0,1,1,0,0,0|2,0,0]=4 3462 B14R1.123 C#CCOCCC#Cc1ccccc1 34a_100000760064_100000184674 [0,1,1,0,0,0|1,0,1]=4 3463 B14R1.123 C#CCOCCC#Cc1ccccc1 7a_100000760064_100000038162 [0,1,1,0,0,0|1,0,1]=4 3464 B14R1.123 C#CCOCCCCc1ccccc1 34a_100000210247_100000701786 [0,1,1,0,0,0|1,0,0]=3 3465 B14R1.123 C#CCOCCCCc1ccccc1 34a_100000703073_100000184674 [0,1,1,0,0,0|1,0,0]=3 3466 B14R1.123 C#CCOCCCCc1ccccc1 7a_100000703073_100000038162 [0,1,1,0,0,0|1,0,0]=3 3467 B14R1.123 C#CCOCCCCc1ccccn1 34a_100012186994_100000184674 [0,1,1,0,0,0|2,0,0]=4 3468 B14R1.123 C#CCOCCCCc1cccnc1 34a_100012039607_100000184674 [0,1,1,0,0,0|2,0,0]=4 3469 B14R1.123 C#CCOCCCCc1cccnc1 7a_100012039607_100000038162 [0,1,1,0,0,0|2,0,0]=4 3470 B14R1.123 C#CCOCCCCc1ccncc1 34a_100011787716_100000184674 [0,1,1,0,0,0|2,0,0]=4 3471 B14R1.123 C#CCOCCCNc1ccccc1 34a_100000212590_100000184674 [0,1,1,0,0,0|1,0,0]=3 3472 B14R1.123 C#CCOCCCOc1ccccc1 34a_100000210247_100000199009 [0,1,1,0,0,0|1,0,0]=3 3473 B14R1.123 C#CCOCCCOc1ccccc1 34a_100011215863_100000184674 [0,1,1,0,0,0|1,0,0]=3 3474 B14R1.123 C#CCOCCCOc1ccccc1 7a_100011215863_100000038162 [0,1,1,0,0,0|1,0,0]=3 3475 B14R1.123 C#CCOCCCSc1ccccc1 34a_100000210247_200011203293 [0,1,1,0,0,0|1,0,0]=3 3476 B14R1.123 C#CCOCCNCc1ccccc1 2230a_100000700922_100015291786 [0,1,1,0,0,0|1,0,0]=3 3477 B14R1.123 C#CCOCCNCc1ccccc1 2230a_100015324214_100010402529 [0,1,1,0,0,0|1,0,0]=3 3478 B14R1.123 C#CCOCCNCc1ccccc1 34a_100000180844_100000184674 [0,1,1,0,0,0|1,0,0]=3 3479 B14R1.123 C#CCOCCNCc1ccccc1 34a_100000700922_100015291786 [0,1,1,0,0,0|1,0,0]=3 3480 B14R1.123 C#CCOCCNCc1ccccc1 34a_100015324214_100010402529 [0,1,1,0,0,0|1,0,0]=3 3481 B14R1.123 C#CCOCCNCc1ccccn1 2230a_100000700922_100000721315 [0,1,1,0,0,0|2,0,0]=4 3482 B14R1.123 C#CCOCCNCc1ccccn1 34a_100000700922_100000721315 [0,1,1,0,0,0|2,0,0]=4 3483 B14R1.123 C#CCOCCNCc1cccnc1 2230a_100000700922_100000741622 [0,1,1,0,0,0|2,0,0]=4 3484 B14R1.123 C#CCOCCNCc1cccnc1 34a_100000700922_100000733263 [0,1,1,0,0,0|2,0,0]=4 3485 B14R1.123 C#CCOCCNCc1ccncc1 2230a_100000700922_100015193705 [0,1,1,0,0,0|2,0,0]=4 3486 B14R1.123 C#CCOCCOCc1ccccc1 34a_100000054580_100015291786 [0,1,1,0,0,0|1,0,0]=3 3487 B14R1.123 C#CCOCCOCc1ccccc1 34a_100000210247_100000234347 [0,1,1,0,0,0|1,0,0]=3 3488 B14R1.123 C#CCOCCOCc1ccccc1 34a_100000210790_100010402529 [0,1,1,0,0,0|1,0,0]=3 3489 B14R1.123 C#CCOCCOCc1ccccc1 34a_100000759325_100000184674 [0,1,1,0,0,0|1,0,0]=3 3490 B14R1.123 C#CCOCCOCc1ccccc1 7a_100000054580_100000211182 [0,1,1,0,0,0|1,0,0]=3 3491 B14R1.123 C#CCOCCOCc1ccccc1 7a_100000210790_100010402529 [0,1,1,0,0,0|1,0,0]=3 3492 B14R1.123 C#CCOCCOCc1ccccc1 7a_100000759325_100000038162 [0,1,1,0,0,0|1,0,0]=3 3493 B14R1.123 C#CCOCCOCc1ccccn1 34a_100000054580_100000721315 [0,1,1,0,0,0|2,0,0]=4 3494 B14R1.123 C#CCOCCOCc1ccccn1 7a_100000054580_100000721315 [0,1,1,0,0,0|2,0,0]=4 3495 B14R1.123 C#CCOCCOCc1cccnc1 34a_100000054580_100000733263 [0,1,1,0,0,0|2,0,0]=4 3496 B14R1.123 C#CCOCCOCc1cccnc1 7a_100000054580_100000741622 [0,1,1,0,0,0|2,0,0]=4 3497 B14R1.123 C#CCOCCOCc1ccncc1 7a_100000054580_100015193705 [0,1,1,0,0,0|2,0,0]=4 3498 B14R1.123 C#CCOCCSCc1ccccc1 34a_100000210247_200011297719 [0,1,1,0,0,0|1,0,0]=3 3499 B14R1.123 C#CCOCCSCc1ccccc1 34a_100011205989_100000184674 [0,1,1,0,0,0|1,0,0]=3 3500 B14R1.123 C#CCOCCSCc1ccccc1 62a_100000211182_100010402529 [0,1,1,0,0,0|1,0,0]=3 3501 B14R1.123 C#CCOCCSCc1ccccc1 62a_100010402529_100015291786 [0,1,1,0,0,0|1,0,0]=3 3502 B14R1.123 C#CCOCCSCc1ccccc1 7a_100011205989_100000038162 [0,1,1,0,0,0|1,0,0]=3 3503 B14R1.123 C#CCOCCSCc1ccccn1 62a_100000721315_100010402529 [0,1,1,0,0,0|2,0,0]=4 3504 B14R1.123 C#CCOCCSCc1ccccn1 62a_100010402529_100000721315 [0,1,1,0,0,0|2,0,0]=4 3505 B14R1.123 C#CCOCCSCc1cccnc1 62a_100000741622_100010402529 [0,1,1,0,0,0|2,0,0]=4 3506 B14R1.123 C#CCOCCSCc1cccnc1 62a_100010402529_100000741622 [0,1,1,0,0,0|2,0,0]=4 3507 B14R1.123 C#CCOCCSCc1ccncc1 62a_100010402529_100015193705 [0,1,1,0,0,0|2,0,0]=4 3508 B14R1.123 C#CCOCCSCc1ccncc1 62a_100015193705_100010402529 [0,1,1,0,0,0|2,0,0]=4 3509 B14R1.123 C#CCSCCCCc1ccccc1 62a_100000038162_100000701786 [0,1,1,0,0,0|1,0,0]=3 3510 B14R1.123 C#CCSCCCCc1ccncc1 62a_100000038162_100020630000 [0,1,1,0,0,0|2,0,0]=4 3511 B14R1.123 C#CCSCCCOc1ccccc1 62a_100000038162_100000199009 [0,1,1,0,0,0|1,0,0]=3 3512 B14R1.123 C#CCSCCCSc1ccccc1 62a_100000038162_200011203293 [0,1,1,0,0,0|1,0,0]=3 3513 B14R1.123 C#CCSCCOCc1ccccc1 62a_100000038162_100000234347 [0,1,1,0,0,0|1,0,0]=3 3514 B14R1.123 C#CCSCCSCc1ccccc1 62a_100000038162_200011297719 [0,1,1,0,0,0|1,0,0]=3 3515 B14R1.123 C/C=C/CNCCCc1ccccc1 34a_100000211184_100102629194 [0,1,1,0,0,0|0,0,2]=4 3516 B14R1.123 C=CCCNCCCc1ccccc1 2230a_100000211184_100000754431 [0,1,1,0,0,0|0,0,2]=4 3517 B14R1.123 C=CCCNCCCc1ccccc1 2230a_100015191253_100000211621 [0,1,1,0,0,0|0,0,2]=4 3518 B14R1.123 C=CCCNCCCc1ccccc1 34a_100000211184_100000754431 [0,1,1,0,0,0|0,0,2]=4 3519 B14R1.123 C=CCNCCCCc1ccccc1 2230a_100015280158_100000210623 [0,1,1,0,0,0|0,0,2]=4 3520 B14R1.123 C=CCNCCCCc1ccccc1 2230a_100020586998_100000701786 [0,1,1,0,0,0|0,0,2]=4 3521 B14R1.123 C=CCNCCCCc1ccccc1 34a_100015280158_100015514636 [0,1,1,0,0,0|0,0,2]=4 3522 B14R1.123 C=CCNCCCOc1ccccc1 2230a_100000216521_100000210623 [0,1,1,0,0,0|0,0,2]=4 3523 B14R1.123 C=CCNCCCOc1ccccc1 2230a_100020586998_100000199009 [0,1,1,0,0,0|0,0,2]=4 3524 B14R1.123 C=CCNCCCOc1ccccc1 34a_100000216521_100015514636 [0,1,1,0,0,0|0,0,2]=4 3525 B14R1.123 C=CCNCCCSc1ccccc1 2230a_100000184639_100000210623 [0,1,1,0,0,0|0,0,2]=4 3526 B14R1.123 C=CCNCCCSc1ccccc1 2230a_100020586998_200011203293 [0,1,1,0,0,0|0,0,2]=4 3527 B14R1.123 C=CCNCCOCc1ccccc1 2230a_100000753106_100000210623 [0,1,1,0,0,0|0,0,2]=4 3528 B14R1.123 C=CCNCCOCc1ccccc1 2230a_100020586998_100000234347 [0,1,1,0,0,0|0,0,2]=4 3529 B14R1.123 C=CCNCCOCc1ccccc1 34a_100000753106_100015514636 [0,1,1,0,0,0|0,0,2]=4 3530 B14R1.123 C=CCNCCSCc1ccccc1 2230a_100000189534_100000210623 [0,1,1,0,0,0|0,0,2]=4 3531 B14R1.123 C=CCNCCSCc1ccccc1 2230a_100020586998_200011297719 [0,1,1,0,0,0|0,0,2]=4 3532 B14R1.123 C=CCNCCSCc1ccccc1 34a_100000189534_100015514636 [0,1,1,0,0,0|0,0,2]=4 3533 B14R1.123 C=CCNCCSCc1ccccc1 7a_100000189534_100015514636 [0,1,1,0,0,0|0,0,2]=4 3534 B14R1.123 CC#CCCOCCc1ccccc1 34a_100000750427_100000765856 [0,1,1,0,0,0|2,0,0]=4 3535 B14R1.123 CC#CCNC/C=C/c1ccccc1 2230a_100000685387_100016265936 [0,1,1,0,0,0|0,0,2]=4 3536 B14R1.123 CC#CCNC/C=C/c1ccccc1 2230a_100020603302_100000748600 [0,1,1,0,0,0|0,0,2]=4 3537 B14R1.123 CC#CCNC/C=C/c1ccccc1 34a_100000685387_100016265936 [0,1,1,0,0,0|0,0,2]=4 3538 B14R1.123 CC#CCNC/C=C/c1ccccc1 34a_100020603302_100000748600 [0,1,1,0,0,0|0,0,2]=4 3539 B14R1.123 CC#CCNCC#Cc1ccccc1 2230a_100000685387_100011352542 [0,1,1,0,0,0|0,0,2]=4 3540 B14R1.123 CC#CCNCC#Cc1ccccc1 34a_100000685387_100011352542 [0,1,1,0,0,0|0,0,2]=4 3541 B14R1.123 CC#CCNCC#Cc1ccccc1 34a_100000735379_100000748600 [0,1,1,0,0,0|0,0,2]=4 3542 B14R1.123 CC#CCNCCCc1ccccc1 2230a_100000211184_100000748600 [0,1,1,0,0,0|0,0,0]=2 3543 B14R1.123 CC#CCNCCCc1ccccc1 2230a_100000685387_100000211621 [0,1,1,0,0,0|0,0,0]=2 3544 B14R1.123 CC#CCNCCCc1ccccc1 34a_100000211184_100000748600 [0,1,1,0,0,0|0,0,0]=2 3545 B14R1.123 CC#CCNCCCc1ccccc1 34a_100000685387_100000211621 [0,1,1,0,0,0|0,0,0]=2 3546 B14R1.123 CC#CCNCCCc1cccnc1 2230a_100011532358_100000748600 [0,1,1,0,0,0|1,0,0]=3 3547 B14R1.123 CC#CCNCCCc1cccnc1 34a_100011532358_100000748600 [0,1,1,0,0,0|1,0,0]=3 3548 B14R1.123 CC#CCNCCCc1ccncc1 2230a_100011275580_100000748600 [0,1,1,0,0,0|1,0,0]=3 3549 B14R1.123 CC#CCNCCOc1ccccc1 2230a_100000174943_100000748600 [0,1,1,0,0,0|1,0,0]=3 3550 B14R1.123 CC#CCNCCOc1ccccc1 2230a_100000685387_100000184471 [0,1,1,0,0,0|1,0,0]=3 3551 B14R1.123 CC#CCNCCOc1ccccc1 34a_100000174943_100000748600 [0,1,1,0,0,0|1,0,0]=3 3552 B14R1.123 CC#CCNCCOc1ccccc1 34a_100000685387_100000184471 [0,1,1,0,0,0|1,0,0]=3 3553 B14R1.123 CC#CCNCCOc1ccccn1 2230a_106741647558_100000748600 [0,1,1,0,0,0|2,0,0]=4 3554 B14R1.123 CC#CCNCCOc1cccnc1 2230a_100000754688_100000748600 [0,1,1,0,0,0|2,0,0]=4 3555 B14R1.123 CC#CCNCCSc1ccccc1 2230a_100000189519_100000748600 [0,1,1,0,0,0|1,0,0]=3 3556 B14R1.123 CC#CCNCCSc1ccccc1 2230a_100000685387_100000246102 [0,1,1,0,0,0|1,0,0]=3 3557 B14R1.123 CC#CCNCCSc1ccccc1 34a_100000685387_100000246102 [0,1,1,0,0,0|1,0,0]=3 3558 B14R1.123 CC#CCNCOCc1ccccc1 2230a_100000685387_100000763385 [0,1,1,0,0,0|1,0,0]=3 3559 B14R1.123 CC#CCNCOCc1ccccc1 34a_100000685387_100000763385 [0,1,1,0,0,0|1,0,0]=3 3560 B14R1.123 CC#CCNCSCc1ccccc1 2230a_100000685387_200011217039 [0,1,1,0,0,0|1,0,0]=3 3561 B14R1.123 CC#CCNCSCc1ccccc1 34a_100000685387_200011217039 [0,1,1,0,0,0|1,0,0]=3 3562 B14R1.123 CC#CCOCCCc1ccccc1 34a_100000210828_100000748600 [0,1,1,0,0,0|1,0,0]=3 3563 B14R1.123 CC#CCOCCCc1ccccc1 34a_100000761923_100000211621 [0,1,1,0,0,0|1,0,0]=3 3564 B14R1.123 CC#CCOCCCc1ccccc1 7a_100000210828_100000748600 [0,1,1,0,0,0|1,0,0]=3 3565 B14R1.123 CC#CCOCCCc1ccccn1 34a_100011215068_100000748600 [0,1,1,0,0,0|2,0,0]=4 3566 B14R1.123 CC#CCOCCCc1cccnc1 34a_100000211284_100000748600 [0,1,1,0,0,0|2,0,0]=4 3567 B14R1.123 CC#CCOCCCc1ccncc1 34a_100000210659_100000748600 [0,1,1,0,0,0|2,0,0]=4 3568 B14R1.123 CC#CCOCCNc1ccccc1 34a_100000211345_100000748600 [0,1,1,0,0,0|2,0,0]=4 3569 B14R1.123 CC#CCOCCOc1ccccc1 34a_100000210260_100000748600 [0,1,1,0,0,0|2,0,0]=4 3570 B14R1.123 CC#CCOCCOc1ccccc1 34a_100000761923_100000184471 [0,1,1,0,0,0|2,0,0]=4 3571 B14R1.123 CC#CCOCCOc1ccccc1 7a_100000210260_100000748600 [0,1,1,0,0,0|2,0,0]=4 3572 B14R1.123 CC#CCOCCSc1ccccc1 34a_100000761923_100000246102 [0,1,1,0,0,0|2,0,0]=4 3573 B14R1.123 CC#CCOCCSc1ccccc1 7a_100000230494_100000748600 [0,1,1,0,0,0|2,0,0]=4 3574 B14R1.123 CC#CCOCOCc1ccccc1 34a_100000761923_100000763385 [0,1,1,0,0,0|2,0,0]=4 3575 B14R1.123 CC#CCOCSCc1ccccc1 34a_100000761923_200011217039 [0,1,1,0,0,0|2,0,0]=4 3576 B14R1.123 CC#CCSCCCc1ccccc1 62a_100000211621_100000748600 [0,1,1,0,0,0|1,0,0]=3 3577 B14R1.123 CC#CCSCCCc1ccccc1 62a_100000748600_100000211621 [0,1,1,0,0,0|1,0,0]=3 3578 B14R1.123 CC#CCSCCOc1ccccc1 62a_100000184471_100000748600 [0,1,1,0,0,0|2,0,0]=4 3579 B14R1.123 CC#CCSCCOc1ccccc1 62a_100000748600_100000184471 [0,1,1,0,0,0|2,0,0]=4 3580 B14R1.123 CC#CCSCCSc1ccccc1 62a_100000246102_100000748600 [0,1,1,0,0,0|2,0,0]=4 3581 B14R1.123 CC#CCSCCSc1ccccc1 62a_100000748600_100000246102 [0,1,1,0,0,0|2,0,0]=4 3582 B14R1.123 CC#CCSCOCc1ccccc1 62a_100000748600_100000763385 [0,1,1,0,0,0|2,0,0]=4 3583 B14R1.123 CC#CCSCOCc1ccccc1 62a_100000763385_100000748600 [0,1,1,0,0,0|2,0,0]=4 3584 B14R1.123 CC#CCSCSCc1ccccc1 62a_100000748600_200011217039 [0,1,1,0,0,0|2,0,0]=4 3585 B14R1.123 CC#CCSCSCc1ccccc1 62a_200011217039_100000748600 [0,1,1,0,0,0|2,0,0]=4 3586 B14R1.123 CC=CCNCCCc1ccccc1 2230a_100000211184_100000070051 [0,1,1,0,0,0|0,0,2]=4 3587 B14R1.123 CC=CCNCCCc1ccccc1 34a_100000211184_100000070051 [0,1,1,0,0,0|0,0,2]=4 3588 B14R1.123 CCCCNCCCc1ccccc1 2230a_100000102301_100000211621 [0,1,1,0,0,0|0,0,2]=4 3589 B14R1.123 CCCCNCCCc1ccccc1 2230a_100000211184_100000210211 [0,1,1,0,0,0|0,0,2]=4 3590 B14R1.123 CCCCNCCCc1ccccc1 34a_100000211184_100000210210 [0,1,1,0,0,0|0,0,2]=4 3591 B14R1.123 CCCCNCCCc1ccccc1 7a_106832991798_100000211621 [0,1,1,0,0,0|0,0,2]=4 3592 B14R1.123 CCCNCCCCc1ccccc1 2230a_100015280158_100000210303 [0,1,1,0,0,0|0,0,2]=4 3593 B14R1.123 CCCNCCCCc1ccccc1 34a_100015280158_100000210303 [0,1,1,0,0,0|0,0,2]=4 3594 B14R1.123 CCCNCCCOc1ccccc1 2230a_100000216521_100000210303 [0,1,1,0,0,0|0,0,2]=4 3595 B14R1.123 CCCNCCCOc1ccccc1 34a_100000216521_100000210303 [0,1,1,0,0,0|0,0,2]=4 3596 B14R1.123 CCCNCCCSc1ccccc1 2230a_100000184639_100000210303 [0,1,1,0,0,0|0,0,2]=4 3597 B14R1.123 CCCNCCOCc1ccccc1 2230a_100000753106_100000210303 [0,1,1,0,0,0|0,0,2]=4 3598 B14R1.123 CCCNCCOCc1ccccc1 34a_100000753106_100000210303 [0,1,1,0,0,0|0,0,2]=4 3599 B14R1.123 CCCNCCSCc1ccccc1 2230a_100000189534_100000210303 [0,1,1,0,0,0|0,0,2]=4 3600 B14R1.123 CCCNCCSCc1ccccc1 34a_100000189534_100000210303 [0,1,1,0,0,0|0,0,2]=4 3601 B14R1.123 CCCNCCSCc1ccccc1 7a_100000189534_100000210303 [0,1,1,0,0,0|0,0,2]=4 3602 B14R1.123 COCCNCCCc1ccccc1 2230a_100000209980_100000211621 [0,1,1,0,0,0|0,0,2]=4 3603 B14R1.123 COCCNCCCc1ccccc1 2230a_100000211184_100011201679 [0,1,1,0,0,0|0,0,2]=4 3604 B14R1.123 COCCNCCCc1ccccc1 34a_100000211184_100011201679 [0,1,1,0,0,0|0,0,2]=4 3605 B14R1.123 COCNCCCCc1ccccc1 2230a_100015280158_100000766300 [0,1,1,0,0,0|1,0,1]=4 3606 B14R1.123 COCNCCCOc1ccccc1 2230a_100000216521_100000766300 [0,1,1,0,0,0|1,0,1]=4 3607 B14R1.123 COCNCCCSc1ccccc1 2230a_100000184639_100000766300 [0,1,1,0,0,0|1,0,1]=4 3608 B14R1.123 COCNCCOCc1ccccc1 2230a_100000753106_100000766300 [0,1,1,0,0,0|1,0,1]=4 3609 B14R1.123 COCNCCSCc1ccccc1 2230a_100000189534_100000766300 [0,1,1,0,0,0|1,0,1]=4 3610 B14R1.123 CSCCNCCCc1ccccc1 2230a_100000211184_100000751147 [0,1,1,0,0,0|0,0,2]=4 3611 B14R1.123 CSCCNCCCc1ccccc1 2230a_100020590264_100000211621 [0,1,1,0,0,0|0,0,2]=4 3612 B14R1.123 CSCCNCCCc1ccccc1 34a_100000211184_100000212216 [0,1,1,0,0,0|0,0,2]=4 3613 B14R1.123 CSCNCCCCc1ccccc1 2230a_100015280158_100011218213 [0,1,1,0,0,0|1,0,1]=4 3614 B14R1.123 CSCNCCCCc1ccccc1 34a_100015280158_100011218213 [0,1,1,0,0,0|1,0,1]=4 3615 B14R1.123 CSCNCCCOc1ccccc1 2230a_100000216521_100011218213 [0,1,1,0,0,0|1,0,1]=4 3616 B14R1.123 CSCNCCCOc1ccccc1 34a_100000216521_100011218213 [0,1,1,0,0,0|1,0,1]=4 3617 B14R1.123 CSCNCCCSc1ccccc1 2230a_100000184639_100011218213 [0,1,1,0,0,0|1,0,1]=4 3618 B14R1.123 CSCNCCOCc1ccccc1 2230a_100000753106_100011218213 [0,1,1,0,0,0|1,0,1]=4 3619 B14R1.123 CSCNCCOCc1ccccc1 34a_100000753106_100011218213 [0,1,1,0,0,0|1,0,1]=4 3620 B14R1.123 CSCNCCSCc1ccccc1 2230a_100000189534_100011218213 [0,1,1,0,0,0|1,0,1]=4 3621 B14R1.123 CSCNCCSCc1ccccc1 34a_100000189534_100011218213 [0,1,1,0,0,0|1,0,1]=4 3622 B14R1.123 FCCCNCCCc1ccccc1 2230a_100000211184_100011934791 [0,1,1,0,0,0|0,0,2]=4 3623 B14R1.123 FCCCNCCCc1ccccc1 2230a_100015189416_100000211621 [0,1,1,0,0,0|0,0,2]=4 3624 B14R1.123 FCCCNCCCc1ccccc1 34a_100000211184_100011934791 [0,1,1,0,0,0|0,0,2]=4 3625 B14R1.123 FCCCNCCCc1ccccc1 34a_100015189416_100000211621 [0,1,1,0,0,0|0,0,2]=4 3626 B14R1.123 FCCNCCCCc1ccccc1 2230a_100015280158_100011217306 [0,1,1,0,0,0|1,0,1]=4 3627 B14R1.123 FCCNCCCCc1ccccc1 34a_100000724931_100000701786 [0,1,1,0,0,0|1,0,1]=4 3628 B14R1.123 FCCNCCCCc1ccccc1 34a_100015280158_100011217306 [0,1,1,0,0,0|1,0,1]=4 3629 B14R1.123 FCCNCCCOc1ccccc1 2230a_100000216521_100011217306 [0,1,1,0,0,0|1,0,1]=4 3630 B14R1.123 FCCNCCCOc1ccccc1 34a_100000216521_100011217306 [0,1,1,0,0,0|1,0,1]=4 3631 B14R1.123 FCCNCCCOc1ccccc1 34a_100000724931_100000199009 [0,1,1,0,0,0|1,0,1]=4 3632 B14R1.123 FCCNCCCSc1ccccc1 2230a_100000184639_100011217306 [0,1,1,0,0,0|1,0,1]=4 3633 B14R1.123 FCCNCCCSc1ccccc1 34a_100000724931_200011203293 [0,1,1,0,0,0|1,0,1]=4 3634 B14R1.123 FCCNCCOCc1ccccc1 2230a_100000753106_100011217306 [0,1,1,0,0,0|1,0,1]=4 3635 B14R1.123 FCCNCCOCc1ccccc1 34a_100000724931_100000234347 [0,1,1,0,0,0|1,0,1]=4 3636 B14R1.123 FCCNCCOCc1ccccc1 34a_100000753106_100011217306 [0,1,1,0,0,0|1,0,1]=4 3637 B14R1.123 FCCNCCSCc1ccccc1 2230a_100000189534_100011217306 [0,1,1,0,0,0|1,0,1]=4 3638 B14R1.123 FCCNCCSCc1ccccc1 34a_100000189534_100011217306 [0,1,1,0,0,0|1,0,1]=4 3639 B14R1.123 FCCNCCSCc1ccccc1 34a_100000724931_200011297719 [0,1,1,0,0,0|1,0,1]=4 3640 B14R1.123 FCCNCCSCc1ccccc1 7a_100000189534_100011217306 [0,1,1,0,0,0|1,0,1]=4 3641 B14R1.123 N#CCCCCCOc1ccccc1 7a_100000210340_100009813376 [0,1,1,0,0,0|2,0,0]=4 3642 B14R1.123 N#CCCCCCSc1ccccc1 62a_100000719477_100009813376 [0,1,1,0,0,0|2,0,0]=4 3643 B14R1.123 N#CCCCCCSc1ccccc1 62a_100009813376_100000041952 [0,1,1,0,0,0|2,0,0]=4 3644 B14R1.123 N#CCCCCNCc1ccccc1 2230a_100015324214_100000211819 [0,1,1,0,0,0|2,0,0]=4 3645 B14R1.123 N#CCCCCNCc1ccccc1 270004a_100000751965_100015611070 [0,1,1,0,0,0|2,0,0]=4 3646 B14R1.123 N#CCCCCOCc1ccccc1 7a_100000210790_100000211819 [0,1,1,0,0,0|2,0,0]=4 3647 B14R1.123 N#CCCCCSCc1ccccc1 62a_100000211182_100000211819 [0,1,1,0,0,0|2,0,0]=4 3648 B14R1.123 N#CCCCCSCc1ccccc1 62a_100011219923_100015291786 [0,1,1,0,0,0|2,0,0]=4 3649 B14R1.123 N#CCCCNCCc1ccccc1 2230a_100000106460_100000687738 [0,1,1,0,0,0|2,0,0]=4 3650 B14R1.123 N#CCCCOCCc1ccccc1 7a_100000210268_100000687738 [0,1,1,0,0,0|2,0,0]=4 3651 B14R1.123 N#CCCCSCCc1ccccc1 62a_100000687738_100011218657 [0,1,1,0,0,0|2,0,0]=4 3652 B14R1.123 N#CCCCSCCc1ccccc1 62a_100000765856_100000687738 [0,1,1,0,0,0|2,0,0]=4 3653 B14R1.123 N#CCCNCCCc1ccccc1 2230a_100000211184_100011215226 [0,1,1,0,0,0|0,0,1]=3 3654 B14R1.123 N#CCCNCCCc1cccnc1 2230a_100011532358_100011215226 [0,1,1,0,0,0|1,0,1]=4 3655 B14R1.123 N#CCCNCCCc1ccncc1 2230a_100011275580_100011215226 [0,1,1,0,0,0|1,0,1]=4 3656 B14R1.123 N#CCCNCCOc1ccccc1 2230a_100000174943_100011215226 [0,1,1,0,0,0|1,0,1]=4 3657 B14R1.123 N#CCCNCCOc1ccccc1 270004a_100000720768_100000758736 [0,1,1,0,0,0|1,0,1]=4 3658 B14R1.123 N#CCCNCCSc1ccccc1 2230a_100000189519_100011215226 [0,1,1,0,0,0|1,0,1]=4 3659 B14R1.123 N#CCCOCCCc1ccccc1 7a_100000210828_100000184422 [0,1,1,0,0,0|1,0,1]=4 3660 B14R1.123 N#CCCSCCCc1ccccc1 62a_100000211621_100011215226 [0,1,1,0,0,0|1,0,1]=4 3661 B14R1.123 N#CCCSCCCc1ccccc1 62a_100011215226_100000211621 [0,1,1,0,0,0|1,0,1]=4 3662 B14R1.123 N#CCNCCCCc1ccccc1 2230a_100015280158_100011215382 [0,1,1,0,0,0|1,0,0]=3 3663 B14R1.123 N#CCNCCCOc1ccccc1 2230a_100000216521_100011215382 [0,1,1,0,0,0|1,0,0]=3 3664 B14R1.123 N#CCNCCCSc1ccccc1 2230a_100000184639_100011215382 [0,1,1,0,0,0|1,0,0]=3 3665 B14R1.123 N#CCNCCOCc1ccccc1 2230a_100000753106_100011215382 [0,1,1,0,0,0|1,0,0]=3 3666 B14R1.123 N#CCNCCSCc1ccccc1 2230a_100000189534_100011215382 [0,1,1,0,0,0|1,0,0]=3 3667 B14R1.123 N#CCNCCSCc1ccccc1 7a_100000189534_100011215382 [0,1,1,0,0,0|1,0,0]=3 3668 B14R1.123 N#CCOCCCCc1ccccc1 7a_100000703073_100011215382 [0,1,1,0,0,0|2,0,0]=4 3669 B14R1.123 N#CCOCCCOc1ccccc1 7a_100011215863_100011215382 [0,1,1,0,0,0|2,0,0]=4 3670 B14R1.123 N#CCOCCNCc1ccccc1 2230a_100015324214_200000047693 [0,1,1,0,0,0|2,0,0]=4 3671 B14R1.123 N#CCOCCOCc1ccccc1 7a_100000210790_200000047693 [0,1,1,0,0,0|2,0,0]=4 3672 B14R1.123 N#CCOCCOCc1ccccc1 7a_100000759325_100011215382 [0,1,1,0,0,0|2,0,0]=4 3673 B14R1.123 N#CCOCCSCc1ccccc1 62a_100000211182_200000047693 [0,1,1,0,0,0|2,0,0]=4 3674 B14R1.123 N#CCOCCSCc1ccccc1 62a_200000047693_100015291786 [0,1,1,0,0,0|2,0,0]=4 3675 B14R1.123 N#CCOCCSCc1ccccc1 7a_100011205989_100011215382 [0,1,1,0,0,0|2,0,0]=4 3676 B14R1.123 N#CCSCCCCc1ccccc1 62a_100000701786_100011215382 [0,1,1,0,0,0|2,0,0]=4 3677 B14R1.123 N#CCSCCCCc1ccccc1 62a_100011215382_100000701786 [0,1,1,0,0,0|2,0,0]=4 3678 B14R1.123 N#CCSCCCOc1ccccc1 62a_100000199009_100011215382 [0,1,1,0,0,0|2,0,0]=4 3679 B14R1.123 N#CCSCCCOc1ccccc1 62a_100011215382_100000199009 [0,1,1,0,0,0|2,0,0]=4 3680 B14R1.123 N#CCSCCCSc1ccccc1 62a_100011215382_200011203293 [0,1,1,0,0,0|2,0,0]=4 3681 B14R1.123 N#CCSCCCSc1ccccc1 62a_200011203293_100011215382 [0,1,1,0,0,0|2,0,0]=4 3682 B14R1.123 N#CCSCCOCc1ccccc1 62a_100000234347_100011215382 [0,1,1,0,0,0|2,0,0]=4 3683 B14R1.123 N#CCSCCOCc1ccccc1 62a_100011215382_100000234347 [0,1,1,0,0,0|2,0,0]=4 3684 B14R1.123 N#CCSCCSCc1ccccc1 62a_100011215382_200011297719 [0,1,1,0,0,0|2,0,0]=4 3685 B14R1.123 N#CCSCCSCc1ccccc1 62a_200011297719_100011215382 [0,1,1,0,0,0|2,0,0]=4 3686 B14R1.123 N#CSCSCCCc1ccccc1 62a_100000211621_100000211825 [0,1,1,0,0,0|2,0,0]=4 3687 B14R1.123 N#CSCSCCCc1ccccc1 62a_100000211825_100000211621 [0,1,1,0,0,0|2,0,0]=4 3688 B14R1.123 O=CCNCCCCc1ccccc1 2230a_100015280158_200015260668 [0,1,1,0,0,0|1,0,1]=4 3689 B14R1.123 O=CCNCCCCc1ccccc1 34a_100015280158_200009817547 [0,1,1,0,0,0|1,0,1]=4 3690 B14R1.123 O=CCNCCCOc1ccccc1 2230a_100000216521_200015260668 [0,1,1,0,0,0|1,0,1]=4 3691 B14R1.123 O=CCNCCCOc1ccccc1 34a_100000216521_200009817547 [0,1,1,0,0,0|1,0,1]=4 3692 B14R1.123 O=CCNCCCSc1ccccc1 2230a_100000184639_200015260668 [0,1,1,0,0,0|1,0,1]=4 3693 B14R1.123 O=CCNCCOCc1ccccc1 2230a_100000753106_200015260668 [0,1,1,0,0,0|1,0,1]=4 3694 B14R1.123 O=CCNCCOCc1ccccc1 34a_100000753106_200009817547 [0,1,1,0,0,0|1,0,1]=4 3695 B14R1.123 O=CCNCCSCc1ccccc1 2230a_100000189534_200015260668 [0,1,1,0,0,0|1,0,1]=4 3696 B14R1.123 O=CCNCCSCc1ccccc1 34a_100000189534_200009817547 [0,1,1,0,0,0|1,0,1]=4 3697 B14R1.123 O=CCNCCSCc1ccccc1 7a_100000189534_200015260668 [0,1,1,0,0,0|1,0,1]=4 3698 B14R1.123 OCCCNCCCc1ccccc1 2230a_100000211184_100000230001 [0,1,1,0,0,0|0,0,2]=4 3699 B14R1.123 OCCCNCCCc1ccccc1 34a_100000211184_100000230001 [0,1,1,0,0,0|0,0,2]=4 3700 B14R1.123 OCCNCCCCc1ccccc1 2230a_100015280158_100000211926 [0,1,1,0,0,0|1,0,1]=4 3701 B14R1.123 OCCNCCCCc1ccccc1 2230a_100016997473_100000701786 [0,1,1,0,0,0|1,0,1]=4 3702 B14R1.123 OCCNCCCCc1ccccc1 34a_100015280158_100000211926 [0,1,1,0,0,0|1,0,1]=4 3703 B14R1.123 OCCNCCCCc1ccccc1 34a_100016990907_100000701786 [0,1,1,0,0,0|1,0,1]=4 3704 B14R1.123 OCCNCCCOc1ccccc1 2230a_100000216521_100000211926 [0,1,1,0,0,0|1,0,1]=4 3705 B14R1.123 OCCNCCCOc1ccccc1 2230a_100016997473_100000199009 [0,1,1,0,0,0|1,0,1]=4 3706 B14R1.123 OCCNCCCOc1ccccc1 34a_100000216521_100000211926 [0,1,1,0,0,0|1,0,1]=4 3707 B14R1.123 OCCNCCCOc1ccccc1 34a_100016990907_100000199009 [0,1,1,0,0,0|1,0,1]=4 3708 B14R1.123 OCCNCCCSc1ccccc1 2230a_100000184639_100000211926 [0,1,1,0,0,0|1,0,1]=4 3709 B14R1.123 OCCNCCCSc1ccccc1 2230a_100016997473_200011203293 [0,1,1,0,0,0|1,0,1]=4 3710 B14R1.123 OCCNCCCSc1ccccc1 34a_100016990907_200011203293 [0,1,1,0,0,0|1,0,1]=4 3711 B14R1.123 OCCNCCOCc1ccccc1 2230a_100000753106_100000211926 [0,1,1,0,0,0|1,0,1]=4 3712 B14R1.123 OCCNCCOCc1ccccc1 2230a_100016997473_100000234347 [0,1,1,0,0,0|1,0,1]=4 3713 B14R1.123 OCCNCCOCc1ccccc1 34a_100000753106_100000211926 [0,1,1,0,0,0|1,0,1]=4 3714 B14R1.123 OCCNCCOCc1ccccc1 34a_100016990907_100000234347 [0,1,1,0,0,0|1,0,1]=4 3715 B14R1.123 OCCNCCSCc1ccccc1 2230a_100000189534_100000211926 [0,1,1,0,0,0|1,0,1]=4 3716 B14R1.123 OCCNCCSCc1ccccc1 2230a_100016997473_200011297719 [0,1,1,0,0,0|1,0,1]=4 3717 B14R1.123 OCCNCCSCc1ccccc1 34a_100000189534_100000211926 [0,1,1,0,0,0|1,0,1]=4 3718 B14R1.123 OCCNCCSCc1ccccc1 34a_100016990907_200011297719 [0,1,1,0,0,0|1,0,1]=4 3719 B14R1.123 OCCNCCSCc1ccccc1 7a_100000189534_100000211926 [0,1,1,0,0,0|1,0,1]=4 3720 B14R1.156 C#CCCC(=O)CCc1ccccc1 1458a_100000185753_100000753159 [0,1,1,0,0,0|1,0,1]=4 3721 B14R1.156 C#CCCC(=O)CCc1ccccc1 1458a_100000692101_100000765856 [0,1,1,0,0,0|1,0,1]=4 3722 B14R1.156 C#CCCN(C)CCc1ccccc1 2230a_100000207497_100000688953 [0,1,1,0,0,0|2,0,0]=4 3723 B14R1.156 C#CCCN(C)CCc1ccccc1 269982a_100000207497_100000730999 [0,1,1,0,0,0|2,0,0]=4 3724 B14R1.156 C#CCNC(=O)CCc1ccccc1 11a_100000212058_100000185753 [0,1,1,0,0,0|0,0,1]=3 3725 B14R1.156 C#CCNC(=O)CCc1ccccc1 1626a_100000212058_100000185753 [0,1,1,0,0,0|0,0,1]=3 3726 B14R1.156 C#CCNC(=O)CCc1ccccc1 240690a_100000212058_100000185753 [0,1,1,0,0,0|0,0,1]=3 3727 B14R1.156 C#CCNC(=O)CCc1ccccc1 527a_100000212058_100000185753 [0,1,1,0,0,0|0,0,1]=3 3728 B14R1.156 C#CCNC(=O)CCc1ccccn1 11a_100000212058_100015195070 [0,1,1,0,0,0|1,0,1]=4 3729 B14R1.156 C#CCNC(=O)CCc1ccccn1 240690a_100000212058_100015195070 [0,1,1,0,0,0|1,0,1]=4 3730 B14R1.156 C#CCNC(=O)CCc1ccccn1 527a_100000212058_100015195070 [0,1,1,0,0,0|1,0,1]=4 3731 B14R1.156 C#CCNC(=O)CCc1cccnc1 11a_100000212058_100000198484 [0,1,1,0,0,0|1,0,1]=4 3732 B14R1.156 C#CCNC(=O)CCc1cccnc1 1626a_100000212058_100000198484 [0,1,1,0,0,0|1,0,1]=4 3733 B14R1.156 C#CCNC(=O)CCc1cccnc1 240690a_100000212058_100000198484 [0,1,1,0,0,0|1,0,1]=4 3734 B14R1.156 C#CCNC(=O)CCc1cccnc1 527a_100000212058_100000198484 [0,1,1,0,0,0|1,0,1]=4 3735 B14R1.156 C#CCNC(=O)CCc1ccncc1 11a_100000212058_100011225043 [0,1,1,0,0,0|1,0,1]=4 3736 B14R1.156 C#CCNC(=O)CCc1ccncc1 240690a_100000212058_100011225043 [0,1,1,0,0,0|1,0,1]=4 3737 B14R1.156 C#CCNC(=O)CCc1ccncc1 527a_100000212058_100011225043 [0,1,1,0,0,0|1,0,1]=4 3738 B14R1.156 C#CCNC(=O)COc1ccccc1 11a_100000212058_100000186222 [0,1,1,0,0,0|1,0,1]=4 3739 B14R1.156 C#CCNC(=O)COc1ccccc1 1626a_100000212058_100000186222 [0,1,1,0,0,0|1,0,1]=4 3740 B14R1.156 C#CCNC(=O)COc1ccccc1 240690a_100000212058_100000186222 [0,1,1,0,0,0|1,0,1]=4 3741 B14R1.156 C#CCNC(=O)COc1ccccc1 527a_100000212058_100000186222 [0,1,1,0,0,0|1,0,1]=4 3742 B14R1.156 C#CCNC(=O)CSc1ccccc1 11a_100000212058_100000211596 [0,1,1,0,0,0|1,0,1]=4 3743 B14R1.156 C#CCNC(=O)CSc1ccccc1 1626a_100000212058_100000211596 [0,1,1,0,0,0|1,0,1]=4 3744 B14R1.156 C#CCNC(=O)CSc1ccccc1 240690a_100000212058_100000211596 [0,1,1,0,0,0|1,0,1]=4 3745 B14R1.156 C#CCNC(=O)CSc1ccccc1 527a_100000212058_100000211596 [0,1,1,0,0,0|1,0,1]=4 3746 B14R1.156 C#CCNC(=O)NCc1ccccc1 2708a_100000212058_100015324214 [0,1,1,0,0,0|1,0,1]=4 3747 B14R1.156 C#CCNC(=O)NCc1ccccc1 2708a_100015324214_100000212058 [0,1,1,0,0,0|1,0,1]=4 3748 B14R1.156 C#CCNC(=O)NCc1ccccc1 273464a_100000212058_100015324214 [0,1,1,0,0,0|1,0,1]=4 3749 B14R1.156 C#CCNC(=O)NCc1ccccc1 273464a_100015324214_100000212058 [0,1,1,0,0,0|1,0,1]=4 3750 B14R1.156 C#CCNC(=O)NCc1ccccc1 512a_100000212058_100015324214 [0,1,1,0,0,0|1,0,1]=4 3751 B14R1.156 C#CCNC(=O)NCc1ccccc1 512a_100015324214_100000212058 [0,1,1,0,0,0|1,0,1]=4 3752 B14R1.156 C#CCNC(C)CCc1ccccc1 2230a_100000210798_100000038162 [0,1,1,0,0,0|0,0,0]=2 3753 B14R1.156 C#CCNC(C)CCc1ccccc1 34a_100000210798_100000184674 [0,1,1,0,0,0|0,0,0]=2 3754 B14R1.156 C#CCNC(C)COc1ccccc1 2230a_100000746794_100000038162 [0,1,1,0,0,0|1,0,0]=3 3755 B14R1.156 C#CCNC(C)COc1ccccc1 34a_100000746794_100000184674 [0,1,1,0,0,0|1,0,0]=3 3756 B14R1.156 C#CCOC(C)COc1ccccc1 34a_100000210911_100000184674 [0,1,1,0,0,0|2,0,0]=4 3757 B14R1.156 C#CCOC(C)COc1ccccc1 7a_100000210911_100000038162 [0,1,1,0,0,0|2,0,0]=4 3758 B14R1.156 C#CCO[C@@H](C)CCc1ccccc1 34a_100009815974_100000184674 [0,1,1,0,0,0|1,0,0]=3 3759 B14R1.156 C#CCO[C@@H](C)CCc1ccccc1 7a_100009815974_100000038162 [0,1,1,0,0,0|1,0,0]=3 3760 B14R1.156 C=CCNC(C)CCc1ccccc1 2230a_100000210798_100000210623 [0,1,1,0,0,0|0,0,2]=4 3761 B14R1.156 C=CCNC(C)CCc1ccccc1 270004a_100020586998_100000210092 [0,1,1,0,0,0|0,0,2]=4 3762 B14R1.156 C=CCNC(C)CCc1ccccc1 34a_100000210798_100015514636 [0,1,1,0,0,0|0,0,2]=4 3763 B14R1.156 CC(CCc1ccccc1)NCC#N 2230a_100000210798_100011215382 [0,1,1,0,0,0|1,0,0]=3 3764 B14R1.156 CC(CCc1ccccc1)NCC=O 2230a_100000210798_200015260668 [0,1,1,0,0,0|1,0,1]=4 3765 B14R1.156 CC(CCc1ccccc1)NCC=O 34a_100000210798_200009817547 [0,1,1,0,0,0|1,0,1]=4 3766 B14R1.156 CC(CCc1ccccc1)NCCF 2230a_100000210798_100011217306 [0,1,1,0,0,0|1,0,1]=4 3767 B14R1.156 CC(CCc1ccccc1)NCCF 34a_100000210798_100011217306 [0,1,1,0,0,0|1,0,1]=4 3768 B14R1.156 CC(CCc1ccccc1)NCCO 2230a_100000210798_100000211926 [0,1,1,0,0,0|1,0,1]=4 3769 B14R1.156 CC(CCc1ccccc1)NCCO 270004a_100000210304_100000210092 [0,1,1,0,0,0|1,0,1]=4 3770 B14R1.156 CC(CCc1ccccc1)NCCO 34a_100000210798_100000211926 [0,1,1,0,0,0|1,0,1]=4 3771 B14R1.156 CC(COc1ccccc1)NCC#N 2230a_100000746794_100011215382 [0,1,1,0,0,0|2,0,0]=4 3772 B14R1.156 CCCNC(C)CCc1ccccc1 2230a_100000210798_100000210303 [0,1,1,0,0,0|0,0,2]=4 3773 B14R1.156 CCCNC(C)CCc1ccccc1 270004a_100020643023_100000210092 [0,1,1,0,0,0|0,0,2]=4 3774 B14R1.156 CCCNC(C)CCc1ccccc1 34a_100000210798_100000210303 [0,1,1,0,0,0|0,0,2]=4 3775 B14R1.156 COCNC(C)CCc1ccccc1 2230a_100000210798_100000766300 [0,1,1,0,0,0|1,0,1]=4 3776 B14R1.156 CSCNC(C)CCc1ccccc1 2230a_100000210798_100011218213 [0,1,1,0,0,0|1,0,1]=4 3777 B14R1.156 CSCNC(C)CCc1ccccc1 34a_100000210798_100011218213 [0,1,1,0,0,0|1,0,1]=4 3778 B14R1.156 C[C@@H](CCc1ccccc1)OCC#N 7a_100009815974_100011215382 [0,1,1,0,0,0|2,0,0]=4 3779 B14R1.156 N#CCNC(=O)CCc1ccccc1 1626a_100000734998_100000185753 [0,1,1,0,0,0|1,0,1]=4 3780 B14R1.156 N#CCNC(=O)CCc1ccccc1 527a_100000734998_100000185753 [0,1,1,0,0,0|1,0,1]=4 3781 B14R1.158 C#CCCCC(=O)Cc1ccccc1 1458a_100000690238_100015291786 [0,1,1,0,0,0|1,0,1]=4 3782 B14R1.158 C#CCCCN(C)Cc1ccccc1 2230a_100000186898_100000731252 [0,1,1,0,0,0|2,0,0]=4 3783 B14R1.158 C#CCCCN(C)Cc1ccccc1 269982a_100000186898_100011215417 [0,1,1,0,0,0|2,0,0]=4 3784 B14R1.158 C#CCCNC(C)Cc1ccccc1 34a_100000755551_200011218536 [0,1,1,0,0,0|2,0,0]=4 3785 B14R1.158 C#CCCOC(C)Cc1ccccc1 34a_100000748627_100000688953 [0,1,1,0,0,0|2,0,0]=4 3786 B14R1.158 C#CCCOC(C)Cc1ccccc1 34a_100011215631_200011218536 [0,1,1,0,0,0|2,0,0]=4 3787 B14R1.158 C#CCCOC(C)Cc1ccccc1 7a_100000748627_100000688953 [0,1,1,0,0,0|2,0,0]=4 3788 B14R1.158 C#CCCSC(C)Cc1ccccc1 62a_100000688953_200011218536 [0,1,1,0,0,0|2,0,0]=4 3789 B14R1.158 C#CCCSC(C)Cc1ccccc1 62a_200011218536_100000688953 [0,1,1,0,0,0|2,0,0]=4 3790 B14R1.158 C#CCNCC(=O)Nc1ccccc1 34a_100000212058_100000182850 [0,1,1,0,0,0|1,0,1]=4 3791 B14R1.158 C#CCNCC(=O)Oc1ccccc1 34a_100000212058_100009813826 [0,1,1,0,0,0|1,0,1]=4 3792 B14R1.158 C#CCNCC(C)Oc1ccccc1 2230a_100000755676_100000038162 [0,1,1,0,0,0|1,0,0]=3 3793 B14R1.158 C#CCNCC(C)Oc1ccccc1 34a_100000755676_100000184674 [0,1,1,0,0,0|1,0,0]=3 3794 B14R1.158 C#CCNCC(C)Oc1cccnc1 2230a_200011219418_100000038162 [0,1,1,0,0,0|2,0,0]=4 3795 B14R1.158 C#CCNCC(O)Cc1ccccc1 2230a_100000752270_100000038162 [0,1,1,0,0,0|0,0,0]=2 3796 B14R1.158 C#CCNC[C@@H](O)Cc1ccccc1 34a_100000212058_100000729385 [0,1,1,0,0,0|0,0,0]=2 3797 B14R1.158 C#CCOCC(=O)Cc1ccccc1 1458a_100011251226_100015291786 [0,1,1,0,0,0|1,0,1]=4 3798 B14R1.158 C#CCOCC(C)Cc1ccccc1 34a_100012125295_100000184674 [0,1,1,0,0,0|1,0,0]=3 3799 B14R1.158 C#CCOCC(C)Cc1ccccc1 7a_100012125295_100000038162 [0,1,1,0,0,0|1,0,0]=3 3800 B14R1.158 C#CCOCC(C)Oc1ccccc1 34a_200000036796_100000184674 [0,1,1,0,0,0|2,0,0]=4 3801 B14R1.158 C#CCOCC(C)Oc1ccccc1 7a_200000036796_100000038162 [0,1,1,0,0,0|2,0,0]=4 3802 B14R1.158 C#CCOCC(N)Cc1ccccc1 34a_100000739027_100000184674 [0,1,1,0,0,0|1,0,0]=3 3803 B14R1.158 C#CCOC[C@@H](O)Cc1ccccc1 34a_100000210247_100000729385 [0,1,1,0,0,0|1,0,0]=3 3804 B14R1.158 C#CCSCC(=O)Cc1ccccc1 62a_100000038162_100000233483 [0,1,1,0,0,0|1,0,1]=4 3805 B14R1.158 C#CCSC[C@@H](O)Cc1ccccc1 62a_100000038162_100000729385 [0,1,1,0,0,0|1,0,0]=3 3806 B14R1.158 C=CCNCC(O)Cc1ccccc1 2230a_100000752270_100000210623 [0,1,1,0,0,0|0,0,2]=4 3807 B14R1.158 C=CCNC[C@@H](O)Cc1ccccc1 2230a_100020586998_100000729385 [0,1,1,0,0,0|0,0,2]=4 3808 B14R1.158 CC(CNCC#N)Oc1ccccc1 2230a_100000755676_100011215382 [0,1,1,0,0,0|2,0,0]=4 3809 B14R1.158 CC(COCC#N)Cc1ccccc1 7a_100012125295_100011215382 [0,1,1,0,0,0|2,0,0]=4 3810 B14R1.158 CCCNCC(O)Cc1ccccc1 2230a_100000752270_100000210303 [0,1,1,0,0,0|0,0,2]=4 3811 B14R1.158 COCNCC(O)Cc1ccccc1 2230a_100000752270_100000766300 [0,1,1,0,0,0|1,0,1]=4 3812 B14R1.158 CSCNCC(O)Cc1ccccc1 2230a_100000752270_100011218213 [0,1,1,0,0,0|1,0,1]=4 3813 B14R1.158 N#CCNCC(O)Cc1ccccc1 2230a_100000752270_100011215382 [0,1,1,0,0,0|1,0,0]=3 3814 B14R1.158 N#CCSC[C@@H](O)Cc1ccccc1 62a_100000729385_100011215382 [0,1,1,0,0,0|2,0,0]=4 3815 B14R1.158 N#CCSC[C@@H](O)Cc1ccccc1 62a_100011215382_100000729385 [0,1,1,0,0,0|2,0,0]=4 3816 B14R1.158 O=CCNCC(O)Cc1ccccc1 2230a_100000752270_200015260668 [0,1,1,0,0,0|1,0,1]=4 3817 B14R1.158 OC(CNCCF)Cc1ccccc1 2230a_100000752270_100011217306 [0,1,1,0,0,0|1,0,1]=4 3818 B14R1.158 OCCNCC(O)Cc1ccccc1 2230a_100000752270_100000211926 [0,1,1,0,0,0|1,0,1]=4 3819 B14R1.158 OCCNC[C@@H](O)Cc1ccccc1 2230a_100016997473_100000729385 [0,1,1,0,0,0|1,0,1]=4 3820 B14R1.158 OCCNC[C@@H](O)Cc1ccccc1 34a_100016990907_100000729385 [0,1,1,0,0,0|1,0,1]=4 3821 B14R1.158 O[C@H](CNCCF)Cc1ccccc1 34a_100000724931_100000729385 [0,1,1,0,0,0|1,0,1]=4 3822 B14R1.422 C=C(C)CNCCCc1ccccc1 2230a_100000211184_100000748629 [0,1,1,0,0,0|0,0,2]=4 3823 B14R1.422 C=C(C)CNCCCc1ccccc1 34a_100000211184_100000748629 [0,1,1,0,0,0|0,0,2]=4 3824 B14R1.422 C=C(F)CNCCCc1ccccc1 2230a_100000211184_100009893438 [0,1,1,0,0,0|0,0,2]=4 3825 B14R1.422 C=C(F)CNCCCc1ccccc1 34a_100000211184_100009893438 [0,1,1,0,0,0|0,0,2]=4 3826 B14R1.422 CC(C)CNCCCc1ccccc1 2230a_100000210953_100000211621 [0,1,1,0,0,0|0,0,2]=4 3827 B14R1.422 CC(C)CNCCCc1ccccc1 2230a_100000211184_100000210760 [0,1,1,0,0,0|0,0,2]=4 3828 B14R1.422 CC(C)CNCCCc1ccccc1 270004a_100000211184_100000210432 [0,1,1,0,0,0|0,0,2]=4 3829 B14R1.422 CC(C)CNCCCc1ccccc1 34a_100000210953_100000211621 [0,1,1,0,0,0|0,0,2]=4 3830 B14R1.422 CC(C)CNCCCc1ccccc1 34a_100000211184_100000210624 [0,1,1,0,0,0|0,0,2]=4 3831 B14R1.422 CC(O)CNCCCc1ccccc1 2230a_100000210904_100000211621 [0,1,1,0,0,0|0,0,2]=4 3832 B14R1.422 CC(O)CNCCCc1ccccc1 2230a_100000211184_100011218427 [0,1,1,0,0,0|0,0,2]=4 3833 B14R1.422 CC(O)CNCCCc1ccccc1 34a_100000210904_100000211621 [0,1,1,0,0,0|0,0,2]=4 3834 B14R1.422 CC(O)CNCCCc1ccccc1 34a_100000211184_100011218427 [0,1,1,0,0,0|0,0,2]=4 3835 B14R1.422 C[C@@H](O)CNCCCc1ccccc1 2230a_100000211184_100009817552 [0,1,1,0,0,0|0,0,2]=4 3836 B14R1.422 C[C@@H](O)CNCCCc1ccccc1 34a_100000211184_100009817552 [0,1,1,0,0,0|0,0,2]=4 3837 B14R1.422 FC(F)CNCCCc1ccccc1 2230a_100000211184_100011934356 [0,1,1,0,0,0|1,0,1]=4 3838 B14R1.422 FC(F)CNCCCc1ccccc1 34a_100000211184_100011934356 [0,1,1,0,0,0|1,0,1]=4 3839 B14R1.422 FC(F)CNCCCc1ccccc1 34a_100000765723_100000211621 [0,1,1,0,0,0|1,0,1]=4 3840 B14R1.422 NC(=O)CNCCCc1ccccc1 2230a_100000211184_100000747473 [0,1,1,0,0,0|1,0,1]=4 3841 B14R1.422 NC(=O)CNCCCc1ccccc1 2230a_100000711301_100000211621 [0,1,1,0,0,0|1,0,1]=4 3842 B14R1.422 NC(=O)CNCCCc1ccccc1 34a_100000211184_100000187820 [0,1,1,0,0,0|1,0,1]=4 3843 B14R1.422 O=C(O)CNCCCc1ccccc1 269956a_100016091260_100000211621 [0,1,1,0,0,0|1,0,1]=4 3844 B14R1.422 O=C([O-])CNCCCc1ccccc1 34a_100000211184_100020667443 [0,1,1,0,0,0|1,0,1]=4 3845 B14R1.422 O=[N+]([O-])CNCCCc1ccccc1 34a_100000211184_100000761209 [0,1,1,0,0,0|2,0,0]=4 3846 B14R1.520 C#CCC(=O)CCCc1ccccc1 1458a_100011207963_100000184674 [0,1,1,0,0,0|1,0,0]=3 3847 B14R1.520 C#CCC(=O)CCCc1ccccc1 1458a_100011220946_100000211621 [0,1,1,0,0,0|1,0,0]=3 3848 B14R1.520 C#CCC(=O)CCCc1ccccn1 1458a_100000752327_100000184674 [0,1,1,0,0,0|2,0,0]=4 3849 B14R1.520 C#CCC(=O)CCCc1ccncc1 1458a_100020654287_100000184674 [0,1,1,0,0,0|2,0,0]=4 3850 B14R1.520 C#CCC(=O)CCOc1ccccc1 1458a_100000182761_100000184674 [0,1,1,0,0,0|2,0,0]=4 3851 B14R1.520 C#CCC(=O)CCOc1ccccc1 1458a_100011220946_100000184471 [0,1,1,0,0,0|2,0,0]=4 3852 B14R1.520 C#CCC(=O)CCSc1ccccc1 1458a_100000182436_100000184674 [0,1,1,0,0,0|2,0,0]=4 3853 B14R1.520 C#CCC(=O)CCSc1ccccc1 1458a_100011220946_100000246102 [0,1,1,0,0,0|2,0,0]=4 3854 B14R1.520 C#CCC(=O)COCc1ccccc1 1458a_100000230186_100000184674 [0,1,1,0,0,0|2,0,0]=4 3855 B14R1.520 C#CCC(=O)CSCc1ccccc1 1458a_100000150264_100000184674 [0,1,1,0,0,0|2,0,0]=4 3856 B14R1.520 C#CCC(=O)CSCc1ccccc1 1458a_100011220946_200011217039 [0,1,1,0,0,0|2,0,0]=4 3857 B14R1.520 C#CCC(=O)NCCc1ccccc1 1626a_100000106460_100011220946 [0,1,1,0,0,0|2,0,0]=4 3858 B14R1.520 C#CCC(=O)NCCc1ccccc1 527a_100000106460_100011220946 [0,1,1,0,0,0|2,0,0]=4 3859 B14R1.520 C#CCC(C)OCCc1ccccc1 34a_100000685586_100000765856 [0,1,1,0,0,0|2,0,0]=4 3860 B14R1.520 C#CCC(C)OCCc1ccccc1 7a_100000685586_100000765856 [0,1,1,0,0,0|2,0,0]=4 3861 B14R1.520 C#CCN(C)C/C=C/c1ccccc1 2230a_100000225692_100016265936 [0,1,1,0,0,0|0,0,2]=4 3862 B14R1.520 C#CCN(C)C/C=C/c1ccccc1 34a_100000225692_100016265936 [0,1,1,0,0,0|0,0,2]=4 3863 B14R1.520 C#CCN(C)CC#Cc1ccccc1 2230a_100000225692_100011352542 [0,1,1,0,0,0|0,0,2]=4 3864 B14R1.520 C#CCN(C)CC#Cc1ccccc1 34a_100000225692_100011352542 [0,1,1,0,0,0|0,0,2]=4 3865 B14R1.520 C#CCN(C)CC=Cc1ccccc1 270004a_100000225692_100000210105 [0,1,1,0,0,0|0,0,2]=4 3866 B14R1.520 C#CCN(C)CCCc1ccccc1 2230a_100000225692_100000211621 [0,1,1,0,0,0|0,0,0]=2 3867 B14R1.520 C#CCN(C)CCCc1ccccc1 2230a_100000693637_100000038162 [0,1,1,0,0,0|0,0,0]=2 3868 B14R1.520 C#CCN(C)CCCc1ccccc1 34a_100000225692_100000211621 [0,1,1,0,0,0|0,0,0]=2 3869 B14R1.520 C#CCN(C)CCOc1ccccc1 2230a_100000184383_100000038162 [0,1,1,0,0,0|1,0,0]=3 3870 B14R1.520 C#CCN(C)CCOc1ccccc1 2230a_100000225692_100000184471 [0,1,1,0,0,0|1,0,0]=3 3871 B14R1.520 C#CCN(C)CCOc1ccccc1 270004a_100000225692_100000758736 [0,1,1,0,0,0|1,0,0]=3 3872 B14R1.520 C#CCN(C)CCOc1ccccc1 34a_100000225692_100000184471 [0,1,1,0,0,0|1,0,0]=3 3873 B14R1.520 C#CCN(C)CCSc1ccccc1 2230a_100000225692_100000246102 [0,1,1,0,0,0|1,0,0]=3 3874 B14R1.520 C#CCN(C)CCSc1ccccc1 34a_100000225692_100000246102 [0,1,1,0,0,0|1,0,0]=3 3875 B14R1.520 C#CCN(C)COCc1ccccc1 2230a_100000225692_100000763385 [0,1,1,0,0,0|1,0,0]=3 3876 B14R1.520 C#CCN(C)COCc1ccccc1 34a_100000225692_100000763385 [0,1,1,0,0,0|1,0,0]=3 3877 B14R1.520 C#CCN(C)CSCc1ccccc1 2230a_100000225692_200011217039 [0,1,1,0,0,0|1,0,0]=3 3878 B14R1.520 C#CCN(C)CSCc1ccccc1 34a_100000225692_200011217039 [0,1,1,0,0,0|1,0,0]=3 3879 B14R1.520 C=CCN(C)CCCc1ccccc1 2230a_100000225617_100000211621 [0,1,1,0,0,0|0,0,2]=4 3880 B14R1.520 C=CCN(C)CCCc1ccccc1 2230a_100000693637_100000210623 [0,1,1,0,0,0|0,0,2]=4 3881 B14R1.520 C=CCN(C)CCCc1ccccc1 269982a_100000225617_100000211621 [0,1,1,0,0,0|0,0,2]=4 3882 B14R1.520 C=CCN(C)CCCc1ccccc1 269982a_100000693637_100000210623 [0,1,1,0,0,0|0,0,2]=4 3883 B14R1.520 CCCN(C)CCCc1ccccc1 2230a_100000693637_100000210303 [0,1,1,0,0,0|0,0,2]=4 3884 B14R1.520 CCCN(C)CCCc1ccccc1 2230a_100000747261_100000211621 [0,1,1,0,0,0|0,0,2]=4 3885 B14R1.520 CCCN(C)CCCc1ccccc1 269982a_100000693637_100000210303 [0,1,1,0,0,0|0,0,2]=4 3886 B14R1.520 CCCN(C)CCCc1ccccc1 269982a_100000747261_100000211621 [0,1,1,0,0,0|0,0,2]=4 3887 B14R1.520 CN(CC#N)CCCc1ccccc1 2230a_100000693637_100011215382 [0,1,1,0,0,0|1,0,0]=3 3888 B14R1.520 CN(CC#N)CCCc1ccccc1 2230a_100000748184_100000211621 [0,1,1,0,0,0|1,0,0]=3 3889 B14R1.520 CN(CC#N)CCCc1ccccc1 269982a_100000693637_100011214920 [0,1,1,0,0,0|1,0,0]=3 3890 B14R1.520 CN(CC#N)CCOc1ccccc1 2230a_100000184383_100011215382 [0,1,1,0,0,0|2,0,0]=4 3891 B14R1.520 CN(CC#N)CCOc1ccccc1 2230a_100000748184_100000184471 [0,1,1,0,0,0|2,0,0]=4 3892 B14R1.520 CN(CC#N)CCOc1ccccc1 269982a_100000184383_100011214920 [0,1,1,0,0,0|2,0,0]=4 3893 B14R1.520 CN(CC#N)CCSc1ccccc1 2230a_100000748184_100000246102 [0,1,1,0,0,0|2,0,0]=4 3894 B14R1.520 CN(CC#N)COCc1ccccc1 2230a_100000748184_100000763385 [0,1,1,0,0,0|2,0,0]=4 3895 B14R1.520 CN(CC#N)CSCc1ccccc1 2230a_100000748184_200011217039 [0,1,1,0,0,0|2,0,0]=4 3896 B14R1.520 CN(CC=O)CCCc1ccccc1 2230a_100000693637_200015260668 [0,1,1,0,0,0|1,0,1]=4 3897 B14R1.520 CN(CC=O)CCCc1ccccc1 269982a_100000693637_200015260668 [0,1,1,0,0,0|1,0,1]=4 3898 B14R1.520 CN(CCF)CCCc1ccccc1 2230a_100000693637_100011217306 [0,1,1,0,0,0|1,0,1]=4 3899 B14R1.520 CN(CCF)CCCc1ccccc1 269982a_100000693637_100011217306 [0,1,1,0,0,0|1,0,1]=4 3900 B14R1.520 CN(CCO)CCCc1ccccc1 2230a_100000210263_100000211621 [0,1,1,0,0,0|1,0,1]=4 3901 B14R1.520 CN(CCO)CCCc1ccccc1 2230a_100000693637_100000211926 [0,1,1,0,0,0|1,0,1]=4 3902 B14R1.520 CN(CCO)CCCc1ccccc1 269982a_100000210263_100000211621 [0,1,1,0,0,0|1,0,1]=4 3903 B14R1.520 CN(CCO)CCCc1ccccc1 269982a_100000693637_100000211926 [0,1,1,0,0,0|1,0,1]=4 3904 B14R1.520 COCN(C)CCCc1ccccc1 2230a_100000693637_100000766300 [0,1,1,0,0,0|1,0,1]=4 3905 B14R1.520 COCN(C)CCCc1ccccc1 269982a_100000693637_100000766300 [0,1,1,0,0,0|1,0,1]=4 3906 B14R1.520 CSCN(C)CCCc1ccccc1 2230a_100000693637_100011218213 [0,1,1,0,0,0|1,0,1]=4 3907 B14R1.520 CSCN(C)CCCc1ccccc1 269982a_100000693637_100011218213 [0,1,1,0,0,0|1,0,1]=4 3908 B14R1.520 N#CCC(=O)CCCc1ccccc1 1458a_100011207963_100011214920 [0,1,1,0,0,0|2,0,0]=4 3909 B14R1.520 N#CCC(=O)CCCc1ccccc1 1458a_100051588842_100000211621 [0,1,1,0,0,0|2,0,0]=4 3910 B14R1.716 C#CC(=O)CCCCc1ccccc1 1458a_100000211873_100000701786 [0,1,1,0,0,0|1,0,1]=4 3911 B14R1.716 C#CC(C)NC/C=C/c1ccccc1 2230a_100000707721_100016265936 [0,1,1,0,0,0|0,0,2]=4 3912 B14R1.716 C#CC(C)NC/C=C/c1ccccc1 34a_100000707721_100016265936 [0,1,1,0,0,0|0,0,2]=4 3913 B14R1.716 C#CC(C)NC/C=C/c1ccccc1 34a_100020603302_200000035995 [0,1,1,0,0,0|0,0,2]=4 3914 B14R1.716 C#CC(C)NCC#Cc1ccccc1 2230a_100000707721_100011352542 [0,1,1,0,0,0|0,0,2]=4 3915 B14R1.716 C#CC(C)NCC#Cc1ccccc1 34a_100000707721_100011352542 [0,1,1,0,0,0|0,0,2]=4 3916 B14R1.716 C#CC(C)NCC#Cc1ccccc1 34a_100000735379_200000035995 [0,1,1,0,0,0|0,0,2]=4 3917 B14R1.716 C#CC(C)NCC=Cc1ccccc1 270004a_100000707721_100000210105 [0,1,1,0,0,0|0,0,2]=4 3918 B14R1.716 C#CC(C)NCCCc1ccccc1 2230a_100000707721_100000211621 [0,1,1,0,0,0|0,0,0]=2 3919 B14R1.716 C#CC(C)NCCCc1ccccc1 34a_100000211184_200000035995 [0,1,1,0,0,0|0,0,0]=2 3920 B14R1.716 C#CC(C)NCCCc1ccccc1 34a_100000707721_100000211621 [0,1,1,0,0,0|0,0,0]=2 3921 B14R1.716 C#CC(C)NCCCc1cccnc1 34a_100011532358_200000035995 [0,1,1,0,0,0|1,0,0]=3 3922 B14R1.716 C#CC(C)NCCOc1ccccc1 2230a_100000707721_100000184471 [0,1,1,0,0,0|1,0,0]=3 3923 B14R1.716 C#CC(C)NCCOc1ccccc1 270004a_100000707721_100000758736 [0,1,1,0,0,0|1,0,0]=3 3924 B14R1.716 C#CC(C)NCCOc1ccccc1 34a_100000174943_200000035995 [0,1,1,0,0,0|1,0,0]=3 3925 B14R1.716 C#CC(C)NCCOc1ccccc1 34a_100000707721_100000184471 [0,1,1,0,0,0|1,0,0]=3 3926 B14R1.716 C#CC(C)NCCSc1ccccc1 2230a_100000707721_100000246102 [0,1,1,0,0,0|1,0,0]=3 3927 B14R1.716 C#CC(C)NCCSc1ccccc1 34a_100000707721_100000246102 [0,1,1,0,0,0|1,0,0]=3 3928 B14R1.716 C#CC(C)NCOCc1ccccc1 2230a_100000707721_100000763385 [0,1,1,0,0,0|1,0,0]=3 3929 B14R1.716 C#CC(C)NCOCc1ccccc1 34a_100000707721_100000763385 [0,1,1,0,0,0|1,0,0]=3 3930 B14R1.716 C#CC(C)NCSCc1ccccc1 2230a_100000707721_200011217039 [0,1,1,0,0,0|1,0,0]=3 3931 B14R1.716 C#CC(C)NCSCc1ccccc1 34a_100000707721_200011217039 [0,1,1,0,0,0|1,0,0]=3 3932 B14R1.716 C#CC(C)OCCCc1ccccc1 34a_100000210828_200000035995 [0,1,1,0,0,0|1,0,0]=3 3933 B14R1.716 C#CC(C)OCCCc1ccccn1 34a_100011215068_200000035995 [0,1,1,0,0,0|2,0,0]=4 3934 B14R1.716 C#CC(C)OCCCc1cccnc1 34a_100000211284_200000035995 [0,1,1,0,0,0|2,0,0]=4 3935 B14R1.716 C#CC(C)OCCCc1ccncc1 34a_100000210659_200000035995 [0,1,1,0,0,0|2,0,0]=4 3936 B14R1.716 C#CC(C)OCCNc1ccccc1 34a_100000211345_200000035995 [0,1,1,0,0,0|2,0,0]=4 3937 B14R1.716 C#CC(C)OCCOc1ccccc1 34a_100000210260_200000035995 [0,1,1,0,0,0|2,0,0]=4 3938 B14R1.716 C#CC(C)SCCCc1ccccc1 62a_200000035995_100000211621 [0,1,1,0,0,0|1,0,0]=3 3939 B14R1.716 C#CC(C)SCCOc1ccccc1 62a_200000035995_100000184471 [0,1,1,0,0,0|2,0,0]=4 3940 B14R1.716 C#CC(C)SCCSc1ccccc1 62a_200000035995_100000246102 [0,1,1,0,0,0|2,0,0]=4 3941 B14R1.716 C#CC(C)SCOCc1ccccc1 62a_200000035995_100000763385 [0,1,1,0,0,0|2,0,0]=4 3942 B14R1.716 C#CC(C)SCSCc1ccccc1 62a_200000035995_200011217039 [0,1,1,0,0,0|2,0,0]=4 3943 B14R1.716 C#C[C@@H](C)OCCCc1ccccc1 34a_100009815206_100000211621 [0,1,1,0,0,0|1,0,0]=3 3944 B14R1.716 C#C[C@@H](C)OCCCc1ccccc1 7a_100009815206_100000211621 [0,1,1,0,0,0|1,0,0]=3 3945 B14R1.716 C#C[C@@H](C)OCCOc1ccccc1 34a_100009815206_100000184471 [0,1,1,0,0,0|2,0,0]=4 3946 B14R1.716 C#C[C@@H](C)OCCOc1ccccc1 7a_100009815206_100000184471 [0,1,1,0,0,0|2,0,0]=4 3947 B14R1.716 C#C[C@@H](C)OCCSc1ccccc1 34a_100009815206_100000246102 [0,1,1,0,0,0|2,0,0]=4 3948 B14R1.716 C#C[C@@H](C)OCCSc1ccccc1 7a_100009815206_100000246102 [0,1,1,0,0,0|2,0,0]=4 3949 B14R1.716 C#C[C@@H](C)OCOCc1ccccc1 34a_100009815206_100000763385 [0,1,1,0,0,0|2,0,0]=4 3950 B14R1.716 C#C[C@@H](C)OCSCc1ccccc1 34a_100009815206_200011217039 [0,1,1,0,0,0|2,0,0]=4 3951 B14R1.716 CC(C#N)NCCCc1ccccc1 2230a_100000211184_100000184139 [0,1,1,0,0,0|1,0,0]=3 3952 B14R1.716 CC(C#N)NCCCc1ccccc1 2230a_100000737613_100000211621 [0,1,1,0,0,0|1,0,0]=3 3953 B14R1.716 CC(C#N)NCCCc1cccnc1 2230a_100011532358_100000184139 [0,1,1,0,0,0|2,0,0]=4 3954 B14R1.716 CC(C#N)NCCCc1ccncc1 2230a_100011275580_100000184139 [0,1,1,0,0,0|2,0,0]=4 3955 B14R1.716 CC(C#N)NCCOc1ccccc1 2230a_100000174943_100000184139 [0,1,1,0,0,0|2,0,0]=4 3956 B14R1.716 CC(C#N)NCCOc1ccccc1 2230a_100000737613_100000184471 [0,1,1,0,0,0|2,0,0]=4 3957 B14R1.716 CC(C#N)NCCSc1ccccc1 2230a_100000189519_100000184139 [0,1,1,0,0,0|2,0,0]=4 3958 B14R1.716 CC(C#N)NCCSc1ccccc1 2230a_100000737613_100000246102 [0,1,1,0,0,0|2,0,0]=4 3959 B14R1.716 CC(C#N)NCOCc1ccccc1 2230a_100000737613_100000763385 [0,1,1,0,0,0|2,0,0]=4 3960 B14R1.716 CC(C#N)NCSCc1ccccc1 2230a_100000737613_200011217039 [0,1,1,0,0,0|2,0,0]=4 3961 B14R1.716 CC(C#N)OCCCc1ccccc1 34a_100011218135_100000211621 [0,1,1,0,0,0|2,0,0]=4 3962 B14R1.716 CC(C#N)OCCCc1ccccc1 7a_100000210828_100000703298 [0,1,1,0,0,0|2,0,0]=4 3963 B14R1.716 CC(C#N)SCCCc1ccccc1 62a_100000211621_100000703298 [0,1,1,0,0,0|2,0,0]=4 3964 B14R1.716 CC(C#N)SCCCc1ccccc1 62a_100000703298_100000211621 [0,1,1,0,0,0|2,0,0]=4 3965 B14R1.716 CC(CO)NCCCc1ccccc1 2230a_100000211184_100012180447 [0,1,1,0,0,0|1,0,1]=4 3966 B14R1.716 CC(CO)NCCCc1ccccc1 34a_100000211184_100012180447 [0,1,1,0,0,0|1,0,1]=4 3967 B14R1.716 CCC(C)NCCCc1ccccc1 2230a_100000209981_100000211621 [0,1,1,0,0,0|0,0,2]=4 3968 B14R1.716 CCC(C)NCCCc1ccccc1 2230a_100000211184_100000758301 [0,1,1,0,0,0|0,0,2]=4 3969 B14R1.716 CCC(C)NCCCc1ccccc1 34a_100000211184_100011215416 [0,1,1,0,0,0|0,0,2]=4 3970 B14R1.716 C[C@H](CO)NCCCc1ccccc1 2230a_100000737577_100000211621 [0,1,1,0,0,0|1,0,1]=4 3971 B14R1.716 N#CC(F)SCCCc1ccccc1 62a_100000211621_200000117898 [0,1,1,0,0,0|2,0,0]=4 3972 B14R1.716 N#CC(F)SCCCc1ccccc1 62a_200000117898_100000211621 [0,1,1,0,0,0|2,0,0]=4 3973 B14R1.882 C#CCCCCNc1ccccc1Br 34a_100000210017_100010269958 [0,1,1,0,0,0|2,0,0]=4 3974 B14R1.882 C#CCCCCNc1ccccc1C 34a_100015192222_100010269958 [0,1,1,0,0,0|2,0,0]=4 3975 B14R1.882 C#CCCCCNc1ccccc1Cl 34a_100000185783_100010269958 [0,1,1,0,0,0|2,0,0]=4 3976 B14R1.882 C#CCCCCNc1ccccc1F 34a_100000210422_100010269958 [0,1,1,0,0,0|2,0,0]=4 3977 B14R1.882 C#CCCCCNc1ccccc1I 34a_100000210053_100010269958 [0,1,1,0,0,0|2,0,0]=4 3978 B14R1.882 C#CCCCCNc1ccccc1O 34a_100000185747_100010269958 [0,1,1,0,0,0|2,0,0]=4 3979 B14R1.882 C#CCCCCOc1ccccc1Br 34a_100000181306_100010269958 [0,1,1,0,0,0|2,0,0]=4 3980 B14R1.882 C#CCCCCOc1ccccc1Br 7a_100000181306_100010269958 [0,1,1,0,0,0|2,0,0]=4 3981 B14R1.882 C#CCCCCOc1ccccc1C 34a_100000210338_100010269958 [0,1,1,0,0,0|2,0,0]=4 3982 B14R1.882 C#CCCCCOc1ccccc1C 7a_100000210338_100010269958 [0,1,1,0,0,0|2,0,0]=4 3983 B14R1.882 C#CCCCCOc1ccccc1Cl 34a_100000210172_100010269958 [0,1,1,0,0,0|2,0,0]=4 3984 B14R1.882 C#CCCCCOc1ccccc1Cl 7a_100000210172_100010269958 [0,1,1,0,0,0|2,0,0]=4 3985 B14R1.882 C#CCCCCOc1ccccc1F 34a_100000210171_100010269958 [0,1,1,0,0,0|2,0,0]=4 3986 B14R1.882 C#CCCCCOc1ccccc1F 7a_100000210171_100010269958 [0,1,1,0,0,0|2,0,0]=4 3987 B14R1.882 C#CCCCCOc1ccccc1I 34a_100000739446_100010269958 [0,1,1,0,0,0|2,0,0]=4 3988 B14R1.882 C#CCCCCOc1ccccc1I 7a_100000739446_100010269958 [0,1,1,0,0,0|2,0,0]=4 3989 B14R1.882 C#CCCCCOc1ccccc1N 34a_100000185747_100010269958 [0,1,1,0,0,0|2,0,0]=4 3990 B14R1.882 C#CCCCCOc1ccccc1N 7a_100000185747_100010269958 [0,1,1,0,0,0|2,0,0]=4 3991 B14R1.882 C#CCCCCSc1ccccc1Br 62a_100000695589_100010269958 [0,1,1,0,0,0|2,0,0]=4 3992 B14R1.882 C#CCCCCSc1ccccc1Br 62a_100010269958_100000695589 [0,1,1,0,0,0|2,0,0]=4 3993 B14R1.882 C#CCCCCSc1ccccc1C 62a_100000210755_100010269958 [0,1,1,0,0,0|2,0,0]=4 3994 B14R1.882 C#CCCCCSc1ccccc1C 62a_100010269958_100000210755 [0,1,1,0,0,0|2,0,0]=4 3995 B14R1.882 C#CCCCCSc1ccccc1Cl 62a_100000764095_100010269958 [0,1,1,0,0,0|2,0,0]=4 3996 B14R1.882 C#CCCCCSc1ccccc1Cl 62a_100010269958_100000764095 [0,1,1,0,0,0|2,0,0]=4 3997 B14R1.882 C#CCCCCSc1ccccc1F 62a_100010269958_100011215700 [0,1,1,0,0,0|2,0,0]=4 3998 B14R1.882 C#CCCCCSc1ccccc1F 62a_100011215700_100010269958 [0,1,1,0,0,0|2,0,0]=4 3999 B14R1.882 C#CCCCCSc1ccccc1N 62a_100000210017_100010269958 [0,1,1,0,0,0|2,0,0]=4 4000 B14R1.882 C#CCCCCSc1ccccc1N 62a_100010269958_100000210017 [0,1,1,0,0,0|2,0,0]=4 4001 B14R1.882 C#CCCCCSc1ccccc1O 62a_100000739446_100010269958 [0,1,1,0,0,0|2,0,0]=4 4002 B14R1.882 C#CCCCCSc1ccccc1O 62a_100010269958_100000739446 [0,1,1,0,0,0|2,0,0]=4 4003 B14R1.882 C#CCCCNCc1ccccc1Br 207a_100000718082_100000211189 [0,1,1,0,0,0|2,0,0]=4 4004 B14R1.882 C#CCCCNCc1ccccc1Br 2230a_100000689332_100000731252 [0,1,1,0,0,0|2,0,0]=4 4005 B14R1.882 C#CCCCNCc1ccccc1Br 270004a_100000718082_100000211189 [0,1,1,0,0,0|2,0,0]=4 4006 B14R1.882 C#CCCCNCc1ccccc1Br 34a_100000689332_100000695029 [0,1,1,0,0,0|2,0,0]=4 4007 B14R1.882 C#CCCCNCc1ccccc1Br 34a_100000718082_100000184730 [0,1,1,0,0,0|2,0,0]=4 4008 B14R1.882 C#CCCCNCc1ccccc1C 207a_100000718082_100000211143 [0,1,1,0,0,0|2,0,0]=4 4009 B14R1.882 C#CCCCNCc1ccccc1C 270004a_100000718082_100000211143 [0,1,1,0,0,0|2,0,0]=4 4010 B14R1.882 C#CCCCNCc1ccccc1C 34a_100000174972_100000695029 [0,1,1,0,0,0|2,0,0]=4 4011 B14R1.882 C#CCCCNCc1ccccc1C 34a_100000718082_100000211839 [0,1,1,0,0,0|2,0,0]=4 4012 B14R1.882 C#CCCCNCc1ccccc1Cl 207a_100000718082_100000210073 [0,1,1,0,0,0|2,0,0]=4 4013 B14R1.882 C#CCCCNCc1ccccc1Cl 2230a_100000174879_100000731252 [0,1,1,0,0,0|2,0,0]=4 4014 B14R1.882 C#CCCCNCc1ccccc1Cl 270004a_100000718082_100000210073 [0,1,1,0,0,0|2,0,0]=4 4015 B14R1.882 C#CCCCNCc1ccccc1Cl 34a_100000174879_100000695029 [0,1,1,0,0,0|2,0,0]=4 4016 B14R1.882 C#CCCCNCc1ccccc1Cl 34a_100000718082_100000187162 [0,1,1,0,0,0|2,0,0]=4 4017 B14R1.882 C#CCCCNCc1ccccc1F 207a_100000718082_100000210811 [0,1,1,0,0,0|2,0,0]=4 4018 B14R1.882 C#CCCCNCc1ccccc1F 270004a_100000718082_100000210811 [0,1,1,0,0,0|2,0,0]=4 4019 B14R1.882 C#CCCCNCc1ccccc1F 34a_100000174869_100000695029 [0,1,1,0,0,0|2,0,0]=4 4020 B14R1.882 C#CCCCNCc1ccccc1F 34a_100000718082_100000211605 [0,1,1,0,0,0|2,0,0]=4 4021 B14R1.882 C#CCCCNCc1ccccc1I 207a_100000718082_100000010305 [0,1,1,0,0,0|2,0,0]=4 4022 B14R1.882 C#CCCCNCc1ccccc1I 270004a_100000718082_100000010305 [0,1,1,0,0,0|2,0,0]=4 4023 B14R1.882 C#CCCCNCc1ccccc1I 34a_100000718082_100011215278 [0,1,1,0,0,0|2,0,0]=4 4024 B14R1.882 C#CCCCNCc1ccccc1O 34a_100000185550_100000695029 [0,1,1,0,0,0|2,0,0]=4 4025 B14R1.882 C#CCCCOCc1ccccc1Br 34a_100000215630_100000184730 [0,1,1,0,0,0|2,0,0]=4 4026 B14R1.882 C#CCCCOCc1ccccc1Br 34a_100000756307_100000695029 [0,1,1,0,0,0|2,0,0]=4 4027 B14R1.882 C#CCCCOCc1ccccc1Br 7a_100000215630_100000184730 [0,1,1,0,0,0|2,0,0]=4 4028 B14R1.882 C#CCCCOCc1ccccc1Br 7a_100000756307_100011215417 [0,1,1,0,0,0|2,0,0]=4 4029 B14R1.882 C#CCCCOCc1ccccc1C 34a_100000215630_100000211839 [0,1,1,0,0,0|2,0,0]=4 4030 B14R1.882 C#CCCCOCc1ccccc1C 34a_100000698903_100000695029 [0,1,1,0,0,0|2,0,0]=4 4031 B14R1.882 C#CCCCOCc1ccccc1C 7a_100000215630_100000211839 [0,1,1,0,0,0|2,0,0]=4 4032 B14R1.882 C#CCCCOCc1ccccc1C 7a_100000698903_100011215417 [0,1,1,0,0,0|2,0,0]=4 4033 B14R1.882 C#CCCCOCc1ccccc1Cl 34a_100000210847_100000695029 [0,1,1,0,0,0|2,0,0]=4 4034 B14R1.882 C#CCCCOCc1ccccc1Cl 34a_100000215630_100000187162 [0,1,1,0,0,0|2,0,0]=4 4035 B14R1.882 C#CCCCOCc1ccccc1Cl 7a_100000210847_100011215417 [0,1,1,0,0,0|2,0,0]=4 4036 B14R1.882 C#CCCCOCc1ccccc1Cl 7a_100000215630_100000187162 [0,1,1,0,0,0|2,0,0]=4 4037 B14R1.882 C#CCCCOCc1ccccc1F 34a_100000211962_100000695029 [0,1,1,0,0,0|2,0,0]=4 4038 B14R1.882 C#CCCCOCc1ccccc1F 34a_100000215630_100000211605 [0,1,1,0,0,0|2,0,0]=4 4039 B14R1.882 C#CCCCOCc1ccccc1F 7a_100000211962_100011215417 [0,1,1,0,0,0|2,0,0]=4 4040 B14R1.882 C#CCCCOCc1ccccc1F 7a_100000215630_100000211605 [0,1,1,0,0,0|2,0,0]=4 4041 B14R1.882 C#CCCCOCc1ccccc1I 34a_100000187465_100000695029 [0,1,1,0,0,0|2,0,0]=4 4042 B14R1.882 C#CCCCOCc1ccccc1I 34a_100000215630_100011215278 [0,1,1,0,0,0|2,0,0]=4 4043 B14R1.882 C#CCCCOCc1ccccc1I 7a_100000187465_100011215417 [0,1,1,0,0,0|2,0,0]=4 4044 B14R1.882 C#CCCCOCc1ccccc1I 7a_100000215630_100011215278 [0,1,1,0,0,0|2,0,0]=4 4045 B14R1.882 C#CCCCOCc1ccccc1N 34a_100000212039_100000695029 [0,1,1,0,0,0|2,0,0]=4 4046 B14R1.882 C#CCCCSCc1ccccc1Br 62a_100000184730_100011215417 [0,1,1,0,0,0|2,0,0]=4 4047 B14R1.882 C#CCCCSCc1ccccc1Br 62a_100011215417_100000184730 [0,1,1,0,0,0|2,0,0]=4 4048 B14R1.882 C#CCCCSCc1ccccc1C 62a_100000211839_100011215417 [0,1,1,0,0,0|2,0,0]=4 4049 B14R1.882 C#CCCCSCc1ccccc1C 62a_100011215417_100000211839 [0,1,1,0,0,0|2,0,0]=4 4050 B14R1.882 C#CCCCSCc1ccccc1Cl 62a_100000187162_100011215417 [0,1,1,0,0,0|2,0,0]=4 4051 B14R1.882 C#CCCCSCc1ccccc1Cl 62a_100011215417_100000187162 [0,1,1,0,0,0|2,0,0]=4 4052 B14R1.882 C#CCCCSCc1ccccc1F 62a_100000211605_100011215417 [0,1,1,0,0,0|2,0,0]=4 4053 B14R1.882 C#CCCCSCc1ccccc1F 62a_100011215417_100000211605 [0,1,1,0,0,0|2,0,0]=4 4054 B14R1.882 C#CCCCSCc1ccccc1I 62a_100011215417_100011216222 [0,1,1,0,0,0|2,0,0]=4 4055 B14R1.882 C#CCCCSCc1ccccc1I 62a_100011216222_100011215417 [0,1,1,0,0,0|2,0,0]=4 4056 B14R1.882 C#CCCNCCc1ccccc1Br 2230a_100000747383_100000688953 [0,1,1,0,0,0|2,0,0]=4 4057 B14R1.882 C#CCCNCCc1ccccc1Br 34a_100000747383_100000688953 [0,1,1,0,0,0|2,0,0]=4 4058 B14R1.882 C#CCCNCCc1ccccc1Br 34a_100000755551_100012161201 [0,1,1,0,0,0|2,0,0]=4 4059 B14R1.882 C#CCCNCCc1ccccc1C 2230a_100000685071_100000688953 [0,1,1,0,0,0|2,0,0]=4 4060 B14R1.882 C#CCCNCCc1ccccc1C 34a_100000685071_100000688953 [0,1,1,0,0,0|2,0,0]=4 4061 B14R1.882 C#CCCNCCc1ccccc1C 34a_100000755551_100011713688 [0,1,1,0,0,0|2,0,0]=4 4062 B14R1.882 C#CCCNCCc1ccccc1Cl 2230a_100011207228_100000688953 [0,1,1,0,0,0|2,0,0]=4 4063 B14R1.882 C#CCCNCCc1ccccc1Cl 34a_100000755551_100011713703 [0,1,1,0,0,0|2,0,0]=4 4064 B14R1.882 C#CCCNCCc1ccccc1Cl 34a_100011207228_100000688953 [0,1,1,0,0,0|2,0,0]=4 4065 B14R1.882 C#CCCNCCc1ccccc1F 2230a_100000185272_100000688953 [0,1,1,0,0,0|2,0,0]=4 4066 B14R1.882 C#CCCNCCc1ccccc1F 34a_100000185272_100000688953 [0,1,1,0,0,0|2,0,0]=4 4067 B14R1.882 C#CCCNCCc1ccccc1F 34a_100000755551_100000720011 [0,1,1,0,0,0|2,0,0]=4 4068 B14R1.882 C#CCCNCCc1ccccc1O 34a_100000755551_100000722297 [0,1,1,0,0,0|2,0,0]=4 4069 B14R1.882 C#CCCNCCc1ccccc1O 34a_100011207237_100000688953 [0,1,1,0,0,0|2,0,0]=4 4070 B14R1.882 C#CCCOCCc1ccccc1Br 34a_100000731337_100000688953 [0,1,1,0,0,0|2,0,0]=4 4071 B14R1.882 C#CCCOCCc1ccccc1Br 34a_100011215631_100012161201 [0,1,1,0,0,0|2,0,0]=4 4072 B14R1.882 C#CCCOCCc1ccccc1Br 7a_100000731337_100000688953 [0,1,1,0,0,0|2,0,0]=4 4073 B14R1.882 C#CCCOCCc1ccccc1C 34a_100011215631_100011713688 [0,1,1,0,0,0|2,0,0]=4 4074 B14R1.882 C#CCCOCCc1ccccc1C 34a_100011220023_100000688953 [0,1,1,0,0,0|2,0,0]=4 4075 B14R1.882 C#CCCOCCc1ccccc1C 7a_100011220023_100000688953 [0,1,1,0,0,0|2,0,0]=4 4076 B14R1.882 C#CCCOCCc1ccccc1Cl 34a_100011215284_100000688953 [0,1,1,0,0,0|2,0,0]=4 4077 B14R1.882 C#CCCOCCc1ccccc1Cl 34a_100011215631_100011713703 [0,1,1,0,0,0|2,0,0]=4 4078 B14R1.882 C#CCCOCCc1ccccc1Cl 7a_100011215284_100000688953 [0,1,1,0,0,0|2,0,0]=4 4079 B14R1.882 C#CCCOCCc1ccccc1F 34a_100000753711_100000688953 [0,1,1,0,0,0|2,0,0]=4 4080 B14R1.882 C#CCCOCCc1ccccc1F 34a_100011215631_100000720011 [0,1,1,0,0,0|2,0,0]=4 4081 B14R1.882 C#CCCOCCc1ccccc1F 7a_100000753711_100000688953 [0,1,1,0,0,0|2,0,0]=4 4082 B14R1.882 C#CCCOCCc1ccccc1I 34a_100010255290_100000688953 [0,1,1,0,0,0|2,0,0]=4 4083 B14R1.882 C#CCCOCCc1ccccc1I 7a_100010255290_100000688953 [0,1,1,0,0,0|2,0,0]=4 4084 B14R1.882 C#CCCOCCc1ccccc1N 34a_100011215289_100000688953 [0,1,1,0,0,0|2,0,0]=4 4085 B14R1.882 C#CCCOCCc1ccccc1O 34a_100011215631_100000722297 [0,1,1,0,0,0|2,0,0]=4 4086 B14R1.882 C#CCCSCCc1ccccc1Br 62a_100000688953_100012161201 [0,1,1,0,0,0|2,0,0]=4 4087 B14R1.882 C#CCCSCCc1ccccc1Br 62a_100012161201_100000688953 [0,1,1,0,0,0|2,0,0]=4 4088 B14R1.882 C#CCCSCCc1ccccc1C 62a_100000688953_100011713688 [0,1,1,0,0,0|2,0,0]=4 4089 B14R1.882 C#CCCSCCc1ccccc1C 62a_100011713688_100000688953 [0,1,1,0,0,0|2,0,0]=4 4090 B14R1.882 C#CCCSCCc1ccccc1Cl 62a_100000688953_100011713703 [0,1,1,0,0,0|2,0,0]=4 4091 B14R1.882 C#CCCSCCc1ccccc1Cl 62a_100011713703_100000688953 [0,1,1,0,0,0|2,0,0]=4 4092 B14R1.882 C#CCCSCCc1ccccc1F 62a_100000688953_100011713696 [0,1,1,0,0,0|2,0,0]=4 4093 B14R1.882 C#CCCSCCc1ccccc1F 62a_100011713696_100000688953 [0,1,1,0,0,0|2,0,0]=4 4094 B14R1.882 C#CCCSCCc1ccccc1O 62a_100000688953_100000722297 [0,1,1,0,0,0|2,0,0]=4 4095 B14R1.882 C#CCCSCCc1ccccc1O 62a_100000722297_100000688953 [0,1,1,0,0,0|2,0,0]=4 4096 B14R1.882 C#CCNCC#Cc1ccccc1Br 34a_100000212058_100010706765 [0,1,1,0,0,0|0,0,2]=4 4097 B14R1.882 C#CCNCC#Cc1ccccc1F 34a_100000212058_100010404167 [0,1,1,0,0,0|0,0,2]=4 4098 B14R1.882 C#CCNCCCc1ccccc1Br 34a_100000212058_200011713681 [0,1,1,0,0,0|0,0,0]=2 4099 B14R1.882 C#CCNCCCc1ccccc1F 2230a_100000724733_100000038162 [0,1,1,0,0,0|0,0,0]=2 4100 B14R1.882 C#CCNCCCc1ccccc1F 34a_100000724733_100000184674 [0,1,1,0,0,0|0,0,0]=2 4101 B14R1.882 C#CCNCCOc1ccccc1Br 2230a_100000744007_100000038162 [0,1,1,0,0,0|1,0,0]=3 4102 B14R1.882 C#CCNCCOc1ccccc1Br 34a_100000212058_100000695877 [0,1,1,0,0,0|1,0,0]=3 4103 B14R1.882 C#CCNCCOc1ccccc1Br 34a_100000744007_100000184674 [0,1,1,0,0,0|1,0,0]=3 4104 B14R1.882 C#CCNCCOc1ccccc1C 2230a_100000743344_100000038162 [0,1,1,0,0,0|1,0,0]=3 4105 B14R1.882 C#CCNCCOc1ccccc1C 34a_100000212058_100000184434 [0,1,1,0,0,0|1,0,0]=3 4106 B14R1.882 C#CCNCCOc1ccccc1C 34a_100000743344_100000184674 [0,1,1,0,0,0|1,0,0]=3 4107 B14R1.882 C#CCNCCOc1ccccc1Cl 2230a_100000174932_100000038162 [0,1,1,0,0,0|1,0,0]=3 4108 B14R1.882 C#CCNCCOc1ccccc1Cl 34a_100000174932_100000184674 [0,1,1,0,0,0|1,0,0]=3 4109 B14R1.882 C#CCNCCOc1ccccc1F 2230a_100000683764_100000038162 [0,1,1,0,0,0|1,0,0]=3 4110 B14R1.882 C#CCNCCOc1ccccc1F 34a_100000212058_100000183290 [0,1,1,0,0,0|1,0,0]=3 4111 B14R1.882 C#CCNCCOc1ccccc1F 34a_100000683764_100000184674 [0,1,1,0,0,0|1,0,0]=3 4112 B14R1.882 C#CCOCCCc1ccccc1Br 34a_100000210247_200011713681 [0,1,1,0,0,0|1,0,0]=3 4113 B14R1.882 C#CCOCCCc1ccccc1Br 34a_100000699526_100000184674 [0,1,1,0,0,0|1,0,0]=3 4114 B14R1.882 C#CCOCCCc1ccccc1Br 7a_100000699526_100000038162 [0,1,1,0,0,0|1,0,0]=3 4115 B14R1.882 C#CCOCCCc1ccccc1Cl 34a_100011709251_100000184674 [0,1,1,0,0,0|1,0,0]=3 4116 B14R1.882 C#CCOCCCc1ccccc1Cl 7a_100011709251_100000038162 [0,1,1,0,0,0|1,0,0]=3 4117 B14R1.882 C#CCOCCCc1ccccc1F 34a_100011709249_100000184674 [0,1,1,0,0,0|1,0,0]=3 4118 B14R1.882 C#CCOCCCc1ccccc1F 7a_100011709249_100000038162 [0,1,1,0,0,0|1,0,0]=3 4119 B14R1.882 C#CCOCCNc1ccccc1Br 34a_100000210017_100010402529 [0,1,1,0,0,0|2,0,0]=4 4120 B14R1.882 C#CCOCCNc1ccccc1C 34a_100011233185_100000184674 [0,1,1,0,0,0|2,0,0]=4 4121 B14R1.882 C#CCOCCNc1ccccc1C 34a_100015192222_100010402529 [0,1,1,0,0,0|2,0,0]=4 4122 B14R1.882 C#CCOCCNc1ccccc1Cl 34a_100000185783_100010402529 [0,1,1,0,0,0|2,0,0]=4 4123 B14R1.882 C#CCOCCNc1ccccc1F 34a_100000210422_100010402529 [0,1,1,0,0,0|2,0,0]=4 4124 B14R1.882 C#CCOCCNc1ccccc1I 34a_100000210053_100010402529 [0,1,1,0,0,0|2,0,0]=4 4125 B14R1.882 C#CCOCCNc1ccccc1N 34a_100000683943_100000184674 [0,1,1,0,0,0|2,0,0]=4 4126 B14R1.882 C#CCOCCNc1ccccc1O 34a_100000185747_100010402529 [0,1,1,0,0,0|2,0,0]=4 4127 B14R1.882 C#CCOCCOc1ccccc1Br 34a_100000181306_100010402529 [0,1,1,0,0,0|2,0,0]=4 4128 B14R1.882 C#CCOCCOc1ccccc1Br 34a_100000210247_100000695877 [0,1,1,0,0,0|2,0,0]=4 4129 B14R1.882 C#CCOCCOc1ccccc1Br 34a_100000230753_100000184674 [0,1,1,0,0,0|2,0,0]=4 4130 B14R1.882 C#CCOCCOc1ccccc1Br 7a_100000181306_100010402529 [0,1,1,0,0,0|2,0,0]=4 4131 B14R1.882 C#CCOCCOc1ccccc1Br 7a_100000230753_100000038162 [0,1,1,0,0,0|2,0,0]=4 4132 B14R1.882 C#CCOCCOc1ccccc1C 34a_100000210247_100000184434 [0,1,1,0,0,0|2,0,0]=4 4133 B14R1.882 C#CCOCCOc1ccccc1C 34a_100000210338_100010402529 [0,1,1,0,0,0|2,0,0]=4 4134 B14R1.882 C#CCOCCOc1ccccc1C 7a_100000210338_100010402529 [0,1,1,0,0,0|2,0,0]=4 4135 B14R1.882 C#CCOCCOc1ccccc1Cl 34a_100000210172_100010402529 [0,1,1,0,0,0|2,0,0]=4 4136 B14R1.882 C#CCOCCOc1ccccc1Cl 34a_200000230518_100000184674 [0,1,1,0,0,0|2,0,0]=4 4137 B14R1.882 C#CCOCCOc1ccccc1Cl 7a_100000210172_100010402529 [0,1,1,0,0,0|2,0,0]=4 4138 B14R1.882 C#CCOCCOc1ccccc1Cl 7a_200000230518_100000038162 [0,1,1,0,0,0|2,0,0]=4 4139 B14R1.882 C#CCOCCOc1ccccc1F 34a_100000210171_100010402529 [0,1,1,0,0,0|2,0,0]=4 4140 B14R1.882 C#CCOCCOc1ccccc1F 34a_100000210247_100000183290 [0,1,1,0,0,0|2,0,0]=4 4141 B14R1.882 C#CCOCCOc1ccccc1F 34a_100000756447_100000184674 [0,1,1,0,0,0|2,0,0]=4 4142 B14R1.882 C#CCOCCOc1ccccc1F 7a_100000210171_100010402529 [0,1,1,0,0,0|2,0,0]=4 4143 B14R1.882 C#CCOCCOc1ccccc1F 7a_100000756447_100000038162 [0,1,1,0,0,0|2,0,0]=4 4144 B14R1.882 C#CCOCCOc1ccccc1I 34a_100000739446_100010402529 [0,1,1,0,0,0|2,0,0]=4 4145 B14R1.882 C#CCOCCOc1ccccc1I 7a_100000739446_100010402529 [0,1,1,0,0,0|2,0,0]=4 4146 B14R1.882 C#CCOCCOc1ccccc1N 34a_100000185747_100010402529 [0,1,1,0,0,0|2,0,0]=4 4147 B14R1.882 C#CCOCCOc1ccccc1N 34a_100132302172_100000184674 [0,1,1,0,0,0|2,0,0]=4 4148 B14R1.882 C#CCOCCOc1ccccc1N 7a_100000185747_100010402529 [0,1,1,0,0,0|2,0,0]=4 4149 B14R1.882 C#CCOCCSc1ccccc1Br 34a_200000230852_100000184674 [0,1,1,0,0,0|2,0,0]=4 4150 B14R1.882 C#CCOCCSc1ccccc1Br 62a_100000695589_100010402529 [0,1,1,0,0,0|2,0,0]=4 4151 B14R1.882 C#CCOCCSc1ccccc1Br 62a_100010402529_100000695589 [0,1,1,0,0,0|2,0,0]=4 4152 B14R1.882 C#CCOCCSc1ccccc1Br 7a_200000230852_100000038162 [0,1,1,0,0,0|2,0,0]=4 4153 B14R1.882 C#CCOCCSc1ccccc1C 62a_100000210755_100010402529 [0,1,1,0,0,0|2,0,0]=4 4154 B14R1.882 C#CCOCCSc1ccccc1C 62a_100010402529_100000210755 [0,1,1,0,0,0|2,0,0]=4 4155 B14R1.882 C#CCOCCSc1ccccc1Cl 34a_200000230572_100000184674 [0,1,1,0,0,0|2,0,0]=4 4156 B14R1.882 C#CCOCCSc1ccccc1Cl 62a_100000764095_100010402529 [0,1,1,0,0,0|2,0,0]=4 4157 B14R1.882 C#CCOCCSc1ccccc1Cl 62a_100010402529_100000764095 [0,1,1,0,0,0|2,0,0]=4 4158 B14R1.882 C#CCOCCSc1ccccc1Cl 7a_200000230572_100000038162 [0,1,1,0,0,0|2,0,0]=4 4159 B14R1.882 C#CCOCCSc1ccccc1F 34a_200000230732_100000184674 [0,1,1,0,0,0|2,0,0]=4 4160 B14R1.882 C#CCOCCSc1ccccc1F 62a_100010402529_100011215700 [0,1,1,0,0,0|2,0,0]=4 4161 B14R1.882 C#CCOCCSc1ccccc1F 62a_100011215700_100010402529 [0,1,1,0,0,0|2,0,0]=4 4162 B14R1.882 C#CCOCCSc1ccccc1F 7a_200000230732_100000038162 [0,1,1,0,0,0|2,0,0]=4 4163 B14R1.882 C#CCOCCSc1ccccc1N 62a_100000210017_100010402529 [0,1,1,0,0,0|2,0,0]=4 4164 B14R1.882 C#CCOCCSc1ccccc1N 62a_100010402529_100000210017 [0,1,1,0,0,0|2,0,0]=4 4165 B14R1.882 C#CCOCCSc1ccccc1O 62a_100000739446_100010402529 [0,1,1,0,0,0|2,0,0]=4 4166 B14R1.882 C#CCOCCSc1ccccc1O 62a_100010402529_100000739446 [0,1,1,0,0,0|2,0,0]=4 4167 B14R1.882 C#CCSCCCc1ccccc1Br 62a_100000038162_200011713681 [0,1,1,0,0,0|1,0,0]=3 4168 B14R1.882 C#CCSCCOc1ccccc1Br 62a_100000038162_100000695877 [0,1,1,0,0,0|2,0,0]=4 4169 B14R1.882 C#CCSCCOc1ccccc1C 62a_100000038162_100000184434 [0,1,1,0,0,0|2,0,0]=4 4170 B14R1.882 C#CCSCCOc1ccccc1F 62a_100000038162_100000183290 [0,1,1,0,0,0|2,0,0]=4 4171 B14R1.882 C=CCNCCCc1ccccc1Br 2230a_100020586998_200011713681 [0,1,1,0,0,0|0,0,2]=4 4172 B14R1.882 C=CCNCCCc1ccccc1F 2230a_100000724733_100000210623 [0,1,1,0,0,0|0,0,2]=4 4173 B14R1.882 C=CCNCCCc1ccccc1F 34a_100000724733_100015514636 [0,1,1,0,0,0|0,0,2]=4 4174 B14R1.882 CCCNCCCc1ccccc1F 2230a_100000724733_100000210303 [0,1,1,0,0,0|0,0,2]=4 4175 B14R1.882 CCCNCCCc1ccccc1F 34a_100000724733_100000210303 [0,1,1,0,0,0|0,0,2]=4 4176 B14R1.882 COCNCCCc1ccccc1F 2230a_100000724733_100000766300 [0,1,1,0,0,0|1,0,1]=4 4177 B14R1.882 CSCNCCCc1ccccc1F 2230a_100000724733_100011218213 [0,1,1,0,0,0|1,0,1]=4 4178 B14R1.882 CSCNCCCc1ccccc1F 34a_100000724733_100011218213 [0,1,1,0,0,0|1,0,1]=4 4179 B14R1.882 Cc1ccccc1OCCNCC#N 2230a_100000743344_100011215382 [0,1,1,0,0,0|2,0,0]=4 4180 B14R1.882 FCCNCCCc1ccccc1Br 34a_100000724931_200011713681 [0,1,1,0,0,0|1,0,1]=4 4181 B14R1.882 FCCNCCCc1ccccc1F 2230a_100000724733_100011217306 [0,1,1,0,0,0|1,0,1]=4 4182 B14R1.882 FCCNCCCc1ccccc1F 34a_100000724733_100011217306 [0,1,1,0,0,0|1,0,1]=4 4183 B14R1.882 N#CCNCCCc1ccccc1F 2230a_100000724733_100011215382 [0,1,1,0,0,0|1,0,0]=3 4184 B14R1.882 N#CCNCCOc1ccccc1Br 2230a_100000744007_100011215382 [0,1,1,0,0,0|2,0,0]=4 4185 B14R1.882 N#CCNCCOc1ccccc1Cl 2230a_100000174932_100011215382 [0,1,1,0,0,0|2,0,0]=4 4186 B14R1.882 N#CCNCCOc1ccccc1F 2230a_100000683764_100011215382 [0,1,1,0,0,0|2,0,0]=4 4187 B14R1.882 N#CCOCCCc1ccccc1Br 7a_100000699526_100011215382 [0,1,1,0,0,0|2,0,0]=4 4188 B14R1.882 N#CCOCCCc1ccccc1Cl 7a_100011709251_100011215382 [0,1,1,0,0,0|2,0,0]=4 4189 B14R1.882 N#CCOCCCc1ccccc1F 7a_100011709249_100011215382 [0,1,1,0,0,0|2,0,0]=4 4190 B14R1.882 N#CCSCCCc1ccccc1Br 62a_100011215382_200011713681 [0,1,1,0,0,0|2,0,0]=4 4191 B14R1.882 N#CCSCCCc1ccccc1Br 62a_200011713681_100011215382 [0,1,1,0,0,0|2,0,0]=4 4192 B14R1.882 O=CCNCCCc1ccccc1F 2230a_100000724733_200015260668 [0,1,1,0,0,0|1,0,1]=4 4193 B14R1.882 O=CCNCCCc1ccccc1F 34a_100000724733_200009817547 [0,1,1,0,0,0|1,0,1]=4 4194 B14R1.882 OCCNCCCc1ccccc1Br 2230a_100016997473_200011713681 [0,1,1,0,0,0|1,0,1]=4 4195 B14R1.882 OCCNCCCc1ccccc1Br 34a_100016990907_200011713681 [0,1,1,0,0,0|1,0,1]=4 4196 B14R1.882 OCCNCCCc1ccccc1F 2230a_100000724733_100000211926 [0,1,1,0,0,0|1,0,1]=4 4197 B14R1.882 OCCNCCCc1ccccc1F 34a_100000724733_100000211926 [0,1,1,0,0,0|1,0,1]=4 4198 B14R1.96 CCc1ccccc1CNCC(C)C 207a_100000210953_100011219594 [0,1,1,0,0,0|0,0,2]=4 4199 B14R1.96 CCc1ccccc1CNCC(C)C 270004a_100000210953_100011219594 [0,1,1,0,0,0|0,0,2]=4 4200 B14R1.96 CCc1ccccc1CNCC(C)O 207a_100000210904_100011219594 [0,1,1,0,0,0|0,0,2]=4 4201 B14R1.96 CCc1ccccc1CNCC(C)O 270004a_100000210904_100011219594 [0,1,1,0,0,0|0,0,2]=4 4202 B14R1.96 CCc1ccccc1CNCC(F)F 207a_100000765723_100011219594 [0,1,1,0,0,0|1,0,1]=4 4203 B14R1.96 CCc1ccccc1CNCC(F)F 270004a_100000765723_100011219594 [0,1,1,0,0,0|1,0,1]=4 4204 B14R1.461 C#CCCNc1ccc(cc1CC)Br 2230a_100000686106_100000688953 [0,1,1,0,0,0|2,0,0]=4 4205 B14R1.461 C#CCCNc1ccc(cc1CC)Br 34a_100000686106_100000688953 [0,1,1,0,0,0|2,0,0]=4 4206 B14R1.461 C#CCCNc1ccc(cc1CC)Br 7a_100000686106_100000688953 [0,1,1,0,0,0|2,0,0]=4 4207 B14R1.461 C#CCCNc1ccc(cc1CC)Cl 2230a_100012017146_100000688953 [0,1,1,0,0,0|2,0,0]=4 4208 B14R1.461 C#CCCNc1ccc(cc1CC)Cl 34a_100012017146_100000688953 [0,1,1,0,0,0|2,0,0]=4 4209 B14R1.461 C#CCCNc1ccc(cc1CC)Cl 7a_100012017146_100000688953 [0,1,1,0,0,0|2,0,0]=4 4210 B14R1.461 C#CCCNc1ccc(cc1CC)I 2230a_100000014069_100000688953 [0,1,1,0,0,0|2,0,0]=4 4211 B14R1.461 C#CCCNc1ccc(cc1CC)I 34a_100000014069_100000688953 [0,1,1,0,0,0|2,0,0]=4 4212 B14R1.461 C#CCCNc1ccc(cc1CC)I 7a_100000014069_100000688953 [0,1,1,0,0,0|2,0,0]=4 4213 B14R1.461 C#CCCOc1ccc(cc1CC)Br 34a_100012338938_100000688953 [0,1,1,0,0,0|2,0,0]=4 4214 B14R1.461 C#CCCOc1ccc(cc1CC)Br 7a_100012338938_100000688953 [0,1,1,0,0,0|2,0,0]=4 4215 B14R1.461 C#CCCOc1ccc(cc1CC)C 34a_100009844793_100000688953 [0,1,1,0,0,0|2,0,0]=4 4216 B14R1.461 C#CCCOc1ccc(cc1CC)C 7a_100009844793_100000688953 [0,1,1,0,0,0|2,0,0]=4 4217 B14R1.461 C#CCCOc1ccc(cc1CC)F 34a_200000035566_100000688953 [0,1,1,0,0,0|2,0,0]=4 4218 B14R1.461 C#CCCOc1ccc(cc1CC)F 7a_200000035566_100000688953 [0,1,1,0,0,0|2,0,0]=4 4219 B14R1.461 C#CCCSc1ccc(cc1CC)Br 62a_100000688953_100011216195 [0,1,1,0,0,0|2,0,0]=4 4220 B14R1.461 C#CCCSc1ccc(cc1CC)Br 62a_100011216195_100000688953 [0,1,1,0,0,0|2,0,0]=4 4221 B14R1.461 C#CCCSc1ccc(cc1CC)N 62a_100000688953_100010109747 [0,1,1,0,0,0|2,0,0]=4 4222 B14R1.461 C#CCCSc1ccc(cc1CC)N 62a_100010109747_100000688953 [0,1,1,0,0,0|2,0,0]=4 4223 B14R1.461 C#CCNCc1ccc(cc1C#N)Br 34a_100000212058_100000687761 [0,1,1,0,0,0|1,0,1]=4 4224 B14R1.461 C#CCNCc1ccc(cc1C#N)Cl 34a_100000212058_100000702095 [0,1,1,0,0,0|1,0,1]=4 4225 B14R1.461 C#CCNCc1ccc(cc1C#N)F 34a_100000212058_100000751460 [0,1,1,0,0,0|1,0,1]=4 4226 B14R1.461 C#CCNCc1ccc(cc1C=O)F 34a_100000212058_100010132769 [0,1,1,0,0,0|1,0,1]=4 4227 B14R1.461 C#CCNCc1ccc(cc1OC)Br 34a_100000212058_100012359436 [0,1,1,0,0,0|1,0,0]=3 4228 B14R1.461 C#CCNCc1ccc(cc1OC)F 34a_100000062129_100000184674 [0,1,1,0,0,0|1,0,0]=3 4229 B14R1.461 C#CCNCc1ccc(cc1OC)F 34a_100000212058_200010171551 [0,1,1,0,0,0|1,0,0]=3 4230 B14R1.461 C#CCNCc1ccc(nc1OC)Br 34a_100000212058_100016029037 [0,1,1,0,0,0|2,0,0]=4 4231 B14R1.461 C#CCNCc1ccc(nc1OC)Cl 2230a_100015687481_100000038162 [0,1,1,0,0,0|2,0,0]=4 4232 B14R1.461 C#CCNCc1ccc(nc1OC)Cl 34a_100015687481_100000184674 [0,1,1,0,0,0|2,0,0]=4 4233 B14R1.461 C#CCOCc1ccc(cc1OC)Br 34a_100000210247_100012359436 [0,1,1,0,0,0|2,0,0]=4 4234 B14R1.461 C#CCOCc1ccc(cc1OC)Br 34a_100011277633_100000184674 [0,1,1,0,0,0|2,0,0]=4 4235 B14R1.461 C#CCOCc1ccc(cc1OC)Br 7a_100011277633_100000038162 [0,1,1,0,0,0|2,0,0]=4 4236 B14R1.461 C#CCOCc1ccc(cc1OC)C 34a_200012017176_100000184674 [0,1,1,0,0,0|2,0,0]=4 4237 B14R1.461 C#CCOCc1ccc(cc1OC)C 7a_200012017176_100000038162 [0,1,1,0,0,0|2,0,0]=4 4238 B14R1.461 C#CCOCc1ccc(cc1OC)Cl 34a_200011215853_100000184674 [0,1,1,0,0,0|2,0,0]=4 4239 B14R1.461 C#CCOCc1ccc(cc1OC)Cl 7a_200011215853_100000038162 [0,1,1,0,0,0|2,0,0]=4 4240 B14R1.461 C#CCOCc1ccc(cc1OC)F 34a_100000117171_100000184674 [0,1,1,0,0,0|2,0,0]=4 4241 B14R1.461 C#CCOCc1ccc(cc1OC)F 34a_100000210247_200010171551 [0,1,1,0,0,0|2,0,0]=4 4242 B14R1.461 C#CCOCc1ccc(cc1OC)F 7a_100000117171_100000038162 [0,1,1,0,0,0|2,0,0]=4 4243 B14R1.461 C#CCOCc1ccc(cc1OC)I 34a_100010233823_100000184674 [0,1,1,0,0,0|2,0,0]=4 4244 B14R1.461 C#CCOCc1ccc(cc1OC)I 7a_100010233823_100000038162 [0,1,1,0,0,0|2,0,0]=4 4245 B14R1.461 C#CCOCc1ccc(cc1OC)N 34a_100012183141_100000184674 [0,1,1,0,0,0|2,0,0]=4 4246 B14R1.461 C#CCSCc1ccc(cc1OC)Br 62a_100000038162_100012359436 [0,1,1,0,0,0|2,0,0]=4 4247 B14R1.461 C#CCSCc1ccc(cc1OC)F 62a_100000038162_200010171551 [0,1,1,0,0,0|2,0,0]=4 4248 B14R1.461 C=CCNCc1ccc(cc1CC)Br 270004a_100020586998_100010209654 [0,1,1,0,0,0|0,0,2]=4 4249 B14R1.461 CCCNCc1ccc(cc1CC)Br 207a_100020643023_100010209654 [0,1,1,0,0,0|0,0,2]=4 4250 B14R1.461 CCCNCc1ccc(cc1CC)Br 269862a_100020643023_100010209654 [0,1,1,0,0,0|0,0,2]=4 4251 B14R1.461 CCCNCc1ccc(cc1CC)Br 270004a_100020643023_100010209654 [0,1,1,0,0,0|0,0,2]=4 4252 B14R1.461 CCc1cc(ccc1CNCCF)Br 269862a_100000724931_100010209654 [0,1,1,0,0,0|1,0,1]=4 4253 B14R1.461 CCc1cc(ccc1CNCCO)Br 207a_100000210304_100010209654 [0,1,1,0,0,0|1,0,1]=4 4254 B14R1.461 CCc1cc(ccc1CNCCO)Br 269862a_100000210304_100010209654 [0,1,1,0,0,0|1,0,1]=4 4255 B14R1.461 CCc1cc(ccc1CNCCO)Br 270004a_100000210304_100010209654 [0,1,1,0,0,0|1,0,1]=4 4256 B14R1.476 C#CCCCNc1ccccc1CC 2230a_100000212081_100000731252 [0,1,1,0,0,0|1,0,0]=3 4257 B14R1.476 C#CCCCNc1ccccc1CC 34a_100000212081_100000695029 [0,1,1,0,0,0|1,0,0]=3 4258 B14R1.476 C#CCCCNc1ccccc1CC 7a_100000212081_100011215417 [0,1,1,0,0,0|1,0,0]=3 4259 B14R1.476 C#CCCCNc1ccccc1CO 34a_100000212039_100000695029 [0,1,1,0,0,0|2,0,0]=4 4260 B14R1.476 C#CCCCNc1ccccc1OC 34a_100000210025_100000695029 [0,1,1,0,0,0|2,0,0]=4 4261 B14R1.476 C#CCCCNc1ccccc1SC 34a_100000211160_100000695029 [0,1,1,0,0,0|2,0,0]=4 4262 B14R1.476 C#CCCCOc1ccccc1CC 34a_100000210936_100000695029 [0,1,1,0,0,0|1,0,0]=3 4263 B14R1.476 C#CCCCOc1ccccc1CC 7a_100000210936_100011215417 [0,1,1,0,0,0|1,0,0]=3 4264 B14R1.476 C#CCCCOc1ccccc1CN 34a_100000185550_100000695029 [0,1,1,0,0,0|2,0,0]=4 4265 B14R1.476 C#CCCCOc1ccccc1CO 34a_100011216872_100000695029 [0,1,1,0,0,0|2,0,0]=4 4266 B14R1.476 C#CCCCOc1ccccc1NC 34a_100000033821_100000695029 [0,1,1,0,0,0|2,0,0]=4 4267 B14R1.476 C#CCCCOc1ccccc1OC 34a_100000210385_100000695029 [0,1,1,0,0,0|2,0,0]=4 4268 B14R1.476 C#CCCCOc1ccccc1SC 34a_100011216402_100000695029 [0,1,1,0,0,0|2,0,0]=4 4269 B14R1.476 C#CCCCSc1ccccc1CC 62a_100011215417_100011215823 [0,1,1,0,0,0|1,0,0]=3 4270 B14R1.476 C#CCCCSc1ccccc1CC 62a_100011215823_100011215417 [0,1,1,0,0,0|1,0,0]=3 4271 B14R1.476 C#CCCCSc1ccccc1CN 62a_100000689332_100011215417 [0,1,1,0,0,0|2,0,0]=4 4272 B14R1.476 C#CCCCSc1ccccc1CN 62a_100011215417_100000689332 [0,1,1,0,0,0|2,0,0]=4 4273 B14R1.476 C#CCCCSc1ccccc1CO 62a_100000187465_100011215417 [0,1,1,0,0,0|2,0,0]=4 4274 B14R1.476 C#CCCCSc1ccccc1CO 62a_100011215417_100000187465 [0,1,1,0,0,0|2,0,0]=4 4275 B14R1.476 C#CCCCSc1ccccc1NC 62a_100011215417_100020606079 [0,1,1,0,0,0|2,0,0]=4 4276 B14R1.476 C#CCCCSc1ccccc1NC 62a_100020606079_100011215417 [0,1,1,0,0,0|2,0,0]=4 4277 B14R1.476 C#CCCCSc1ccccc1OC 62a_100000210334_100011215417 [0,1,1,0,0,0|2,0,0]=4 4278 B14R1.476 C#CCCCSc1ccccc1OC 62a_100011215417_100000210334 [0,1,1,0,0,0|2,0,0]=4 4279 B14R1.476 C#CCCCSc1ccccc1SC 62a_100011215417_100011217816 [0,1,1,0,0,0|2,0,0]=4 4280 B14R1.476 C#CCCCSc1ccccc1SC 62a_100011217816_100011215417 [0,1,1,0,0,0|2,0,0]=4 4281 B14R1.476 C#CCCCSc1cccnc1CC 62a_100009877225_100011215417 [0,1,1,0,0,0|2,0,0]=4 4282 B14R1.476 C#CCCCSc1cccnc1CC 62a_100011215417_100009877225 [0,1,1,0,0,0|2,0,0]=4 4283 B14R1.476 C#CCCCSc1ccncc1CC 62a_100011215417_100025704421 [0,1,1,0,0,0|2,0,0]=4 4284 B14R1.476 C#CCCCSc1ccncc1CC 62a_100025704421_100011215417 [0,1,1,0,0,0|2,0,0]=4 4285 B14R1.476 C#CCCCSc1cnccc1CC 62a_100009819861_100011215417 [0,1,1,0,0,0|2,0,0]=4 4286 B14R1.476 C#CCCCSc1cnccc1CC 62a_100011215417_100009819861 [0,1,1,0,0,0|2,0,0]=4 4287 B14R1.476 C#CCCNCc1ccccc1C#C 34a_100020634229_100000688953 [0,1,1,0,0,0|0,0,2]=4 4288 B14R1.476 C#CCCNCc1ccccc1C#N 34a_100000755551_100000181865 [0,1,1,0,0,0|1,0,1]=4 4289 B14R1.476 C#CCCNCc1ccccc1C#N 34a_100016989011_100000688953 [0,1,1,0,0,0|1,0,1]=4 4290 B14R1.476 C#CCCNCc1ccccc1C=O 34a_100000755551_200009853537 [0,1,1,0,0,0|1,0,1]=4 4291 B14R1.476 C#CCCNCc1ccccc1CO 34a_100000755551_100009816955 [0,1,1,0,0,0|1,0,0]=3 4292 B14R1.476 C#CCCNCc1ccccc1OC 34a_100000188900_100000688953 [0,1,1,0,0,0|1,0,0]=3 4293 B14R1.476 C#CCCNCc1ccccc1OC 34a_100000755551_100000210004 [0,1,1,0,0,0|1,0,0]=3 4294 B14R1.476 C#CCCNCc1ccccc1SC 34a_100000755551_100000699184 [0,1,1,0,0,0|1,0,0]=3 4295 B14R1.476 C#CCCNCc1ccccc1SC 34a_102495365025_100000688953 [0,1,1,0,0,0|1,0,0]=3 4296 B14R1.476 C#CCCNCc1cccnc1OC 34a_100000755551_100020631285 [0,1,1,0,0,0|2,0,0]=4 4297 B14R1.476 C#CCCOCc1ccccc1CBr 34a_100009816955_100000688953 [0,1,1,0,0,0|2,0,0]=4 4298 B14R1.476 C#CCCOCc1ccccc1CBr 7a_100009816955_100000688953 [0,1,1,0,0,0|2,0,0]=4 4299 B14R1.476 C#CCCOCc1ccccc1CC 34a_100011663872_100000688953 [0,1,1,0,0,0|1,0,0]=3 4300 B14R1.476 C#CCCOCc1ccccc1CC 7a_100011663872_100000688953 [0,1,1,0,0,0|1,0,0]=3 4301 B14R1.476 C#CCCOCc1ccccc1CN 34a_100000743596_100000688953 [0,1,1,0,0,0|2,0,0]=4 4302 B14R1.476 C#CCCOCc1ccccc1CO 34a_100011215631_100009816955 [0,1,1,0,0,0|2,0,0]=4 4303 B14R1.476 C#CCCOCc1ccccc1OC 34a_100000211301_100000688953 [0,1,1,0,0,0|2,0,0]=4 4304 B14R1.476 C#CCCOCc1ccccc1OC 34a_100011215631_100000210004 [0,1,1,0,0,0|2,0,0]=4 4305 B14R1.476 C#CCCOCc1ccccc1SC 34a_100000699167_100000688953 [0,1,1,0,0,0|2,0,0]=4 4306 B14R1.476 C#CCCOCc1ccccc1SC 34a_100011215631_100000699184 [0,1,1,0,0,0|2,0,0]=4 4307 B14R1.476 C#CCCSCc1ccccc1CO 62a_100000688953_100009816955 [0,1,1,0,0,0|2,0,0]=4 4308 B14R1.476 C#CCCSCc1ccccc1CO 62a_100009816955_100000688953 [0,1,1,0,0,0|2,0,0]=4 4309 B14R1.476 C#CCCSCc1ccccc1OC 62a_100000210004_100000688953 [0,1,1,0,0,0|2,0,0]=4 4310 B14R1.476 C#CCCSCc1ccccc1OC 62a_100000688953_100000210004 [0,1,1,0,0,0|2,0,0]=4 4311 B14R1.476 C#CCCSCc1ccccc1SC 62a_100000688953_100000699184 [0,1,1,0,0,0|2,0,0]=4 4312 B14R1.476 C#CCCSCc1ccccc1SC 62a_100000699184_100000688953 [0,1,1,0,0,0|2,0,0]=4 4313 B14R1.476 C#CCNCCc1ccccc1C#N 34a_100000212058_200013032965 [0,1,1,0,0,0|1,0,1]=4 4314 B14R1.476 C#CCNCCc1ccccc1C=O 34a_100000212058_100010186698 [0,1,1,0,0,0|1,0,1]=4 4315 B14R1.476 C#CCNCCc1ccccc1CC 2230a_100011663701_100000038162 [0,1,1,0,0,0|0,0,0]=2 4316 B14R1.476 C#CCNCCc1ccccc1CC 34a_100011663701_100000184674 [0,1,1,0,0,0|0,0,0]=2 4317 B14R1.476 C#CCNCCc1ccccc1OC 2230a_100000211851_100000038162 [0,1,1,0,0,0|1,0,0]=3 4318 B14R1.476 C#CCNCCc1ccccc1OC 34a_100000211851_100000184674 [0,1,1,0,0,0|1,0,0]=3 4319 B14R1.476 C#CCNCCc1ccccc1OC 34a_100000212058_100011713687 [0,1,1,0,0,0|1,0,0]=3 4320 B14R1.476 C#CCNCCc1ccccc1[Pd]Cl 2230a_106741704370_100000038162 [0,1,1,0,0,0|2,0,0]=4 4321 B14R1.476 C#CCNCCc1ccccc1[Pd]Cl 34a_106741704370_100000184674 [0,1,1,0,0,0|2,0,0]=4 4322 B14R1.476 C#CCNCCc1ccccc1[Pd]Cl 7a_106741704370_100000038162 [0,1,1,0,0,0|2,0,0]=4 4323 B14R1.476 C#CCOCCc1ccccc1OC 34a_100000210247_100011713687 [0,1,1,0,0,0|2,0,0]=4 4324 B14R1.476 C#CCOCCc1ccccc1OC 34a_100011218620_100000184674 [0,1,1,0,0,0|2,0,0]=4 4325 B14R1.476 C#CCOCCc1ccccc1OC 7a_100011218620_100000038162 [0,1,1,0,0,0|2,0,0]=4 4326 B14R1.476 C#CCSCCc1ccccc1OC 62a_100000038162_100011713687 [0,1,1,0,0,0|2,0,0]=4 4327 B14R1.476 C#Cc1ccccc1CNCC#CC 34a_100020634229_100000748600 [0,1,1,0,0,0|0,0,2]=4 4328 B14R1.476 C=CCCNCc1ccccc1CC 207a_100015191253_100011219594 [0,1,1,0,0,0|0,0,2]=4 4329 B14R1.476 C=CCCNCc1ccccc1CC 270004a_100015191253_100011219594 [0,1,1,0,0,0|0,0,2]=4 4330 B14R1.476 C=CCNCCc1ccccc1CC 2230a_100011663701_100000210623 [0,1,1,0,0,0|0,0,2]=4 4331 B14R1.476 C=CCNCCc1ccccc1CC 34a_100011663701_100015514636 [0,1,1,0,0,0|0,0,2]=4 4332 B14R1.476 CC#CCNCc1ccccc1C#N 2230a_100000685387_100000181865 [0,1,1,0,0,0|1,0,1]=4 4333 B14R1.476 CC#CCNCc1ccccc1C#N 34a_100000685387_100000181865 [0,1,1,0,0,0|1,0,1]=4 4334 B14R1.476 CC#CCNCc1ccccc1C#N 34a_100016989011_100000748600 [0,1,1,0,0,0|1,0,1]=4 4335 B14R1.476 CC#CCNCc1ccccc1C=O 2230a_100000685387_200009853537 [0,1,1,0,0,0|1,0,1]=4 4336 B14R1.476 CC#CCNCc1ccccc1C=O 34a_100000685387_200009853537 [0,1,1,0,0,0|1,0,1]=4 4337 B14R1.476 CC#CCNCc1ccccc1CO 2230a_100000685387_100009816955 [0,1,1,0,0,0|1,0,0]=3 4338 B14R1.476 CC#CCNCc1ccccc1CO 34a_100000685387_100009816955 [0,1,1,0,0,0|1,0,0]=3 4339 B14R1.476 CC#CCNCc1ccccc1OC 2230a_100000685387_100000210004 [0,1,1,0,0,0|1,0,0]=3 4340 B14R1.476 CC#CCNCc1ccccc1OC 34a_100000188900_100000748600 [0,1,1,0,0,0|1,0,0]=3 4341 B14R1.476 CC#CCNCc1ccccc1OC 34a_100000685387_100000210004 [0,1,1,0,0,0|1,0,0]=3 4342 B14R1.476 CC#CCNCc1ccccc1SC 2230a_100000685387_100000699184 [0,1,1,0,0,0|1,0,0]=3 4343 B14R1.476 CC#CCNCc1ccccc1SC 34a_100000685387_100000699184 [0,1,1,0,0,0|1,0,0]=3 4344 B14R1.476 CC#CCNCc1ccccc1SC 34a_102495365025_100000748600 [0,1,1,0,0,0|1,0,0]=3 4345 B14R1.476 CC#CCNCc1cccnc1OC 2230a_100000685387_100020631285 [0,1,1,0,0,0|2,0,0]=4 4346 B14R1.476 CC#CCNCc1cccnc1OC 34a_100000685387_100020631285 [0,1,1,0,0,0|2,0,0]=4 4347 B14R1.476 CC#CCNCc1ccncc1OC 2230a_100000685387_100020635607 [0,1,1,0,0,0|2,0,0]=4 4348 B14R1.476 CC#CCOCc1ccccc1CBr 34a_100009816955_100000748600 [0,1,1,0,0,0|2,0,0]=4 4349 B14R1.476 CC#CCOCc1ccccc1CBr 7a_100009816955_100000748600 [0,1,1,0,0,0|2,0,0]=4 4350 B14R1.476 CC#CCOCc1ccccc1CC 34a_100011663872_100000748600 [0,1,1,0,0,0|1,0,0]=3 4351 B14R1.476 CC#CCOCc1ccccc1CC 7a_100011663872_100000748600 [0,1,1,0,0,0|1,0,0]=3 4352 B14R1.476 CC#CCOCc1ccccc1CN 34a_100000743596_100000748600 [0,1,1,0,0,0|2,0,0]=4 4353 B14R1.476 CC#CCOCc1ccccc1CO 34a_100000761923_100009816955 [0,1,1,0,0,0|2,0,0]=4 4354 B14R1.476 CC#CCOCc1ccccc1OC 34a_100000211301_100000748600 [0,1,1,0,0,0|2,0,0]=4 4355 B14R1.476 CC#CCOCc1ccccc1OC 34a_100000761923_100000210004 [0,1,1,0,0,0|2,0,0]=4 4356 B14R1.476 CC#CCOCc1ccccc1SC 34a_100000699167_100000748600 [0,1,1,0,0,0|2,0,0]=4 4357 B14R1.476 CC#CCOCc1ccccc1SC 34a_100000761923_100000699184 [0,1,1,0,0,0|2,0,0]=4 4358 B14R1.476 CC#CCSCc1ccccc1CO 62a_100000748600_100009816955 [0,1,1,0,0,0|2,0,0]=4 4359 B14R1.476 CC#CCSCc1ccccc1CO 62a_100009816955_100000748600 [0,1,1,0,0,0|2,0,0]=4 4360 B14R1.476 CC#CCSCc1ccccc1OC 62a_100000210004_100000748600 [0,1,1,0,0,0|2,0,0]=4 4361 B14R1.476 CC#CCSCc1ccccc1OC 62a_100000748600_100000210004 [0,1,1,0,0,0|2,0,0]=4 4362 B14R1.476 CC#CCSCc1ccccc1SC 62a_100000699184_100000748600 [0,1,1,0,0,0|2,0,0]=4 4363 B14R1.476 CC#CCSCc1ccccc1SC 62a_100000748600_100000699184 [0,1,1,0,0,0|2,0,0]=4 4364 B14R1.476 CCCCNCc1ccccc1CC 207a_100000102301_100011219594 [0,1,1,0,0,0|0,0,2]=4 4365 B14R1.476 CCCCNCc1ccccc1CC 270004a_100000102301_100011219594 [0,1,1,0,0,0|0,0,2]=4 4366 B14R1.476 CCCNCCc1ccccc1CC 2230a_100011663701_100000210303 [0,1,1,0,0,0|0,0,2]=4 4367 B14R1.476 CCCNCCc1ccccc1CC 34a_100011663701_100000210303 [0,1,1,0,0,0|0,0,2]=4 4368 B14R1.476 CCc1ccccc1CCNCC#N 2230a_100011663701_100011215382 [0,1,1,0,0,0|1,0,0]=3 4369 B14R1.476 CCc1ccccc1CCNCC=O 2230a_100011663701_200015260668 [0,1,1,0,0,0|1,0,1]=4 4370 B14R1.476 CCc1ccccc1CCNCC=O 34a_100011663701_200009817547 [0,1,1,0,0,0|1,0,1]=4 4371 B14R1.476 CCc1ccccc1CCNCCF 2230a_100011663701_100011217306 [0,1,1,0,0,0|1,0,1]=4 4372 B14R1.476 CCc1ccccc1CCNCCF 34a_100011663701_100011217306 [0,1,1,0,0,0|1,0,1]=4 4373 B14R1.476 CCc1ccccc1CCNCCO 2230a_100011663701_100000211926 [0,1,1,0,0,0|1,0,1]=4 4374 B14R1.476 CCc1ccccc1CCNCCO 34a_100011663701_100000211926 [0,1,1,0,0,0|1,0,1]=4 4375 B14R1.476 CCc1ccccc1CCNCOC 2230a_100011663701_100000766300 [0,1,1,0,0,0|1,0,1]=4 4376 B14R1.476 CCc1ccccc1CCNCSC 2230a_100011663701_100011218213 [0,1,1,0,0,0|1,0,1]=4 4377 B14R1.476 CCc1ccccc1CCNCSC 34a_100011663701_100011218213 [0,1,1,0,0,0|1,0,1]=4 4378 B14R1.476 CCc1ccccc1CNCCC#N 270004a_100000720768_100011219594 [0,1,1,0,0,0|0,0,1]=3 4379 B14R1.476 CCc1ccccc1CNCCCF 207a_100015189416_100011219594 [0,1,1,0,0,0|0,0,2]=4 4380 B14R1.476 CCc1ccccc1CNCCCF 270004a_100015189416_100011219594 [0,1,1,0,0,0|0,0,2]=4 4381 B14R1.476 CCc1ccccc1CNCCCO 207a_100000182051_100011219594 [0,1,1,0,0,0|0,0,2]=4 4382 B14R1.476 CCc1ccccc1CNCCCO 270004a_100000182051_100011219594 [0,1,1,0,0,0|0,0,2]=4 4383 B14R1.476 CCc1ccccc1CNCCOC 207a_100000209980_100011219594 [0,1,1,0,0,0|0,0,2]=4 4384 B14R1.476 CCc1ccccc1CNCCOC 270004a_100000209980_100011219594 [0,1,1,0,0,0|0,0,2]=4 4385 B14R1.476 CCc1ccccc1CNCCSC 207a_100020590264_100011219594 [0,1,1,0,0,0|0,0,2]=4 4386 B14R1.476 CCc1ccccc1CNCCSC 270004a_100020590264_100011219594 [0,1,1,0,0,0|0,0,2]=4 4387 B14R1.476 CCc1ccccc1COCCC#N 7a_100011663872_100000184422 [0,1,1,0,0,0|1,0,1]=4 4388 B14R1.476 CCc1ccccc1NCCCC#N 2230a_100000212081_100000687738 [0,1,1,0,0,0|2,0,0]=4 4389 B14R1.476 CCc1ccccc1NCCCC#N 7a_100000212081_100000687738 [0,1,1,0,0,0|2,0,0]=4 4390 B14R1.476 CCc1ccccc1OCCCC#N 7a_100000210936_100000687738 [0,1,1,0,0,0|2,0,0]=4 4391 B14R1.476 CCc1ccccc1SCCCC#N 62a_100000687738_100011215823 [0,1,1,0,0,0|2,0,0]=4 4392 B14R1.476 CCc1ccccc1SCCCC#N 62a_100011215823_100000687738 [0,1,1,0,0,0|2,0,0]=4 4393 B14R1.476 COc1ccccc1CCNCC#N 2230a_100000211851_100011215382 [0,1,1,0,0,0|2,0,0]=4 4394 B14R1.476 COc1ccccc1CNCCC#N 270004a_100000720768_100000169842 [0,1,1,0,0,0|1,0,1]=4 4395 B14R1.476 CSc1ccccc1CNCCC#N 270004a_100000720768_100011217347 [0,1,1,0,0,0|1,0,1]=4 4396 B14R1.863 C#CC(C)NCc1ccccc1C#N 2230a_100000707721_100000181865 [0,1,1,0,0,0|1,0,1]=4 4397 B14R1.863 C#CC(C)NCc1ccccc1C#N 34a_100000707721_100000181865 [0,1,1,0,0,0|1,0,1]=4 4398 B14R1.863 C#CC(C)NCc1ccccc1C#N 34a_100016989011_200000035995 [0,1,1,0,0,0|1,0,1]=4 4399 B14R1.863 C#CC(C)NCc1ccccc1C=O 2230a_100000707721_200009853537 [0,1,1,0,0,0|1,0,1]=4 4400 B14R1.863 C#CC(C)NCc1ccccc1C=O 34a_100000707721_200009853537 [0,1,1,0,0,0|1,0,1]=4 4401 B14R1.863 C#CC(C)NCc1ccccc1CC 270004a_100000707721_100011219594 [0,1,1,0,0,0|0,0,0]=2 4402 B14R1.863 C#CC(C)NCc1ccccc1CO 2230a_100000707721_100009816955 [0,1,1,0,0,0|1,0,0]=3 4403 B14R1.863 C#CC(C)NCc1ccccc1CO 34a_100000707721_100009816955 [0,1,1,0,0,0|1,0,0]=3 4404 B14R1.863 C#CC(C)NCc1ccccc1OC 2230a_100000707721_100000210004 [0,1,1,0,0,0|1,0,0]=3 4405 B14R1.863 C#CC(C)NCc1ccccc1OC 270004a_100000707721_100000169842 [0,1,1,0,0,0|1,0,0]=3 4406 B14R1.863 C#CC(C)NCc1ccccc1OC 34a_100000188900_200000035995 [0,1,1,0,0,0|1,0,0]=3 4407 B14R1.863 C#CC(C)NCc1ccccc1OC 34a_100000707721_100000210004 [0,1,1,0,0,0|1,0,0]=3 4408 B14R1.863 C#CC(C)NCc1ccccc1SC 2230a_100000707721_100000699184 [0,1,1,0,0,0|1,0,0]=3 4409 B14R1.863 C#CC(C)NCc1ccccc1SC 270004a_100000707721_100011217347 [0,1,1,0,0,0|1,0,0]=3 4410 B14R1.863 C#CC(C)NCc1ccccc1SC 34a_100000707721_100000699184 [0,1,1,0,0,0|1,0,0]=3 4411 B14R1.863 C#CC(C)NCc1ccccc1SC 34a_102495365025_200000035995 [0,1,1,0,0,0|1,0,0]=3 4412 B14R1.863 C#CC(C)NCc1cccnc1OC 2230a_100000707721_100020631285 [0,1,1,0,0,0|2,0,0]=4 4413 B14R1.863 C#CC(C)NCc1cccnc1OC 270004a_100000707721_100011290804 [0,1,1,0,0,0|2,0,0]=4 4414 B14R1.863 C#CC(C)NCc1cccnc1OC 34a_100000707721_100020631285 [0,1,1,0,0,0|2,0,0]=4 4415 B14R1.863 C#CC(C)NCc1ccncc1OC 2230a_100000707721_100020635607 [0,1,1,0,0,0|2,0,0]=4 4416 B14R1.863 C#CC(C)NCc1ccncc1OC 270004a_100000707721_100011361505 [0,1,1,0,0,0|2,0,0]=4 4417 B14R1.863 C#CC(C)NCc1cnccc1OC 270004a_100000707721_200011997045 [0,1,1,0,0,0|2,0,0]=4 4418 B14R1.863 C#CC(C)NCc1ncccc1OC 270004a_100000707721_100011912573 [0,1,1,0,0,0|2,0,0]=4 4419 B14R1.863 C#CC(C)OCc1ccccc1CBr 34a_100009816955_200000035995 [0,1,1,0,0,0|2,0,0]=4 4420 B14R1.863 C#CC(C)OCc1ccccc1CC 34a_100011663872_200000035995 [0,1,1,0,0,0|1,0,0]=3 4421 B14R1.863 C#CC(C)OCc1ccccc1CN 34a_100000743596_200000035995 [0,1,1,0,0,0|2,0,0]=4 4422 B14R1.863 C#CC(C)OCc1ccccc1OC 34a_100000211301_200000035995 [0,1,1,0,0,0|2,0,0]=4 4423 B14R1.863 C#CC(C)OCc1ccccc1SC 34a_100000699167_200000035995 [0,1,1,0,0,0|2,0,0]=4 4424 B14R1.863 C#CC(C)SCc1ccccc1CO 62a_200000035995_100009816955 [0,1,1,0,0,0|2,0,0]=4 4425 B14R1.863 C#CC(C)SCc1ccccc1OC 62a_200000035995_100000210004 [0,1,1,0,0,0|2,0,0]=4 4426 B14R1.863 C#CC(C)SCc1ccccc1SC 62a_200000035995_100000699184 [0,1,1,0,0,0|2,0,0]=4 4427 B14R1.863 C#C[C@@H](C)OCc1ccccc1CO 34a_100009815206_100009816955 [0,1,1,0,0,0|2,0,0]=4 4428 B14R1.863 C#C[C@@H](C)OCc1ccccc1CO 7a_100009815206_100009816955 [0,1,1,0,0,0|2,0,0]=4 4429 B14R1.863 C#C[C@@H](C)OCc1ccccc1OC 34a_100009815206_100000210004 [0,1,1,0,0,0|2,0,0]=4 4430 B14R1.863 C#C[C@@H](C)OCc1ccccc1OC 7a_100009815206_100000210004 [0,1,1,0,0,0|2,0,0]=4 4431 B14R1.863 C#C[C@@H](C)OCc1ccccc1SC 34a_100009815206_100000699184 [0,1,1,0,0,0|2,0,0]=4 4432 B14R1.863 C#C[C@@H](C)OCc1ccccc1SC 7a_100009815206_100000699184 [0,1,1,0,0,0|2,0,0]=4 4433 B14R1.863 C#Cc1ccccc1CNC(C)C#C 34a_100020634229_200000035995 [0,1,1,0,0,0|0,0,2]=4 4434 B14R1.863 CC(C#N)NCc1ccccc1CO 2230a_100000737613_100009816955 [0,1,1,0,0,0|2,0,0]=4 4435 B14R1.863 CCc1ccccc1CNC(C)CC 207a_100000209981_100011219594 [0,1,1,0,0,0|0,0,2]=4 4436 B14R1.863 CCc1ccccc1CNC(C)CC 270004a_100000209981_100011219594 [0,1,1,0,0,0|0,0,2]=4 4437 B14R1.863 CCc1ccccc1CN[C@H](C)CF 207a_100102880703_100011219594 [0,1,1,0,0,0|1,0,1]=4 4438 B14R1.863 CCc1ccccc1CN[C@H](C)CF 270004a_100102880703_100011219594 [0,1,1,0,0,0|1,0,1]=4 4439 B14R1.863 CCc1ccccc1CN[C@H](C)CO 207a_100000737577_100011219594 [0,1,1,0,0,0|1,0,1]=4 4440 B14R1.863 CCc1ccccc1CN[C@H](C)CO 270004a_100000737577_100011219594 [0,1,1,0,0,0|1,0,1]=4 4441 B14R1.863 CCc1ccccc1COC(C)C#N 7a_100011663872_100000703298 [0,1,1,0,0,0|2,0,0]=4 4442 B14R1.863 COc1ccccc1CNC(C)C#N 2230a_100000737613_100000210004 [0,1,1,0,0,0|2,0,0]=4 4443 B14R1.863 CSc1ccccc1CNC(C)C#N 2230a_100000737613_100000699184 [0,1,1,0,0,0|2,0,0]=4 4444 B14R1.883 C#CCCNc1cc(ccc1CC)Br 2230a_100012354963_100000688953 [0,1,1,0,0,0|2,0,0]=4 4445 B14R1.883 C#CCCNc1cc(ccc1CC)Br 34a_100012354963_100000688953 [0,1,1,0,0,0|2,0,0]=4 4446 B14R1.883 C#CCCNc1cc(ccc1CC)Br 7a_100012354963_100000688953 [0,1,1,0,0,0|2,0,0]=4 4447 B14R1.883 C#CCCNc1cc(ccc1CC)Cl 2230a_200012281948_100000688953 [0,1,1,0,0,0|2,0,0]=4 4448 B14R1.883 C#CCCNc1cc(ccc1CC)Cl 34a_200012281948_100000688953 [0,1,1,0,0,0|2,0,0]=4 4449 B14R1.883 C#CCCNc1cc(ccc1CC)Cl 7a_200012281948_100000688953 [0,1,1,0,0,0|2,0,0]=4 4450 B14R1.883 C#CCNCc1cc(ccc1C#N)Br 34a_100000212058_100000718229 [0,1,1,0,0,0|1,0,1]=4 4451 B14R1.883 C#CCNCc1cc(ccc1C#N)F 34a_100000212058_100000759424 [0,1,1,0,0,0|1,0,1]=4 4452 B14R1.883 C#CCNCc1cc(ccc1C=O)F 34a_100000212058_100010132768 [0,1,1,0,0,0|1,0,1]=4 4453 B14R1.883 C#CCNCc1cc(ccc1OC)Br 34a_100000212058_100000204665 [0,1,1,0,0,0|1,0,0]=3 4454 B14R1.883 C#CCNCc1cc(ccc1OC)Br 34a_100000690498_100000184674 [0,1,1,0,0,0|1,0,0]=3 4455 B14R1.883 C#CCNCc1cc(ccc1OC)C 34a_100000212058_100000199068 [0,1,1,0,0,0|1,0,0]=3 4456 B14R1.883 C#CCNCc1cc(ccc1OC)Cl 2230a_100000740580_100000038162 [0,1,1,0,0,0|1,0,0]=3 4457 B14R1.883 C#CCNCc1cc(ccc1OC)Cl 34a_100000212058_100000209806 [0,1,1,0,0,0|1,0,0]=3 4458 B14R1.883 C#CCNCc1cc(ccc1OC)Cl 34a_100000740580_100000184674 [0,1,1,0,0,0|1,0,0]=3 4459 B14R1.883 C#CCNCc1cc(ccc1OC)F 34a_100000212058_100011830354 [0,1,1,0,0,0|1,0,0]=3 4460 B14R1.883 C#CCNCc1cc(ccc1OC)F 34a_100011199032_100000184674 [0,1,1,0,0,0|1,0,0]=3 4461 B14R1.883 C#CCNCc1cc(cnc1OC)Br 34a_100000212058_100010065838 [0,1,1,0,0,0|2,0,0]=4 4462 B14R1.883 C#CCOCc1cc(ccc1CC)Br 34a_100010766240_100000184674 [0,1,1,0,0,0|1,0,0]=3 4463 B14R1.883 C#CCOCc1cc(ccc1CC)Br 7a_100010766240_100000038162 [0,1,1,0,0,0|1,0,0]=3 4464 B14R1.883 C#CCOCc1cc(ccc1OC)Br 34a_100000204679_100000184674 [0,1,1,0,0,0|2,0,0]=4 4465 B14R1.883 C#CCOCc1cc(ccc1OC)Br 34a_100000210247_100000204665 [0,1,1,0,0,0|2,0,0]=4 4466 B14R1.883 C#CCOCc1cc(ccc1OC)Br 7a_100000204679_100000038162 [0,1,1,0,0,0|2,0,0]=4 4467 B14R1.883 C#CCOCc1cc(ccc1OC)C 34a_100000210247_100000199068 [0,1,1,0,0,0|2,0,0]=4 4468 B14R1.883 C#CCOCc1cc(ccc1OC)C 34a_200000246444_100000184674 [0,1,1,0,0,0|2,0,0]=4 4469 B14R1.883 C#CCOCc1cc(ccc1OC)C 7a_200000246444_100000038162 [0,1,1,0,0,0|2,0,0]=4 4470 B14R1.883 C#CCOCc1cc(ccc1OC)Cl 34a_100000210247_100000209806 [0,1,1,0,0,0|2,0,0]=4 4471 B14R1.883 C#CCOCc1cc(ccc1OC)F 34a_100000210247_100011830354 [0,1,1,0,0,0|2,0,0]=4 4472 B14R1.883 C#CCOCc1cc(ccc1OC)F 34a_100011266440_100000184674 [0,1,1,0,0,0|2,0,0]=4 4473 B14R1.883 C#CCOCc1cc(ccc1OC)F 7a_100011266440_100000038162 [0,1,1,0,0,0|2,0,0]=4 4474 B14R1.883 C#CCOCc1cc(ccc1OC)I 34a_200137411115_100000184674 [0,1,1,0,0,0|2,0,0]=4 4475 B14R1.883 C#CCOCc1cc(ccc1OC)I 7a_200137411115_100000038162 [0,1,1,0,0,0|2,0,0]=4 4476 B14R1.883 C#CCSCc1cc(ccc1OC)Br 62a_100000038162_100000204665 [0,1,1,0,0,0|2,0,0]=4 4477 B14R1.883 C#CCSCc1cc(ccc1OC)C 62a_100000038162_100000199068 [0,1,1,0,0,0|2,0,0]=4 4478 B14R1.883 C#CCSCc1cc(ccc1OC)Cl 62a_100000038162_100000209806 [0,1,1,0,0,0|2,0,0]=4 4479 B14R1.883 C#CCSCc1cc(ccc1OC)F 62a_100000038162_100011830354 [0,1,1,0,0,0|2,0,0]=4 4480 B14R1.883 CCc1ccc(cc1COCC#N)Br 7a_100010766240_100011215382 [0,1,1,0,0,0|2,0,0]=4 4481 B14R1.883 COc1ccc(cc1CNCC#N)Cl 2230a_100000740580_100011215382 [0,1,1,0,0,0|2,0,0]=4 4482 B14R1.903 C#CCCNc1ccccc1C(C)C 2230a_100000210643_100000688953 [0,1,1,0,0,0|2,0,0]=4 4483 B14R1.903 C#CCCNc1ccccc1C(C)C 34a_100000210643_100000688953 [0,1,1,0,0,0|2,0,0]=4 4484 B14R1.903 C#CCCNc1ccccc1C(C)C 7a_100000210643_100000688953 [0,1,1,0,0,0|2,0,0]=4 4485 B14R1.903 C#CCCNc1ccccc1C(C)O 2230a_100011405641_100000688953 [0,1,1,0,0,0|2,0,0]=4 4486 B14R1.903 C#CCCOc1ccccc1C(C)C 34a_100000211617_100000688953 [0,1,1,0,0,0|2,0,0]=4 4487 B14R1.903 C#CCCOc1ccccc1C(C)C 7a_100000211617_100000688953 [0,1,1,0,0,0|2,0,0]=4 4488 B14R1.903 C#CCCOc1ccccc1C(C)O 34a_200011232679_100000688953 [0,1,1,0,0,0|2,0,0]=4 4489 B14R1.903 C#CCCOc1ccccc1C(C)O 7a_200011232679_100000688953 [0,1,1,0,0,0|2,0,0]=4 4490 B14R1.903 C#CCCOc1ccccc1[C@@H](C)N 34a_100025703389_100000688953 [0,1,1,0,0,0|2,0,0]=4 4491 B14R1.903 C#CCCSc1ccccc1C(C)C 62a_100000688953_100000708600 [0,1,1,0,0,0|2,0,0]=4 4492 B14R1.903 C#CCCSc1ccccc1C(C)C 62a_100000708600_100000688953 [0,1,1,0,0,0|2,0,0]=4 4493 B14R1.903 C#CCCSc1ccccc1C(C)N 62a_100000181357_100000688953 [0,1,1,0,0,0|2,0,0]=4 4494 B14R1.903 C#CCCSc1ccccc1C(C)N 62a_100000688953_100000181357 [0,1,1,0,0,0|2,0,0]=4 4495 B14R1.903 C#CCCSc1ccccc1C(C)O 62a_100000688953_100000702211 [0,1,1,0,0,0|2,0,0]=4 4496 B14R1.903 C#CCCSc1ccccc1C(C)O 62a_100000702211_100000688953 [0,1,1,0,0,0|2,0,0]=4 4497 B14R1.903 C#CCNCc1ccccc1B(O)O 34a_100000212058_100009814197 [0,1,1,0,0,0|2,0,0]=4 4498 B14R1.903 C#CCNCc1ccccc1C(=O)O 269956a_100015183376_100000184674 [0,1,1,0,0,0|1,0,1]=4 4499 B14R1.903 C#CCNCc1ccccc1[N+](=O)[O-] 34a_100000212058_100000181388 [0,1,1,0,0,0|2,0,0]=4 4500 B14R1.903 C#CCNCc1ncccc1C(C)C 34a_100000212058_200134614246 [0,1,1,0,0,0|1,0,0]=3 4501 B14R1.903 C#CCOCc1ncccc1C(C)C 34a_100000210247_200134614246 [0,1,1,0,0,0|2,0,0]=4 4502 B14R1.903 C#CCOCc1ncccc1C(C)C 34a_200009878718_100000184674 [0,1,1,0,0,0|2,0,0]=4 4503 B14R1.903 C#CCSCc1ncccc1C(C)C 62a_100000038162_200134614246 [0,1,1,0,0,0|2,0,0]=4 4504 B14R1.903 C=CCNCc1ccccc1C(C)C 270004a_100020586998_100011361515 [0,1,1,0,0,0|0,0,2]=4 4505 B14R1.903 CC(C)c1ccccc1CNCCO 207a_100000210304_100011361515 [0,1,1,0,0,0|1,0,1]=4 4506 B14R1.903 CC(C)c1ccccc1CNCCO 270004a_100000210304_100011361515 [0,1,1,0,0,0|1,0,1]=4 4507 B14R1.903 CCCNCc1ccccc1C(C)C 207a_100020643023_100011361515 [0,1,1,0,0,0|0,0,2]=4 4508 B14R1.903 CCCNCc1ccccc1C(C)C 270004a_100020643023_100011361515 [0,1,1,0,0,0|0,0,2]=4 4509 B14R1.904 C#CCCNc1ccccc1CCC 2230a_100000737634_100000688953 [0,1,1,0,0,0|2,0,0]=4 4510 B14R1.904 C#CCCNc1ccccc1CCC 34a_100000737634_100000688953 [0,1,1,0,0,0|2,0,0]=4 4511 B14R1.904 C#CCCNc1ccccc1CCC 7a_100000737634_100000688953 [0,1,1,0,0,0|2,0,0]=4 4512 B14R1.904 C#CCCNc1ccccc1CCO 2230a_100011215289_100000688953 [0,1,1,0,0,0|2,0,0]=4 4513 B14R1.904 C#CCCNc1ccccc1CCO 34a_100011215289_100000688953 [0,1,1,0,0,0|2,0,0]=4 4514 B14R1.904 C#CCCNc1ccccc1OCC 34a_100000211218_100000688953 [0,1,1,0,0,0|2,0,0]=4 4515 B14R1.904 C#CCCNc1ccccc1SCC 34a_100011223125_100000688953 [0,1,1,0,0,0|2,0,0]=4 4516 B14R1.904 C#CCCOc1ccccc1CCBr 34a_100000722297_100000688953 [0,1,1,0,0,0|2,0,0]=4 4517 B14R1.904 C#CCCOc1ccccc1CCBr 7a_100000722297_100000688953 [0,1,1,0,0,0|2,0,0]=4 4518 B14R1.904 C#CCCOc1ccccc1CCC 34a_100011217252_100000688953 [0,1,1,0,0,0|2,0,0]=4 4519 B14R1.904 C#CCCOc1ccccc1CCC 7a_100011217252_100000688953 [0,1,1,0,0,0|2,0,0]=4 4520 B14R1.904 C#CCCOc1ccccc1CCN 34a_100011207237_100000688953 [0,1,1,0,0,0|2,0,0]=4 4521 B14R1.904 C#CCCOc1ccccc1CCO 34a_100000719421_100000688953 [0,1,1,0,0,0|2,0,0]=4 4522 B14R1.904 C#CCCOc1ccccc1CCO 7a_100000719421_100000688953 [0,1,1,0,0,0|2,0,0]=4 4523 B14R1.904 C#CCCOc1ccccc1CNC 34a_100015189988_100000688953 [0,1,1,0,0,0|2,0,0]=4 4524 B14R1.904 C#CCCOc1ccccc1COC 34a_100011488565_100000688953 [0,1,1,0,0,0|2,0,0]=4 4525 B14R1.904 C#CCCOc1ccccc1COC 7a_100011488565_100000688953 [0,1,1,0,0,0|2,0,0]=4 4526 B14R1.904 C#CCCOc1ccccc1NCC 34a_103624766699_100000688953 [0,1,1,0,0,0|2,0,0]=4 4527 B14R1.904 C#CCCOc1ccccc1NCC 7a_103624766699_100000688953 [0,1,1,0,0,0|2,0,0]=4 4528 B14R1.904 C#CCCOc1ccccc1OCC 34a_100000211404_100000688953 [0,1,1,0,0,0|2,0,0]=4 4529 B14R1.904 C#CCCOc1ccccc1OCC 7a_100000211404_100000688953 [0,1,1,0,0,0|2,0,0]=4 4530 B14R1.904 C#CCCSc1ccccc1CCN 62a_100000688953_100000747383 [0,1,1,0,0,0|2,0,0]=4 4531 B14R1.904 C#CCCSc1ccccc1CCN 62a_100000747383_100000688953 [0,1,1,0,0,0|2,0,0]=4 4532 B14R1.904 C#CCCSc1ccccc1CCO 62a_100000688953_100000731337 [0,1,1,0,0,0|2,0,0]=4 4533 B14R1.904 C#CCCSc1ccccc1CCO 62a_100000731337_100000688953 [0,1,1,0,0,0|2,0,0]=4 4534 B14R1.904 C#CCCSc1ccccc1CNC 62a_100000184654_100000688953 [0,1,1,0,0,0|2,0,0]=4 4535 B14R1.904 C#CCCSc1ccccc1CNC 62a_100000688953_100000184654 [0,1,1,0,0,0|2,0,0]=4 4536 B14R1.904 C#CCCSc1ccccc1COC 62a_100000688953_100011493684 [0,1,1,0,0,0|2,0,0]=4 4537 B14R1.904 C#CCCSc1ccccc1COC 62a_100011493684_100000688953 [0,1,1,0,0,0|2,0,0]=4 4538 B14R1.904 C#CCCSc1ccccc1CSC 62a_100000148299_100000688953 [0,1,1,0,0,0|2,0,0]=4 4539 B14R1.904 C#CCCSc1ccccc1CSC 62a_100000688953_100000148299 [0,1,1,0,0,0|2,0,0]=4 4540 B14R1.904 C#CCCSc1ccccc1NCC 62a_100000688953_114873767003 [0,1,1,0,0,0|2,0,0]=4 4541 B14R1.904 C#CCCSc1ccccc1NCC 62a_114873767003_100000688953 [0,1,1,0,0,0|2,0,0]=4 4542 B14R1.904 C#CCCSc1ccccc1OCC 62a_100000230754_100000688953 [0,1,1,0,0,0|2,0,0]=4 4543 B14R1.904 C#CCCSc1ccccc1OCC 62a_100000688953_100000230754 [0,1,1,0,0,0|2,0,0]=4 4544 B14R1.904 C#CCCSc1ccccc1SCC 62a_100000230856_100000688953 [0,1,1,0,0,0|2,0,0]=4 4545 B14R1.904 C#CCCSc1ccccc1SCC 62a_100000688953_100000230856 [0,1,1,0,0,0|2,0,0]=4 4546 B14R1.904 C#CCOCc1ccccc1OCC 34a_100000708577_100000184674 [0,1,1,0,0,0|1,0,0]=3 4547 B14R1.904 C#CCOCc1ccccc1OCC 7a_100000708577_100000038162 [0,1,1,0,0,0|1,0,0]=3 4548 B14R1.904 C#CCSCc1ccccc1CC#N 62a_100000038162_100010402002 [0,1,1,0,0,0|1,0,1]=4 4549 B14R1.904 C=CCNCc1ccccc1OCC 270004a_100020586998_100000169843 [0,1,1,0,0,0|0,0,2]=4 4550 B14R1.904 CCCNCc1ccccc1OCC 207a_100020643023_100000169843 [0,1,1,0,0,0|0,0,2]=4 4551 B14R1.904 CCCNCc1ccccc1OCC 270004a_100020643023_100000169843 [0,1,1,0,0,0|0,0,2]=4 4552 B14R1.904 CCCNCc1ccccc1OCC 34a_100000749093_100000210202 [0,1,1,0,0,0|0,0,2]=4 4553 B14R1.904 CCCNCc1ccccc1SCC 62a_100000196483_100000210202 [0,1,1,0,0,0|0,0,2]=4 4554 B14R1.904 CCCNCc1ccccc1SCC 62a_100000210202_100000196483 [0,1,1,0,0,0|0,0,2]=4 4555 B14R1.904 CCOc1ccccc1CNCCO 207a_100000210304_100000169843 [0,1,1,0,0,0|1,0,1]=4 4556 B14R1.904 CCOc1ccccc1CNCCO 270004a_100000210304_100000169843 [0,1,1,0,0,0|1,0,1]=4 4557 B14R1.904 CCOc1ccccc1COCC#N 7a_100000708577_100011215382 [0,1,1,0,0,0|2,0,0]=4 4558 B14R1.904 CCSc1ccccc1CNCCO 62a_100000210202_106744479749 [0,1,1,0,0,0|1,0,1]=4 4559 B14R1.904 CCSc1ccccc1CNCCO 62a_106744479749_100000210202 [0,1,1,0,0,0|1,0,1]=4 4560 B14R1.939 C#CCCC(=O)c1ccccc1CC 1458a_100000689120_100000753159 [0,1,1,0,0,0|1,0,1]=4 4561 B14R1.939 C#CCNC(=O)c1ccccc1CC 11a_100000212058_100000689120 [0,1,1,0,0,0|0,0,1]=3 4562 B14R1.939 C#CCNC(=O)c1ccccc1CC 1626a_100000212058_100000689120 [0,1,1,0,0,0|0,0,1]=3 4563 B14R1.939 C#CCNC(=O)c1ccccc1CC 240690a_100000212058_100000689120 [0,1,1,0,0,0|0,0,1]=3 4564 B14R1.939 C#CCNC(=O)c1ccccc1CC 527a_100000212058_100000689120 [0,1,1,0,0,0|0,0,1]=3 4565 B14R1.939 C#CCNC(=O)c1ccccc1NC 34a_100000204693_200000210301 [0,1,1,0,0,0|1,0,1]=4 4566 B14R1.939 C#CCNC(=O)c1ccccc1N[13CH3] 34a_100000204693_200025704644 [0,1,1,0,0,0|1,0,1]=4 4567 B14R1.939 C#CCNC(=O)c1ccccc1OC 11a_100000212058_100000185835 [0,1,1,0,0,0|1,0,1]=4 4568 B14R1.939 C#CCNC(=O)c1ccccc1OC 1626a_100000212058_100000185835 [0,1,1,0,0,0|1,0,1]=4 4569 B14R1.939 C#CCNC(=O)c1ccccc1OC 240690a_100000212058_100000185835 [0,1,1,0,0,0|1,0,1]=4 4570 B14R1.939 C#CCNC(=O)c1ccccc1OC 527a_100000212058_100000185835 [0,1,1,0,0,0|1,0,1]=4 4571 B14R1.939 C#CCNC(=O)c1ccccc1SC 11a_100000212058_100000183967 [0,1,1,0,0,0|1,0,1]=4 4572 B14R1.939 C#CCNC(=O)c1ccccc1SC 1626a_100000212058_100000183967 [0,1,1,0,0,0|1,0,1]=4 4573 B14R1.939 C#CCNC(=O)c1ccccc1SC 240690a_100000212058_100000183967 [0,1,1,0,0,0|1,0,1]=4 4574 B14R1.939 C#CCNC(=O)c1ccccc1SC 527a_100000212058_100000183967 [0,1,1,0,0,0|1,0,1]=4 4575 B14R1.939 C#CCNC(C)c1ccccc1C#N 2230a_100160469468_100000038162 [0,1,1,0,0,0|1,0,1]=4 4576 B14R1.939 C#CCNC(C)c1ccccc1OC 2230a_100000185323_100000038162 [0,1,1,0,0,0|1,0,0]=3 4577 B14R1.939 C#CCOC(C)c1ccccc1OC 7a_100000742714_100000038162 [0,1,1,0,0,0|2,0,0]=4 4578 B14R1.939 CCc1ccccc1C(=O)NCC#N 1626a_100000734998_100000689120 [0,1,1,0,0,0|1,0,1]=4 4579 B14R1.939 CCc1ccccc1C(=O)NCC#N 527a_100000734998_100000689120 [0,1,1,0,0,0|1,0,1]=4 4580 B14R1.939 COc1ccccc1C(C)NCC#N 2230a_100000185323_100011215382 [0,1,1,0,0,0|2,0,0]=4 4581 B14R1.965 C#CCC(=O)Cc1ccccc1CO 1458a_100011220946_100009816955 [0,1,1,0,0,0|2,0,0]=4 4582 B14R1.965 C#CCC(=O)Cc1ccccc1OC 1458a_100000211604_100000184674 [0,1,1,0,0,0|2,0,0]=4 4583 B14R1.965 C#CCC(=O)Cc1ccccc1OC 1458a_100011220946_100000210004 [0,1,1,0,0,0|2,0,0]=4 4584 B14R1.965 C#CCC(=O)Cc1ccccc1SC 1458a_100011220946_100000699184 [0,1,1,0,0,0|2,0,0]=4 4585 B14R1.965 C#CCC(=O)Nc1ccccc1CC 1626a_100000212081_100011220946 [0,1,1,0,0,0|2,0,0]=4 4586 B14R1.965 C#CCC(=O)Nc1ccccc1CC 527a_100000212081_100011220946 [0,1,1,0,0,0|2,0,0]=4 4587 B14R1.965 C#CCN(C)Cc1ccccc1C#N 2230a_100000225633_100000038162 [0,1,1,0,0,0|1,0,1]=4 4588 B14R1.965 C#CCN(C)Cc1ccccc1C#N 2230a_100000225692_100000181865 [0,1,1,0,0,0|1,0,1]=4 4589 B14R1.965 C#CCN(C)Cc1ccccc1C#N 34a_100000225692_100000181865 [0,1,1,0,0,0|1,0,1]=4 4590 B14R1.965 C#CCN(C)Cc1ccccc1C=O 2230a_100000225692_200009853537 [0,1,1,0,0,0|1,0,1]=4 4591 B14R1.965 C#CCN(C)Cc1ccccc1C=O 34a_100000225692_200009853537 [0,1,1,0,0,0|1,0,1]=4 4592 B14R1.965 C#CCN(C)Cc1ccccc1CC 270004a_100000225692_100011219594 [0,1,1,0,0,0|0,0,0]=2 4593 B14R1.965 C#CCN(C)Cc1ccccc1CO 2230a_100000044721_100000038162 [0,1,1,0,0,0|1,0,0]=3 4594 B14R1.965 C#CCN(C)Cc1ccccc1CO 2230a_100000225692_100009816955 [0,1,1,0,0,0|1,0,0]=3 4595 B14R1.965 C#CCN(C)Cc1ccccc1CO 34a_100000225692_100009816955 [0,1,1,0,0,0|1,0,0]=3 4596 B14R1.965 C#CCN(C)Cc1ccccc1OC 2230a_100000184376_100000038162 [0,1,1,0,0,0|1,0,0]=3 4597 B14R1.965 C#CCN(C)Cc1ccccc1OC 2230a_100000225692_100000210004 [0,1,1,0,0,0|1,0,0]=3 4598 B14R1.965 C#CCN(C)Cc1ccccc1OC 270004a_100000225692_100000169842 [0,1,1,0,0,0|1,0,0]=3 4599 B14R1.965 C#CCN(C)Cc1ccccc1OC 34a_100000225692_100000210004 [0,1,1,0,0,0|1,0,0]=3 4600 B14R1.965 C#CCN(C)Cc1ccccc1SC 2230a_100000225692_100000699184 [0,1,1,0,0,0|1,0,0]=3 4601 B14R1.965 C#CCN(C)Cc1ccccc1SC 270004a_100000225692_100011217347 [0,1,1,0,0,0|1,0,0]=3 4602 B14R1.965 C#CCN(C)Cc1ccccc1SC 34a_100000225692_100000699184 [0,1,1,0,0,0|1,0,0]=3 4603 B14R1.965 C#CCN(C)Cc1cccnc1OC 2230a_100000225692_100020631285 [0,1,1,0,0,0|2,0,0]=4 4604 B14R1.965 C#CCN(C)Cc1cccnc1OC 270004a_100000225692_100011290804 [0,1,1,0,0,0|2,0,0]=4 4605 B14R1.965 C#CCN(C)Cc1cccnc1OC 34a_100000225692_100020631285 [0,1,1,0,0,0|2,0,0]=4 4606 B14R1.965 C#CCN(C)Cc1ccncc1OC 2230a_100000225692_100020635607 [0,1,1,0,0,0|2,0,0]=4 4607 B14R1.965 C#CCN(C)Cc1ccncc1OC 270004a_100000225692_100011361505 [0,1,1,0,0,0|2,0,0]=4 4608 B14R1.965 C#CCN(C)Cc1cnccc1OC 270004a_100000225692_200011997045 [0,1,1,0,0,0|2,0,0]=4 4609 B14R1.965 C#CCN(C)Cc1ncccc1OC 270004a_100000225692_100011912573 [0,1,1,0,0,0|2,0,0]=4 4610 B14R1.965 C=CCN(C)Cc1ccccc1CC 270004a_100000225617_100011219594 [0,1,1,0,0,0|0,0,2]=4 4611 B14R1.965 CCCN(C)Cc1ccccc1CC 270004a_100000747261_100011219594 [0,1,1,0,0,0|0,0,2]=4 4612 B14R1.965 CCc1ccccc1CN(C)CCO 270004a_100000210263_100011219594 [0,1,1,0,0,0|1,0,1]=4 4613 B14R1.965 CN(CC#N)Cc1ccccc1CO 2230a_100000044721_100011215382 [0,1,1,0,0,0|2,0,0]=4 4614 B14R1.965 CN(CC#N)Cc1ccccc1CO 2230a_100000748184_100009816955 [0,1,1,0,0,0|2,0,0]=4 4615 B14R1.965 CN(CC#N)Cc1ccccc1CO 269982a_100000044721_100011214920 [0,1,1,0,0,0|2,0,0]=4 4616 B14R1.965 COc1ccccc1CN(C)CC#N 2230a_100000184376_100011215382 [0,1,1,0,0,0|2,0,0]=4 4617 B14R1.965 COc1ccccc1CN(C)CC#N 2230a_100000748184_100000210004 [0,1,1,0,0,0|2,0,0]=4 4618 B14R1.965 COc1ccccc1CN(C)CC#N 269982a_100000184376_100011214920 [0,1,1,0,0,0|2,0,0]=4 4619 B14R1.965 CSc1ccccc1CN(C)CC#N 2230a_100000748184_100000699184 [0,1,1,0,0,0|2,0,0]=4 4620 B14R1.3381 C#CCCNc1c(cccc1CC)C 2230a_100000210048_100000688953 [0,1,1,0,0,0|2,0,0]=4 4621 B14R1.3381 C#CCCNc1c(cccc1CC)C 34a_100000210048_100000688953 [0,1,1,0,0,0|2,0,0]=4 4622 B14R1.3381 C#CCCNc1c(cccc1CC)C 7a_100000210048_100000688953 [0,1,1,0,0,0|2,0,0]=4 4623 B14R1.3381 C#CCCOc1c(cccc1CC)Br 34a_200010001580_100000688953 [0,1,1,0,0,0|2,0,0]=4 4624 B14R1.3381 C#CCCOc1c(cccc1CC)Br 7a_200010001580_100000688953 [0,1,1,0,0,0|2,0,0]=4 4625 B14R1.3381 C#CCCOc1c(cccc1CC)C 34a_100000034007_100000688953 [0,1,1,0,0,0|2,0,0]=4 4626 B14R1.3381 C#CCCOc1c(cccc1CC)C 7a_100000034007_100000688953 [0,1,1,0,0,0|2,0,0]=4 4627 B14R1.3381 C#CCCSc1c(cccc1CC)C 62a_100000036235_100000688953 [0,1,1,0,0,0|2,0,0]=4 4628 B14R1.3381 C#CCCSc1c(cccc1CC)C 62a_100000688953_100000036235 [0,1,1,0,0,0|2,0,0]=4 4629 B14R1.3381 C#CCNCc1c(cccc1C#N)Br 34a_100000212058_100010145454 [0,1,1,0,0,0|1,0,1]=4 4630 B14R1.3381 C#CCNCc1c(cccc1C#N)Cl 34a_100000212058_100010254528 [0,1,1,0,0,0|1,0,1]=4 4631 B14R1.3381 C#CCNCc1c(cccc1C#N)F 34a_100000212058_100010254529 [0,1,1,0,0,0|1,0,1]=4 4632 B14R1.3381 C#CCNCc1c(cccc1C=O)F 34a_100000212058_100010132767 [0,1,1,0,0,0|1,0,1]=4 4633 B14R1.3381 C#CCNCc1c(cccc1OC)Cl 34a_100000212058_100012349678 [0,1,1,0,0,0|1,0,0]=3 4634 B14R1.3381 C#CCNCc1c(cccc1OC)F 34a_100000212058_100011216731 [0,1,1,0,0,0|1,0,0]=3 4635 B14R1.3381 C#CCNCc1c(cccc1OC)F 34a_100016992011_100000184674 [0,1,1,0,0,0|1,0,0]=3 4636 B14R1.3381 C#CCOCc1c(cccc1OC)Cl 34a_100000210247_100012349678 [0,1,1,0,0,0|2,0,0]=4 4637 B14R1.3381 C#CCOCc1c(cccc1OC)F 34a_100000210247_100011216731 [0,1,1,0,0,0|2,0,0]=4 4638 B14R1.3381 C#CCOCc1c(cccc1OC)F 34a_100011216733_100000184674 [0,1,1,0,0,0|2,0,0]=4 4639 B14R1.3381 C#CCOCc1c(cccc1OC)F 7a_100011216733_100000038162 [0,1,1,0,0,0|2,0,0]=4 4640 B14R1.3381 C#CCSCc1c(cccc1OC)Cl 62a_100000038162_100012349678 [0,1,1,0,0,0|2,0,0]=4 4641 B14R1.3381 C#CCSCc1c(cccc1OC)F 62a_100000038162_100011216731 [0,1,1,0,0,0|2,0,0]=4 4642 B14R1.3619 C#CCNCc1cccc(c1C#N)Br 34a_100000212058_200010145453 [0,1,1,0,0,0|1,0,1]=4 4643 B14R1.3619 C#CCNCc1cccc(c1C#N)F 34a_100000212058_100000707650 [0,1,1,0,0,0|1,0,1]=4 4644 B14R1.3619 C#CCNCc1cccc(c1OC)Br 34a_100000212058_100011470457 [0,1,1,0,0,0|1,0,0]=3 4645 B14R1.3619 C#CCNCc1cccc(c1OC)C 34a_100000212058_100012349798 [0,1,1,0,0,0|1,0,0]=3 4646 B14R1.3619 C#CCNCc1cccc(c1OC)F 34a_100137345168_100000184674 [0,1,1,0,0,0|1,0,0]=3 4647 B14R1.3619 C#CCNCc1nccc(c1OC)Cl 34a_100000212058_100015371371 [0,1,1,0,0,0|2,0,0]=4 4648 B14R1.3619 C#CCOCc1cccc(c1OC)Br 34a_100000210247_100011470457 [0,1,1,0,0,0|2,0,0]=4 4649 B14R1.3619 C#CCOCc1cccc(c1OC)Br 34a_100000704359_100000184674 [0,1,1,0,0,0|2,0,0]=4 4650 B14R1.3619 C#CCOCc1cccc(c1OC)Br 7a_100000704359_100000038162 [0,1,1,0,0,0|2,0,0]=4 4651 B14R1.3619 C#CCOCc1cccc(c1OC)C 34a_100000210247_100012349798 [0,1,1,0,0,0|2,0,0]=4 4652 B14R1.3619 C#CCOCc1cccc(c1OC)C 34a_100012184769_100000184674 [0,1,1,0,0,0|2,0,0]=4 4653 B14R1.3619 C#CCOCc1cccc(c1OC)C 7a_100012184769_100000038162 [0,1,1,0,0,0|2,0,0]=4 4654 B14R1.3619 C#CCOCc1cccc(c1OC)F 34a_100011830279_100000184674 [0,1,1,0,0,0|2,0,0]=4 4655 B14R1.3619 C#CCOCc1cccc(c1OC)F 7a_100011830279_100000038162 [0,1,1,0,0,0|2,0,0]=4 4656 B14R1.3619 C#CCSCc1cccc(c1OC)Br 62a_100000038162_100011470457 [0,1,1,0,0,0|2,0,0]=4 4657 B14R1.3619 C#CCSCc1cccc(c1OC)C 62a_100000038162_100012349798 [0,1,1,0,0,0|2,0,0]=4 4658 B14R1.16 C#CCCN(C)c1cccc(c1C)Cl 2230a_100020606106_100000688953 [0,1,1,0,0,0|2,0,0]=4 4659 B14R1.16 C#CCCN(C)c1cccc(c1C)Cl 269982a_100020606106_100000730999 [0,1,1,0,0,0|2,0,0]=4 4660 B14R1.16 C#CCCN(C)c1cccc(c1C)Cl 34a_100020606106_100000688953 [0,1,1,0,0,0|2,0,0]=4 4661 B14R1.16 C#CCNC(=O)c1cccc(c1C)Br 11a_100000212058_100000760464 [0,1,1,0,0,0|1,0,1]=4 4662 B14R1.16 C#CCNC(=O)c1cccc(c1C)Br 1626a_100000212058_100000760464 [0,1,1,0,0,0|1,0,1]=4 4663 B14R1.16 C#CCNC(=O)c1cccc(c1C)Br 240690a_100000212058_100000760464 [0,1,1,0,0,0|1,0,1]=4 4664 B14R1.16 C#CCNC(=O)c1cccc(c1C)Br 527a_100000212058_100000760464 [0,1,1,0,0,0|1,0,1]=4 4665 B14R1.16 C#CCNC(=O)c1cccc(c1C)C 11a_100000212058_100000183679 [0,1,1,0,0,0|1,0,1]=4 4666 B14R1.16 C#CCNC(=O)c1cccc(c1C)C 1626a_100000212058_100000183679 [0,1,1,0,0,0|1,0,1]=4 4667 B14R1.16 C#CCNC(=O)c1cccc(c1C)C 240690a_100000212058_100000183679 [0,1,1,0,0,0|1,0,1]=4 4668 B14R1.16 C#CCNC(=O)c1cccc(c1C)C 527a_100000212058_100000183679 [0,1,1,0,0,0|1,0,1]=4 4669 B14R1.16 C#CCNC(=O)c1cccc(c1C)Cl 11a_100000212058_100000690184 [0,1,1,0,0,0|1,0,1]=4 4670 B14R1.16 C#CCNC(=O)c1cccc(c1C)Cl 1626a_100000212058_100000690184 [0,1,1,0,0,0|1,0,1]=4 4671 B14R1.16 C#CCNC(=O)c1cccc(c1C)Cl 240690a_100000212058_100000690184 [0,1,1,0,0,0|1,0,1]=4 4672 B14R1.16 C#CCNC(=O)c1cccc(c1C)Cl 527a_100000212058_100000690184 [0,1,1,0,0,0|1,0,1]=4 4673 B14R1.16 C#CCNC(=O)c1cccc(c1C)F 11a_100000212058_100011218272 [0,1,1,0,0,0|1,0,1]=4 4674 B14R1.16 C#CCNC(=O)c1cccc(c1C)F 1626a_100000212058_100011218272 [0,1,1,0,0,0|1,0,1]=4 4675 B14R1.16 C#CCNC(=O)c1cccc(c1C)F 240690a_100000212058_100011218272 [0,1,1,0,0,0|1,0,1]=4 4676 B14R1.16 C#CCNC(=O)c1cccc(c1C)F 527a_100000212058_100011218272 [0,1,1,0,0,0|1,0,1]=4 4677 B14R1.16 C#CCNC(=O)c1cccc(c1C)I 11a_100000212058_100000751865 [0,1,1,0,0,0|1,0,1]=4 4678 B14R1.16 C#CCNC(=O)c1cccc(c1C)I 1626a_100000212058_100000751865 [0,1,1,0,0,0|1,0,1]=4 4679 B14R1.16 C#CCNC(=O)c1cccc(c1C)I 240690a_100000212058_100000751865 [0,1,1,0,0,0|1,0,1]=4 4680 B14R1.16 C#CCNC(=O)c1cccc(c1C)I 527a_100000212058_100000751865 [0,1,1,0,0,0|1,0,1]=4 4681 B14R1.16 C#CCNC(=O)c1cccc(c1C)O 240690a_100000212058_100000766327 [0,1,1,0,0,0|1,0,1]=4 4682 B14R1.16 C#CCNC(=O)c1cccc(c1C)O 527a_100000212058_100000766327 [0,1,1,0,0,0|1,0,1]=4 4683 B14R1.16 C#CCNC(C)c1cccc(c1C)C 34a_100000212058_100012183177 [0,1,1,0,0,0|0,0,0]=2 4684 B14R1.16 C#CCNC(C)c1cccc(c1Cl)Cl 2230a_100015335525_100000038162 [0,1,1,0,0,0|1,0,0]=3 4685 B14R1.16 C#CCNC(C)c1cccc(c1Cl)Cl 34a_100015335525_100000184674 [0,1,1,0,0,0|1,0,0]=3 4686 B14R1.16 C#CCNC(C)c1cccc(c1Cl)F 2230a_100103153465_100000038162 [0,1,1,0,0,0|1,0,0]=3 4687 B14R1.16 C#CCNC(C)c1cccc(c1Cl)F 34a_100103153465_100000184674 [0,1,1,0,0,0|1,0,0]=3 4688 B14R1.16 C#CCN[C@@H](C)c1cccc(c1F)F 2230a_100020612118_100000038162 [0,1,1,0,0,0|1,0,0]=3 4689 B14R1.16 C#CCN[C@@H](C)c1cccc(c1F)F 34a_100020612118_100000184674 [0,1,1,0,0,0|1,0,0]=3 4690 B14R1.16 C#CCN[C@H](C)c1cccc(c1F)Cl 2230a_100016987989_100000038162 [0,1,1,0,0,0|1,0,0]=3 4691 B14R1.16 C#CCN[C@H](C)c1cccc(c1F)Cl 34a_100016987989_100000184674 [0,1,1,0,0,0|1,0,0]=3 4692 B14R1.16 C#CCOC(C)c1cccc(c1C)C 34a_100000210247_100012183177 [0,1,1,0,0,0|1,0,0]=3 4693 B14R1.16 C#CCOC(C)c1cccc(c1F)Br 34a_200012356376_100000184674 [0,1,1,0,0,0|2,0,0]=4 4694 B14R1.16 C#CCOC(C)c1cccc(c1F)Br 7a_200012356376_100000038162 [0,1,1,0,0,0|2,0,0]=4 4695 B14R1.16 C#CCOC(C)c1cccc(c1F)F 34a_100011944069_100000184674 [0,1,1,0,0,0|2,0,0]=4 4696 B14R1.16 C#CCOC(C)c1cccc(c1F)F 7a_100011944069_100000038162 [0,1,1,0,0,0|2,0,0]=4 4697 B14R1.16 C#CCSC(C)c1cccc(c1C)C 62a_100000038162_100012183177 [0,1,1,0,0,0|1,0,0]=3 4698 B14R1.16 C=CCNC(C)c1cccc(c1C)C 2230a_100020586998_100012183177 [0,1,1,0,0,0|0,0,2]=4 4699 B14R1.16 CC(NCC#N)c1cccc(c1Cl)Cl 2230a_100015335525_100011215382 [0,1,1,0,0,0|2,0,0]=4 4700 B14R1.16 CC(NCC#N)c1cccc(c1Cl)F 2230a_100103153465_100011215382 [0,1,1,0,0,0|2,0,0]=4 4701 B14R1.16 CCCNC(C)c1cccc(c1C)Br 269862a_100020643023_100012706834 [0,1,1,0,0,0|0,0,2]=4 4702 B14R1.16 CCCNC(C)c1cccc(c1C)C 269862a_100020643023_100000756305 [0,1,1,0,0,0|0,0,2]=4 4703 B14R1.16 CCCNC(C)c1cccc(c1C)Cl 269862a_100020643023_100012002460 [0,1,1,0,0,0|0,0,2]=4 4704 B14R1.16 CCCNC(C)c1cccc(c1C)F 269862a_100020643023_100000061526 [0,1,1,0,0,0|0,0,2]=4 4705 B14R1.16 CCCNC(C)c1cccc(c1C)I 269862a_100020643023_100010725598 [0,1,1,0,0,0|0,0,2]=4 4706 B14R1.16 C[C@@H](NCC#N)c1cccc(c1F)Cl 2230a_100016987989_100011215382 [0,1,1,0,0,0|2,0,0]=4 4707 B14R1.16 C[C@H](NCC#N)c1cccc(c1F)F 2230a_100020612118_100011215382 [0,1,1,0,0,0|2,0,0]=4 4708 B14R1.16 Cc1c(cccc1C(C)NCCF)Br 269862a_100000724931_100012706834 [0,1,1,0,0,0|1,0,1]=4 4709 B14R1.16 Cc1c(cccc1C(C)NCCF)Cl 269862a_100000724931_100012002460 [0,1,1,0,0,0|1,0,1]=4 4710 B14R1.16 Cc1c(cccc1C(C)NCCF)F 269862a_100000724931_100000061526 [0,1,1,0,0,0|1,0,1]=4 4711 B14R1.16 Cc1c(cccc1C(C)NCCF)I 269862a_100000724931_100010725598 [0,1,1,0,0,0|1,0,1]=4 4712 B14R1.16 Cc1c(cccc1C(C)NCCO)Br 269862a_100000210304_100012706834 [0,1,1,0,0,0|1,0,1]=4 4713 B14R1.16 Cc1c(cccc1C(C)NCCO)Cl 269862a_100000210304_100012002460 [0,1,1,0,0,0|1,0,1]=4 4714 B14R1.16 Cc1c(cccc1C(C)NCCO)F 269862a_100000210304_100000061526 [0,1,1,0,0,0|1,0,1]=4 4715 B14R1.16 Cc1c(cccc1C(C)NCCO)I 269862a_100000210304_100010725598 [0,1,1,0,0,0|1,0,1]=4 4716 B14R1.16 Cc1cccc(c1C)C(C)NCCF 269862a_100000724931_100000756305 [0,1,1,0,0,0|1,0,1]=4 4717 B14R1.16 Cc1cccc(c1C)C(C)NCCF 34a_100000724931_100012183177 [0,1,1,0,0,0|1,0,1]=4 4718 B14R1.16 Cc1cccc(c1C)C(C)NCCO 2230a_100016997473_100012183177 [0,1,1,0,0,0|1,0,1]=4 4719 B14R1.16 Cc1cccc(c1C)C(C)NCCO 269862a_100000210304_100000756305 [0,1,1,0,0,0|1,0,1]=4 4720 B14R1.16 Cc1cccc(c1C)C(C)NCCO 34a_100016990907_100012183177 [0,1,1,0,0,0|1,0,1]=4 4721 B14R1.16 Cc1cccc(c1C)C(C)SCC#N 62a_100011215382_100012183177 [0,1,1,0,0,0|2,0,0]=4 4722 B14R1.16 Cc1cccc(c1C)C(C)SCC#N 62a_100012183177_100011215382 [0,1,1,0,0,0|2,0,0]=4 4723 B14R1.160 C=C(C)CNC(C)c1ccccc1C 2230a_100000181355_100000748629 [0,1,1,0,0,0|0,0,2]=4 4724 B14R1.160 C=C(C)CNC(C)c1ccccc1C 34a_100000181355_100000748629 [0,1,1,0,0,0|0,0,2]=4 4725 B14R1.160 C=C(F)CNC(C)c1ccccc1C 2230a_100000181355_100009893438 [0,1,1,0,0,0|0,0,2]=4 4726 B14R1.160 C=C(F)CNC(C)c1ccccc1C 34a_100000181355_100009893438 [0,1,1,0,0,0|0,0,2]=4 4727 B14R1.160 Cc1ccccc1C(C)NCC(=O)N 2230a_100000181355_100000747473 [0,1,1,0,0,0|1,0,1]=4 4728 B14R1.160 Cc1ccccc1C(C)NCC(=O)N 34a_100000181355_100000187820 [0,1,1,0,0,0|1,0,1]=4 4729 B14R1.160 Cc1ccccc1C(C)NCC(=O)[O-] 34a_100000181355_100020667443 [0,1,1,0,0,0|1,0,1]=4 4730 B14R1.160 Cc1ccccc1C(C)NCC(C)C 2230a_100000181355_100000210760 [0,1,1,0,0,0|0,0,2]=4 4731 B14R1.160 Cc1ccccc1C(C)NCC(C)C 269862a_100000210953_100000211656 [0,1,1,0,0,0|0,0,2]=4 4732 B14R1.160 Cc1ccccc1C(C)NCC(C)C 270004a_100000181355_100000210432 [0,1,1,0,0,0|0,0,2]=4 4733 B14R1.160 Cc1ccccc1C(C)NCC(C)C 34a_100000181355_100000210624 [0,1,1,0,0,0|0,0,2]=4 4734 B14R1.160 Cc1ccccc1C(C)NCC(C)O 2230a_100000181355_100011218427 [0,1,1,0,0,0|0,0,2]=4 4735 B14R1.160 Cc1ccccc1C(C)NCC(C)O 269862a_100000210904_100000211656 [0,1,1,0,0,0|0,0,2]=4 4736 B14R1.160 Cc1ccccc1C(C)NCC(C)O 34a_100000181355_100011218427 [0,1,1,0,0,0|0,0,2]=4 4737 B14R1.160 Cc1ccccc1C(C)NCC(F)F 2230a_100000181355_100011934356 [0,1,1,0,0,0|1,0,1]=4 4738 B14R1.160 Cc1ccccc1C(C)NCC(F)F 34a_100000181355_100011934356 [0,1,1,0,0,0|1,0,1]=4 4739 B14R1.160 Cc1ccccc1C(C)NC[C@@H](C)O 2230a_100000181355_100009817552 [0,1,1,0,0,0|0,0,2]=4 4740 B14R1.160 Cc1ccccc1C(C)NC[C@@H](C)O 34a_100000181355_100009817552 [0,1,1,0,0,0|0,0,2]=4 4741 B14R1.160 Cc1ccccc1C(C)NC[N+](=O)[O-] 34a_100000181355_100000761209 [0,1,1,0,0,0|2,0,0]=4 4742 B14R1.587 C#CC(C)NC(=O)c1ccccc1C 11a_100000707721_100000212026 [0,1,1,0,0,0|1,0,1]=4 4743 B14R1.587 C#CC(C)NC(=O)c1ccccc1C 1626a_100000707721_100000212026 [0,1,1,0,0,0|1,0,1]=4 4744 B14R1.587 C#CC(C)NC(=O)c1ccccc1C 240690a_100000707721_100000212026 [0,1,1,0,0,0|1,0,1]=4 4745 B14R1.587 C#CC(C)NC(=O)c1ccccc1C 527a_100000707721_100000212026 [0,1,1,0,0,0|1,0,1]=4 4746 B14R1.587 C#CC(C)NC(C)c1ccccc1C 34a_100000181355_200000035995 [0,1,1,0,0,0|0,0,0]=2 4747 B14R1.587 C#CC(C)NC(C)c1ccccc1Cl 2230a_100000707721_100000181259 [0,1,1,0,0,0|1,0,0]=3 4748 B14R1.587 C#CC(C)NC(C)c1ccccc1Cl 34a_100000174978_200000035995 [0,1,1,0,0,0|1,0,0]=3 4749 B14R1.587 C#CC(C)NC(C)c1ccccc1F 2230a_100000707721_200000741388 [0,1,1,0,0,0|1,0,0]=3 4750 B14R1.587 C#CC(C)NC(C)c1ccccc1F 34a_100000181408_200000035995 [0,1,1,0,0,0|1,0,0]=3 4751 B14R1.587 C#CC(C)NC(C)c1ccccc1F 34a_100000707721_200000741388 [0,1,1,0,0,0|1,0,0]=3 4752 B14R1.587 C#CC(C)OC(C)c1ccccc1Br 34a_100000702211_200000035995 [0,1,1,0,0,0|2,0,0]=4 4753 B14R1.587 C#CC(C)OC(C)c1ccccc1C 34a_100000742021_200000035995 [0,1,1,0,0,0|1,0,0]=3 4754 B14R1.587 C#CC(C)OC(C)c1ccccc1Cl 34a_100000740796_200000035995 [0,1,1,0,0,0|2,0,0]=4 4755 B14R1.587 C#CC(C)OC(C)c1ccccc1F 34a_100000697922_200000035995 [0,1,1,0,0,0|2,0,0]=4 4756 B14R1.587 C#CC(C)SC(C)c1ccccc1Cl 62a_200000035995_100000181259 [0,1,1,0,0,0|2,0,0]=4 4757 B14R1.587 C#CC(C)SC(C)c1ccccc1F 62a_200000035995_200000741388 [0,1,1,0,0,0|2,0,0]=4 4758 B14R1.587 C#C[C@@H](C)OC(C)c1ccccc1Cl 7a_100009815206_100000181259 [0,1,1,0,0,0|2,0,0]=4 4759 B14R1.587 C#C[C@@H](C)OC(C)c1ccccc1F 34a_100009815206_200000741388 [0,1,1,0,0,0|2,0,0]=4 4760 B14R1.587 C#C[C@@H](C)OC(C)c1ccccc1F 7a_100009815206_200000741388 [0,1,1,0,0,0|2,0,0]=4 4761 B14R1.587 CC(C#N)NC(C)c1ccccc1Br 2230a_100000181357_100000184139 [0,1,1,0,0,0|2,0,0]=4 4762 B14R1.587 CC(C#N)NC(C)c1ccccc1Cl 2230a_100000174978_100000184139 [0,1,1,0,0,0|2,0,0]=4 4763 B14R1.587 CC(C#N)NC(C)c1ccccc1Cl 2230a_100000737613_100000181259 [0,1,1,0,0,0|2,0,0]=4 4764 B14R1.587 CC(C#N)NC(C)c1ccccc1F 2230a_100000181408_100000184139 [0,1,1,0,0,0|2,0,0]=4 4765 B14R1.587 CC(C#N)NC(C)c1ccccc1F 2230a_100000737613_200000741388 [0,1,1,0,0,0|2,0,0]=4 4766 B14R1.587 CC(C#N)N[C@H](C)c1ccccc1O 2230a_100025703389_100000184139 [0,1,1,0,0,0|2,0,0]=4 4767 B14R1.587 CCC(C)NC(C)c1ccccc1C 2230a_100000181355_100000758301 [0,1,1,0,0,0|0,0,2]=4 4768 B14R1.587 CCC(C)NC(C)c1ccccc1C 269862a_100000209981_100000211656 [0,1,1,0,0,0|0,0,2]=4 4769 B14R1.587 CCC(C)NC(C)c1ccccc1C 34a_100000181355_100011215416 [0,1,1,0,0,0|0,0,2]=4 4770 B14R1.587 Cc1ccccc1C(C)NC(C)C#N 2230a_100000181355_100000184139 [0,1,1,0,0,0|1,0,0]=3 4771 B14R1.587 Cc1ccccc1C(C)NC(C)CO 2230a_100000181355_100012180447 [0,1,1,0,0,0|1,0,1]=4 4772 B14R1.587 Cc1ccccc1C(C)NC(C)CO 34a_100000181355_100012180447 [0,1,1,0,0,0|1,0,1]=4 4773 B14R1.587 Cc1ccccc1C(C)N[C@H](C)CF 269862a_100102880703_100000211656 [0,1,1,0,0,0|1,0,1]=4 4774 B14R1.587 Cc1ccccc1C(C)N[C@H](C)CO 269862a_100000737577_100000211656 [0,1,1,0,0,0|1,0,1]=4 4775 B14R1.587 Cc1ccccc1C(C)OC(C)C#N 7a_100000742021_100000703298 [0,1,1,0,0,0|2,0,0]=4 4776 B14R1.587 Cc1cccnc1C(C)NC(C)C#N 2230a_100011536111_100000184139 [0,1,1,0,0,0|2,0,0]=4 4777 B14R1.918 C#CCCN(C)c1cc(ccc1C)Br 2230a_100020629602_100000688953 [0,1,1,0,0,0|2,0,0]=4 4778 B14R1.918 C#CCCN(C)c1cc(ccc1C)Br 269982a_100020629602_100000730999 [0,1,1,0,0,0|2,0,0]=4 4779 B14R1.918 C#CCCN(C)c1cc(ccc1C)Br 34a_100020629602_100000688953 [0,1,1,0,0,0|2,0,0]=4 4780 B14R1.918 C#CCCN(C)c1cc(ccc1C)Cl 2230a_100000221440_100000688953 [0,1,1,0,0,0|2,0,0]=4 4781 B14R1.918 C#CCCN(C)c1cc(ccc1C)Cl 269982a_100000221440_100000730999 [0,1,1,0,0,0|2,0,0]=4 4782 B14R1.918 C#CCCN(C)c1cc(ccc1C)Cl 34a_100000221440_100000688953 [0,1,1,0,0,0|2,0,0]=4 4783 B14R1.918 C#CCCN(C)c1cc(ccc1C)F 2230a_114849113390_100000688953 [0,1,1,0,0,0|2,0,0]=4 4784 B14R1.918 C#CCCN(C)c1cc(ccc1C)F 269982a_114849113390_100000730999 [0,1,1,0,0,0|2,0,0]=4 4785 B14R1.918 C#CCCN(C)c1cc(ccc1C)F 34a_114849113390_100000688953 [0,1,1,0,0,0|2,0,0]=4 4786 B14R1.918 C#CCNC(=O)c1cc(ccc1C)Br 11a_100000212058_100000759961 [0,1,1,0,0,0|1,0,1]=4 4787 B14R1.918 C#CCNC(=O)c1cc(ccc1C)Br 1626a_100000212058_100000759961 [0,1,1,0,0,0|1,0,1]=4 4788 B14R1.918 C#CCNC(=O)c1cc(ccc1C)Br 240690a_100000212058_100000759961 [0,1,1,0,0,0|1,0,1]=4 4789 B14R1.918 C#CCNC(=O)c1cc(ccc1C)Br 527a_100000212058_100000759961 [0,1,1,0,0,0|1,0,1]=4 4790 B14R1.918 C#CCNC(=O)c1cc(ccc1C)C 11a_100000212058_100000195421 [0,1,1,0,0,0|1,0,1]=4 4791 B14R1.918 C#CCNC(=O)c1cc(ccc1C)C 1626a_100000212058_100000195421 [0,1,1,0,0,0|1,0,1]=4 4792 B14R1.918 C#CCNC(=O)c1cc(ccc1C)C 240690a_100000212058_100000195421 [0,1,1,0,0,0|1,0,1]=4 4793 B14R1.918 C#CCNC(=O)c1cc(ccc1C)C 527a_100000212058_100000195421 [0,1,1,0,0,0|1,0,1]=4 4794 B14R1.918 C#CCNC(=O)c1cc(ccc1C)Cl 11a_100000212058_100000692595 [0,1,1,0,0,0|1,0,1]=4 4795 B14R1.918 C#CCNC(=O)c1cc(ccc1C)Cl 1626a_100000212058_100000692595 [0,1,1,0,0,0|1,0,1]=4 4796 B14R1.918 C#CCNC(=O)c1cc(ccc1C)Cl 240690a_100000212058_100000692595 [0,1,1,0,0,0|1,0,1]=4 4797 B14R1.918 C#CCNC(=O)c1cc(ccc1C)Cl 527a_100000212058_100000692595 [0,1,1,0,0,0|1,0,1]=4 4798 B14R1.918 C#CCNC(=O)c1cc(ccc1C)F 11a_100000212058_100000240043 [0,1,1,0,0,0|1,0,1]=4 4799 B14R1.918 C#CCNC(=O)c1cc(ccc1C)F 1626a_100000212058_100000240043 [0,1,1,0,0,0|1,0,1]=4 4800 B14R1.918 C#CCNC(=O)c1cc(ccc1C)F 240690a_100000212058_100000240043 [0,1,1,0,0,0|1,0,1]=4 4801 B14R1.918 C#CCNC(=O)c1cc(ccc1C)F 527a_100000212058_100000240043 [0,1,1,0,0,0|1,0,1]=4 4802 B14R1.918 C#CCNC(=O)c1cc(ccc1C)I 11a_100000212058_100000688012 [0,1,1,0,0,0|1,0,1]=4 4803 B14R1.918 C#CCNC(=O)c1cc(ccc1C)I 1626a_100000212058_100000688012 [0,1,1,0,0,0|1,0,1]=4 4804 B14R1.918 C#CCNC(=O)c1cc(ccc1C)I 240690a_100000212058_100000688012 [0,1,1,0,0,0|1,0,1]=4 4805 B14R1.918 C#CCNC(=O)c1cc(ccc1C)I 527a_100000212058_100000688012 [0,1,1,0,0,0|1,0,1]=4 4806 B14R1.918 C#CCNC(=O)c1cc(ccc1C)O 240690a_100000212058_100000687834 [0,1,1,0,0,0|1,0,1]=4 4807 B14R1.918 C#CCNC(C)c1cc(ccc1Br)F 2230a_100012343209_100000038162 [0,1,1,0,0,0|1,0,0]=3 4808 B14R1.918 C#CCNC(C)c1cc(ccc1Br)F 34a_100012343209_100000184674 [0,1,1,0,0,0|1,0,0]=3 4809 B14R1.918 C#CCNC(C)c1cc(ccc1C)F 2230a_100011191733_100000038162 [0,1,1,0,0,0|0,0,0]=2 4810 B14R1.918 C#CCNC(C)c1cc(ccc1C)F 34a_100011191733_100000184674 [0,1,1,0,0,0|0,0,0]=2 4811 B14R1.918 C#CCNC(C)c1cc(ccc1Cl)Cl 2230a_100000737532_100000038162 [0,1,1,0,0,0|1,0,0]=3 4812 B14R1.918 C#CCNC(C)c1cc(ccc1Cl)Cl 34a_100000737532_100000184674 [0,1,1,0,0,0|1,0,0]=3 4813 B14R1.918 C#CCNC(C)c1cc(ccc1F)F 2230a_100000737541_100000038162 [0,1,1,0,0,0|1,0,0]=3 4814 B14R1.918 C#CCNC(C)c1cc(ccc1F)F 34a_100000737541_100000184674 [0,1,1,0,0,0|1,0,0]=3 4815 B14R1.918 C#CCN[C@@H](C)c1cc(ccc1C)C 2230a_100000695983_100000038162 [0,1,1,0,0,0|0,0,0]=2 4816 B14R1.918 C#CCN[C@@H](C)c1cc(ccc1C)C 34a_100000695983_100000184674 [0,1,1,0,0,0|0,0,0]=2 4817 B14R1.918 C#CCN[C@@H](C)c1cc(ccc1F)Cl 2230a_100000695052_100000038162 [0,1,1,0,0,0|1,0,0]=3 4818 B14R1.918 C#CCN[C@@H](C)c1cc(ccc1F)Cl 34a_100000695052_100000184674 [0,1,1,0,0,0|1,0,0]=3 4819 B14R1.918 C#CCN[C@@H](C)c1cc(ccc1O)F 2230a_100160469477_100000038162 [0,1,1,0,0,0|1,0,0]=3 4820 B14R1.918 C#CCN[C@@H](C)c1cc(ccc1O)F 34a_100160469477_100000184674 [0,1,1,0,0,0|1,0,0]=3 4821 B14R1.918 C#CCN[C@H](C)c1cc(ccc1O)Cl 2230a_100011853016_100000038162 [0,1,1,0,0,0|1,0,0]=3 4822 B14R1.918 C#CCN[C@H](C)c1cc(ccc1O)Cl 34a_100011853016_100000184674 [0,1,1,0,0,0|1,0,0]=3 4823 B14R1.918 C#CCOC(C)c1cc(ccc1C)C 34a_200000246511_100000184674 [0,1,1,0,0,0|1,0,0]=3 4824 B14R1.918 C#CCOC(C)c1cc(ccc1C)C 7a_200000246511_100000038162 [0,1,1,0,0,0|1,0,0]=3 4825 B14R1.918 C#CCOC(C)c1cc(ccc1C)Cl 34a_100012002745_100000184674 [0,1,1,0,0,0|1,0,0]=3 4826 B14R1.918 C#CCOC(C)c1cc(ccc1C)Cl 7a_100012002745_100000038162 [0,1,1,0,0,0|1,0,0]=3 4827 B14R1.918 C#CCOC(C)c1cc(ccc1Cl)Cl 34a_100000742519_100000184674 [0,1,1,0,0,0|2,0,0]=4 4828 B14R1.918 C#CCOC(C)c1cc(ccc1Cl)Cl 7a_100000742519_100000038162 [0,1,1,0,0,0|2,0,0]=4 4829 B14R1.918 C#CCOC(C)c1cc(ccc1F)Br 34a_100011943926_100000184674 [0,1,1,0,0,0|2,0,0]=4 4830 B14R1.918 C#CCOC(C)c1cc(ccc1F)Br 7a_100011943926_100000038162 [0,1,1,0,0,0|2,0,0]=4 4831 B14R1.918 C#CCOC(C)c1cc(ccc1F)F 34a_100000246540_100000184674 [0,1,1,0,0,0|2,0,0]=4 4832 B14R1.918 C#CCOC(C)c1cc(ccc1F)F 7a_100000246540_100000038162 [0,1,1,0,0,0|2,0,0]=4 4833 B14R1.918 C#CCO[C@@H](C)c1cc(ccc1I)F 34a_100134768474_100000184674 [0,1,1,0,0,0|2,0,0]=4 4834 B14R1.918 C#CCO[C@@H](C)c1cc(ccc1I)F 7a_100134768474_100000038162 [0,1,1,0,0,0|2,0,0]=4 4835 B14R1.918 C=CCNC(C)c1cc(ccc1C)F 2230a_100011191733_100000210623 [0,1,1,0,0,0|0,0,2]=4 4836 B14R1.918 C=CCNC(C)c1cc(ccc1C)F 34a_100011191733_100015514636 [0,1,1,0,0,0|0,0,2]=4 4837 B14R1.918 C=CCN[C@@H](C)c1cc(ccc1C)C 2230a_100000695983_100000210623 [0,1,1,0,0,0|0,0,2]=4 4838 B14R1.918 C=CCN[C@@H](C)c1cc(ccc1C)C 34a_100000695983_100015514636 [0,1,1,0,0,0|0,0,2]=4 4839 B14R1.918 CC(NCC#N)c1cc(ccc1Br)F 2230a_100012343209_100011215382 [0,1,1,0,0,0|2,0,0]=4 4840 B14R1.918 CC(NCC#N)c1cc(ccc1Cl)Cl 2230a_100000737532_100011215382 [0,1,1,0,0,0|2,0,0]=4 4841 B14R1.918 CC(NCC#N)c1cc(ccc1F)F 2230a_100000737541_100011215382 [0,1,1,0,0,0|2,0,0]=4 4842 B14R1.918 CCCNC(C)c1cc(ccc1C)Br 269862a_100020643023_100012706819 [0,1,1,0,0,0|0,0,2]=4 4843 B14R1.918 CCCNC(C)c1cc(ccc1C)C 269862a_100020643023_100000211711 [0,1,1,0,0,0|0,0,2]=4 4844 B14R1.918 CCCNC(C)c1cc(ccc1C)Cl 269862a_100020643023_100012002457 [0,1,1,0,0,0|0,0,2]=4 4845 B14R1.918 CCCNC(C)c1cc(ccc1C)F 2230a_100011191733_100000210303 [0,1,1,0,0,0|0,0,2]=4 4846 B14R1.918 CCCNC(C)c1cc(ccc1C)F 269862a_100020643023_100011220403 [0,1,1,0,0,0|0,0,2]=4 4847 B14R1.918 CCCNC(C)c1cc(ccc1C)F 34a_100011191733_100000210303 [0,1,1,0,0,0|0,0,2]=4 4848 B14R1.918 CCCN[C@@H](C)c1cc(ccc1C)C 2230a_100000695983_100000210303 [0,1,1,0,0,0|0,0,2]=4 4849 B14R1.918 CCCN[C@@H](C)c1cc(ccc1C)C 34a_100000695983_100000210303 [0,1,1,0,0,0|0,0,2]=4 4850 B14R1.918 COCNC(C)c1cc(ccc1C)F 2230a_100011191733_100000766300 [0,1,1,0,0,0|1,0,1]=4 4851 B14R1.918 COCN[C@@H](C)c1cc(ccc1C)C 2230a_100000695983_100000766300 [0,1,1,0,0,0|1,0,1]=4 4852 B14R1.918 CSCNC(C)c1cc(ccc1C)F 2230a_100011191733_100011218213 [0,1,1,0,0,0|1,0,1]=4 4853 B14R1.918 CSCNC(C)c1cc(ccc1C)F 34a_100011191733_100011218213 [0,1,1,0,0,0|1,0,1]=4 4854 B14R1.918 CSCN[C@@H](C)c1cc(ccc1C)C 2230a_100000695983_100011218213 [0,1,1,0,0,0|1,0,1]=4 4855 B14R1.918 CSCN[C@@H](C)c1cc(ccc1C)C 34a_100000695983_100011218213 [0,1,1,0,0,0|1,0,1]=4 4856 B14R1.918 C[C@@H](NCC#N)c1cc(ccc1O)Cl 2230a_100011853016_100011215382 [0,1,1,0,0,0|2,0,0]=4 4857 B14R1.918 C[C@H](NCC#N)c1cc(ccc1F)Cl 2230a_100000695052_100011215382 [0,1,1,0,0,0|2,0,0]=4 4858 B14R1.918 C[C@H](NCC#N)c1cc(ccc1O)F 2230a_100160469477_100011215382 [0,1,1,0,0,0|2,0,0]=4 4859 B14R1.918 Cc1ccc(c(c1)C(C)NCCF)C 269862a_100000724931_100000211711 [0,1,1,0,0,0|1,0,1]=4 4860 B14R1.918 Cc1ccc(c(c1)C(C)NCCO)C 269862a_100000210304_100000211711 [0,1,1,0,0,0|1,0,1]=4 4861 B14R1.918 Cc1ccc(c(c1)C(C)OCC#N)C 7a_200000246511_100011215382 [0,1,1,0,0,0|2,0,0]=4 4862 B14R1.918 Cc1ccc(c(c1)[C@H](C)NCC#N)C 2230a_100000695983_100011215382 [0,1,1,0,0,0|1,0,0]=3 4863 B14R1.918 Cc1ccc(c(c1)[C@H](C)NCC=O)C 2230a_100000695983_200015260668 [0,1,1,0,0,0|1,0,1]=4 4864 B14R1.918 Cc1ccc(c(c1)[C@H](C)NCC=O)C 34a_100000695983_200009817547 [0,1,1,0,0,0|1,0,1]=4 4865 B14R1.918 Cc1ccc(c(c1)[C@H](C)NCCF)C 2230a_100000695983_100011217306 [0,1,1,0,0,0|1,0,1]=4 4866 B14R1.918 Cc1ccc(c(c1)[C@H](C)NCCF)C 34a_100000695983_100011217306 [0,1,1,0,0,0|1,0,1]=4 4867 B14R1.918 Cc1ccc(c(c1)[C@H](C)NCCO)C 2230a_100000695983_100000211926 [0,1,1,0,0,0|1,0,1]=4 4868 B14R1.918 Cc1ccc(c(c1)[C@H](C)NCCO)C 34a_100000695983_100000211926 [0,1,1,0,0,0|1,0,1]=4 4869 B14R1.918 Cc1ccc(cc1C(C)NCC#N)F 2230a_100011191733_100011215382 [0,1,1,0,0,0|1,0,0]=3 4870 B14R1.918 Cc1ccc(cc1C(C)NCC=O)F 2230a_100011191733_200015260668 [0,1,1,0,0,0|1,0,1]=4 4871 B14R1.918 Cc1ccc(cc1C(C)NCC=O)F 34a_100011191733_200009817547 [0,1,1,0,0,0|1,0,1]=4 4872 B14R1.918 Cc1ccc(cc1C(C)NCCF)Br 269862a_100000724931_100012706819 [0,1,1,0,0,0|1,0,1]=4 4873 B14R1.918 Cc1ccc(cc1C(C)NCCF)Cl 269862a_100000724931_100012002457 [0,1,1,0,0,0|1,0,1]=4 4874 B14R1.918 Cc1ccc(cc1C(C)NCCF)F 2230a_100011191733_100011217306 [0,1,1,0,0,0|1,0,1]=4 4875 B14R1.918 Cc1ccc(cc1C(C)NCCF)F 269862a_100000724931_100011220403 [0,1,1,0,0,0|1,0,1]=4 4876 B14R1.918 Cc1ccc(cc1C(C)NCCF)F 34a_100011191733_100011217306 [0,1,1,0,0,0|1,0,1]=4 4877 B14R1.918 Cc1ccc(cc1C(C)NCCO)Br 269862a_100000210304_100012706819 [0,1,1,0,0,0|1,0,1]=4 4878 B14R1.918 Cc1ccc(cc1C(C)NCCO)Cl 269862a_100000210304_100012002457 [0,1,1,0,0,0|1,0,1]=4 4879 B14R1.918 Cc1ccc(cc1C(C)NCCO)F 2230a_100011191733_100000211926 [0,1,1,0,0,0|1,0,1]=4 4880 B14R1.918 Cc1ccc(cc1C(C)NCCO)F 269862a_100000210304_100011220403 [0,1,1,0,0,0|1,0,1]=4 4881 B14R1.918 Cc1ccc(cc1C(C)NCCO)F 34a_100011191733_100000211926 [0,1,1,0,0,0|1,0,1]=4 4882 B14R1.918 Cc1ccc(cc1C(C)OCC#N)Cl 7a_100012002745_100011215382 [0,1,1,0,0,0|2,0,0]=4 4883 B14R1.1035 C#CCCCN(C)c1ccccc1C 2230a_100000219699_100000731252 [0,1,1,0,0,0|2,0,0]=4 4884 B14R1.1035 C#CCCCN(C)c1ccccc1C 269982a_100000219699_100011215417 [0,1,1,0,0,0|2,0,0]=4 4885 B14R1.1035 C#CCCCN(C)c1ccccc1C 34a_100000219699_100000695029 [0,1,1,0,0,0|2,0,0]=4 4886 B14R1.1035 C#CCCNC(=O)c1ccccc1C 11a_100000755551_100000212026 [0,1,1,0,0,0|1,0,1]=4 4887 B14R1.1035 C#CCCNC(=O)c1ccccc1C 1626a_100000755551_100000212026 [0,1,1,0,0,0|1,0,1]=4 4888 B14R1.1035 C#CCCNC(=O)c1ccccc1C 240690a_100000755551_100000212026 [0,1,1,0,0,0|1,0,1]=4 4889 B14R1.1035 C#CCCNC(=O)c1ccccc1C 527a_100000755551_100000212026 [0,1,1,0,0,0|1,0,1]=4 4890 B14R1.1035 C#CCCNC(C)c1ccccc1Br 2230a_100000181357_100000688953 [0,1,1,0,0,0|1,0,0]=3 4891 B14R1.1035 C#CCCNC(C)c1ccccc1C 2230a_100000181355_100000688953 [0,1,1,0,0,0|0,0,0]=2 4892 B14R1.1035 C#CCCNC(C)c1ccccc1C 34a_100000181355_100000688953 [0,1,1,0,0,0|0,0,0]=2 4893 B14R1.1035 C#CCCNC(C)c1ccccc1Cl 2230a_100000174978_100000688953 [0,1,1,0,0,0|1,0,0]=3 4894 B14R1.1035 C#CCCNC(C)c1ccccc1Cl 34a_100000174978_100000688953 [0,1,1,0,0,0|1,0,0]=3 4895 B14R1.1035 C#CCCNC(C)c1ccccc1F 2230a_100000181408_100000688953 [0,1,1,0,0,0|1,0,0]=3 4896 B14R1.1035 C#CCCNC(C)c1ccccc1F 34a_100000181408_100000688953 [0,1,1,0,0,0|1,0,0]=3 4897 B14R1.1035 C#CCCNC(C)c1ccccc1F 34a_100000755551_200000741388 [0,1,1,0,0,0|1,0,0]=3 4898 B14R1.1035 C#CCCNC(C)c1cccnc1O 2230a_100159269580_100000688953 [0,1,1,0,0,0|2,0,0]=4 4899 B14R1.1035 C#CCCNC(C)c1ncccc1Br 2230a_100159271932_100000688953 [0,1,1,0,0,0|2,0,0]=4 4900 B14R1.1035 C#CCCNC(C)c1ncccc1C 2230a_100011536111_100000688953 [0,1,1,0,0,0|1,0,0]=3 4901 B14R1.1035 C#CCCN[C@H](C)c1ccccc1O 2230a_100025703389_100000688953 [0,1,1,0,0,0|1,0,0]=3 4902 B14R1.1035 C#CCCOC(C)c1ccccc1Br 34a_100000702211_100000688953 [0,1,1,0,0,0|2,0,0]=4 4903 B14R1.1035 C#CCCOC(C)c1ccccc1Br 7a_100000702211_100000688953 [0,1,1,0,0,0|2,0,0]=4 4904 B14R1.1035 C#CCCOC(C)c1ccccc1C 34a_100000742021_100000688953 [0,1,1,0,0,0|1,0,0]=3 4905 B14R1.1035 C#CCCOC(C)c1ccccc1C 7a_100000742021_100000688953 [0,1,1,0,0,0|1,0,0]=3 4906 B14R1.1035 C#CCCOC(C)c1ccccc1Cl 34a_100000740796_100000688953 [0,1,1,0,0,0|2,0,0]=4 4907 B14R1.1035 C#CCCOC(C)c1ccccc1Cl 7a_100000740796_100000688953 [0,1,1,0,0,0|2,0,0]=4 4908 B14R1.1035 C#CCCOC(C)c1ccccc1F 34a_100000697922_100000688953 [0,1,1,0,0,0|2,0,0]=4 4909 B14R1.1035 C#CCCOC(C)c1ccccc1F 34a_100011215631_200000741388 [0,1,1,0,0,0|2,0,0]=4 4910 B14R1.1035 C#CCCOC(C)c1ccccc1F 7a_100000697922_100000688953 [0,1,1,0,0,0|2,0,0]=4 4911 B14R1.1035 C#CCCOC(C)c1ccccc1N 7a_100011405641_100000688953 [0,1,1,0,0,0|2,0,0]=4 4912 B14R1.1035 C#CCCSC(C)c1ccccc1Cl 62a_100000181259_100000688953 [0,1,1,0,0,0|2,0,0]=4 4913 B14R1.1035 C#CCCSC(C)c1ccccc1Cl 62a_100000688953_100000181259 [0,1,1,0,0,0|2,0,0]=4 4914 B14R1.1035 C#CCCSC(C)c1ccccc1F 62a_100000688953_200000741388 [0,1,1,0,0,0|2,0,0]=4 4915 B14R1.1035 C#CCCSC(C)c1ccccc1F 62a_200000741388_100000688953 [0,1,1,0,0,0|2,0,0]=4 4916 B14R1.1035 C#CCNCC(=O)c1ccccc1C 34a_100000212058_100000741374 [0,1,1,0,0,0|1,0,1]=4 4917 B14R1.1035 C#CCNCC(O)c1ccccc1Br 2230a_100011236429_100000038162 [0,1,1,0,0,0|2,0,0]=4 4918 B14R1.1035 C#CCNCC(O)c1ccccc1Cl 2230a_200000759403_100000038162 [0,1,1,0,0,0|2,0,0]=4 4919 B14R1.1035 C#CCNCC(O)c1ccccc1Cl 34a_200000759403_100000184674 [0,1,1,0,0,0|2,0,0]=4 4920 B14R1.1035 C/C=C/CNC(C)c1ccccc1C 34a_100000181355_100102629194 [0,1,1,0,0,0|0,0,2]=4 4921 B14R1.1035 C=CCCNC(C)c1ccccc1C 2230a_100000181355_100000754431 [0,1,1,0,0,0|0,0,2]=4 4922 B14R1.1035 C=CCCNC(C)c1ccccc1C 269862a_100015191253_100000211656 [0,1,1,0,0,0|0,0,2]=4 4923 B14R1.1035 C=CCCNC(C)c1ccccc1C 34a_100000181355_100000754431 [0,1,1,0,0,0|0,0,2]=4 4924 B14R1.1035 CC#CCNC(=O)c1ccccc1C 11a_100000685387_100000212026 [0,1,1,0,0,0|1,0,1]=4 4925 B14R1.1035 CC#CCNC(=O)c1ccccc1C 1626a_100000685387_100000212026 [0,1,1,0,0,0|1,0,1]=4 4926 B14R1.1035 CC#CCNC(=O)c1ccccc1C 527a_100000685387_100000212026 [0,1,1,0,0,0|1,0,1]=4 4927 B14R1.1035 CC#CCNC(C)c1ccccc1Br 2230a_100000181357_100000748600 [0,1,1,0,0,0|1,0,0]=3 4928 B14R1.1035 CC#CCNC(C)c1ccccc1C 2230a_100000181355_100000748600 [0,1,1,0,0,0|0,0,0]=2 4929 B14R1.1035 CC#CCNC(C)c1ccccc1C 34a_100000181355_100000748600 [0,1,1,0,0,0|0,0,0]=2 4930 B14R1.1035 CC#CCNC(C)c1ccccc1Cl 2230a_100000174978_100000748600 [0,1,1,0,0,0|1,0,0]=3 4931 B14R1.1035 CC#CCNC(C)c1ccccc1Cl 2230a_100000685387_100000181259 [0,1,1,0,0,0|1,0,0]=3 4932 B14R1.1035 CC#CCNC(C)c1ccccc1Cl 34a_100000174978_100000748600 [0,1,1,0,0,0|1,0,0]=3 4933 B14R1.1035 CC#CCNC(C)c1ccccc1F 2230a_100000181408_100000748600 [0,1,1,0,0,0|1,0,0]=3 4934 B14R1.1035 CC#CCNC(C)c1ccccc1F 2230a_100000685387_200000741388 [0,1,1,0,0,0|1,0,0]=3 4935 B14R1.1035 CC#CCNC(C)c1ccccc1F 34a_100000181408_100000748600 [0,1,1,0,0,0|1,0,0]=3 4936 B14R1.1035 CC#CCNC(C)c1ccccc1F 34a_100000685387_200000741388 [0,1,1,0,0,0|1,0,0]=3 4937 B14R1.1035 CC#CCNC(C)c1cccnc1O 2230a_100159269580_100000748600 [0,1,1,0,0,0|2,0,0]=4 4938 B14R1.1035 CC#CCNC(C)c1ncccc1Br 2230a_100159271932_100000748600 [0,1,1,0,0,0|2,0,0]=4 4939 B14R1.1035 CC#CCNC(C)c1ncccc1C 2230a_100011536111_100000748600 [0,1,1,0,0,0|1,0,0]=3 4940 B14R1.1035 CC#CCN[C@H](C)c1ccccc1O 2230a_100025703389_100000748600 [0,1,1,0,0,0|1,0,0]=3 4941 B14R1.1035 CC#CCOC(C)c1ccccc1Br 34a_100000702211_100000748600 [0,1,1,0,0,0|2,0,0]=4 4942 B14R1.1035 CC#CCOC(C)c1ccccc1Br 7a_100000702211_100000748600 [0,1,1,0,0,0|2,0,0]=4 4943 B14R1.1035 CC#CCOC(C)c1ccccc1C 34a_100000742021_100000748600 [0,1,1,0,0,0|1,0,0]=3 4944 B14R1.1035 CC#CCOC(C)c1ccccc1C 7a_100000742021_100000748600 [0,1,1,0,0,0|1,0,0]=3 4945 B14R1.1035 CC#CCOC(C)c1ccccc1Cl 34a_100000740796_100000748600 [0,1,1,0,0,0|2,0,0]=4 4946 B14R1.1035 CC#CCOC(C)c1ccccc1Cl 7a_100000740796_100000748600 [0,1,1,0,0,0|2,0,0]=4 4947 B14R1.1035 CC#CCOC(C)c1ccccc1F 34a_100000697922_100000748600 [0,1,1,0,0,0|2,0,0]=4 4948 B14R1.1035 CC#CCOC(C)c1ccccc1F 34a_100000761923_200000741388 [0,1,1,0,0,0|2,0,0]=4 4949 B14R1.1035 CC#CCOC(C)c1ccccc1F 7a_100000697922_100000748600 [0,1,1,0,0,0|2,0,0]=4 4950 B14R1.1035 CC#CCOC(C)c1ccccc1N 7a_100011405641_100000748600 [0,1,1,0,0,0|2,0,0]=4 4951 B14R1.1035 CC#CCSC(C)c1ccccc1Cl 62a_100000181259_100000748600 [0,1,1,0,0,0|2,0,0]=4 4952 B14R1.1035 CC#CCSC(C)c1ccccc1Cl 62a_100000748600_100000181259 [0,1,1,0,0,0|2,0,0]=4 4953 B14R1.1035 CC#CCSC(C)c1ccccc1F 62a_100000748600_200000741388 [0,1,1,0,0,0|2,0,0]=4 4954 B14R1.1035 CC#CCSC(C)c1ccccc1F 62a_200000741388_100000748600 [0,1,1,0,0,0|2,0,0]=4 4955 B14R1.1035 CC(NCCC#N)c1ccccc1Br 2230a_100000181357_100011215226 [0,1,1,0,0,0|1,0,1]=4 4956 B14R1.1035 CC(NCCC#N)c1ccccc1Cl 2230a_100000174978_100011215226 [0,1,1,0,0,0|1,0,1]=4 4957 B14R1.1035 CC(NCCC#N)c1ccccc1F 2230a_100000181408_100011215226 [0,1,1,0,0,0|1,0,1]=4 4958 B14R1.1035 CC=CCNC(C)c1ccccc1C 2230a_100000181355_100000070051 [0,1,1,0,0,0|0,0,2]=4 4959 B14R1.1035 CC=CCNC(C)c1ccccc1C 34a_100000181355_100000070051 [0,1,1,0,0,0|0,0,2]=4 4960 B14R1.1035 CCCCNC(C)c1ccccc1C 2230a_100000181355_100000210211 [0,1,1,0,0,0|0,0,2]=4 4961 B14R1.1035 CCCCNC(C)c1ccccc1C 269862a_100000102301_100000211656 [0,1,1,0,0,0|0,0,2]=4 4962 B14R1.1035 CCCCNC(C)c1ccccc1C 34a_100000181355_100000210210 [0,1,1,0,0,0|0,0,2]=4 4963 B14R1.1035 COCCNC(C)c1ccccc1C 2230a_100000181355_100011201679 [0,1,1,0,0,0|0,0,2]=4 4964 B14R1.1035 COCCNC(C)c1ccccc1C 269862a_100000209980_100000211656 [0,1,1,0,0,0|0,0,2]=4 4965 B14R1.1035 COCCNC(C)c1ccccc1C 34a_100000181355_100011201679 [0,1,1,0,0,0|0,0,2]=4 4966 B14R1.1035 CSCCNC(C)c1ccccc1C 2230a_100000181355_100000751147 [0,1,1,0,0,0|0,0,2]=4 4967 B14R1.1035 CSCCNC(C)c1ccccc1C 269862a_100020590264_100000211656 [0,1,1,0,0,0|0,0,2]=4 4968 B14R1.1035 CSCCNC(C)c1ccccc1C 34a_100000181355_100000212216 [0,1,1,0,0,0|0,0,2]=4 4969 B14R1.1035 C[C@@H](NCCC#N)c1ccccc1O 2230a_100025703389_100011215226 [0,1,1,0,0,0|1,0,1]=4 4970 B14R1.1035 Cc1ccccc1C(C)NCCC#N 2230a_100000181355_100011215226 [0,1,1,0,0,0|0,0,1]=3 4971 B14R1.1035 Cc1ccccc1C(C)NCCCF 2230a_100000181355_100011934791 [0,1,1,0,0,0|0,0,2]=4 4972 B14R1.1035 Cc1ccccc1C(C)NCCCF 269862a_100015189416_100000211656 [0,1,1,0,0,0|0,0,2]=4 4973 B14R1.1035 Cc1ccccc1C(C)NCCCF 34a_100000181355_100011934791 [0,1,1,0,0,0|0,0,2]=4 4974 B14R1.1035 Cc1ccccc1C(C)NCCCO 2230a_100000181355_100000230001 [0,1,1,0,0,0|0,0,2]=4 4975 B14R1.1035 Cc1ccccc1C(C)NCCCO 269862a_100000182051_100000211656 [0,1,1,0,0,0|0,0,2]=4 4976 B14R1.1035 Cc1ccccc1C(C)NCCCO 34a_100000181355_100000230001 [0,1,1,0,0,0|0,0,2]=4 4977 B14R1.1035 Cc1ccccc1C(C)OCCC#N 7a_100000742021_100000184422 [0,1,1,0,0,0|1,0,1]=4 4978 B14R1.1035 Cc1cccnc1C(C)NCCC#N 2230a_100011536111_100011215226 [0,1,1,0,0,0|1,0,1]=4 4979 B14R1.2523 C#CCCN(C)c1ccc(cc1C)Br 2230a_100000221803_100000688953 [0,1,1,0,0,0|2,0,0]=4 4980 B14R1.2523 C#CCCN(C)c1ccc(cc1C)Br 269982a_100000221803_100000730999 [0,1,1,0,0,0|2,0,0]=4 4981 B14R1.2523 C#CCCN(C)c1ccc(cc1C)Br 34a_100000221803_100000688953 [0,1,1,0,0,0|2,0,0]=4 4982 B14R1.2523 C#CCCN(C)c1ccc(cc1C)Cl 2230a_114849113698_100000688953 [0,1,1,0,0,0|2,0,0]=4 4983 B14R1.2523 C#CCCN(C)c1ccc(cc1C)Cl 269982a_114849113698_100000730999 [0,1,1,0,0,0|2,0,0]=4 4984 B14R1.2523 C#CCCN(C)c1ccc(cc1C)Cl 34a_114849113698_100000688953 [0,1,1,0,0,0|2,0,0]=4 4985 B14R1.2523 C#CCCN(C)c1ccc(cc1C)O 269982a_100161107805_100000730999 [0,1,1,0,0,0|2,0,0]=4 4986 B14R1.2523 C#CCCN(C)c1ccc(cc1C)O 34a_100161107805_100000688953 [0,1,1,0,0,0|2,0,0]=4 4987 B14R1.2523 C#CCNC(=O)c1ccc(cc1C)Br 11a_100000212058_100000741311 [0,1,1,0,0,0|1,0,1]=4 4988 B14R1.2523 C#CCNC(=O)c1ccc(cc1C)Br 1626a_100000212058_100000741311 [0,1,1,0,0,0|1,0,1]=4 4989 B14R1.2523 C#CCNC(=O)c1ccc(cc1C)Br 240690a_100000212058_100000741311 [0,1,1,0,0,0|1,0,1]=4 4990 B14R1.2523 C#CCNC(=O)c1ccc(cc1C)Br 527a_100000212058_100000741311 [0,1,1,0,0,0|1,0,1]=4 4991 B14R1.2523 C#CCNC(=O)c1ccc(cc1C)C 11a_100000212058_100000211164 [0,1,1,0,0,0|1,0,1]=4 4992 B14R1.2523 C#CCNC(=O)c1ccc(cc1C)C 1626a_100000212058_100000211164 [0,1,1,0,0,0|1,0,1]=4 4993 B14R1.2523 C#CCNC(=O)c1ccc(cc1C)C 240690a_100000212058_100000211164 [0,1,1,0,0,0|1,0,1]=4 4994 B14R1.2523 C#CCNC(=O)c1ccc(cc1C)C 527a_100000212058_100000211164 [0,1,1,0,0,0|1,0,1]=4 4995 B14R1.2523 C#CCNC(=O)c1ccc(cc1C)Cl 11a_100000212058_100000688705 [0,1,1,0,0,0|1,0,1]=4 4996 B14R1.2523 C#CCNC(=O)c1ccc(cc1C)Cl 1626a_100000212058_100000688705 [0,1,1,0,0,0|1,0,1]=4 4997 B14R1.2523 C#CCNC(=O)c1ccc(cc1C)Cl 240690a_100000212058_100000688705 [0,1,1,0,0,0|1,0,1]=4 4998 B14R1.2523 C#CCNC(=O)c1ccc(cc1C)Cl 527a_100000212058_100000688705 [0,1,1,0,0,0|1,0,1]=4 4999 B14R1.2523 C#CCNC(=O)c1ccc(cc1C)F 11a_100000212058_100000686989 [0,1,1,0,0,0|1,0,1]=4 5000 B14R1.2523 C#CCNC(=O)c1ccc(cc1C)F 1626a_100000212058_100000686989 [0,1,1,0,0,0|1,0,1]=4 5001 B14R1.2523 C#CCNC(=O)c1ccc(cc1C)F 240690a_100000212058_100000686989 [0,1,1,0,0,0|1,0,1]=4 5002 B14R1.2523 C#CCNC(=O)c1ccc(cc1C)F 527a_100000212058_100000686989 [0,1,1,0,0,0|1,0,1]=4 5003 B14R1.2523 C#CCNC(=O)c1ccc(cc1C)I 11a_100000212058_100010189873 [0,1,1,0,0,0|1,0,1]=4 5004 B14R1.2523 C#CCNC(=O)c1ccc(cc1C)I 1626a_100000212058_100010189873 [0,1,1,0,0,0|1,0,1]=4 5005 B14R1.2523 C#CCNC(=O)c1ccc(cc1C)I 240690a_100000212058_100010189873 [0,1,1,0,0,0|1,0,1]=4 5006 B14R1.2523 C#CCNC(=O)c1ccc(cc1C)I 527a_100000212058_100010189873 [0,1,1,0,0,0|1,0,1]=4 5007 B14R1.2523 C#CCNC(=O)c1ccc(cc1C)O 240690a_100000212058_100000692822 [0,1,1,0,0,0|1,0,1]=4 5008 B14R1.2523 C#CCNC(=O)c1ccc(cc1C)O 527a_100000212058_100000692822 [0,1,1,0,0,0|1,0,1]=4 5009 B14R1.2523 C#CCNC(C)c1ccc(cc1Cl)Cl 2230a_100000179772_100000038162 [0,1,1,0,0,0|1,0,0]=3 5010 B14R1.2523 C#CCNC(C)c1ccc(cc1Cl)Cl 34a_100000179772_100000184674 [0,1,1,0,0,0|1,0,0]=3 5011 B14R1.2523 C#CCNC(C)c1ccc(cc1F)Br 2230a_100000730447_100000038162 [0,1,1,0,0,0|1,0,0]=3 5012 B14R1.2523 C#CCNC(C)c1ccc(cc1F)Br 34a_100000730447_100000184674 [0,1,1,0,0,0|1,0,0]=3 5013 B14R1.2523 C#CCNC(C)c1ccc(cc1F)F 2230a_100000181410_100000038162 [0,1,1,0,0,0|1,0,0]=3 5014 B14R1.2523 C#CCNC(C)c1ccc(cc1F)F 34a_100000181410_100000184674 [0,1,1,0,0,0|1,0,0]=3 5015 B14R1.2523 C#CCN[C@@H](C)c1ccc(cc1C)C 2230a_100000745882_100000038162 [0,1,1,0,0,0|0,0,0]=2 5016 B14R1.2523 C#CCN[C@@H](C)c1ccc(cc1C)C 34a_100000745882_100000184674 [0,1,1,0,0,0|0,0,0]=2 5017 B14R1.2523 C#CCN[C@@H](C)c1ccc(cc1C)Cl 2230a_100020633667_100000038162 [0,1,1,0,0,0|0,0,0]=2 5018 B14R1.2523 C#CCN[C@@H](C)c1ccc(cc1C)Cl 34a_100020633667_100000184674 [0,1,1,0,0,0|0,0,0]=2 5019 B14R1.2523 C#CCN[C@H](C)c1ccc(cc1Br)F 2230a_100025704064_100000038162 [0,1,1,0,0,0|1,0,0]=3 5020 B14R1.2523 C#CCN[C@H](C)c1ccc(cc1Br)F 34a_100025704064_100000184674 [0,1,1,0,0,0|1,0,0]=3 5021 B14R1.2523 C#CCN[C@H](C)c1ccc(cc1Cl)F 2230a_100015196781_100000038162 [0,1,1,0,0,0|1,0,0]=3 5022 B14R1.2523 C#CCN[C@H](C)c1ccc(cc1Cl)F 34a_100015196781_100000184674 [0,1,1,0,0,0|1,0,0]=3 5023 B14R1.2523 C#CCN[C@H](C)c1ncc(cc1Cl)Cl 2230a_100012001814_100000038162 [0,1,1,0,0,0|2,0,0]=4 5024 B14R1.2523 C#CCOC(C)c1ccc(cc1C)C 34a_100000246504_100000184674 [0,1,1,0,0,0|1,0,0]=3 5025 B14R1.2523 C#CCOC(C)c1ccc(cc1C)C 7a_100000246504_100000038162 [0,1,1,0,0,0|1,0,0]=3 5026 B14R1.2523 C#CCOC(C)c1ccc(cc1Cl)Cl 34a_100000743050_100000184674 [0,1,1,0,0,0|2,0,0]=4 5027 B14R1.2523 C#CCOC(C)c1ccc(cc1Cl)Cl 7a_100000743050_100000038162 [0,1,1,0,0,0|2,0,0]=4 5028 B14R1.2523 C#CCOC(C)c1ccc(cc1Cl)F 34a_200011245020_100000184674 [0,1,1,0,0,0|2,0,0]=4 5029 B14R1.2523 C#CCOC(C)c1ccc(cc1Cl)F 7a_200011245020_100000038162 [0,1,1,0,0,0|2,0,0]=4 5030 B14R1.2523 C#CCOC(C)c1ccc(cc1F)Cl 34a_200011805215_100000184674 [0,1,1,0,0,0|2,0,0]=4 5031 B14R1.2523 C#CCOC(C)c1ccc(cc1F)Cl 7a_200011805215_100000038162 [0,1,1,0,0,0|2,0,0]=4 5032 B14R1.2523 C#CCOC(C)c1ccc(cc1F)F 34a_200000246518_100000184674 [0,1,1,0,0,0|2,0,0]=4 5033 B14R1.2523 C#CCOC(C)c1ccc(cc1F)F 7a_200000246518_100000038162 [0,1,1,0,0,0|2,0,0]=4 5034 B14R1.2523 C=CCN[C@@H](C)c1ccc(cc1C)C 2230a_100000745882_100000210623 [0,1,1,0,0,0|0,0,2]=4 5035 B14R1.2523 C=CCN[C@@H](C)c1ccc(cc1C)C 34a_100000745882_100015514636 [0,1,1,0,0,0|0,0,2]=4 5036 B14R1.2523 C=CCN[C@@H](C)c1ccc(cc1C)Cl 2230a_100020633667_100000210623 [0,1,1,0,0,0|0,0,2]=4 5037 B14R1.2523 C=CCN[C@@H](C)c1ccc(cc1C)Cl 34a_100020633667_100015514636 [0,1,1,0,0,0|0,0,2]=4 5038 B14R1.2523 CC(NCC#N)c1ccc(cc1Cl)Cl 2230a_100000179772_100011215382 [0,1,1,0,0,0|2,0,0]=4 5039 B14R1.2523 CC(NCC#N)c1ccc(cc1F)Br 2230a_100000730447_100011215382 [0,1,1,0,0,0|2,0,0]=4 5040 B14R1.2523 CC(NCC#N)c1ccc(cc1F)F 2230a_100000181410_100011215382 [0,1,1,0,0,0|2,0,0]=4 5041 B14R1.2523 CCCNC(C)c1ccc(cc1C)Br 269862a_100020643023_100012360112 [0,1,1,0,0,0|0,0,2]=4 5042 B14R1.2523 CCCNC(C)c1ccc(cc1C)C 269862a_100020643023_100000211561 [0,1,1,0,0,0|0,0,2]=4 5043 B14R1.2523 CCCNC(C)c1ccc(cc1C)Cl 269862a_100020643023_100011998434 [0,1,1,0,0,0|0,0,2]=4 5044 B14R1.2523 CCCNC(C)c1ccc(cc1C)F 269862a_100020643023_100000753884 [0,1,1,0,0,0|0,0,2]=4 5045 B14R1.2523 CCCN[C@@H](C)c1ccc(cc1C)C 2230a_100000745882_100000210303 [0,1,1,0,0,0|0,0,2]=4 5046 B14R1.2523 CCCN[C@@H](C)c1ccc(cc1C)C 34a_100000745882_100000210303 [0,1,1,0,0,0|0,0,2]=4 5047 B14R1.2523 CCCN[C@@H](C)c1ccc(cc1C)Cl 2230a_100020633667_100000210303 [0,1,1,0,0,0|0,0,2]=4 5048 B14R1.2523 CCCN[C@@H](C)c1ccc(cc1C)Cl 34a_100020633667_100000210303 [0,1,1,0,0,0|0,0,2]=4 5049 B14R1.2523 COCN[C@@H](C)c1ccc(cc1C)C 2230a_100000745882_100000766300 [0,1,1,0,0,0|1,0,1]=4 5050 B14R1.2523 COCN[C@@H](C)c1ccc(cc1C)Cl 2230a_100020633667_100000766300 [0,1,1,0,0,0|1,0,1]=4 5051 B14R1.2523 CSCN[C@@H](C)c1ccc(cc1C)C 2230a_100000745882_100011218213 [0,1,1,0,0,0|1,0,1]=4 5052 B14R1.2523 CSCN[C@@H](C)c1ccc(cc1C)C 34a_100000745882_100011218213 [0,1,1,0,0,0|1,0,1]=4 5053 B14R1.2523 CSCN[C@@H](C)c1ccc(cc1C)Cl 2230a_100020633667_100011218213 [0,1,1,0,0,0|1,0,1]=4 5054 B14R1.2523 CSCN[C@@H](C)c1ccc(cc1C)Cl 34a_100020633667_100011218213 [0,1,1,0,0,0|1,0,1]=4 5055 B14R1.2523 C[C@@H](NCC#N)c1ccc(cc1Br)F 2230a_100025704064_100011215382 [0,1,1,0,0,0|2,0,0]=4 5056 B14R1.2523 C[C@@H](NCC#N)c1ccc(cc1Cl)F 2230a_100015196781_100011215382 [0,1,1,0,0,0|2,0,0]=4 5057 B14R1.2523 Cc1cc(ccc1C(C)NCCF)Br 269862a_100000724931_100012360112 [0,1,1,0,0,0|1,0,1]=4 5058 B14R1.2523 Cc1cc(ccc1C(C)NCCF)Cl 269862a_100000724931_100011998434 [0,1,1,0,0,0|1,0,1]=4 5059 B14R1.2523 Cc1cc(ccc1C(C)NCCF)F 269862a_100000724931_100000753884 [0,1,1,0,0,0|1,0,1]=4 5060 B14R1.2523 Cc1cc(ccc1C(C)NCCO)Br 269862a_100000210304_100012360112 [0,1,1,0,0,0|1,0,1]=4 5061 B14R1.2523 Cc1cc(ccc1C(C)NCCO)Cl 269862a_100000210304_100011998434 [0,1,1,0,0,0|1,0,1]=4 5062 B14R1.2523 Cc1cc(ccc1C(C)NCCO)F 269862a_100000210304_100000753884 [0,1,1,0,0,0|1,0,1]=4 5063 B14R1.2523 Cc1cc(ccc1[C@H](C)NCC#N)Cl 2230a_100020633667_100011215382 [0,1,1,0,0,0|1,0,0]=3 5064 B14R1.2523 Cc1cc(ccc1[C@H](C)NCC=O)Cl 2230a_100020633667_200015260668 [0,1,1,0,0,0|1,0,1]=4 5065 B14R1.2523 Cc1cc(ccc1[C@H](C)NCC=O)Cl 34a_100020633667_200009817547 [0,1,1,0,0,0|1,0,1]=4 5066 B14R1.2523 Cc1cc(ccc1[C@H](C)NCCF)Cl 2230a_100020633667_100011217306 [0,1,1,0,0,0|1,0,1]=4 5067 B14R1.2523 Cc1cc(ccc1[C@H](C)NCCF)Cl 34a_100020633667_100011217306 [0,1,1,0,0,0|1,0,1]=4 5068 B14R1.2523 Cc1cc(ccc1[C@H](C)NCCO)Cl 2230a_100020633667_100000211926 [0,1,1,0,0,0|1,0,1]=4 5069 B14R1.2523 Cc1cc(ccc1[C@H](C)NCCO)Cl 34a_100020633667_100000211926 [0,1,1,0,0,0|1,0,1]=4 5070 B14R1.2523 Cc1ccc(c(c1)C)C(C)NCCF 269862a_100000724931_100000211561 [0,1,1,0,0,0|1,0,1]=4 5071 B14R1.2523 Cc1ccc(c(c1)C)C(C)NCCO 269862a_100000210304_100000211561 [0,1,1,0,0,0|1,0,1]=4 5072 B14R1.2523 Cc1ccc(c(c1)C)C(C)OCC#N 7a_100000246504_100011215382 [0,1,1,0,0,0|2,0,0]=4 5073 B14R1.2523 Cc1ccc(c(c1)C)[C@H](C)NCC#N 2230a_100000745882_100011215382 [0,1,1,0,0,0|1,0,0]=3 5074 B14R1.2523 Cc1ccc(c(c1)C)[C@H](C)NCC=O 2230a_100000745882_200015260668 [0,1,1,0,0,0|1,0,1]=4 5075 B14R1.2523 Cc1ccc(c(c1)C)[C@H](C)NCC=O 34a_100000745882_200009817547 [0,1,1,0,0,0|1,0,1]=4 5076 B14R1.2523 Cc1ccc(c(c1)C)[C@H](C)NCCF 2230a_100000745882_100011217306 [0,1,1,0,0,0|1,0,1]=4 5077 B14R1.2523 Cc1ccc(c(c1)C)[C@H](C)NCCF 34a_100000745882_100011217306 [0,1,1,0,0,0|1,0,1]=4 5078 B14R1.2523 Cc1ccc(c(c1)C)[C@H](C)NCCO 2230a_100000745882_100000211926 [0,1,1,0,0,0|1,0,1]=4 5079 B14R1.2523 Cc1ccc(c(c1)C)[C@H](C)NCCO 34a_100000745882_100000211926 [0,1,1,0,0,0|1,0,1]=4 5080 B14R1.3348 C#CCC(=O)C(C)c1ccccc1Br 1458a_100012359601_100000184674 [0,1,1,0,0,0|2,0,0]=4 5081 B14R1.3348 C#CCC(=O)C(C)c1ccccc1Cl 1458a_100011220946_100000181259 [0,1,1,0,0,0|2,0,0]=4 5082 B14R1.3348 C#CCC(=O)C(C)c1ccccc1Cl 1458a_100011667492_100000184674 [0,1,1,0,0,0|2,0,0]=4 5083 B14R1.3348 C#CCC(=O)C(C)c1ccccc1F 1458a_100011220946_200000741388 [0,1,1,0,0,0|2,0,0]=4 5084 B14R1.3348 C#CCC(=O)N(C)c1ccccc1C 1626a_100000219699_100011220946 [0,1,1,0,0,0|2,0,0]=4 5085 B14R1.3348 C#CCN(C)C(=O)c1ccccc1C 11a_100000225692_100000212026 [0,1,1,0,0,0|1,0,1]=4 5086 B14R1.3348 C#CCN(C)C(=O)c1ccccc1C 1626a_100000225692_100000212026 [0,1,1,0,0,0|1,0,1]=4 5087 B14R1.3348 C#CCN(C)C(=O)c1ccccc1C 527a_100000225692_100000212026 [0,1,1,0,0,0|1,0,1]=4 5088 B14R1.3348 C#CCN(C)C(C)c1ccccc1Br 2230a_100000692418_100000038162 [0,1,1,0,0,0|1,0,0]=3 5089 B14R1.3348 C#CCN(C)C(C)c1ccccc1Br 2230a_100160470769_200000210301 [0,1,1,0,0,0|1,0,0]=3 5090 B14R1.3348 C#CCN(C)C(C)c1ccccc1Br 269982a_100160470769_200000210301 [0,1,1,0,0,0|1,0,0]=3 5091 B14R1.3348 C#CCN(C)C(C)c1ccccc1Br 34a_100160470769_200000210301 [0,1,1,0,0,0|1,0,0]=3 5092 B14R1.3348 C#CCN(C)C(C)c1ccccc1Cl 2230a_100000225692_100000181259 [0,1,1,0,0,0|1,0,0]=3 5093 B14R1.3348 C#CCN(C)C(C)c1ccccc1F 2230a_100000225692_200000741388 [0,1,1,0,0,0|1,0,0]=3 5094 B14R1.3348 C#CCN(C)C(C)c1ccccc1F 2230a_100000231110_100000038162 [0,1,1,0,0,0|1,0,0]=3 5095 B14R1.3348 C#CCN(C)C(C)c1ccccc1F 2230a_100160470640_200000210301 [0,1,1,0,0,0|1,0,0]=3 5096 B14R1.3348 C#CCN(C)C(C)c1ccccc1F 269982a_100160470640_200000210301 [0,1,1,0,0,0|1,0,0]=3 5097 B14R1.3348 C#CCN(C)C(C)c1ccccc1F 34a_100000225692_200000741388 [0,1,1,0,0,0|1,0,0]=3 5098 B14R1.3348 C#CCN(C)C(C)c1ccccc1F 34a_100000231110_100000184674 [0,1,1,0,0,0|1,0,0]=3 5099 B14R1.3348 C#CCN(C)C(C)c1ccccc1F 34a_100160470640_200000210301 [0,1,1,0,0,0|1,0,0]=3 5100 B14R1.3348 C#CCN([13CH3])C(C)c1ccccc1Br 2230a_100160470769_200025704644 [0,1,1,0,0,0|1,0,0]=3 5101 B14R1.3348 C#CCN([13CH3])C(C)c1ccccc1Br 269982a_100160470769_200025704644 [0,1,1,0,0,0|1,0,0]=3 5102 B14R1.3348 C#CCN([13CH3])C(C)c1ccccc1Br 34a_100160470769_200025704644 [0,1,1,0,0,0|1,0,0]=3 5103 B14R1.3348 C#CCN([13CH3])C(C)c1ccccc1F 2230a_100160470640_200025704644 [0,1,1,0,0,0|1,0,0]=3 5104 B14R1.3348 C#CCN([13CH3])C(C)c1ccccc1F 269982a_100160470640_200025704644 [0,1,1,0,0,0|1,0,0]=3 5105 B14R1.3348 C#CCN([13CH3])C(C)c1ccccc1F 34a_100160470640_200025704644 [0,1,1,0,0,0|1,0,0]=3 5106 B14R1.3348 CC(c1ccccc1Br)N(C)CC#N 2230a_100000692418_100011215382 [0,1,1,0,0,0|2,0,0]=4 5107 B14R1.3348 CC(c1ccccc1Br)N(C)CC#N 269982a_100000692418_100011214920 [0,1,1,0,0,0|2,0,0]=4 5108 B14R1.3348 CC(c1ccccc1Cl)N(C)CC#N 2230a_100000748184_100000181259 [0,1,1,0,0,0|2,0,0]=4 5109 B14R1.3348 CC(c1ccccc1F)N(C)CC#N 2230a_100000231110_100011215382 [0,1,1,0,0,0|2,0,0]=4 5110 B14R1.3348 CC(c1ccccc1F)N(C)CC#N 2230a_100000748184_200000741388 [0,1,1,0,0,0|2,0,0]=4 5111 B14R1.3348 CC(c1ccccc1F)N(C)CC#N 269982a_100000231110_100011214920 [0,1,1,0,0,0|2,0,0]=4 5112 B14R1.4230 C#CCNC(C)(C)c1ccccc1Br 2230a_100020606264_100000038162 [0,1,1,0,0,0|1,0,0]=3 5113 B14R1.4230 C#CCNC(C)(C)c1ccccc1Cl 2230a_100020606166_100000038162 [0,1,1,0,0,0|1,0,0]=3 5114 B14R1.4230 C#CCNC(C)(C)c1ccccc1Cl 34a_100020606166_100000184674 [0,1,1,0,0,0|1,0,0]=3 5115 B14R1.4230 C#CCNC(C)(C)c1ccccc1F 2230a_100000734538_100000038162 [0,1,1,0,0,0|1,0,0]=3 5116 B14R1.4230 C#CCNC(C)(C)c1ccccc1F 34a_100000734538_100000184674 [0,1,1,0,0,0|1,0,0]=3 5117 B14R1.4230 C#CCNC(F)(F)c1ccccc1F 34a_100000212058_100000070671 [0,1,1,0,0,0|2,0,0]=4 5118 B14R1.4230 C#CCNS(=O)(=O)c1ccccc1C 274078a_100000212058_100000750907 [0,1,1,0,0,0|2,0,0]=4 5119 B14R1.4230 C#CCNS(=O)(=O)c1ccccc1C 40a_100000212058_100010269479 [0,1,1,0,0,0|2,0,0]=4 5120 B14R1.4230 C#CCOC(C)(C)c1ccccc1Br 34a_100011346021_100000184674 [0,1,1,0,0,0|2,0,0]=4 5121 B14R1.4230 C#CCOC(C)(C)c1ccccc1Br 7a_100011346021_100000038162 [0,1,1,0,0,0|2,0,0]=4 5122 B14R1.4230 C#CCOC(C)(C)c1ccccc1Cl 34a_100000690508_100000184674 [0,1,1,0,0,0|2,0,0]=4 5123 B14R1.4230 C#CCOC(C)(C)c1ccccc1Cl 7a_100000690508_100000038162 [0,1,1,0,0,0|2,0,0]=4 5124 B14R1.4230 C#CCOC(C)(C)c1ccccc1F 34a_100011345963_100000184674 [0,1,1,0,0,0|2,0,0]=4 5125 B14R1.4230 C#CCOC(C)(C)c1ccccc1F 7a_100011345963_100000038162 [0,1,1,0,0,0|2,0,0]=4 5126 B14R1.4230 C#CCOC(C)(C)c1ccccc1I 34a_100010296449_100000184674 [0,1,1,0,0,0|2,0,0]=4 5127 B14R1.4230 C#CCOC(C)(C)c1ccccc1I 7a_100010296449_100000038162 [0,1,1,0,0,0|2,0,0]=4 5128 B14R1.4230 C#CCOC(C)(C)c1ccccc1N 7a_100000081495_100000038162 [0,1,1,0,0,0|2,0,0]=4 5129 B14R1.4230 CC(C)(NCC#N)c1ccccc1Br 2230a_100020606264_100011215382 [0,1,1,0,0,0|2,0,0]=4 5130 B14R1.4230 CC(C)(NCC#N)c1ccccc1Cl 2230a_100020606166_100011215382 [0,1,1,0,0,0|2,0,0]=4 5131 B14R1.4230 CC(C)(NCC#N)c1ccccc1F 2230a_100000734538_100011215382 [0,1,1,0,0,0|2,0,0]=4 5132 B14R1.8282 C#CCCN(C)c1c(cccc1C)C 2230a_100011645471_100000688953 [0,1,1,0,0,0|2,0,0]=4 5133 B14R1.8282 C#CCCN(C)c1c(cccc1C)C 269982a_100011645471_100000730999 [0,1,1,0,0,0|2,0,0]=4 5134 B14R1.8282 C#CCCN(C)c1c(cccc1C)C 34a_100011645471_100000688953 [0,1,1,0,0,0|2,0,0]=4 5135 B14R1.8282 C#CCNC(=O)c1c(cccc1Br)C 11a_100000212058_100000701904 [0,1,1,0,0,0|1,0,1]=4 5136 B14R1.8282 C#CCNC(=O)c1c(cccc1Br)C 1626a_100000212058_100000701904 [0,1,1,0,0,0|1,0,1]=4 5137 B14R1.8282 C#CCNC(=O)c1c(cccc1Br)C 240690a_100000212058_100000701904 [0,1,1,0,0,0|1,0,1]=4 5138 B14R1.8282 C#CCNC(=O)c1c(cccc1Br)C 527a_100000212058_100000701904 [0,1,1,0,0,0|1,0,1]=4 5139 B14R1.8282 C#CCNC(=O)c1c(cccc1C)C 11a_100000212058_100000758298 [0,1,1,0,0,0|1,0,1]=4 5140 B14R1.8282 C#CCNC(=O)c1c(cccc1C)C 1626a_100000212058_100000758298 [0,1,1,0,0,0|1,0,1]=4 5141 B14R1.8282 C#CCNC(=O)c1c(cccc1C)C 240690a_100000212058_100000758298 [0,1,1,0,0,0|1,0,1]=4 5142 B14R1.8282 C#CCNC(=O)c1c(cccc1Cl)C 11a_100000212058_100000692601 [0,1,1,0,0,0|1,0,1]=4 5143 B14R1.8282 C#CCNC(=O)c1c(cccc1Cl)C 1626a_100000212058_100000692601 [0,1,1,0,0,0|1,0,1]=4 5144 B14R1.8282 C#CCNC(=O)c1c(cccc1Cl)C 240690a_100000212058_100000692601 [0,1,1,0,0,0|1,0,1]=4 5145 B14R1.8282 C#CCNC(=O)c1c(cccc1F)C 11a_100000212058_100000762013 [0,1,1,0,0,0|1,0,1]=4 5146 B14R1.8282 C#CCNC(=O)c1c(cccc1F)C 1626a_100000212058_100000762013 [0,1,1,0,0,0|1,0,1]=4 5147 B14R1.8282 C#CCNC(=O)c1c(cccc1F)C 240690a_100000212058_100000762013 [0,1,1,0,0,0|1,0,1]=4 5148 B14R1.8282 C#CCNC(=O)c1c(cccc1F)C 527a_100000212058_100000762013 [0,1,1,0,0,0|1,0,1]=4 5149 B14R1.8282 C#CCNC(=O)c1c(cccc1I)C 11a_100000212058_100000688020 [0,1,1,0,0,0|1,0,1]=4 5150 B14R1.8282 C#CCNC(=O)c1c(cccc1I)C 1626a_100000212058_100000688020 [0,1,1,0,0,0|1,0,1]=4 5151 B14R1.8282 C#CCNC(=O)c1c(cccc1I)C 240690a_100000212058_100000688020 [0,1,1,0,0,0|1,0,1]=4 5152 B14R1.8282 C#CCNC(C)c1c(cccc1F)F 2230a_100025772709_100000038162 [0,1,1,0,0,0|1,0,0]=3 5153 B14R1.8282 C#CCNC(C)c1c(cccc1F)F 34a_100025772709_100000184674 [0,1,1,0,0,0|1,0,0]=3 5154 B14R1.8282 C#CCN[C@@H](C)c1c(cccc1C)C 2230a_100016987977_100000038162 [0,1,1,0,0,0|0,0,0]=2 5155 B14R1.8282 C#CCN[C@@H](C)c1c(cccc1C)C 34a_100016987977_100000184674 [0,1,1,0,0,0|0,0,0]=2 5156 B14R1.8282 C#CCN[C@H](C)c1c(cccc1Cl)Cl 2230a_100016989663_100000038162 [0,1,1,0,0,0|1,0,0]=3 5157 B14R1.8282 C#CCN[C@H](C)c1c(cccc1Cl)Cl 34a_100016989663_100000184674 [0,1,1,0,0,0|1,0,0]=3 5158 B14R1.8282 C#CCN[C@H](C)c1c(cccc1Cl)F 2230a_100011997870_100000038162 [0,1,1,0,0,0|1,0,0]=3 5159 B14R1.8282 C#CCN[C@H](C)c1c(cccc1Cl)F 34a_100011997870_100000184674 [0,1,1,0,0,0|1,0,0]=3 5160 B14R1.8282 C#CCOC(C)c1c(cccc1Br)F 34a_100013085324_100000184674 [0,1,1,0,0,0|2,0,0]=4 5161 B14R1.8282 C#CCOC(C)c1c(cccc1Br)F 7a_100013085324_100000038162 [0,1,1,0,0,0|2,0,0]=4 5162 B14R1.8282 C#CCOC(C)c1c(cccc1C)C 34a_200000695261_100000184674 [0,1,1,0,0,0|1,0,0]=3 5163 B14R1.8282 C#CCOC(C)c1c(cccc1C)C 7a_200000695261_100000038162 [0,1,1,0,0,0|1,0,0]=3 5164 B14R1.8282 C#CCOC(C)c1c(cccc1Cl)Cl 34a_100011215154_100000184674 [0,1,1,0,0,0|2,0,0]=4 5165 B14R1.8282 C#CCOC(C)c1c(cccc1Cl)Cl 7a_100011215154_100000038162 [0,1,1,0,0,0|2,0,0]=4 5166 B14R1.8282 C#CCOC(C)c1c(cccc1F)F 34a_100000742607_100000184674 [0,1,1,0,0,0|2,0,0]=4 5167 B14R1.8282 C#CCOC(C)c1c(cccc1F)F 7a_100000742607_100000038162 [0,1,1,0,0,0|2,0,0]=4 5168 B14R1.8282 C#CCO[C@H](C)c1c(cccc1Cl)F 34a_200012136785_100000184674 [0,1,1,0,0,0|2,0,0]=4 5169 B14R1.8282 C#CCO[C@H](C)c1c(cccc1Cl)F 7a_200012136785_100000038162 [0,1,1,0,0,0|2,0,0]=4 5170 B14R1.8282 C=CCN[C@@H](C)c1c(cccc1C)C 2230a_100016987977_100000210623 [0,1,1,0,0,0|0,0,2]=4 5171 B14R1.8282 C=CCN[C@@H](C)c1c(cccc1C)C 34a_100016987977_100015514636 [0,1,1,0,0,0|0,0,2]=4 5172 B14R1.8282 CC(NCC#N)c1c(cccc1F)F 2230a_100025772709_100011215382 [0,1,1,0,0,0|2,0,0]=4 5173 B14R1.8282 CCCN[C@@H](C)c1c(cccc1C)C 2230a_100016987977_100000210303 [0,1,1,0,0,0|0,0,2]=4 5174 B14R1.8282 CCCN[C@@H](C)c1c(cccc1C)C 34a_100016987977_100000210303 [0,1,1,0,0,0|0,0,2]=4 5175 B14R1.8282 COCN[C@@H](C)c1c(cccc1C)C 2230a_100016987977_100000766300 [0,1,1,0,0,0|1,0,1]=4 5176 B14R1.8282 CSCN[C@@H](C)c1c(cccc1C)C 2230a_100016987977_100011218213 [0,1,1,0,0,0|1,0,1]=4 5177 B14R1.8282 CSCN[C@@H](C)c1c(cccc1C)C 34a_100016987977_100011218213 [0,1,1,0,0,0|1,0,1]=4 5178 B14R1.8282 C[C@@H](NCC#N)c1c(cccc1Cl)Cl 2230a_100016989663_100011215382 [0,1,1,0,0,0|2,0,0]=4 5179 B14R1.8282 C[C@@H](NCC#N)c1c(cccc1Cl)F 2230a_100011997870_100011215382 [0,1,1,0,0,0|2,0,0]=4 5180 B14R1.8282 Cc1cccc(c1C(C)OCC#N)C 7a_200000695261_100011215382 [0,1,1,0,0,0|2,0,0]=4 5181 B14R1.8282 Cc1cccc(c1[C@H](C)NCC#N)C 2230a_100016987977_100011215382 [0,1,1,0,0,0|1,0,0]=3 5182 B14R1.8282 Cc1cccc(c1[C@H](C)NCC=O)C 2230a_100016987977_200015260668 [0,1,1,0,0,0|1,0,1]=4 5183 B14R1.8282 Cc1cccc(c1[C@H](C)NCC=O)C 34a_100016987977_200009817547 [0,1,1,0,0,0|1,0,1]=4 5184 B14R1.8282 Cc1cccc(c1[C@H](C)NCCF)C 2230a_100016987977_100011217306 [0,1,1,0,0,0|1,0,1]=4 5185 B14R1.8282 Cc1cccc(c1[C@H](C)NCCF)C 34a_100016987977_100011217306 [0,1,1,0,0,0|1,0,1]=4 5186 B14R1.8282 Cc1cccc(c1[C@H](C)NCCO)C 2230a_100016987977_100000211926 [0,1,1,0,0,0|1,0,1]=4 5187 B14R1.8282 Cc1cccc(c1[C@H](C)NCCO)C 34a_100016987977_100000211926 [0,1,1,0,0,0|1,0,1]=4 5188 B14R2.2 CC(=O)CC1CCc2c1cccc2 1458a_100000756587_200000210301 [1,1,0,0,0,0|0,0,2]=4 5189 B14R2.2 CC(=O)N[C@H]1CCc2c1cccc2 11a_100016989578_100015343762 [1,1,0,0,0,0|0,0,2]=4 5190 B14R2.2 CC(=O)N[C@H]1CCc2c1cccc2 1626a_100016989578_100015343762 [1,1,0,0,0,0|0,0,2]=4 5191 B14R2.2 CC(=O)N[C@H]1CCc2c1cccc2 240690a_100016989578_100015343762 [1,1,0,0,0,0|0,0,2]=4 5192 B14R2.2 CC(=O)N[C@H]1CCc2c1cccc2 527a_100016989578_100103153847 [1,1,0,0,0,0|0,0,2]=4 5193 B14R2.2 CC(C)NC1CCc2c1cccc2 2230a_100138425928_200000721974 [1,1,0,0,0,0|0,0,1]=3 5194 B14R2.2 CC(C)NC1COc2c1cccc2 2230a_100000747519_100000210206 [1,1,0,0,0,0|1,0,1]=4 5195 B14R2.2 CC(C)N[C@H]1CCc2c1cccc2 2230a_100016989578_100000210206 [1,1,0,0,0,0|0,0,1]=3 5196 B14R2.2 CC(C)N[C@H]1CCc2c1cccc2 34a_100016989578_100000210206 [1,1,0,0,0,0|0,0,1]=3 5197 B14R2.2 CC(C)OC1CCc2c1cccc2 34a_100000212247_100000210206 [1,1,0,0,0,0|1,0,1]=4 5198 B14R2.2 CC(C)OC1CCc2c1cccc2 7a_100000212247_100000210206 [1,1,0,0,0,0|1,0,1]=4 5199 B14R2.2 CC(C)SC1CCc2c1cccc2 62a_100000210206_200000721974 [1,1,0,0,0,0|1,0,1]=4 5200 B14R2.2 [13CH3]C(=O)CC1CCc2c1cccc2 1458a_100000756587_200025704644 [1,1,0,0,0,0|0,0,2]=4 5201 B14R2.7 CCNC1CCc2c1cccc2Br 2230a_100000751068_100000210202 [1,1,0,0,0,0|0,0,1]=3 5202 B14R2.7 CCNC1CCc2c1cccc2Br 269862a_100015525214_100000744605 [1,1,0,0,0,0|0,0,1]=3 5203 B14R2.7 CCNC1CCc2c1cccc2Br 34a_100000751068_100000210202 [1,1,0,0,0,0|0,0,1]=3 5204 B14R2.7 CCNC1CCc2c1cccc2C 269862a_100015525214_100000752022 [1,1,0,0,0,0|0,0,1]=3 5205 B14R2.7 CCNC1CCc2c1cccc2Cl 2230a_100000743989_100000210202 [1,1,0,0,0,0|0,0,1]=3 5206 B14R2.7 CCNC1CCc2c1cccc2Cl 269862a_100015525214_100000743251 [1,1,0,0,0,0|0,0,1]=3 5207 B14R2.7 CCNC1CCc2c1cccc2Cl 34a_100000743989_100000210202 [1,1,0,0,0,0|0,0,1]=3 5208 B14R2.7 CCNC1CCc2c1cccc2F 269862a_100015525214_100000743250 [1,1,0,0,0,0|0,0,1]=3 5209 B14R2.7 CCNC1CCc2c1cccc2I 269862a_100015525214_100000049675 [1,1,0,0,0,0|0,0,1]=3 5210 B14R2.7 CCNC1COc2c1cccc2Br 2230a_100025715106_100000210202 [1,1,0,0,0,0|1,0,1]=4 5211 B14R2.7 CCNC1COc2c1cccc2F 2230a_200011230594_100000210202 [1,1,0,0,0,0|1,0,1]=4 5212 B14R2.7 CCNC1COc2c1cccc2F 34a_200011230594_100000210202 [1,1,0,0,0,0|1,0,1]=4 5213 B14R2.7 CCN[C@H]1CCc2c1cccc2C 2230a_100134618347_100000210202 [1,1,0,0,0,0|0,0,1]=3 5214 B14R2.7 CCN[C@H]1CCc2c1cccc2C 34a_100134618347_100000210202 [1,1,0,0,0,0|0,0,1]=3 5215 B14R2.7 CCN[C@H]1CCc2c1cccc2F 2230a_100015193782_100000210202 [1,1,0,0,0,0|0,0,1]=3 5216 B14R2.7 CCN[C@H]1CCc2c1cccc2F 34a_100015193782_100000210202 [1,1,0,0,0,0|0,0,1]=3 5217 B14R2.7 CCN[C@H]1CCc2c1cccc2O 2230a_100134616730_100000210202 [1,1,0,0,0,0|0,0,1]=3 5218 B14R2.7 CCN[C@H]1CCc2c1cccc2O 34a_100134616730_100000210202 [1,1,0,0,0,0|0,0,1]=3 5219 B14R2.7 CCN[C@H]1COc2c1cccc2Cl 2230a_100102463758_100000210202 [1,1,0,0,0,0|1,0,1]=4 5220 B14R2.7 CCN[C@H]1COc2c1cccc2Cl 34a_100102463758_100000210202 [1,1,0,0,0,0|1,0,1]=4 5221 B14R2.7 CCOC1CCc2c1cccc2C 34a_100011467954_100000210202 [1,1,0,0,0,0|1,0,1]=4 5222 B14R2.7 CCOC1CCc2c1cccc2C 7a_100011467954_100000210202 [1,1,0,0,0,0|1,0,1]=4 5223 B14R2.7 CCO[C@H]1CCc2c1cccc2Br 34a_100010080924_100000210202 [1,1,0,0,0,0|1,0,1]=4 5224 B14R2.7 CCO[C@H]1CCc2c1cccc2Br 7a_100010080924_100000210202 [1,1,0,0,0,0|1,0,1]=4 5225 B14R2.7 Cc1cccc2c1CCC2OCF 34a_100011467954_100015361967 [1,1,0,0,0,0|2,0,0]=4 5226 B14R2.7 Cc1cccc2c1CCC2OCF 7a_100011467954_100015361967 [1,1,0,0,0,0|2,0,0]=4 5227 B14R2.7 Cc1cccc2c1CC[C@@H]2NCF 34a_100134618347_100015361967 [1,1,0,0,0,0|1,0,0]=3 5228 B14R2.7 FCNC1CCc2c1cccc2Br 34a_100000751068_100015361967 [1,1,0,0,0,0|1,0,0]=3 5229 B14R2.7 FCNC1CCc2c1cccc2Cl 34a_100000743989_100015361967 [1,1,0,0,0,0|1,0,0]=3 5230 B14R2.7 FCNC1COc2c1cccc2F 34a_200011230594_100015361967 [1,1,0,0,0,0|2,0,0]=4 5231 B14R2.7 FCN[C@H]1CCc2c1cccc2F 34a_100015193782_100015361967 [1,1,0,0,0,0|1,0,0]=3 5232 B14R2.7 FCN[C@H]1COc2c1cccc2Cl 34a_100102463758_100015361967 [1,1,0,0,0,0|2,0,0]=4 5233 B14R2.7 FCO[C@H]1CCc2c1cccc2Br 34a_100010080924_100015361967 [1,1,0,0,0,0|2,0,0]=4 5234 B14R2.7 FCO[C@H]1CCc2c1cccc2Br 7a_100010080924_100015361967 [1,1,0,0,0,0|2,0,0]=4 5235 B14R2.7 Oc1cccc2c1CC[C@@H]2NCF 34a_100134616730_100015361967 [1,1,0,0,0,0|1,0,0]=3 5236 B14R2.95 CCC(=O)C1CCc2c1cccc2 1458a_100000750891_100000210202 [1,1,0,0,0,0|1,0,1]=4 5237 B14R2.95 CCN(C)C1CCc2c1cccc2 2230a_100000225621_200000721974 [1,1,0,0,0,0|0,0,1]=3 5238 B14R2.95 CCN(C)C1CCc2c1cccc2 269982a_100000225621_200000721974 [1,1,0,0,0,0|0,0,1]=3 5239 B14R2.95 O=C(CF)C1CCc2c1cccc2 1458a_100000750891_100015361967 [1,1,0,0,0,0|2,0,0]=4 5240 B14R2.467 CCNC1CCc2c1ccc(c2)Br 2230a_100000744021_100000210202 [1,1,0,0,0,0|0,0,1]=3 5241 B14R2.467 CCNC1CCc2c1ccc(c2)Br 269862a_100015525214_100000737041 [1,1,0,0,0,0|0,0,1]=3 5242 B14R2.467 CCNC1CCc2c1ccc(c2)Br 34a_100000744021_100000210202 [1,1,0,0,0,0|0,0,1]=3 5243 B14R2.467 CCNC1CCc2c1ccc(c2)C 2230a_200000746848_100000210202 [1,1,0,0,0,0|0,0,1]=3 5244 B14R2.467 CCNC1CCc2c1ccc(c2)C 269862a_100015525214_100000743249 [1,1,0,0,0,0|0,0,1]=3 5245 B14R2.467 CCNC1CCc2c1ccc(c2)C 34a_200000746848_100000210202 [1,1,0,0,0,0|0,0,1]=3 5246 B14R2.467 CCNC1CCc2c1ccc(c2)Cl 2230a_100000743821_100000210202 [1,1,0,0,0,0|0,0,1]=3 5247 B14R2.467 CCNC1CCc2c1ccc(c2)Cl 269862a_100015525214_100000751102 [1,1,0,0,0,0|0,0,1]=3 5248 B14R2.467 CCNC1CCc2c1ccc(c2)Cl 34a_100000743821_100000210202 [1,1,0,0,0,0|0,0,1]=3 5249 B14R2.467 CCNC1CCc2c1ccc(c2)F 269862a_100015525214_100000035798 [1,1,0,0,0,0|0,0,1]=3 5250 B14R2.467 CCNC1CCc2c1ccc(c2)I 269862a_100015525214_100000049573 [1,1,0,0,0,0|0,0,1]=3 5251 B14R2.467 CCNC1COc2c1ccc(c2)Br 2230a_100020628175_100000210202 [1,1,0,0,0,0|1,0,1]=4 5252 B14R2.467 CCN[C@@H]1CCc2c1ccc(c2)F 2230a_100025717273_100000210202 [1,1,0,0,0,0|0,0,1]=3 5253 B14R2.467 CCN[C@@H]1CCc2c1ccc(c2)F 34a_100025717273_100000210202 [1,1,0,0,0,0|0,0,1]=3 5254 B14R2.467 CCN[C@@H]1COc2c1ccc(c2)Cl 2230a_100138412546_100000210202 [1,1,0,0,0,0|1,0,1]=4 5255 B14R2.467 CCN[C@H]1COc2c1ccc(c2)F 2230a_100102463760_100000210202 [1,1,0,0,0,0|1,0,1]=4 5256 B14R2.467 CCN[C@H]1COc2c1ccc(c2)F 34a_100102463760_100000210202 [1,1,0,0,0,0|1,0,1]=4 5257 B14R2.467 CCOC1CCc2c1ccc(c2)Br 34a_100000747877_100000210202 [1,1,0,0,0,0|1,0,1]=4 5258 B14R2.467 CCOC1CCc2c1ccc(c2)Br 7a_100000747877_100000210202 [1,1,0,0,0,0|1,0,1]=4 5259 B14R2.467 CCOC1CCc2c1ccc(c2)C 34a_100000103036_100000210202 [1,1,0,0,0,0|1,0,1]=4 5260 B14R2.467 CCOC1CCc2c1ccc(c2)C 7a_100000103036_100000210202 [1,1,0,0,0,0|1,0,1]=4 5261 B14R2.467 CCOC1CCc2c1ccc(c2)Cl 34a_100012002497_100000210202 [1,1,0,0,0,0|1,0,1]=4 5262 B14R2.467 CCOC1CCc2c1ccc(c2)Cl 7a_100012002497_100000210202 [1,1,0,0,0,0|1,0,1]=4 5263 B14R2.467 CCOC1CCc2c1ccc(c2)F 34a_100012002498_100000210202 [1,1,0,0,0,0|1,0,1]=4 5264 B14R2.467 CCOC1CCc2c1ccc(c2)F 7a_100012002498_100000210202 [1,1,0,0,0,0|1,0,1]=4 5265 B14R2.467 Cc1ccc2c(c1)CCC2NCF 34a_200000746848_100015361967 [1,1,0,0,0,0|1,0,0]=3 5266 B14R2.467 Cc1ccc2c(c1)CCC2OCF 34a_100000103036_100015361967 [1,1,0,0,0,0|2,0,0]=4 5267 B14R2.467 Cc1ccc2c(c1)CCC2OCF 7a_100000103036_100015361967 [1,1,0,0,0,0|2,0,0]=4 5268 B14R2.467 FCNC1CCc2c1ccc(c2)Br 34a_100000744021_100015361967 [1,1,0,0,0,0|1,0,0]=3 5269 B14R2.467 FCNC1CCc2c1ccc(c2)Cl 34a_100000743821_100015361967 [1,1,0,0,0,0|1,0,0]=3 5270 B14R2.467 FCN[C@@H]1CCc2c1ccc(c2)F 34a_100025717273_100015361967 [1,1,0,0,0,0|1,0,0]=3 5271 B14R2.467 FCN[C@H]1COc2c1ccc(c2)F 34a_100102463760_100015361967 [1,1,0,0,0,0|2,0,0]=4 5272 B14R2.467 FCOC1CCc2c1ccc(c2)Br 34a_100000747877_100015361967 [1,1,0,0,0,0|2,0,0]=4 5273 B14R2.467 FCOC1CCc2c1ccc(c2)Br 7a_100000747877_100015361967 [1,1,0,0,0,0|2,0,0]=4 5274 B14R2.467 FCOC1CCc2c1ccc(c2)Cl 34a_100012002497_100015361967 [1,1,0,0,0,0|2,0,0]=4 5275 B14R2.467 FCOC1CCc2c1ccc(c2)Cl 7a_100012002497_100015361967 [1,1,0,0,0,0|2,0,0]=4 5276 B14R2.467 FCOC1CCc2c1ccc(c2)F 34a_100012002498_100015361967 [1,1,0,0,0,0|2,0,0]=4 5277 B14R2.467 FCOC1CCc2c1ccc(c2)F 7a_100012002498_100015361967 [1,1,0,0,0,0|2,0,0]=4 5278 B14R2.510 CCNC1CC(=O)c2c1cccc2 2230a_100015525214_100010208147 [1,1,0,0,0,0|0,0,2]=4 5279 B14R2.510 CCNC1CC(c2c1cccc2)C 269862a_100015525214_100000750356 [1,1,0,0,0,0|0,0,1]=3 5280 B14R2.517 CCN[C@H]1c2ccccc2C[C@H]1O 2230a_100000744645_100000210202 [1,1,0,0,0,0|0,0,1]=3 5281 B14R2.6368 CCNC1CCc2c1c(ccc2)Br 2230a_100103168669_100000210202 [1,1,0,0,0,0|0,0,1]=3 5282 B14R2.6368 CCNC1CCc2c1c(ccc2)Br 34a_100103168669_100000210202 [1,1,0,0,0,0|0,0,1]=3 5283 B14R2.6368 CCN[C@@H]1COc2c1c(ccc2)F 2230a_200015272058_100000210202 [1,1,0,0,0,0|1,0,1]=4 5284 B14R2.6368 CCN[C@@H]1COc2c1c(ccc2)F 34a_200015272058_100000210202 [1,1,0,0,0,0|1,0,1]=4 5285 B14R2.6368 FCNC1CCc2c1c(ccc2)Br 34a_100103168669_100015361967 [1,1,0,0,0,0|1,0,0]=3 5286 B14R2.6368 FCN[C@@H]1COc2c1c(ccc2)F 34a_200015272058_100015361967 [1,1,0,0,0,0|2,0,0]=4 5287 B14R2.6419 CCNC1CCc2c1cc(cc2)Br 2230a_100011435097_100000210202 [1,1,0,0,0,0|0,0,1]=3 5288 B14R2.6419 CCNC1CCc2c1cc(cc2)Br 269862a_100015525214_100000759401 [1,1,0,0,0,0|0,0,1]=3 5289 B14R2.6419 CCNC1CCc2c1cc(cc2)Br 34a_100011435097_100000210202 [1,1,0,0,0,0|0,0,1]=3 5290 B14R2.6419 CCNC1CCc2c1cc(cc2)C 269862a_100015525214_100000753597 [1,1,0,0,0,0|0,0,1]=3 5291 B14R2.6419 CCNC1CCc2c1cc(cc2)Cl 2230a_100016987686_100000210202 [1,1,0,0,0,0|0,0,1]=3 5292 B14R2.6419 CCNC1CCc2c1cc(cc2)Cl 269862a_100015525214_100000759629 [1,1,0,0,0,0|0,0,1]=3 5293 B14R2.6419 CCNC1CCc2c1cc(cc2)Cl 34a_100016987686_100000210202 [1,1,0,0,0,0|0,0,1]=3 5294 B14R2.6419 CCNC1CCc2c1cc(cc2)F 2230a_100000752734_100000210202 [1,1,0,0,0,0|0,0,1]=3 5295 B14R2.6419 CCNC1CCc2c1cc(cc2)F 269862a_100015525214_100000759630 [1,1,0,0,0,0|0,0,1]=3 5296 B14R2.6419 CCNC1CCc2c1cc(cc2)F 34a_100000752734_100000210202 [1,1,0,0,0,0|0,0,1]=3 5297 B14R2.6419 CCNC1CCc2c1cc(cc2)I 269862a_100015525214_100011356848 [1,1,0,0,0,0|0,0,1]=3 5298 B14R2.6419 CCNC1CCc2c1cc(cn2)Br 269862a_100015525214_100010174022 [1,1,0,0,0,0|1,0,1]=4 5299 B14R2.6419 CCNC1COc2c1cc(cc2)Cl 2230a_100000705955_100000210202 [1,1,0,0,0,0|1,0,1]=4 5300 B14R2.6419 CCN[C@@H]1COc2c1cc(cc2)F 2230a_100161114692_100000210202 [1,1,0,0,0,0|1,0,1]=4 5301 B14R2.6419 CCN[C@@H]1COc2c1cc(cc2)F 34a_100161114692_100000210202 [1,1,0,0,0,0|1,0,1]=4 5302 B14R2.6419 CCOC1CCc2c1cc(cc2)Br 34a_100011836024_100000210202 [1,1,0,0,0,0|1,0,1]=4 5303 B14R2.6419 CCOC1CCc2c1cc(cc2)Br 7a_100011836024_100000210202 [1,1,0,0,0,0|1,0,1]=4 5304 B14R2.6419 FCNC1CCc2c1cc(cc2)Br 34a_100011435097_100015361967 [1,1,0,0,0,0|1,0,0]=3 5305 B14R2.6419 FCNC1CCc2c1cc(cc2)Cl 34a_100016987686_100015361967 [1,1,0,0,0,0|1,0,0]=3 5306 B14R2.6419 FCNC1CCc2c1cc(cc2)F 34a_100000752734_100015361967 [1,1,0,0,0,0|1,0,0]=3 5307 B14R2.6419 FCN[C@@H]1COc2c1cc(cc2)F 34a_100161114692_100015361967 [1,1,0,0,0,0|2,0,0]=4 5308 B14R2.6419 FCOC1CCc2c1cc(cc2)Br 34a_100011836024_100015361967 [1,1,0,0,0,0|2,0,0]=4 5309 B14R2.6419 FCOC1CCc2c1cc(cc2)Br 7a_100011836024_100015361967 [1,1,0,0,0,0|2,0,0]=4 5310 B14R2.9718 CC1(CCc2c1cccc2)OCF 34a_100000685031_100015361967 [1,1,0,0,0,0|2,0,0]=4 5311 B14R2.9718 CC1(CCc2c1cccc2)OCF 7a_100000685031_100015361967 [1,1,0,0,0,0|2,0,0]=4 5312 B14R2.9718 CCOC1(CCc2c1cccc2)C 34a_100000685031_100000210202 [1,1,0,0,0,0|1,0,1]=4 5313 B14R2.9718 CCOC1(CCc2c1cccc2)C 7a_100000685031_100000210202 [1,1,0,0,0,0|1,0,1]=4 5314 B14R2.9904 C#CCN(C)C1CCn2c1ncc2 270004a_100000225692_100009824702 [0,1,0,0,1,0|2,0,0]=4 5315 B14R2.10893 C#CC(C)NC1CCn2c1ncc2 270004a_100000707721_100009824702 [0,1,0,0,1,0|2,0,0]=4 5316 B14R2.16538 C#CCCSC1Cc2c1cccc2 62a_100000688953_100009813401 [0,1,0,0,1,0|1,0,0]=3 5317 B14R2.16538 C#CCCSC1Cc2c1cccc2 62a_100009813401_100000688953 [0,1,0,0,1,0|1,0,0]=3 5318 B14R2.16538 C#CCOCC1Cc2c1cccc2 34a_100012476685_100000184674 [0,1,0,0,1,0|1,0,0]=3 5319 B14R2.16538 C#CCOCC1Cc2c1cccc2 7a_100012476685_100000038162 [0,1,0,0,1,0|1,0,0]=3 5320 B14R2.16538 CC#CCSC1Cc2c1cccc2 62a_100000748600_100009813401 [0,1,0,0,1,0|1,0,0]=3 5321 B14R2.16538 CC#CCSC1Cc2c1cccc2 62a_100009813401_100000748600 [0,1,0,0,1,0|1,0,0]=3 5322 B14R2.16538 CCCCNC1Cc2c1cccc2 7a_106832991798_100009813401 [0,1,0,0,1,0|0,0,2]=4 5323 B14R2.16538 N#CCCSC1Cc2c1cccc2 62a_100009813401_100011215226 [0,1,0,0,1,0|1,0,1]=4 5324 B14R2.16538 N#CCCSC1Cc2c1cccc2 62a_100011215226_100009813401 [0,1,0,0,1,0|1,0,1]=4 5325 B14R2.16538 N#CCOCC1Cc2c1cccc2 7a_100012476685_100011215382 [0,1,0,0,1,0|2,0,0]=4 5326 B14R2.16538 N#CSCSC1Cc2c1cccc2 62a_100000211825_100009813401 [0,1,0,0,1,0|2,0,0]=4 5327 B14R2.16538 N#CSCSC1Cc2c1cccc2 62a_100009813401_100000211825 [0,1,0,0,1,0|2,0,0]=4 5328 B14R2.31137 O=C(O)CNC1Cc2c1cccc2 269956a_100016091260_100009813401 [0,1,0,0,1,0|1,0,1]=4 5329 B14R2.33858 C#CCC(=O)C1Cc2c1cccc2 1458a_200000238571_100000184674 [0,1,0,0,1,0|1,0,0]=3 5330 B14R2.33858 C=CCN(C)C1Cc2c1cccc2 269982a_100000225617_100009813401 [0,1,0,0,1,0|0,0,2]=4 5331 B14R2.33858 CCCN(C)C1Cc2c1cccc2 269982a_100000747261_100009813401 [0,1,0,0,1,0|0,0,2]=4 5332 B14R2.33858 CN(CCO)C1Cc2c1cccc2 269982a_100000210263_100009813401 [0,1,0,0,1,0|1,0,1]=4 5333 B14R2.33858 N#CCC(=O)C1Cc2c1cccc2 1458a_200000238571_100011214920 [0,1,0,0,1,0|2,0,0]=4 5334 B14R2.35816 C#CC(C)SC1Cc2c1cccc2 62a_200000035995_100009813401 [0,1,0,0,1,0|1,0,0]=3 5335 B14R2.35816 C#C[C@@H](C)OC1Cc2c1cccc2 7a_100009815206_100009813401 [0,1,0,0,1,0|1,0,0]=3 5336 B14R2.35816 CC(C#N)SC1Cc2c1cccc2 62a_100000703298_100009813401 [0,1,0,0,1,0|2,0,0]=4 5337 B14R2.35816 CC(C#N)SC1Cc2c1cccc2 62a_100009813401_100000703298 [0,1,0,0,1,0|2,0,0]=4 5338 B14R2.35816 N#CC(F)SC1Cc2c1cccc2 62a_100009813401_200000117898 [0,1,0,0,1,0|2,0,0]=4 5339 B14R2.35816 N#CC(F)SC1Cc2c1cccc2 62a_200000117898_100009813401 [0,1,0,0,1,0|2,0,0]=4 5340 B16R2.477 C=C(C)CNC1CCc2ccccc2C1 2230a_100000748446_100000748629 [0,1,0,0,0,1|0,0,2]=4 5341 B16R2.477 C=C(C)CNC1CCc2ccccc2C1 34a_100000748446_100000748629 [0,1,0,0,0,1|0,0,2]=4 5342 B16R2.477 C=C(F)CNC1CCc2ccccc2C1 2230a_100000748446_100009893438 [0,1,0,0,0,1|0,0,2]=4 5343 B16R2.477 C=C(F)CNC1CCc2ccccc2C1 34a_100000748446_100009893438 [0,1,0,0,0,1|0,0,2]=4 5344 B16R2.477 CC(C)CNC1CCc2ccccc2C1 2230a_100000748446_100000210760 [0,1,0,0,0,1|0,0,2]=4 5345 B16R2.477 CC(C)CNC1CCc2ccccc2C1 270004a_100000210953_100000212018 [0,1,0,0,0,1|0,0,2]=4 5346 B16R2.477 CC(C)CNC1CCc2ccccc2C1 270004a_100000748446_100000210432 [0,1,0,0,0,1|0,0,2]=4 5347 B16R2.477 CC(C)CNC1CCc2ccccc2C1 34a_100000748446_100000210624 [0,1,0,0,0,1|0,0,2]=4 5348 B16R2.477 CC(O)CNC1CCc2ccccc2C1 2230a_100000748446_100011218427 [0,1,0,0,0,1|0,0,2]=4 5349 B16R2.477 CC(O)CNC1CCc2ccccc2C1 270004a_100000210904_100000212018 [0,1,0,0,0,1|0,0,2]=4 5350 B16R2.477 CC(O)CNC1CCc2ccccc2C1 34a_100000748446_100011218427 [0,1,0,0,0,1|0,0,2]=4 5351 B16R2.477 C[C@@H](O)CNC1CCc2ccccc2C1 2230a_100000748446_100009817552 [0,1,0,0,0,1|0,0,2]=4 5352 B16R2.477 C[C@@H](O)CNC1CCc2ccccc2C1 34a_100000748446_100009817552 [0,1,0,0,0,1|0,0,2]=4 5353 B16R2.477 FC(F)CNC1CCc2ccccc2C1 2230a_100000748446_100011934356 [0,1,0,0,0,1|1,0,1]=4 5354 B16R2.477 FC(F)CNC1CCc2ccccc2C1 270004a_100000765723_100000212018 [0,1,0,0,0,1|1,0,1]=4 5355 B16R2.477 FC(F)CNC1CCc2ccccc2C1 34a_100000748446_100011934356 [0,1,0,0,0,1|1,0,1]=4 5356 B16R2.477 NC(=O)CNC1CCc2ccccc2C1 2230a_100000748446_100000747473 [0,1,0,0,0,1|1,0,1]=4 5357 B16R2.477 NC(=O)CNC1CCc2ccccc2C1 34a_100000748446_100000187820 [0,1,0,0,0,1|1,0,1]=4 5358 B16R2.477 O=C([O-])CNC1CCc2ccccc2C1 34a_100000748446_100020667443 [0,1,0,0,0,1|1,0,1]=4 5359 B16R2.477 O=[N+]([O-])CNC1CCc2ccccc2C1 34a_100000748446_100000761209 [0,1,0,0,0,1|2,0,0]=4 5360 B16R2.767 C#CCC(=O)C1CCc2ccccc2C1 1458a_100011217706_100000184674 [0,1,0,0,0,1|1,0,0]=3 5361 B16R2.767 C#CCC(=O)C1CCc2ccccc2O1 1458a_100000065239_100000184674 [0,1,0,0,0,1|1,0,0]=3 5362 B16R2.767 C#CCC(=O)C1COc2ccccc2C1 1458a_100000203760_100000184674 [0,1,0,0,0,1|2,0,0]=4 5363 B16R2.767 C#CCC(=O)C1COc2ccccc2O1 1458a_100000182656_100000184674 [0,1,0,0,0,1|2,0,0]=4 5364 B16R2.767 C#CCC(=O)C1Cc2ccccc2CO1 1458a_100009880028_100000184674 [0,1,0,0,0,1|2,0,0]=4 5365 B16R2.767 C#CCC(=O)N1CCc2ccccc2C1 1626a_100000188457_100011220946 [0,1,0,0,0,1|2,0,0]=4 5366 B16R2.767 C#CCC(=O)N1CCc2ccccc2C1 527a_100000188457_100011220946 [0,1,0,0,0,1|2,0,0]=4 5367 B16R2.767 C#CCN(C)C1CCc2ccccc2C1 270004a_100000225692_100000212018 [0,1,0,0,0,1|0,0,0]=2 5368 B16R2.767 C#CCN(C)C1COc2ccccc2C1 270004a_100000225692_100000048293 [0,1,0,0,0,1|1,0,0]=3 5369 B16R2.767 C=CCN(C)C1CCc2ccccc2C1 270004a_100000225617_100000212018 [0,1,0,0,0,1|0,0,2]=4 5370 B16R2.767 CCCN(C)C1CCc2ccccc2C1 2230a_100000744008_200000210301 [0,1,0,0,0,1|0,0,2]=4 5371 B16R2.767 CCCN(C)C1CCc2ccccc2C1 269982a_100000744008_200000210301 [0,1,0,0,0,1|0,0,2]=4 5372 B16R2.767 CCCN(C)C1CCc2ccccc2C1 270004a_100000747261_100000212018 [0,1,0,0,0,1|0,0,2]=4 5373 B16R2.767 CCCN(C)C1CCc2ccccc2C1 34a_100000744008_200000210301 [0,1,0,0,0,1|0,0,2]=4 5374 B16R2.767 CCCN([13CH3])C1CCc2ccccc2C1 2230a_100000744008_200025704644 [0,1,0,0,0,1|0,0,2]=4 5375 B16R2.767 CCCN([13CH3])C1CCc2ccccc2C1 269982a_100000744008_200025704644 [0,1,0,0,0,1|0,0,2]=4 5376 B16R2.767 CCCN([13CH3])C1CCc2ccccc2C1 34a_100000744008_200025704644 [0,1,0,0,0,1|0,0,2]=4 5377 B16R2.767 CN(CCO)C1CCc2ccccc2C1 270004a_100000210263_100000212018 [0,1,0,0,0,1|1,0,1]=4 5378 B16R2.767 N#CCC(=O)C1CCc2ccccc2C1 1458a_100011217706_100011214920 [0,1,0,0,0,1|2,0,0]=4 5379 B16R2.767 N#CCC(=O)C1CCc2ccccc2O1 1458a_100000065239_100011214920 [0,1,0,0,0,1|2,0,0]=4 5380 B16R2.1054 C#CCCN1Cc2ccccc2C(C1)C 2230a_100015190047_100000688953 [0,1,0,0,0,1|2,0,0]=4 5381 B16R2.1054 C#CCCN1Cc2ccccc2C(C1)C 269982a_100015190047_100000730999 [0,1,0,0,0,1|2,0,0]=4 5382 B16R2.1054 C#CCCN1Cc2ccccc2C(C1)C 34a_100015190047_100000688953 [0,1,0,0,0,1|2,0,0]=4 5383 B16R2.1285 C#CCCN1CCc2ccc(cc2C1)Br 2230a_100015189961_100000688953 [0,1,0,0,0,1|2,0,0]=4 5384 B16R2.1285 C#CCCN1CCc2ccc(cc2C1)Br 269982a_100015189961_100000730999 [0,1,0,0,0,1|2,0,0]=4 5385 B16R2.1285 C#CCCN1CCc2ccc(cc2C1)Br 34a_100015189961_100000688953 [0,1,0,0,0,1|2,0,0]=4 5386 B16R2.1285 C#CCCN1CCc2ccc(cc2C1)C 2230a_100011255368_100000688953 [0,1,0,0,0,1|2,0,0]=4 5387 B16R2.1285 C#CCCN1CCc2ccc(cc2C1)C 269982a_100011255368_100000730999 [0,1,0,0,0,1|2,0,0]=4 5388 B16R2.1285 C#CCCN1CCc2ccc(cc2C1)C 34a_100011255368_100000688953 [0,1,0,0,0,1|2,0,0]=4 5389 B16R2.1285 C#CCCN1CCc2ccc(cc2C1)Cl 2230a_100000690163_100000688953 [0,1,0,0,0,1|2,0,0]=4 5390 B16R2.1285 C#CCCN1CCc2ccc(cc2C1)Cl 269982a_100000690163_100000730999 [0,1,0,0,0,1|2,0,0]=4 5391 B16R2.1285 C#CCCN1CCc2ccc(cc2C1)Cl 34a_100000690163_100000688953 [0,1,0,0,0,1|2,0,0]=4 5392 B16R2.1285 C#CCCN1CCc2ccc(cc2C1)F 2230a_100000755980_100000688953 [0,1,0,0,0,1|2,0,0]=4 5393 B16R2.1285 C#CCCN1CCc2ccc(cc2C1)F 269982a_100000755980_100000730999 [0,1,0,0,0,1|2,0,0]=4 5394 B16R2.1285 C#CCCN1CCc2ccc(cc2C1)F 34a_100000755980_100000688953 [0,1,0,0,0,1|2,0,0]=4 5395 B16R2.1285 C#CCCN1CCc2ccc(cc2C1)O 2230a_100015185785_100000688953 [0,1,0,0,0,1|2,0,0]=4 5396 B16R2.1285 C#CCCN1CCc2ccc(cc2C1)O 269982a_100015185785_100000730999 [0,1,0,0,0,1|2,0,0]=4 5397 B16R2.1285 C#CCCN1CCc2ccc(cc2C1)O 34a_100015185785_100000688953 [0,1,0,0,0,1|2,0,0]=4 5398 B16R2.1285 C#CCN[C@@H]1CCc2ccc(cc2C1)O 2230a_100015730448_100000038162 [0,1,0,0,0,1|0,0,0]=2 5399 B16R2.1285 C#CCN[C@@H]1CCc2ccc(cc2C1)O 34a_100015730448_100000184674 [0,1,0,0,0,1|0,0,0]=2 5400 B16R2.1285 C=CCNC1CCc2ccc(cc2C1)Br 270004a_100020586998_100010138410 [0,1,0,0,0,1|0,0,2]=4 5401 B16R2.1285 C=CCNC1CCc2ccc(cc2C1)Cl 270004a_100020586998_100000117158 [0,1,0,0,0,1|0,0,2]=4 5402 B16R2.1285 C=CCNC1CCc2ccc(cc2C1)O 270004a_100020586998_200000081095 [0,1,0,0,0,1|0,0,2]=4 5403 B16R2.1285 C=CCN[C@@H]1CCc2ccc(cc2C1)O 2230a_100015730448_100000210623 [0,1,0,0,0,1|0,0,2]=4 5404 B16R2.1285 C=CCN[C@@H]1CCc2ccc(cc2C1)O 34a_100015730448_100015514636 [0,1,0,0,0,1|0,0,2]=4 5405 B16R2.1285 CCCNC1CCc2ccc(cc2C1)Br 270004a_100020643023_100010138410 [0,1,0,0,0,1|0,0,2]=4 5406 B16R2.1285 CCCNC1CCc2ccc(cc2C1)Cl 270004a_100020643023_100000117158 [0,1,0,0,0,1|0,0,2]=4 5407 B16R2.1285 CCCNC1CCc2ccc(cc2C1)O 270004a_100020643023_200000081095 [0,1,0,0,0,1|0,0,2]=4 5408 B16R2.1285 CCCN[C@@H]1CCc2ccc(cc2C1)O 2230a_100015730448_100000210303 [0,1,0,0,0,1|0,0,2]=4 5409 B16R2.1285 CCCN[C@@H]1CCc2ccc(cc2C1)O 34a_100015730448_100000210303 [0,1,0,0,0,1|0,0,2]=4 5410 B16R2.1285 COCN[C@@H]1CCc2ccc(cc2C1)O 2230a_100015730448_100000766300 [0,1,0,0,0,1|1,0,1]=4 5411 B16R2.1285 CSCN[C@@H]1CCc2ccc(cc2C1)O 2230a_100015730448_100011218213 [0,1,0,0,0,1|1,0,1]=4 5412 B16R2.1285 CSCN[C@@H]1CCc2ccc(cc2C1)O 34a_100015730448_100011218213 [0,1,0,0,0,1|1,0,1]=4 5413 B16R2.1285 N#CCN[C@@H]1CCc2ccc(cc2C1)O 2230a_100015730448_100011215382 [0,1,0,0,0,1|1,0,0]=3 5414 B16R2.1285 O=CCN[C@@H]1CCc2ccc(cc2C1)O 2230a_100015730448_200015260668 [0,1,0,0,0,1|1,0,1]=4 5415 B16R2.1285 O=CCN[C@@H]1CCc2ccc(cc2C1)O 34a_100015730448_200009817547 [0,1,0,0,0,1|1,0,1]=4 5416 B16R2.1285 OCCNC1CCc2ccc(cc2C1)Br 270004a_100000210304_100010138410 [0,1,0,0,0,1|1,0,1]=4 5417 B16R2.1285 OCCNC1CCc2ccc(cc2C1)Cl 270004a_100000210304_100000117158 [0,1,0,0,0,1|1,0,1]=4 5418 B16R2.1285 OCCNC1CCc2ccc(cc2C1)O 270004a_100000210304_200000081095 [0,1,0,0,0,1|1,0,1]=4 5419 B16R2.1285 OCCN[C@@H]1CCc2ccc(cc2C1)O 2230a_100015730448_100000211926 [0,1,0,0,0,1|1,0,1]=4 5420 B16R2.1285 OCCN[C@@H]1CCc2ccc(cc2C1)O 34a_100015730448_100000211926 [0,1,0,0,0,1|1,0,1]=4 5421 B16R2.1285 Oc1ccc2c(c1)C[C@@H](CC2)NCCF 2230a_100015730448_100011217306 [0,1,0,0,0,1|1,0,1]=4 5422 B16R2.1285 Oc1ccc2c(c1)C[C@@H](CC2)NCCF 34a_100015730448_100011217306 [0,1,0,0,0,1|1,0,1]=4 5423 B16R2.1293 C#CCCN1CCc2cccc(c2C1)Br 2230a_100000687140_100000688953 [0,1,0,0,0,1|2,0,0]=4 5424 B16R2.1293 C#CCCN1CCc2cccc(c2C1)Br 269982a_100000687140_100000730999 [0,1,0,0,0,1|2,0,0]=4 5425 B16R2.1293 C#CCCN1CCc2cccc(c2C1)Br 34a_100000687140_100000688953 [0,1,0,0,0,1|2,0,0]=4 5426 B16R2.1293 C#CCCN1CCc2cccc(c2C1)Cl 2230a_100011273781_100000688953 [0,1,0,0,0,1|2,0,0]=4 5427 B16R2.1293 C#CCCN1CCc2cccc(c2C1)Cl 269982a_100011273781_100000730999 [0,1,0,0,0,1|2,0,0]=4 5428 B16R2.1293 C#CCCN1CCc2cccc(c2C1)Cl 34a_100011273781_100000688953 [0,1,0,0,0,1|2,0,0]=4 5429 B16R2.1293 C#CCCN1CCc2cccc(c2C1)F 2230a_100000695702_100000688953 [0,1,0,0,0,1|2,0,0]=4 5430 B16R2.1293 C#CCCN1CCc2cccc(c2C1)F 269982a_100000695702_100000730999 [0,1,0,0,0,1|2,0,0]=4 5431 B16R2.1293 C#CCCN1CCc2cccc(c2C1)F 34a_100000695702_100000688953 [0,1,0,0,0,1|2,0,0]=4 5432 B16R2.1293 C#CCCN1CCc2cccc(c2C1)O 2230a_100016995156_100000688953 [0,1,0,0,0,1|2,0,0]=4 5433 B16R2.1293 C#CCCN1CCc2cccc(c2C1)O 269982a_100016995156_100000730999 [0,1,0,0,0,1|2,0,0]=4 5434 B16R2.1293 C#CCCN1CCc2cccc(c2C1)O 34a_100016995156_100000688953 [0,1,0,0,0,1|2,0,0]=4 5435 B16R2.1293 C#CCOC1CCc2cccc(c2C1)N 34a_200000100485_100000184674 [0,1,0,0,0,1|1,0,0]=3 5436 B16R2.1293 C=CCNC1CCc2cccc(c2C1)Br 270004a_100020586998_100010006498 [0,1,0,0,0,1|0,0,2]=4 5437 B16R2.1293 CCCNC1CCc2cccc(c2C1)Br 270004a_100020643023_100010006498 [0,1,0,0,0,1|0,0,2]=4 5438 B16R2.1293 OCCNC1CCc2cccc(c2C1)Br 270004a_100000210304_100010006498 [0,1,0,0,0,1|1,0,1]=4 5439 B16R2.2441 C#CCCCN1CCc2ccccc2C1 2230a_100000188457_100000731252 [0,1,0,0,0,1|2,0,0]=4 5440 B16R2.2441 C#CCCCN1CCc2ccccc2C1 269982a_100000188457_100011215417 [0,1,0,0,0,1|2,0,0]=4 5441 B16R2.2441 C#CCCCN1CCc2ccccc2C1 34a_100000188457_100000695029 [0,1,0,0,0,1|2,0,0]=4 5442 B16R2.2441 C#CCCNC1CCc2ccccc2C1 2230a_100000748446_100000688953 [0,1,0,0,0,1|0,0,0]=2 5443 B16R2.2441 C#CCCNC1CCc2ccccc2C1 34a_100000748446_100000688953 [0,1,0,0,0,1|0,0,0]=2 5444 B16R2.2441 C#CCCNC1COc2ccccc2C1 2230a_100000739546_100000688953 [0,1,0,0,0,1|1,0,0]=3 5445 B16R2.2441 C#CCCOC1CCc2ccccc2C1 34a_100011216300_100000688953 [0,1,0,0,0,1|1,0,0]=3 5446 B16R2.2441 C#CCCOC1CCc2ccccc2C1 7a_100011216300_100000688953 [0,1,0,0,0,1|1,0,0]=3 5447 B16R2.2441 C#CCCOC1Cc2ccccc2CO1 34a_200000095866_100000688953 [0,1,0,0,0,1|2,0,0]=4 5448 B16R2.2441 C#CCNCC1CCc2ccccc2O1 2230a_100102422350_100000038162 [0,1,0,0,0,1|0,0,0]=2 5449 B16R2.2441 C#CCNCC1CCc2ccccc2O1 34a_100102422350_100000184674 [0,1,0,0,0,1|0,0,0]=2 5450 B16R2.2441 C#CCNCC1COc2ccccc2C1 2230a_100000703909_100000038162 [0,1,0,0,0,1|1,0,0]=3 5451 B16R2.2441 C#CCNCC1COc2ccccc2C1 34a_100000703909_100000184674 [0,1,0,0,0,1|1,0,0]=3 5452 B16R2.2441 C#CCNCC1COc2ccccc2O1 2230a_100000682559_100000038162 [0,1,0,0,0,1|1,0,0]=3 5453 B16R2.2441 C#CCNCC1COc2ccccc2O1 34a_100000212058_100011215957 [0,1,0,0,0,1|1,0,0]=3 5454 B16R2.2441 C#CCNCC1COc2ccccc2O1 34a_100000682559_100000184674 [0,1,0,0,0,1|1,0,0]=3 5455 B16R2.2441 C#CCOCC1CCc2ccccc2N1 34a_100012182721_100000184674 [0,1,0,0,0,1|1,0,0]=3 5456 B16R2.2441 C#CCOCC1CCc2ccccc2O1 34a_100000068379_100000184674 [0,1,0,0,0,1|1,0,0]=3 5457 B16R2.2441 C#CCOCC1CCc2ccccc2O1 7a_100000068379_100000038162 [0,1,0,0,0,1|1,0,0]=3 5458 B16R2.2441 C#CCOCC1CNc2ccccc2O1 34a_100000687696_100000184674 [0,1,0,0,0,1|2,0,0]=4 5459 B16R2.2441 C#CCOCC1COc2ccccc2C1 34a_100011273996_100000184674 [0,1,0,0,0,1|2,0,0]=4 5460 B16R2.2441 C#CCOCC1COc2ccccc2O1 34a_100000184353_100000184674 [0,1,0,0,0,1|2,0,0]=4 5461 B16R2.2441 C#CCOCC1COc2ccccc2O1 34a_100000210247_100011215957 [0,1,0,0,0,1|2,0,0]=4 5462 B16R2.2441 C#CCOC[C@@H]1Cc2ccccc2CN1 34a_100011416757_100000184674 [0,1,0,0,0,1|2,0,0]=4 5463 B16R2.2441 C#CCSCC1COc2ccccc2O1 62a_100000038162_100011215957 [0,1,0,0,0,1|2,0,0]=4 5464 B16R2.2441 C/C=C/CNC1CCc2ccccc2C1 34a_100000748446_100102629194 [0,1,0,0,0,1|0,0,2]=4 5465 B16R2.2441 C=CCCNC1CCc2ccccc2C1 2230a_100000748446_100000754431 [0,1,0,0,0,1|0,0,2]=4 5466 B16R2.2441 C=CCCNC1CCc2ccccc2C1 270004a_100015191253_100000212018 [0,1,0,0,0,1|0,0,2]=4 5467 B16R2.2441 C=CCCNC1CCc2ccccc2C1 34a_100000748446_100000754431 [0,1,0,0,0,1|0,0,2]=4 5468 B16R2.2441 C=CCNCC1CCc2ccccc2O1 2230a_100102422350_100000210623 [0,1,0,0,0,1|0,0,2]=4 5469 B16R2.2441 C=CCNCC1CCc2ccccc2O1 34a_100102422350_100015514636 [0,1,0,0,0,1|0,0,2]=4 5470 B16R2.2441 CC#CCNC1CCc2ccccc2C1 2230a_100000748446_100000748600 [0,1,0,0,0,1|0,0,0]=2 5471 B16R2.2441 CC#CCNC1CCc2ccccc2C1 34a_100000748446_100000748600 [0,1,0,0,0,1|0,0,0]=2 5472 B16R2.2441 CC#CCNC1COc2ccccc2C1 2230a_100000739546_100000748600 [0,1,0,0,0,1|1,0,0]=3 5473 B16R2.2441 CC#CCOC1CCc2ccccc2C1 34a_100011216300_100000748600 [0,1,0,0,0,1|1,0,0]=3 5474 B16R2.2441 CC#CCOC1CCc2ccccc2C1 7a_100011216300_100000748600 [0,1,0,0,0,1|1,0,0]=3 5475 B16R2.2441 CC#CCOC1Cc2ccccc2CO1 34a_200000095866_100000748600 [0,1,0,0,0,1|2,0,0]=4 5476 B16R2.2441 CC=CCNC1CCc2ccccc2C1 2230a_100000748446_100000070051 [0,1,0,0,0,1|0,0,2]=4 5477 B16R2.2441 CC=CCNC1CCc2ccccc2C1 34a_100000748446_100000070051 [0,1,0,0,0,1|0,0,2]=4 5478 B16R2.2441 CCCCNC1CCc2ccccc2C1 2230a_100000748446_100000210211 [0,1,0,0,0,1|0,0,2]=4 5479 B16R2.2441 CCCCNC1CCc2ccccc2C1 270004a_100000102301_100000212018 [0,1,0,0,0,1|0,0,2]=4 5480 B16R2.2441 CCCCNC1CCc2ccccc2C1 34a_100000748446_100000210210 [0,1,0,0,0,1|0,0,2]=4 5481 B16R2.2441 CCCNCC1CCc2ccccc2O1 2230a_100102422350_100000210303 [0,1,0,0,0,1|0,0,2]=4 5482 B16R2.2441 CCCNCC1CCc2ccccc2O1 34a_100102422350_100000210303 [0,1,0,0,0,1|0,0,2]=4 5483 B16R2.2441 COCCNC1CCc2ccccc2C1 2230a_100000748446_100011201679 [0,1,0,0,0,1|0,0,2]=4 5484 B16R2.2441 COCCNC1CCc2ccccc2C1 270004a_100000209980_100000212018 [0,1,0,0,0,1|0,0,2]=4 5485 B16R2.2441 COCCNC1CCc2ccccc2C1 34a_100000748446_100011201679 [0,1,0,0,0,1|0,0,2]=4 5486 B16R2.2441 COCNCC1CCc2ccccc2O1 2230a_100102422350_100000766300 [0,1,0,0,0,1|1,0,1]=4 5487 B16R2.2441 CSCCNC1CCc2ccccc2C1 2230a_100000748446_100000751147 [0,1,0,0,0,1|0,0,2]=4 5488 B16R2.2441 CSCCNC1CCc2ccccc2C1 270004a_100020590264_100000212018 [0,1,0,0,0,1|0,0,2]=4 5489 B16R2.2441 CSCCNC1CCc2ccccc2C1 34a_100000748446_100000212216 [0,1,0,0,0,1|0,0,2]=4 5490 B16R2.2441 CSCNCC1CCc2ccccc2O1 2230a_100102422350_100011218213 [0,1,0,0,0,1|1,0,1]=4 5491 B16R2.2441 CSCNCC1CCc2ccccc2O1 34a_100102422350_100011218213 [0,1,0,0,0,1|1,0,1]=4 5492 B16R2.2441 FCCCNC1CCc2ccccc2C1 2230a_100000748446_100011934791 [0,1,0,0,0,1|0,0,2]=4 5493 B16R2.2441 FCCCNC1CCc2ccccc2C1 270004a_100015189416_100000212018 [0,1,0,0,0,1|0,0,2]=4 5494 B16R2.2441 FCCCNC1CCc2ccccc2C1 34a_100000748446_100011934791 [0,1,0,0,0,1|0,0,2]=4 5495 B16R2.2441 FCCNCC1CCc2ccccc2O1 2230a_100102422350_100011217306 [0,1,0,0,0,1|1,0,1]=4 5496 B16R2.2441 FCCNCC1CCc2ccccc2O1 34a_100102422350_100011217306 [0,1,0,0,0,1|1,0,1]=4 5497 B16R2.2441 N#CCCNC1CCc2ccccc2C1 2230a_100000748446_100011215226 [0,1,0,0,0,1|0,0,1]=3 5498 B16R2.2441 N#CCCNC1CCc2ccccc2C1 270004a_100000720768_100000212018 [0,1,0,0,0,1|0,0,1]=3 5499 B16R2.2441 N#CCCNC1COc2ccccc2C1 2230a_100000739546_100011215226 [0,1,0,0,0,1|1,0,1]=4 5500 B16R2.2441 N#CCCNC1COc2ccccc2C1 270004a_100000720768_100000048293 [0,1,0,0,0,1|1,0,1]=4 5501 B16R2.2441 N#CCCOC1CCc2ccccc2C1 7a_100011216300_100000184422 [0,1,0,0,0,1|1,0,1]=4 5502 B16R2.2441 N#CCNCC1CCc2ccccc2O1 2230a_100102422350_100011215382 [0,1,0,0,0,1|1,0,0]=3 5503 B16R2.2441 N#CCNCC1COc2ccccc2C1 2230a_100000703909_100011215382 [0,1,0,0,0,1|2,0,0]=4 5504 B16R2.2441 N#CCNCC1COc2ccccc2O1 2230a_100000682559_100011215382 [0,1,0,0,0,1|2,0,0]=4 5505 B16R2.2441 N#CCOCC1CCc2ccccc2O1 7a_100000068379_100011215382 [0,1,0,0,0,1|2,0,0]=4 5506 B16R2.2441 O=CCNCC1CCc2ccccc2O1 2230a_100102422350_200015260668 [0,1,0,0,0,1|1,0,1]=4 5507 B16R2.2441 O=CCNCC1CCc2ccccc2O1 34a_100102422350_200009817547 [0,1,0,0,0,1|1,0,1]=4 5508 B16R2.2441 OCCCNC1CCc2ccccc2C1 2230a_100000748446_100000230001 [0,1,0,0,0,1|0,0,2]=4 5509 B16R2.2441 OCCCNC1CCc2ccccc2C1 270004a_100000182051_100000212018 [0,1,0,0,0,1|0,0,2]=4 5510 B16R2.2441 OCCCNC1CCc2ccccc2C1 34a_100000748446_100000230001 [0,1,0,0,0,1|0,0,2]=4 5511 B16R2.2441 OCCNCC1CCc2ccccc2O1 2230a_100102422350_100000211926 [0,1,0,0,0,1|1,0,1]=4 5512 B16R2.2441 OCCNCC1CCc2ccccc2O1 34a_100102422350_100000211926 [0,1,0,0,0,1|1,0,1]=4 5513 B16R2.2942 C#CCCN1CCc2ccccc2C1C 2230a_100011660714_100000688953 [0,1,0,0,0,1|2,0,0]=4 5514 B16R2.2942 C#CCCN1CCc2ccccc2C1C 269982a_100011660714_100000730999 [0,1,0,0,0,1|2,0,0]=4 5515 B16R2.2942 C#CCCN1CCc2ccccc2C1C 34a_100011660714_100000688953 [0,1,0,0,0,1|2,0,0]=4 5516 B16R2.2942 C#CCNC1CCc2ccccc2C1=O 34a_100000212058_100000229917 [0,1,0,0,0,1|0,0,0]=2 5517 B16R2.2942 C#CCOC1CCc2ccccc2C1=O 34a_100000210247_100000229917 [0,1,0,0,0,1|1,0,0]=3 5518 B16R2.2942 C#CCSC1CCc2ccccc2C1=O 62a_100000038162_100000229917 [0,1,0,0,0,1|1,0,0]=3 5519 B16R2.2942 C=CCNC1CCc2ccccc2C1=O 2230a_100020586998_100000229917 [0,1,0,0,0,1|0,0,2]=4 5520 B16R2.2942 N#CCSC1CCc2ccccc2C1=O 62a_100000229917_100011215382 [0,1,0,0,0,1|2,0,0]=4 5521 B16R2.2942 N#CCSC1CCc2ccccc2C1=O 62a_100011215382_100000229917 [0,1,0,0,0,1|2,0,0]=4 5522 B16R2.2942 O=C1c2ccccc2CCC1NCCF 34a_100000724931_100000229917 [0,1,0,0,0,1|1,0,1]=4 5523 B16R2.2942 O=C1c2ccccc2CCC1NCCO 2230a_100016997473_100000229917 [0,1,0,0,0,1|1,0,1]=4 5524 B16R2.2942 O=C1c2ccccc2CCC1NCCO 34a_100016990907_100000229917 [0,1,0,0,0,1|1,0,1]=4 5525 B16R2.5347 C#CC(C)NC1CCc2ccccc2C1 270004a_100000707721_100000212018 [0,1,0,0,0,1|0,0,0]=2 5526 B16R2.5347 C#CC(C)NC1CCc2ccccc2C1 34a_100000748446_200000035995 [0,1,0,0,0,1|0,0,0]=2 5527 B16R2.5347 C#CC(C)NC1COc2ccccc2C1 270004a_100000707721_100000048293 [0,1,0,0,0,1|1,0,0]=3 5528 B16R2.5347 C#CC(C)OC1CCc2ccccc2C1 34a_100011216300_200000035995 [0,1,0,0,0,1|1,0,0]=3 5529 B16R2.5347 C#CC(C)OC1Cc2ccccc2CO1 34a_200000095866_200000035995 [0,1,0,0,0,1|2,0,0]=4 5530 B16R2.5347 CC(C#N)NC1CCc2ccccc2C1 2230a_100000748446_100000184139 [0,1,0,0,0,1|1,0,0]=3 5531 B16R2.5347 CC(C#N)NC1COc2ccccc2C1 2230a_100000739546_100000184139 [0,1,0,0,0,1|2,0,0]=4 5532 B16R2.5347 CC(C#N)OC1CCc2ccccc2C1 7a_100011216300_100000703298 [0,1,0,0,0,1|2,0,0]=4 5533 B16R2.5347 CC(CO)NC1CCc2ccccc2C1 2230a_100000748446_100012180447 [0,1,0,0,0,1|1,0,1]=4 5534 B16R2.5347 CC(CO)NC1CCc2ccccc2C1 34a_100000748446_100012180447 [0,1,0,0,0,1|1,0,1]=4 5535 B16R2.5347 CCC(C)NC1CCc2ccccc2C1 2230a_100000748446_100000758301 [0,1,0,0,0,1|0,0,2]=4 5536 B16R2.5347 CCC(C)NC1CCc2ccccc2C1 270004a_100000209981_100000212018 [0,1,0,0,0,1|0,0,2]=4 5537 B16R2.5347 CCC(C)NC1CCc2ccccc2C1 34a_100000748446_100011215416 [0,1,0,0,0,1|0,0,2]=4 5538 B16R2.5347 C[C@H](CF)NC1CCc2ccccc2C1 270004a_100102880703_100000212018 [0,1,0,0,0,1|1,0,1]=4 5539 B16R2.5347 C[C@H](CO)NC1CCc2ccccc2C1 270004a_100000737577_100000212018 [0,1,0,0,0,1|1,0,1]=4 5540 B16R2.30336 C#CCCN1CCc2cc(ccc2C1)Br 2230a_100000686056_100000688953 [0,1,0,0,0,1|2,0,0]=4 5541 B16R2.30336 C#CCCN1CCc2cc(ccc2C1)Br 269982a_100000686056_100000730999 [0,1,0,0,0,1|2,0,0]=4 5542 B16R2.30336 C#CCCN1CCc2cc(ccc2C1)Br 34a_100000686056_100000688953 [0,1,0,0,0,1|2,0,0]=4 5543 B16R2.30336 C#CCCN1CCc2cc(ccc2C1)C 2230a_100000718575_100000688953 [0,1,0,0,0,1|2,0,0]=4 5544 B16R2.30336 C#CCCN1CCc2cc(ccc2C1)C 269982a_100000718575_100000730999 [0,1,0,0,0,1|2,0,0]=4 5545 B16R2.30336 C#CCCN1CCc2cc(ccc2C1)C 34a_100000718575_100000688953 [0,1,0,0,0,1|2,0,0]=4 5546 B16R2.30336 C#CCCN1CCc2cc(ccc2C1)Cl 2230a_100011273784_100000688953 [0,1,0,0,0,1|2,0,0]=4 5547 B16R2.30336 C#CCCN1CCc2cc(ccc2C1)Cl 269982a_100011273784_100000730999 [0,1,0,0,0,1|2,0,0]=4 5548 B16R2.30336 C#CCCN1CCc2cc(ccc2C1)Cl 34a_100011273784_100000688953 [0,1,0,0,0,1|2,0,0]=4 5549 B16R2.30336 C#CCCN1CCc2cc(ccc2C1)F 2230a_100011273785_100000688953 [0,1,0,0,0,1|2,0,0]=4 5550 B16R2.30336 C#CCCN1CCc2cc(ccc2C1)F 269982a_100011273785_100000730999 [0,1,0,0,0,1|2,0,0]=4 5551 B16R2.30336 C#CCCN1CCc2cc(ccc2C1)F 34a_100011273785_100000688953 [0,1,0,0,0,1|2,0,0]=4 5552 B16R2.30336 C#CCCN1CCc2cc(ccc2C1)O 2230a_100000077532_100000688953 [0,1,0,0,0,1|2,0,0]=4 5553 B16R2.30336 C#CCCN1CCc2cc(ccc2C1)O 269982a_100000077532_100000730999 [0,1,0,0,0,1|2,0,0]=4 5554 B16R2.30336 C#CCCN1CCc2cc(ccc2C1)O 34a_100000077532_100000688953 [0,1,0,0,0,1|2,0,0]=4 5555 B16R2.30336 C#CCOC1CCc2cc(ccc2C1)F 34a_100000081312_100000184674 [0,1,0,0,0,1|1,0,0]=3 5556 B16R2.30336 C#CCOC1CCc2cc(ccc2C1)F 7a_100000081312_100000038162 [0,1,0,0,0,1|1,0,0]=3 5557 B16R2.30336 C=CCNC1CCc2cc(ccc2C1)Br 270004a_100020586998_100000753102 [0,1,0,0,0,1|0,0,2]=4 5558 B16R2.30336 C=CCNC1CCc2cc(ccc2C1)Cl 270004a_100020586998_100000067585 [0,1,0,0,0,1|0,0,2]=4 5559 B16R2.30336 C=CCNC1CCc2cc(ccc2C1)F 270004a_100020586998_100000067110 [0,1,0,0,0,1|0,0,2]=4 5560 B16R2.30336 C=CCNC1CCc2cc(ccc2C1)O 270004a_100020586998_100009852394 [0,1,0,0,0,1|0,0,2]=4 5561 B16R2.30336 CCCNC1CCc2cc(ccc2C1)Br 270004a_100020643023_100000753102 [0,1,0,0,0,1|0,0,2]=4 5562 B16R2.30336 CCCNC1CCc2cc(ccc2C1)Cl 270004a_100020643023_100000067585 [0,1,0,0,0,1|0,0,2]=4 5563 B16R2.30336 CCCNC1CCc2cc(ccc2C1)F 270004a_100020643023_100000067110 [0,1,0,0,0,1|0,0,2]=4 5564 B16R2.30336 CCCNC1CCc2cc(ccc2C1)O 270004a_100020643023_100009852394 [0,1,0,0,0,1|0,0,2]=4 5565 B16R2.30336 N#CCOC1CCc2cc(ccc2C1)F 7a_100000081312_100011215382 [0,1,0,0,0,1|2,0,0]=4 5566 B16R2.30336 OCCNC1CCc2cc(ccc2C1)Br 270004a_100000210304_100000753102 [0,1,0,0,0,1|1,0,1]=4 5567 B16R2.30336 OCCNC1CCc2cc(ccc2C1)Cl 270004a_100000210304_100000067585 [0,1,0,0,0,1|1,0,1]=4 5568 B16R2.30336 OCCNC1CCc2cc(ccc2C1)F 270004a_100000210304_100000067110 [0,1,0,0,0,1|1,0,1]=4 5569 B16R2.30336 OCCNC1CCc2cc(ccc2C1)O 270004a_100000210304_100009852394 [0,1,0,0,0,1|1,0,1]=4 5570 B16R2.163604 C#CCCN1CCc2c(cccc2C1)Br 2230a_100000756787_100000688953 [0,1,0,0,0,1|2,0,0]=4 5571 B16R2.163604 C#CCCN1CCc2c(cccc2C1)Br 269982a_100000756787_100000730999 [0,1,0,0,0,1|2,0,0]=4 5572 B16R2.163604 C#CCCN1CCc2c(cccc2C1)Br 34a_100000756787_100000688953 [0,1,0,0,0,1|2,0,0]=4 5573 B16R2.163604 C#CCCN1CCc2c(cccc2C1)C 2230a_200000752276_100000688953 [0,1,0,0,0,1|2,0,0]=4 5574 B16R2.163604 C#CCCN1CCc2c(cccc2C1)C 269982a_200000752276_100000730999 [0,1,0,0,0,1|2,0,0]=4 5575 B16R2.163604 C#CCCN1CCc2c(cccc2C1)C 34a_200000752276_100000688953 [0,1,0,0,0,1|2,0,0]=4 5576 B16R2.163604 C#CCCN1CCc2c(cccc2C1)Cl 2230a_100015184967_100000688953 [0,1,0,0,0,1|2,0,0]=4 5577 B16R2.163604 C#CCCN1CCc2c(cccc2C1)Cl 269982a_100015184967_100000730999 [0,1,0,0,0,1|2,0,0]=4 5578 B16R2.163604 C#CCCN1CCc2c(cccc2C1)Cl 34a_100015184967_100000688953 [0,1,0,0,0,1|2,0,0]=4 5579 B16R2.163604 C#CCCN1CCc2c(cccc2C1)F 2230a_100016987532_100000688953 [0,1,0,0,0,1|2,0,0]=4 5580 B16R2.163604 C#CCCN1CCc2c(cccc2C1)F 269982a_100016987532_100000730999 [0,1,0,0,0,1|2,0,0]=4 5581 B16R2.163604 C#CCCN1CCc2c(cccc2C1)F 34a_100016987532_100000688953 [0,1,0,0,0,1|2,0,0]=4 5582 B16R2.163604 C#CCCN1CCc2c(cccc2C1)O 2230a_100020635587_100000688953 [0,1,0,0,0,1|2,0,0]=4 5583 B16R2.163604 C#CCCN1CCc2c(cccc2C1)O 269982a_100020635587_100000730999 [0,1,0,0,0,1|2,0,0]=4 5584 B16R2.163604 C#CCCN1CCc2c(cccc2C1)O 34a_100020635587_100000688953 [0,1,0,0,0,1|2,0,0]=4 5585 B16R2.163604 C=CCNC1CCc2c(cccc2C1)Br 270004a_100020586998_100010138409 [0,1,0,0,0,1|0,0,2]=4 5586 B16R2.163604 CCCNC1CCc2c(cccc2C1)Br 270004a_100020643023_100010138409 [0,1,0,0,0,1|0,0,2]=4 5587 B16R2.163604 OCCNC1CCc2c(cccc2C1)Br 270004a_100000210304_100010138409 [0,1,0,0,0,1|1,0,1]=4 5588 B16R2.958 C#CCNC1CCCc2c1ccc(c2)Cl 2230a_100025717365_100000038162 [0,1,0,0,0,1|0,0,0]=2 5589 B16R2.958 C#CCNC1CCCc2c1ccc(c2)Cl 34a_100025717365_100000184674 [0,1,0,0,0,1|0,0,0]=2 5590 B16R2.958 C#CCNC1CCCc2c1ccc(c2)F 2230a_100000695172_100000038162 [0,1,0,0,0,1|0,0,0]=2 5591 B16R2.958 C#CCNC1CCCc2c1ccc(c2)F 34a_100000695172_100000184674 [0,1,0,0,0,1|0,0,0]=2 5592 B16R2.958 C#CCNC1CCOc2c1ccc(c2)F 2230a_100015190460_100000038162 [0,1,0,0,0,1|0,0,0]=2 5593 B16R2.958 C#CCNC1CCOc2c1ccc(c2)F 34a_100015190460_100000184674 [0,1,0,0,0,1|0,0,0]=2 5594 B16R2.958 C#CCN[C@@H]1CCOc2c1ccc(c2)Br 2230a_100020639266_100000038162 [0,1,0,0,0,1|0,0,0]=2 5595 B16R2.958 C#CCN[C@H]1CCCc2c1ccc(c2)Br 2230a_100160469487_100000038162 [0,1,0,0,0,1|0,0,0]=2 5596 B16R2.958 C#CCN[C@H]1CCCc2c1ccc(c2)Br 34a_100160469487_100000184674 [0,1,0,0,0,1|0,0,0]=2 5597 B16R2.958 C#CCOC1CCOc2c1ccc(c2)Br 7a_100012676011_100000038162 [0,1,0,0,0,1|1,0,0]=3 5598 B16R2.958 C=CCNC1CCCc2c1ccc(c2)Cl 2230a_100025717365_100000210623 [0,1,0,0,0,1|0,0,2]=4 5599 B16R2.958 C=CCNC1CCCc2c1ccc(c2)Cl 34a_100025717365_100015514636 [0,1,0,0,0,1|0,0,2]=4 5600 B16R2.958 C=CCNC1CCCc2c1ccc(c2)F 2230a_100000695172_100000210623 [0,1,0,0,0,1|0,0,2]=4 5601 B16R2.958 C=CCNC1CCCc2c1ccc(c2)F 34a_100000695172_100015514636 [0,1,0,0,0,1|0,0,2]=4 5602 B16R2.958 C=CCNC1CCOc2c1ccc(c2)F 2230a_100015190460_100000210623 [0,1,0,0,0,1|0,0,2]=4 5603 B16R2.958 C=CCNC1CCOc2c1ccc(c2)F 34a_100015190460_100015514636 [0,1,0,0,0,1|0,0,2]=4 5604 B16R2.958 C=CCN[C@@H]1CCOc2c1ccc(c2)Br 2230a_100020639266_100000210623 [0,1,0,0,0,1|0,0,2]=4 5605 B16R2.958 C=CCN[C@H]1CCCc2c1ccc(c2)Br 2230a_100160469487_100000210623 [0,1,0,0,0,1|0,0,2]=4 5606 B16R2.958 C=CCN[C@H]1CCCc2c1ccc(c2)Br 34a_100160469487_100015514636 [0,1,0,0,0,1|0,0,2]=4 5607 B16R2.958 CCCNC1CCCc2c1ccc(c2)Br 269862a_100020643023_100000688402 [0,1,0,0,0,1|0,0,2]=4 5608 B16R2.958 CCCNC1CCCc2c1ccc(c2)C 269862a_100020643023_100000074264 [0,1,0,0,0,1|0,0,2]=4 5609 B16R2.958 CCCNC1CCCc2c1ccc(c2)Cl 2230a_100025717365_100000210303 [0,1,0,0,0,1|0,0,2]=4 5610 B16R2.958 CCCNC1CCCc2c1ccc(c2)Cl 269862a_100020643023_100000081257 [0,1,0,0,0,1|0,0,2]=4 5611 B16R2.958 CCCNC1CCCc2c1ccc(c2)Cl 34a_100025717365_100000210303 [0,1,0,0,0,1|0,0,2]=4 5612 B16R2.958 CCCNC1CCCc2c1ccc(c2)F 2230a_100000695172_100000210303 [0,1,0,0,0,1|0,0,2]=4 5613 B16R2.958 CCCNC1CCCc2c1ccc(c2)F 269862a_100020643023_100000090879 [0,1,0,0,0,1|0,0,2]=4 5614 B16R2.958 CCCNC1CCCc2c1ccc(c2)F 34a_100000695172_100000210303 [0,1,0,0,0,1|0,0,2]=4 5615 B16R2.958 CCCNC1CCCc2c1ccc(c2)I 269862a_100020643023_100000050035 [0,1,0,0,0,1|0,0,2]=4 5616 B16R2.958 CCCNC1CCOc2c1ccc(c2)F 2230a_100015190460_100000210303 [0,1,0,0,0,1|0,0,2]=4 5617 B16R2.958 CCCNC1CCOc2c1ccc(c2)F 34a_100015190460_100000210303 [0,1,0,0,0,1|0,0,2]=4 5618 B16R2.958 CCCNC1CCSc2c1ccc(c2)Br 269862a_100020643023_100010688399 [0,1,0,0,0,1|0,0,2]=4 5619 B16R2.958 CCCN[C@@H]1CCOc2c1ccc(c2)Br 2230a_100020639266_100000210303 [0,1,0,0,0,1|0,0,2]=4 5620 B16R2.958 CCCN[C@H]1CCCc2c1ccc(c2)Br 2230a_100160469487_100000210303 [0,1,0,0,0,1|0,0,2]=4 5621 B16R2.958 CCCN[C@H]1CCCc2c1ccc(c2)Br 34a_100160469487_100000210303 [0,1,0,0,0,1|0,0,2]=4 5622 B16R2.958 COCNC1CCCc2c1ccc(c2)Cl 2230a_100025717365_100000766300 [0,1,0,0,0,1|1,0,1]=4 5623 B16R2.958 COCNC1CCCc2c1ccc(c2)F 2230a_100000695172_100000766300 [0,1,0,0,0,1|1,0,1]=4 5624 B16R2.958 COCNC1CCOc2c1ccc(c2)F 2230a_100015190460_100000766300 [0,1,0,0,0,1|1,0,1]=4 5625 B16R2.958 COCN[C@@H]1CCOc2c1ccc(c2)Br 2230a_100020639266_100000766300 [0,1,0,0,0,1|1,0,1]=4 5626 B16R2.958 COCN[C@H]1CCCc2c1ccc(c2)Br 2230a_100160469487_100000766300 [0,1,0,0,0,1|1,0,1]=4 5627 B16R2.958 CSCNC1CCCc2c1ccc(c2)Cl 2230a_100025717365_100011218213 [0,1,0,0,0,1|1,0,1]=4 5628 B16R2.958 CSCNC1CCCc2c1ccc(c2)Cl 34a_100025717365_100011218213 [0,1,0,0,0,1|1,0,1]=4 5629 B16R2.958 CSCNC1CCCc2c1ccc(c2)F 2230a_100000695172_100011218213 [0,1,0,0,0,1|1,0,1]=4 5630 B16R2.958 CSCNC1CCCc2c1ccc(c2)F 34a_100000695172_100011218213 [0,1,0,0,0,1|1,0,1]=4 5631 B16R2.958 CSCNC1CCOc2c1ccc(c2)F 2230a_100015190460_100011218213 [0,1,0,0,0,1|1,0,1]=4 5632 B16R2.958 CSCNC1CCOc2c1ccc(c2)F 34a_100015190460_100011218213 [0,1,0,0,0,1|1,0,1]=4 5633 B16R2.958 CSCN[C@@H]1CCOc2c1ccc(c2)Br 2230a_100020639266_100011218213 [0,1,0,0,0,1|1,0,1]=4 5634 B16R2.958 CSCN[C@H]1CCCc2c1ccc(c2)Br 2230a_100160469487_100011218213 [0,1,0,0,0,1|1,0,1]=4 5635 B16R2.958 CSCN[C@H]1CCCc2c1ccc(c2)Br 34a_100160469487_100011218213 [0,1,0,0,0,1|1,0,1]=4 5636 B16R2.958 Cc1ccc2c(c1)CCCC2NCCF 269862a_100000724931_100000074264 [0,1,0,0,0,1|1,0,1]=4 5637 B16R2.958 Cc1ccc2c(c1)CCCC2NCCO 269862a_100000210304_100000074264 [0,1,0,0,0,1|1,0,1]=4 5638 B16R2.958 FCCNC1CCCc2c1ccc(c2)Br 269862a_100000724931_100000688402 [0,1,0,0,0,1|1,0,1]=4 5639 B16R2.958 FCCNC1CCCc2c1ccc(c2)Cl 2230a_100025717365_100011217306 [0,1,0,0,0,1|1,0,1]=4 5640 B16R2.958 FCCNC1CCCc2c1ccc(c2)Cl 269862a_100000724931_100000081257 [0,1,0,0,0,1|1,0,1]=4 5641 B16R2.958 FCCNC1CCCc2c1ccc(c2)Cl 34a_100025717365_100011217306 [0,1,0,0,0,1|1,0,1]=4 5642 B16R2.958 FCCNC1CCCc2c1ccc(c2)F 2230a_100000695172_100011217306 [0,1,0,0,0,1|1,0,1]=4 5643 B16R2.958 FCCNC1CCCc2c1ccc(c2)F 269862a_100000724931_100000090879 [0,1,0,0,0,1|1,0,1]=4 5644 B16R2.958 FCCNC1CCCc2c1ccc(c2)F 34a_100000695172_100011217306 [0,1,0,0,0,1|1,0,1]=4 5645 B16R2.958 FCCNC1CCCc2c1ccc(c2)I 269862a_100000724931_100000050035 [0,1,0,0,0,1|1,0,1]=4 5646 B16R2.958 FCCNC1CCOc2c1ccc(c2)F 2230a_100015190460_100011217306 [0,1,0,0,0,1|1,0,1]=4 5647 B16R2.958 FCCNC1CCOc2c1ccc(c2)F 34a_100015190460_100011217306 [0,1,0,0,0,1|1,0,1]=4 5648 B16R2.958 FCCNC1CCSc2c1ccc(c2)Br 269862a_100000724931_100010688399 [0,1,0,0,0,1|1,0,1]=4 5649 B16R2.958 FCCN[C@@H]1CCOc2c1ccc(c2)Br 2230a_100020639266_100011217306 [0,1,0,0,0,1|1,0,1]=4 5650 B16R2.958 FCCN[C@H]1CCCc2c1ccc(c2)Br 2230a_100160469487_100011217306 [0,1,0,0,0,1|1,0,1]=4 5651 B16R2.958 FCCN[C@H]1CCCc2c1ccc(c2)Br 34a_100160469487_100011217306 [0,1,0,0,0,1|1,0,1]=4 5652 B16R2.958 N#CCNC1CCCc2c1ccc(c2)Cl 2230a_100025717365_100011215382 [0,1,0,0,0,1|1,0,0]=3 5653 B16R2.958 N#CCNC1CCCc2c1ccc(c2)F 2230a_100000695172_100011215382 [0,1,0,0,0,1|1,0,0]=3 5654 B16R2.958 N#CCNC1CCOc2c1ccc(c2)F 2230a_100015190460_100011215382 [0,1,0,0,0,1|1,0,0]=3 5655 B16R2.958 N#CCN[C@@H]1CCOc2c1ccc(c2)Br 2230a_100020639266_100011215382 [0,1,0,0,0,1|1,0,0]=3 5656 B16R2.958 N#CCN[C@H]1CCCc2c1ccc(c2)Br 2230a_100160469487_100011215382 [0,1,0,0,0,1|1,0,0]=3 5657 B16R2.958 N#CCOC1CCOc2c1ccc(c2)Br 7a_100012676011_100011215382 [0,1,0,0,0,1|2,0,0]=4 5658 B16R2.958 O=CCNC1CCCc2c1ccc(c2)Cl 2230a_100025717365_200015260668 [0,1,0,0,0,1|1,0,1]=4 5659 B16R2.958 O=CCNC1CCCc2c1ccc(c2)Cl 34a_100025717365_200009817547 [0,1,0,0,0,1|1,0,1]=4 5660 B16R2.958 O=CCNC1CCCc2c1ccc(c2)F 2230a_100000695172_200015260668 [0,1,0,0,0,1|1,0,1]=4 5661 B16R2.958 O=CCNC1CCCc2c1ccc(c2)F 34a_100000695172_200009817547 [0,1,0,0,0,1|1,0,1]=4 5662 B16R2.958 O=CCNC1CCOc2c1ccc(c2)F 2230a_100015190460_200015260668 [0,1,0,0,0,1|1,0,1]=4 5663 B16R2.958 O=CCNC1CCOc2c1ccc(c2)F 34a_100015190460_200009817547 [0,1,0,0,0,1|1,0,1]=4 5664 B16R2.958 O=CCN[C@@H]1CCOc2c1ccc(c2)Br 2230a_100020639266_200015260668 [0,1,0,0,0,1|1,0,1]=4 5665 B16R2.958 O=CCN[C@H]1CCCc2c1ccc(c2)Br 2230a_100160469487_200015260668 [0,1,0,0,0,1|1,0,1]=4 5666 B16R2.958 O=CCN[C@H]1CCCc2c1ccc(c2)Br 34a_100160469487_200009817547 [0,1,0,0,0,1|1,0,1]=4 5667 B16R2.958 OCCNC1CCCc2c1ccc(c2)Br 269862a_100000210304_100000688402 [0,1,0,0,0,1|1,0,1]=4 5668 B16R2.958 OCCNC1CCCc2c1ccc(c2)Cl 2230a_100025717365_100000211926 [0,1,0,0,0,1|1,0,1]=4 5669 B16R2.958 OCCNC1CCCc2c1ccc(c2)Cl 269862a_100000210304_100000081257 [0,1,0,0,0,1|1,0,1]=4 5670 B16R2.958 OCCNC1CCCc2c1ccc(c2)Cl 34a_100025717365_100000211926 [0,1,0,0,0,1|1,0,1]=4 5671 B16R2.958 OCCNC1CCCc2c1ccc(c2)F 2230a_100000695172_100000211926 [0,1,0,0,0,1|1,0,1]=4 5672 B16R2.958 OCCNC1CCCc2c1ccc(c2)F 269862a_100000210304_100000090879 [0,1,0,0,0,1|1,0,1]=4 5673 B16R2.958 OCCNC1CCCc2c1ccc(c2)F 34a_100000695172_100000211926 [0,1,0,0,0,1|1,0,1]=4 5674 B16R2.958 OCCNC1CCCc2c1ccc(c2)I 269862a_100000210304_100000050035 [0,1,0,0,0,1|1,0,1]=4 5675 B16R2.958 OCCNC1CCOc2c1ccc(c2)F 2230a_100015190460_100000211926 [0,1,0,0,0,1|1,0,1]=4 5676 B16R2.958 OCCNC1CCOc2c1ccc(c2)F 34a_100015190460_100000211926 [0,1,0,0,0,1|1,0,1]=4 5677 B16R2.958 OCCNC1CCSc2c1ccc(c2)Br 269862a_100000210304_100010688399 [0,1,0,0,0,1|1,0,1]=4 5678 B16R2.958 OCCN[C@@H]1CCOc2c1ccc(c2)Br 2230a_100020639266_100000211926 [0,1,0,0,0,1|1,0,1]=4 5679 B16R2.958 OCCN[C@H]1CCCc2c1ccc(c2)Br 2230a_100160469487_100000211926 [0,1,0,0,0,1|1,0,1]=4 5680 B16R2.958 OCCN[C@H]1CCCc2c1ccc(c2)Br 34a_100160469487_100000211926 [0,1,0,0,0,1|1,0,1]=4 5681 B16R2.963 C#CCNC1CCCc2c1cccc2Br 2230a_100020639248_100000038162 [0,1,0,0,0,1|0,0,0]=2 5682 B16R2.963 C#CCNC1CCCc2c1cccc2Br 34a_100020639248_100000184674 [0,1,0,0,0,1|0,0,0]=2 5683 B16R2.963 C#CCNC1CCCc2c1cccc2F 2230a_100000085590_100000038162 [0,1,0,0,0,1|0,0,0]=2 5684 B16R2.963 C#CCNC1CCCc2c1cccc2F 34a_100000085590_100000184674 [0,1,0,0,0,1|0,0,0]=2 5685 B16R2.963 C#CCNC1CCOc2c1cccc2Br 2230a_100000727345_100000038162 [0,1,0,0,0,1|0,0,0]=2 5686 B16R2.963 C#CCNC1CCOc2c1cccc2Br 34a_100000727345_100000184674 [0,1,0,0,0,1|0,0,0]=2 5687 B16R2.963 C#CCNC1CCOc2c1cccc2F 2230a_100000746867_100000038162 [0,1,0,0,0,1|0,0,0]=2 5688 B16R2.963 C#CCNC1CCOc2c1cccc2F 34a_100000746867_100000184674 [0,1,0,0,0,1|0,0,0]=2 5689 B16R2.963 C#CCN[C@@H]1CCCc2c1cccc2Cl 2230a_100025717364_100000038162 [0,1,0,0,0,1|0,0,0]=2 5690 B16R2.963 C#CCN[C@@H]1CCCc2c1cccc2Cl 34a_100025717364_100000184674 [0,1,0,0,0,1|0,0,0]=2 5691 B16R2.963 C#CCN[C@@H]1CCOc2c1cccc2C 2230a_100000717741_100000038162 [0,1,0,0,0,1|0,0,0]=2 5692 B16R2.963 C#CCN[C@@H]1CCOc2c1cccc2C 34a_100000717741_100000184674 [0,1,0,0,0,1|0,0,0]=2 5693 B16R2.963 C#CCOC1CCCc2c1cccc2Br 34a_100009815610_100000184674 [0,1,0,0,0,1|1,0,0]=3 5694 B16R2.963 C#CCOC1CCCc2c1cccc2Br 7a_100009815610_100000038162 [0,1,0,0,0,1|1,0,0]=3 5695 B16R2.963 C=CCNC1CCCc2c1cccc2Br 2230a_100020639248_100000210623 [0,1,0,0,0,1|0,0,2]=4 5696 B16R2.963 C=CCNC1CCCc2c1cccc2Br 34a_100020639248_100015514636 [0,1,0,0,0,1|0,0,2]=4 5697 B16R2.963 C=CCNC1CCCc2c1cccc2F 2230a_100000085590_100000210623 [0,1,0,0,0,1|0,0,2]=4 5698 B16R2.963 C=CCNC1CCCc2c1cccc2F 34a_100000085590_100015514636 [0,1,0,0,0,1|0,0,2]=4 5699 B16R2.963 C=CCNC1CCOc2c1cccc2Br 2230a_100000727345_100000210623 [0,1,0,0,0,1|0,0,2]=4 5700 B16R2.963 C=CCNC1CCOc2c1cccc2Br 34a_100000727345_100015514636 [0,1,0,0,0,1|0,0,2]=4 5701 B16R2.963 C=CCNC1CCOc2c1cccc2F 2230a_100000746867_100000210623 [0,1,0,0,0,1|0,0,2]=4 5702 B16R2.963 C=CCNC1CCOc2c1cccc2F 34a_100000746867_100015514636 [0,1,0,0,0,1|0,0,2]=4 5703 B16R2.963 C=CCN[C@@H]1CCCc2c1cccc2Cl 2230a_100025717364_100000210623 [0,1,0,0,0,1|0,0,2]=4 5704 B16R2.963 C=CCN[C@@H]1CCCc2c1cccc2Cl 34a_100025717364_100015514636 [0,1,0,0,0,1|0,0,2]=4 5705 B16R2.963 C=CCN[C@@H]1CCOc2c1cccc2C 2230a_100000717741_100000210623 [0,1,0,0,0,1|0,0,2]=4 5706 B16R2.963 C=CCN[C@@H]1CCOc2c1cccc2C 34a_100000717741_100015514636 [0,1,0,0,0,1|0,0,2]=4 5707 B16R2.963 CCCNC1CCCc2c1cccc2Br 2230a_100020639248_100000210303 [0,1,0,0,0,1|0,0,2]=4 5708 B16R2.963 CCCNC1CCCc2c1cccc2Br 269862a_100020643023_100000691372 [0,1,0,0,0,1|0,0,2]=4 5709 B16R2.963 CCCNC1CCCc2c1cccc2Br 34a_100020639248_100000210303 [0,1,0,0,0,1|0,0,2]=4 5710 B16R2.963 CCCNC1CCCc2c1cccc2Cl 269862a_100020643023_100000063505 [0,1,0,0,0,1|0,0,2]=4 5711 B16R2.963 CCCNC1CCCc2c1cccc2F 2230a_100000085590_100000210303 [0,1,0,0,0,1|0,0,2]=4 5712 B16R2.963 CCCNC1CCCc2c1cccc2F 269862a_100020643023_100000087435 [0,1,0,0,0,1|0,0,2]=4 5713 B16R2.963 CCCNC1CCCc2c1cccc2F 34a_100000085590_100000210303 [0,1,0,0,0,1|0,0,2]=4 5714 B16R2.963 CCCNC1CCCc2c1cccc2O 269862a_100020643023_100000763485 [0,1,0,0,0,1|0,0,2]=4 5715 B16R2.963 CCCNC1CCOc2c1cccc2Br 2230a_100000727345_100000210303 [0,1,0,0,0,1|0,0,2]=4 5716 B16R2.963 CCCNC1CCOc2c1cccc2Br 34a_100000727345_100000210303 [0,1,0,0,0,1|0,0,2]=4 5717 B16R2.963 CCCNC1CCOc2c1cccc2F 2230a_100000746867_100000210303 [0,1,0,0,0,1|0,0,2]=4 5718 B16R2.963 CCCNC1CCOc2c1cccc2F 34a_100000746867_100000210303 [0,1,0,0,0,1|0,0,2]=4 5719 B16R2.963 CCCNC1CCSc2c1cccc2Br 269862a_100020643023_100011271337 [0,1,0,0,0,1|0,0,2]=4 5720 B16R2.963 CCCN[C@@H]1CCCc2c1cccc2Cl 2230a_100025717364_100000210303 [0,1,0,0,0,1|0,0,2]=4 5721 B16R2.963 CCCN[C@@H]1CCCc2c1cccc2Cl 34a_100025717364_100000210303 [0,1,0,0,0,1|0,0,2]=4 5722 B16R2.963 CCCN[C@@H]1CCOc2c1cccc2C 2230a_100000717741_100000210303 [0,1,0,0,0,1|0,0,2]=4 5723 B16R2.963 CCCN[C@@H]1CCOc2c1cccc2C 34a_100000717741_100000210303 [0,1,0,0,0,1|0,0,2]=4 5724 B16R2.963 COCNC1CCCc2c1cccc2Br 2230a_100020639248_100000766300 [0,1,0,0,0,1|1,0,1]=4 5725 B16R2.963 COCNC1CCCc2c1cccc2F 2230a_100000085590_100000766300 [0,1,0,0,0,1|1,0,1]=4 5726 B16R2.963 COCNC1CCOc2c1cccc2Br 2230a_100000727345_100000766300 [0,1,0,0,0,1|1,0,1]=4 5727 B16R2.963 COCNC1CCOc2c1cccc2F 2230a_100000746867_100000766300 [0,1,0,0,0,1|1,0,1]=4 5728 B16R2.963 COCN[C@@H]1CCCc2c1cccc2Cl 2230a_100025717364_100000766300 [0,1,0,0,0,1|1,0,1]=4 5729 B16R2.963 COCN[C@@H]1CCOc2c1cccc2C 2230a_100000717741_100000766300 [0,1,0,0,0,1|1,0,1]=4 5730 B16R2.963 CSCNC1CCCc2c1cccc2Br 2230a_100020639248_100011218213 [0,1,0,0,0,1|1,0,1]=4 5731 B16R2.963 CSCNC1CCCc2c1cccc2Br 34a_100020639248_100011218213 [0,1,0,0,0,1|1,0,1]=4 5732 B16R2.963 CSCNC1CCCc2c1cccc2F 2230a_100000085590_100011218213 [0,1,0,0,0,1|1,0,1]=4 5733 B16R2.963 CSCNC1CCCc2c1cccc2F 34a_100000085590_100011218213 [0,1,0,0,0,1|1,0,1]=4 5734 B16R2.963 CSCNC1CCOc2c1cccc2Br 2230a_100000727345_100011218213 [0,1,0,0,0,1|1,0,1]=4 5735 B16R2.963 CSCNC1CCOc2c1cccc2Br 34a_100000727345_100011218213 [0,1,0,0,0,1|1,0,1]=4 5736 B16R2.963 CSCNC1CCOc2c1cccc2F 2230a_100000746867_100011218213 [0,1,0,0,0,1|1,0,1]=4 5737 B16R2.963 CSCNC1CCOc2c1cccc2F 34a_100000746867_100011218213 [0,1,0,0,0,1|1,0,1]=4 5738 B16R2.963 CSCN[C@@H]1CCCc2c1cccc2Cl 2230a_100025717364_100011218213 [0,1,0,0,0,1|1,0,1]=4 5739 B16R2.963 CSCN[C@@H]1CCCc2c1cccc2Cl 34a_100025717364_100011218213 [0,1,0,0,0,1|1,0,1]=4 5740 B16R2.963 CSCN[C@@H]1CCOc2c1cccc2C 2230a_100000717741_100011218213 [0,1,0,0,0,1|1,0,1]=4 5741 B16R2.963 CSCN[C@@H]1CCOc2c1cccc2C 34a_100000717741_100011218213 [0,1,0,0,0,1|1,0,1]=4 5742 B16R2.963 Cc1cccc2c1OCC[C@H]2NCC#N 2230a_100000717741_100011215382 [0,1,0,0,0,1|1,0,0]=3 5743 B16R2.963 Cc1cccc2c1OCC[C@H]2NCC=O 2230a_100000717741_200015260668 [0,1,0,0,0,1|1,0,1]=4 5744 B16R2.963 Cc1cccc2c1OCC[C@H]2NCC=O 34a_100000717741_200009817547 [0,1,0,0,0,1|1,0,1]=4 5745 B16R2.963 Cc1cccc2c1OCC[C@H]2NCCF 2230a_100000717741_100011217306 [0,1,0,0,0,1|1,0,1]=4 5746 B16R2.963 Cc1cccc2c1OCC[C@H]2NCCF 34a_100000717741_100011217306 [0,1,0,0,0,1|1,0,1]=4 5747 B16R2.963 Cc1cccc2c1OCC[C@H]2NCCO 2230a_100000717741_100000211926 [0,1,0,0,0,1|1,0,1]=4 5748 B16R2.963 Cc1cccc2c1OCC[C@H]2NCCO 34a_100000717741_100000211926 [0,1,0,0,0,1|1,0,1]=4 5749 B16R2.963 FCCNC1CCCc2c1cccc2Br 2230a_100020639248_100011217306 [0,1,0,0,0,1|1,0,1]=4 5750 B16R2.963 FCCNC1CCCc2c1cccc2Br 269862a_100000724931_100000691372 [0,1,0,0,0,1|1,0,1]=4 5751 B16R2.963 FCCNC1CCCc2c1cccc2Br 34a_100020639248_100011217306 [0,1,0,0,0,1|1,0,1]=4 5752 B16R2.963 FCCNC1CCCc2c1cccc2Cl 269862a_100000724931_100000063505 [0,1,0,0,0,1|1,0,1]=4 5753 B16R2.963 FCCNC1CCCc2c1cccc2F 2230a_100000085590_100011217306 [0,1,0,0,0,1|1,0,1]=4 5754 B16R2.963 FCCNC1CCCc2c1cccc2F 269862a_100000724931_100000087435 [0,1,0,0,0,1|1,0,1]=4 5755 B16R2.963 FCCNC1CCCc2c1cccc2F 34a_100000085590_100011217306 [0,1,0,0,0,1|1,0,1]=4 5756 B16R2.963 FCCNC1CCOc2c1cccc2Br 2230a_100000727345_100011217306 [0,1,0,0,0,1|1,0,1]=4 5757 B16R2.963 FCCNC1CCOc2c1cccc2Br 34a_100000727345_100011217306 [0,1,0,0,0,1|1,0,1]=4 5758 B16R2.963 FCCNC1CCOc2c1cccc2F 2230a_100000746867_100011217306 [0,1,0,0,0,1|1,0,1]=4 5759 B16R2.963 FCCNC1CCOc2c1cccc2F 34a_100000746867_100011217306 [0,1,0,0,0,1|1,0,1]=4 5760 B16R2.963 FCCNC1CCSc2c1cccc2Br 269862a_100000724931_100011271337 [0,1,0,0,0,1|1,0,1]=4 5761 B16R2.963 FCCN[C@@H]1CCCc2c1cccc2Cl 2230a_100025717364_100011217306 [0,1,0,0,0,1|1,0,1]=4 5762 B16R2.963 FCCN[C@@H]1CCCc2c1cccc2Cl 34a_100025717364_100011217306 [0,1,0,0,0,1|1,0,1]=4 5763 B16R2.963 N#CCNC1CCCc2c1cccc2Br 2230a_100020639248_100011215382 [0,1,0,0,0,1|1,0,0]=3 5764 B16R2.963 N#CCNC1CCCc2c1cccc2F 2230a_100000085590_100011215382 [0,1,0,0,0,1|1,0,0]=3 5765 B16R2.963 N#CCNC1CCOc2c1cccc2Br 2230a_100000727345_100011215382 [0,1,0,0,0,1|1,0,0]=3 5766 B16R2.963 N#CCNC1CCOc2c1cccc2F 2230a_100000746867_100011215382 [0,1,0,0,0,1|1,0,0]=3 5767 B16R2.963 N#CCN[C@@H]1CCCc2c1cccc2Cl 2230a_100025717364_100011215382 [0,1,0,0,0,1|1,0,0]=3 5768 B16R2.963 N#CCOC1CCCc2c1cccc2Br 7a_100009815610_100011215382 [0,1,0,0,0,1|2,0,0]=4 5769 B16R2.963 O=CCNC1CCCc2c1cccc2Br 2230a_100020639248_200015260668 [0,1,0,0,0,1|1,0,1]=4 5770 B16R2.963 O=CCNC1CCCc2c1cccc2Br 34a_100020639248_200009817547 [0,1,0,0,0,1|1,0,1]=4 5771 B16R2.963 O=CCNC1CCCc2c1cccc2F 2230a_100000085590_200015260668 [0,1,0,0,0,1|1,0,1]=4 5772 B16R2.963 O=CCNC1CCCc2c1cccc2F 34a_100000085590_200009817547 [0,1,0,0,0,1|1,0,1]=4 5773 B16R2.963 O=CCNC1CCOc2c1cccc2Br 2230a_100000727345_200015260668 [0,1,0,0,0,1|1,0,1]=4 5774 B16R2.963 O=CCNC1CCOc2c1cccc2Br 34a_100000727345_200009817547 [0,1,0,0,0,1|1,0,1]=4 5775 B16R2.963 O=CCNC1CCOc2c1cccc2F 2230a_100000746867_200015260668 [0,1,0,0,0,1|1,0,1]=4 5776 B16R2.963 O=CCNC1CCOc2c1cccc2F 34a_100000746867_200009817547 [0,1,0,0,0,1|1,0,1]=4 5777 B16R2.963 O=CCN[C@@H]1CCCc2c1cccc2Cl 2230a_100025717364_200015260668 [0,1,0,0,0,1|1,0,1]=4 5778 B16R2.963 O=CCN[C@@H]1CCCc2c1cccc2Cl 34a_100025717364_200009817547 [0,1,0,0,0,1|1,0,1]=4 5779 B16R2.963 OCCNC1CCCc2c1cccc2Br 2230a_100020639248_100000211926 [0,1,0,0,0,1|1,0,1]=4 5780 B16R2.963 OCCNC1CCCc2c1cccc2Br 269862a_100000210304_100000691372 [0,1,0,0,0,1|1,0,1]=4 5781 B16R2.963 OCCNC1CCCc2c1cccc2Br 34a_100020639248_100000211926 [0,1,0,0,0,1|1,0,1]=4 5782 B16R2.963 OCCNC1CCCc2c1cccc2Cl 269862a_100000210304_100000063505 [0,1,0,0,0,1|1,0,1]=4 5783 B16R2.963 OCCNC1CCCc2c1cccc2F 2230a_100000085590_100000211926 [0,1,0,0,0,1|1,0,1]=4 5784 B16R2.963 OCCNC1CCCc2c1cccc2F 269862a_100000210304_100000087435 [0,1,0,0,0,1|1,0,1]=4 5785 B16R2.963 OCCNC1CCCc2c1cccc2F 34a_100000085590_100000211926 [0,1,0,0,0,1|1,0,1]=4 5786 B16R2.963 OCCNC1CCCc2c1cccc2O 269862a_100000210304_100000763485 [0,1,0,0,0,1|1,0,1]=4 5787 B16R2.963 OCCNC1CCOc2c1cccc2Br 2230a_100000727345_100000211926 [0,1,0,0,0,1|1,0,1]=4 5788 B16R2.963 OCCNC1CCOc2c1cccc2Br 34a_100000727345_100000211926 [0,1,0,0,0,1|1,0,1]=4 5789 B16R2.963 OCCNC1CCOc2c1cccc2F 2230a_100000746867_100000211926 [0,1,0,0,0,1|1,0,1]=4 5790 B16R2.963 OCCNC1CCOc2c1cccc2F 34a_100000746867_100000211926 [0,1,0,0,0,1|1,0,1]=4 5791 B16R2.963 OCCNC1CCSc2c1cccc2Br 269862a_100000210304_100011271337 [0,1,0,0,0,1|1,0,1]=4 5792 B16R2.963 OCCN[C@@H]1CCCc2c1cccc2Cl 2230a_100025717364_100000211926 [0,1,0,0,0,1|1,0,1]=4 5793 B16R2.963 OCCN[C@@H]1CCCc2c1cccc2Cl 34a_100025717364_100000211926 [0,1,0,0,0,1|1,0,1]=4 5794 B16R2.963 Oc1cccc2c1CCCC2NCCF 269862a_100000724931_100000763485 [0,1,0,0,0,1|1,0,1]=4 5795 B16R2.12192 C#CCOC1CCC(=O)c2c1cccc2 7a_100000100557_100000038162 [0,1,0,0,0,1|1,0,0]=3 5796 B16R2.12192 CC1CCC(c2c1cccc2)NCCF 269862a_100000724931_100000689179 [0,1,0,0,0,1|1,0,1]=4 5797 B16R2.12192 CC1CCC(c2c1cccc2)NCCO 269862a_100000210304_100000689179 [0,1,0,0,0,1|1,0,1]=4 5798 B16R2.12192 CCCNC1CCC(c2c1cccc2)C 269862a_100020643023_100000689179 [0,1,0,0,0,1|0,0,2]=4 5799 B16R2.12192 N#CCOC1CCC(=O)c2c1cccc2 7a_100000100557_100011215382 [0,1,0,0,0,1|2,0,0]=4 5800 B16R2.30013 CC1CCc2ccccc2C1NCCF 269862a_100000724931_100000696181 [0,1,0,0,0,1|1,0,1]=4 5801 B16R2.30013 CC1CCc2ccccc2C1NCCO 269862a_100000210304_100000696181 [0,1,0,0,0,1|1,0,1]=4 5802 B16R2.30013 CCCNC1c2ccccc2CCC1C 269862a_100020643023_100000696181 [0,1,0,0,0,1|0,0,2]=4 5803 B16R2.32089 C#CCNC1CCOc2c1c(ccc2)F 2230a_100009881269_100000038162 [0,1,0,0,0,1|0,0,0]=2 5804 B16R2.32089 C#CCNC1CCOc2c1c(ccc2)F 34a_100009881269_100000184674 [0,1,0,0,0,1|0,0,0]=2 5805 B16R2.32089 C=CCNC1CCOc2c1c(ccc2)F 2230a_100009881269_100000210623 [0,1,0,0,0,1|0,0,2]=4 5806 B16R2.32089 C=CCNC1CCOc2c1c(ccc2)F 34a_100009881269_100015514636 [0,1,0,0,0,1|0,0,2]=4 5807 B16R2.32089 CCCNC1CCOc2c1c(ccc2)F 2230a_100009881269_100000210303 [0,1,0,0,0,1|0,0,2]=4 5808 B16R2.32089 CCCNC1CCOc2c1c(ccc2)F 34a_100009881269_100000210303 [0,1,0,0,0,1|0,0,2]=4 5809 B16R2.32089 COCNC1CCOc2c1c(ccc2)F 2230a_100009881269_100000766300 [0,1,0,0,0,1|1,0,1]=4 5810 B16R2.32089 CSCNC1CCOc2c1c(ccc2)F 2230a_100009881269_100011218213 [0,1,0,0,0,1|1,0,1]=4 5811 B16R2.32089 CSCNC1CCOc2c1c(ccc2)F 34a_100009881269_100011218213 [0,1,0,0,0,1|1,0,1]=4 5812 B16R2.32089 FCCNC1CCOc2c1c(ccc2)F 2230a_100009881269_100011217306 [0,1,0,0,0,1|1,0,1]=4 5813 B16R2.32089 FCCNC1CCOc2c1c(ccc2)F 34a_100009881269_100011217306 [0,1,0,0,0,1|1,0,1]=4 5814 B16R2.32089 N#CCNC1CCOc2c1c(ccc2)F 2230a_100009881269_100011215382 [0,1,0,0,0,1|1,0,0]=3 5815 B16R2.32089 O=CCNC1CCOc2c1c(ccc2)F 2230a_100009881269_200015260668 [0,1,0,0,0,1|1,0,1]=4 5816 B16R2.32089 O=CCNC1CCOc2c1c(ccc2)F 34a_100009881269_200009817547 [0,1,0,0,0,1|1,0,1]=4 5817 B16R2.32089 OCCNC1CCOc2c1c(ccc2)F 2230a_100009881269_100000211926 [0,1,0,0,0,1|1,0,1]=4 5818 B16R2.32089 OCCNC1CCOc2c1c(ccc2)F 34a_100009881269_100000211926 [0,1,0,0,0,1|1,0,1]=4 5819 B16R2.32142 C#CCNC1CCCc2c1cc(cc2)Br 2230a_100011742594_100000038162 [0,1,0,0,0,1|0,0,0]=2 5820 B16R2.32142 C#CCNC1CCCc2c1cc(cc2)Br 34a_100011742594_100000184674 [0,1,0,0,0,1|0,0,0]=2 5821 B16R2.32142 C#CCNC1CCCc2c1cc(cc2)C 2230a_100015204190_100000038162 [0,1,0,0,0,1|0,0,0]=2 5822 B16R2.32142 C#CCNC1CCCc2c1cc(cc2)C 34a_100015204190_100000184674 [0,1,0,0,0,1|0,0,0]=2 5823 B16R2.32142 C#CCNC1CCOc2c1cc(cc2)Cl 2230a_100011264799_100000038162 [0,1,0,0,0,1|0,0,0]=2 5824 B16R2.32142 C#CCNC1CCOc2c1cc(cc2)Cl 34a_100011264799_100000184674 [0,1,0,0,0,1|0,0,0]=2 5825 B16R2.32142 C#CCNC1CCOc2c1cc(cc2)F 2230a_100000754146_100000038162 [0,1,0,0,0,1|0,0,0]=2 5826 B16R2.32142 C#CCNC1CCOc2c1cc(cc2)F 34a_100000754146_100000184674 [0,1,0,0,0,1|0,0,0]=2 5827 B16R2.32142 C#CCNC1CCSc2c1cc(cc2)Br 2230a_100000744474_100000038162 [0,1,0,0,0,1|0,0,0]=2 5828 B16R2.32142 C#CCN[C@@H]1CCCc2c1cc(cc2)F 2230a_200000724602_100000038162 [0,1,0,0,0,1|0,0,0]=2 5829 B16R2.32142 C#CCN[C@@H]1CCCc2c1cc(cc2)F 34a_200000724602_100000184674 [0,1,0,0,0,1|0,0,0]=2 5830 B16R2.32142 C#CCN[C@H]1CCCc2c1cc(cc2)Cl 2230a_100011998213_100000038162 [0,1,0,0,0,1|0,0,0]=2 5831 B16R2.32142 C#CCN[C@H]1CCCc2c1cc(cc2)Cl 34a_100011998213_100000184674 [0,1,0,0,0,1|0,0,0]=2 5832 B16R2.32142 C#CCN[C@H]1CCOc2c1cc(cc2)Br 2230a_100020639276_100000038162 [0,1,0,0,0,1|0,0,0]=2 5833 B16R2.32142 C#CCOC1CCCc2c1cc(cc2)Br 34a_100011660633_100000184674 [0,1,0,0,0,1|1,0,0]=3 5834 B16R2.32142 C#CCOC1CCCc2c1cc(cc2)Br 7a_100011660633_100000038162 [0,1,0,0,0,1|1,0,0]=3 5835 B16R2.32142 C#CCOC1CCCc2c1cc(cc2)N 34a_100009883350_100000184674 [0,1,0,0,0,1|1,0,0]=3 5836 B16R2.32142 C#CCOC1CCOc2c1cc(cc2)Br 7a_100000760992_100000038162 [0,1,0,0,0,1|1,0,0]=3 5837 B16R2.32142 C=CCNC1CCCc2c1cc(cc2)Br 2230a_100011742594_100000210623 [0,1,0,0,0,1|0,0,2]=4 5838 B16R2.32142 C=CCNC1CCCc2c1cc(cc2)Br 34a_100011742594_100015514636 [0,1,0,0,0,1|0,0,2]=4 5839 B16R2.32142 C=CCNC1CCCc2c1cc(cc2)C 2230a_100015204190_100000210623 [0,1,0,0,0,1|0,0,2]=4 5840 B16R2.32142 C=CCNC1CCCc2c1cc(cc2)C 34a_100015204190_100015514636 [0,1,0,0,0,1|0,0,2]=4 5841 B16R2.32142 C=CCNC1CCOc2c1cc(cc2)Cl 2230a_100011264799_100000210623 [0,1,0,0,0,1|0,0,2]=4 5842 B16R2.32142 C=CCNC1CCOc2c1cc(cc2)Cl 34a_100011264799_100015514636 [0,1,0,0,0,1|0,0,2]=4 5843 B16R2.32142 C=CCNC1CCOc2c1cc(cc2)F 2230a_100000754146_100000210623 [0,1,0,0,0,1|0,0,2]=4 5844 B16R2.32142 C=CCNC1CCOc2c1cc(cc2)F 34a_100000754146_100015514636 [0,1,0,0,0,1|0,0,2]=4 5845 B16R2.32142 C=CCNC1CCSc2c1cc(cc2)Br 2230a_100000744474_100000210623 [0,1,0,0,0,1|0,0,2]=4 5846 B16R2.32142 C=CCN[C@@H]1CCCc2c1cc(cc2)F 2230a_200000724602_100000210623 [0,1,0,0,0,1|0,0,2]=4 5847 B16R2.32142 C=CCN[C@@H]1CCCc2c1cc(cc2)F 34a_200000724602_100015514636 [0,1,0,0,0,1|0,0,2]=4 5848 B16R2.32142 C=CCN[C@H]1CCCc2c1cc(cc2)Cl 2230a_100011998213_100000210623 [0,1,0,0,0,1|0,0,2]=4 5849 B16R2.32142 C=CCN[C@H]1CCCc2c1cc(cc2)Cl 34a_100011998213_100015514636 [0,1,0,0,0,1|0,0,2]=4 5850 B16R2.32142 C=CCN[C@H]1CCOc2c1cc(cc2)Br 2230a_100020639276_100000210623 [0,1,0,0,0,1|0,0,2]=4 5851 B16R2.32142 CCCNC1CCCc2c1cc(cc2)Br 2230a_100011742594_100000210303 [0,1,0,0,0,1|0,0,2]=4 5852 B16R2.32142 CCCNC1CCCc2c1cc(cc2)Br 269862a_100020643023_100000760428 [0,1,0,0,0,1|0,0,2]=4 5853 B16R2.32142 CCCNC1CCCc2c1cc(cc2)Br 34a_100011742594_100000210303 [0,1,0,0,0,1|0,0,2]=4 5854 B16R2.32142 CCCNC1CCCc2c1cc(cc2)C 2230a_100015204190_100000210303 [0,1,0,0,0,1|0,0,2]=4 5855 B16R2.32142 CCCNC1CCCc2c1cc(cc2)C 269862a_100020643023_100000685544 [0,1,0,0,0,1|0,0,2]=4 5856 B16R2.32142 CCCNC1CCCc2c1cc(cc2)C 34a_100015204190_100000210303 [0,1,0,0,0,1|0,0,2]=4 5857 B16R2.32142 CCCNC1CCCc2c1cc(cc2)Cl 269862a_100020643023_100000691401 [0,1,0,0,0,1|0,0,2]=4 5858 B16R2.32142 CCCNC1CCCc2c1cc(cc2)F 269862a_100020643023_100000691130 [0,1,0,0,0,1|0,0,2]=4 5859 B16R2.32142 CCCNC1CCCc2c1cc(cc2)I 269862a_100020643023_100000050175 [0,1,0,0,0,1|0,0,2]=4 5860 B16R2.32142 CCCNC1CCOc2c1cc(cc2)Cl 2230a_100011264799_100000210303 [0,1,0,0,0,1|0,0,2]=4 5861 B16R2.32142 CCCNC1CCOc2c1cc(cc2)Cl 34a_100011264799_100000210303 [0,1,0,0,0,1|0,0,2]=4 5862 B16R2.32142 CCCNC1CCOc2c1cc(cc2)F 2230a_100000754146_100000210303 [0,1,0,0,0,1|0,0,2]=4 5863 B16R2.32142 CCCNC1CCOc2c1cc(cc2)F 34a_100000754146_100000210303 [0,1,0,0,0,1|0,0,2]=4 5864 B16R2.32142 CCCNC1CCSc2c1cc(cc2)Br 2230a_100000744474_100000210303 [0,1,0,0,0,1|0,0,2]=4 5865 B16R2.32142 CCCNC1CCSc2c1cc(cc2)Br 269862a_100020643023_100000744447 [0,1,0,0,0,1|0,0,2]=4 5866 B16R2.32142 CCCNC1CCSc2c1cc(cc2)C 269862a_100020643023_100011247500 [0,1,0,0,0,1|0,0,2]=4 5867 B16R2.32142 CCCNC1CCSc2c1cc(cc2)Cl 269862a_100020643023_100000230377 [0,1,0,0,0,1|0,0,2]=4 5868 B16R2.32142 CCCNC1CCSc2c1cc(cc2)F 269862a_100020643023_100000199066 [0,1,0,0,0,1|0,0,2]=4 5869 B16R2.32142 CCCNC1COCc2c1cc(cc2)Br 269862a_100020643023_100010205901 [0,1,0,0,0,1|0,0,2]=4 5870 B16R2.32142 CCCN[C@@H]1CCCc2c1cc(cc2)F 2230a_200000724602_100000210303 [0,1,0,0,0,1|0,0,2]=4 5871 B16R2.32142 CCCN[C@@H]1CCCc2c1cc(cc2)F 34a_200000724602_100000210303 [0,1,0,0,0,1|0,0,2]=4 5872 B16R2.32142 CCCN[C@H]1CCCc2c1cc(cc2)Cl 2230a_100011998213_100000210303 [0,1,0,0,0,1|0,0,2]=4 5873 B16R2.32142 CCCN[C@H]1CCCc2c1cc(cc2)Cl 34a_100011998213_100000210303 [0,1,0,0,0,1|0,0,2]=4 5874 B16R2.32142 CCCN[C@H]1CCOc2c1cc(cc2)Br 2230a_100020639276_100000210303 [0,1,0,0,0,1|0,0,2]=4 5875 B16R2.32142 COCNC1CCCc2c1cc(cc2)Br 2230a_100011742594_100000766300 [0,1,0,0,0,1|1,0,1]=4 5876 B16R2.32142 COCNC1CCCc2c1cc(cc2)C 2230a_100015204190_100000766300 [0,1,0,0,0,1|1,0,1]=4 5877 B16R2.32142 COCNC1CCOc2c1cc(cc2)Cl 2230a_100011264799_100000766300 [0,1,0,0,0,1|1,0,1]=4 5878 B16R2.32142 COCNC1CCOc2c1cc(cc2)F 2230a_100000754146_100000766300 [0,1,0,0,0,1|1,0,1]=4 5879 B16R2.32142 COCNC1CCSc2c1cc(cc2)Br 2230a_100000744474_100000766300 [0,1,0,0,0,1|1,0,1]=4 5880 B16R2.32142 COCN[C@@H]1CCCc2c1cc(cc2)F 2230a_200000724602_100000766300 [0,1,0,0,0,1|1,0,1]=4 5881 B16R2.32142 COCN[C@H]1CCCc2c1cc(cc2)Cl 2230a_100011998213_100000766300 [0,1,0,0,0,1|1,0,1]=4 5882 B16R2.32142 COCN[C@H]1CCOc2c1cc(cc2)Br 2230a_100020639276_100000766300 [0,1,0,0,0,1|1,0,1]=4 5883 B16R2.32142 CSCNC1CCCc2c1cc(cc2)Br 2230a_100011742594_100011218213 [0,1,0,0,0,1|1,0,1]=4 5884 B16R2.32142 CSCNC1CCCc2c1cc(cc2)Br 34a_100011742594_100011218213 [0,1,0,0,0,1|1,0,1]=4 5885 B16R2.32142 CSCNC1CCCc2c1cc(cc2)C 2230a_100015204190_100011218213 [0,1,0,0,0,1|1,0,1]=4 5886 B16R2.32142 CSCNC1CCCc2c1cc(cc2)C 34a_100015204190_100011218213 [0,1,0,0,0,1|1,0,1]=4 5887 B16R2.32142 CSCNC1CCOc2c1cc(cc2)Cl 2230a_100011264799_100011218213 [0,1,0,0,0,1|1,0,1]=4 5888 B16R2.32142 CSCNC1CCOc2c1cc(cc2)Cl 34a_100011264799_100011218213 [0,1,0,0,0,1|1,0,1]=4 5889 B16R2.32142 CSCNC1CCOc2c1cc(cc2)F 2230a_100000754146_100011218213 [0,1,0,0,0,1|1,0,1]=4 5890 B16R2.32142 CSCNC1CCOc2c1cc(cc2)F 34a_100000754146_100011218213 [0,1,0,0,0,1|1,0,1]=4 5891 B16R2.32142 CSCNC1CCSc2c1cc(cc2)Br 2230a_100000744474_100011218213 [0,1,0,0,0,1|1,0,1]=4 5892 B16R2.32142 CSCN[C@@H]1CCCc2c1cc(cc2)F 2230a_200000724602_100011218213 [0,1,0,0,0,1|1,0,1]=4 5893 B16R2.32142 CSCN[C@@H]1CCCc2c1cc(cc2)F 34a_200000724602_100011218213 [0,1,0,0,0,1|1,0,1]=4 5894 B16R2.32142 CSCN[C@H]1CCCc2c1cc(cc2)Cl 2230a_100011998213_100011218213 [0,1,0,0,0,1|1,0,1]=4 5895 B16R2.32142 CSCN[C@H]1CCCc2c1cc(cc2)Cl 34a_100011998213_100011218213 [0,1,0,0,0,1|1,0,1]=4 5896 B16R2.32142 CSCN[C@H]1CCOc2c1cc(cc2)Br 2230a_100020639276_100011218213 [0,1,0,0,0,1|1,0,1]=4 5897 B16R2.32142 Cc1ccc2c(c1)C(CCC2)NCC#N 2230a_100015204190_100011215382 [0,1,0,0,0,1|1,0,0]=3 5898 B16R2.32142 Cc1ccc2c(c1)C(CCC2)NCC=O 2230a_100015204190_200015260668 [0,1,0,0,0,1|1,0,1]=4 5899 B16R2.32142 Cc1ccc2c(c1)C(CCC2)NCC=O 34a_100015204190_200009817547 [0,1,0,0,0,1|1,0,1]=4 5900 B16R2.32142 Cc1ccc2c(c1)C(CCC2)NCCF 2230a_100015204190_100011217306 [0,1,0,0,0,1|1,0,1]=4 5901 B16R2.32142 Cc1ccc2c(c1)C(CCC2)NCCF 269862a_100000724931_100000685544 [0,1,0,0,0,1|1,0,1]=4 5902 B16R2.32142 Cc1ccc2c(c1)C(CCC2)NCCF 34a_100015204190_100011217306 [0,1,0,0,0,1|1,0,1]=4 5903 B16R2.32142 Cc1ccc2c(c1)C(CCC2)NCCO 2230a_100015204190_100000211926 [0,1,0,0,0,1|1,0,1]=4 5904 B16R2.32142 Cc1ccc2c(c1)C(CCC2)NCCO 269862a_100000210304_100000685544 [0,1,0,0,0,1|1,0,1]=4 5905 B16R2.32142 Cc1ccc2c(c1)C(CCC2)NCCO 34a_100015204190_100000211926 [0,1,0,0,0,1|1,0,1]=4 5906 B16R2.32142 Cc1ccc2c(c1)C(CCS2)NCCF 269862a_100000724931_100011247500 [0,1,0,0,0,1|1,0,1]=4 5907 B16R2.32142 Cc1ccc2c(c1)C(CCS2)NCCO 269862a_100000210304_100011247500 [0,1,0,0,0,1|1,0,1]=4 5908 B16R2.32142 FCCNC1CCCc2c1cc(cc2)Br 2230a_100011742594_100011217306 [0,1,0,0,0,1|1,0,1]=4 5909 B16R2.32142 FCCNC1CCCc2c1cc(cc2)Br 269862a_100000724931_100000760428 [0,1,0,0,0,1|1,0,1]=4 5910 B16R2.32142 FCCNC1CCCc2c1cc(cc2)Br 34a_100011742594_100011217306 [0,1,0,0,0,1|1,0,1]=4 5911 B16R2.32142 FCCNC1CCCc2c1cc(cc2)Cl 269862a_100000724931_100000691401 [0,1,0,0,0,1|1,0,1]=4 5912 B16R2.32142 FCCNC1CCCc2c1cc(cc2)F 269862a_100000724931_100000691130 [0,1,0,0,0,1|1,0,1]=4 5913 B16R2.32142 FCCNC1CCCc2c1cc(cc2)I 269862a_100000724931_100000050175 [0,1,0,0,0,1|1,0,1]=4 5914 B16R2.32142 FCCNC1CCOc2c1cc(cc2)Cl 2230a_100011264799_100011217306 [0,1,0,0,0,1|1,0,1]=4 5915 B16R2.32142 FCCNC1CCOc2c1cc(cc2)Cl 34a_100011264799_100011217306 [0,1,0,0,0,1|1,0,1]=4 5916 B16R2.32142 FCCNC1CCOc2c1cc(cc2)F 2230a_100000754146_100011217306 [0,1,0,0,0,1|1,0,1]=4 5917 B16R2.32142 FCCNC1CCOc2c1cc(cc2)F 34a_100000754146_100011217306 [0,1,0,0,0,1|1,0,1]=4 5918 B16R2.32142 FCCNC1CCSc2c1cc(cc2)Br 2230a_100000744474_100011217306 [0,1,0,0,0,1|1,0,1]=4 5919 B16R2.32142 FCCNC1CCSc2c1cc(cc2)Br 269862a_100000724931_100000744447 [0,1,0,0,0,1|1,0,1]=4 5920 B16R2.32142 FCCNC1CCSc2c1cc(cc2)Cl 269862a_100000724931_100000230377 [0,1,0,0,0,1|1,0,1]=4 5921 B16R2.32142 FCCNC1CCSc2c1cc(cc2)F 269862a_100000724931_100000199066 [0,1,0,0,0,1|1,0,1]=4 5922 B16R2.32142 FCCNC1COCc2c1cc(cc2)Br 269862a_100000724931_100010205901 [0,1,0,0,0,1|1,0,1]=4 5923 B16R2.32142 FCCN[C@@H]1CCCc2c1cc(cc2)F 2230a_200000724602_100011217306 [0,1,0,0,0,1|1,0,1]=4 5924 B16R2.32142 FCCN[C@@H]1CCCc2c1cc(cc2)F 34a_200000724602_100011217306 [0,1,0,0,0,1|1,0,1]=4 5925 B16R2.32142 FCCN[C@H]1CCCc2c1cc(cc2)Cl 2230a_100011998213_100011217306 [0,1,0,0,0,1|1,0,1]=4 5926 B16R2.32142 FCCN[C@H]1CCCc2c1cc(cc2)Cl 34a_100011998213_100011217306 [0,1,0,0,0,1|1,0,1]=4 5927 B16R2.32142 FCCN[C@H]1CCOc2c1cc(cc2)Br 2230a_100020639276_100011217306 [0,1,0,0,0,1|1,0,1]=4 5928 B16R2.32142 N#CCNC1CCCc2c1cc(cc2)Br 2230a_100011742594_100011215382 [0,1,0,0,0,1|1,0,0]=3 5929 B16R2.32142 N#CCNC1CCOc2c1cc(cc2)Cl 2230a_100011264799_100011215382 [0,1,0,0,0,1|1,0,0]=3 5930 B16R2.32142 N#CCNC1CCOc2c1cc(cc2)F 2230a_100000754146_100011215382 [0,1,0,0,0,1|1,0,0]=3 5931 B16R2.32142 N#CCNC1CCSc2c1cc(cc2)Br 2230a_100000744474_100011215382 [0,1,0,0,0,1|1,0,0]=3 5932 B16R2.32142 N#CCN[C@@H]1CCCc2c1cc(cc2)F 2230a_200000724602_100011215382 [0,1,0,0,0,1|1,0,0]=3 5933 B16R2.32142 N#CCN[C@H]1CCCc2c1cc(cc2)Cl 2230a_100011998213_100011215382 [0,1,0,0,0,1|1,0,0]=3 5934 B16R2.32142 N#CCN[C@H]1CCOc2c1cc(cc2)Br 2230a_100020639276_100011215382 [0,1,0,0,0,1|1,0,0]=3 5935 B16R2.32142 N#CCOC1CCCc2c1cc(cc2)Br 7a_100011660633_100011215382 [0,1,0,0,0,1|2,0,0]=4 5936 B16R2.32142 N#CCOC1CCOc2c1cc(cc2)Br 7a_100000760992_100011215382 [0,1,0,0,0,1|2,0,0]=4 5937 B16R2.32142 O=CCNC1CCCc2c1cc(cc2)Br 2230a_100011742594_200015260668 [0,1,0,0,0,1|1,0,1]=4 5938 B16R2.32142 O=CCNC1CCCc2c1cc(cc2)Br 34a_100011742594_200009817547 [0,1,0,0,0,1|1,0,1]=4 5939 B16R2.32142 O=CCNC1CCOc2c1cc(cc2)Cl 2230a_100011264799_200015260668 [0,1,0,0,0,1|1,0,1]=4 5940 B16R2.32142 O=CCNC1CCOc2c1cc(cc2)Cl 34a_100011264799_200009817547 [0,1,0,0,0,1|1,0,1]=4 5941 B16R2.32142 O=CCNC1CCOc2c1cc(cc2)F 2230a_100000754146_200015260668 [0,1,0,0,0,1|1,0,1]=4 5942 B16R2.32142 O=CCNC1CCOc2c1cc(cc2)F 34a_100000754146_200009817547 [0,1,0,0,0,1|1,0,1]=4 5943 B16R2.32142 O=CCNC1CCSc2c1cc(cc2)Br 2230a_100000744474_200015260668 [0,1,0,0,0,1|1,0,1]=4 5944 B16R2.32142 O=CCN[C@@H]1CCCc2c1cc(cc2)F 2230a_200000724602_200015260668 [0,1,0,0,0,1|1,0,1]=4 5945 B16R2.32142 O=CCN[C@@H]1CCCc2c1cc(cc2)F 34a_200000724602_200009817547 [0,1,0,0,0,1|1,0,1]=4 5946 B16R2.32142 O=CCN[C@H]1CCCc2c1cc(cc2)Cl 2230a_100011998213_200015260668 [0,1,0,0,0,1|1,0,1]=4 5947 B16R2.32142 O=CCN[C@H]1CCCc2c1cc(cc2)Cl 34a_100011998213_200009817547 [0,1,0,0,0,1|1,0,1]=4 5948 B16R2.32142 O=CCN[C@H]1CCOc2c1cc(cc2)Br 2230a_100020639276_200015260668 [0,1,0,0,0,1|1,0,1]=4 5949 B16R2.32142 OCCNC1CCCc2c1cc(cc2)Br 2230a_100011742594_100000211926 [0,1,0,0,0,1|1,0,1]=4 5950 B16R2.32142 OCCNC1CCCc2c1cc(cc2)Br 269862a_100000210304_100000760428 [0,1,0,0,0,1|1,0,1]=4 5951 B16R2.32142 OCCNC1CCCc2c1cc(cc2)Br 34a_100011742594_100000211926 [0,1,0,0,0,1|1,0,1]=4 5952 B16R2.32142 OCCNC1CCCc2c1cc(cc2)Cl 269862a_100000210304_100000691401 [0,1,0,0,0,1|1,0,1]=4 5953 B16R2.32142 OCCNC1CCCc2c1cc(cc2)F 269862a_100000210304_100000691130 [0,1,0,0,0,1|1,0,1]=4 5954 B16R2.32142 OCCNC1CCCc2c1cc(cc2)I 269862a_100000210304_100000050175 [0,1,0,0,0,1|1,0,1]=4 5955 B16R2.32142 OCCNC1CCOc2c1cc(cc2)Cl 2230a_100011264799_100000211926 [0,1,0,0,0,1|1,0,1]=4 5956 B16R2.32142 OCCNC1CCOc2c1cc(cc2)Cl 34a_100011264799_100000211926 [0,1,0,0,0,1|1,0,1]=4 5957 B16R2.32142 OCCNC1CCOc2c1cc(cc2)F 2230a_100000754146_100000211926 [0,1,0,0,0,1|1,0,1]=4 5958 B16R2.32142 OCCNC1CCOc2c1cc(cc2)F 34a_100000754146_100000211926 [0,1,0,0,0,1|1,0,1]=4 5959 B16R2.32142 OCCNC1CCSc2c1cc(cc2)Br 2230a_100000744474_100000211926 [0,1,0,0,0,1|1,0,1]=4 5960 B16R2.32142 OCCNC1CCSc2c1cc(cc2)Br 269862a_100000210304_100000744447 [0,1,0,0,0,1|1,0,1]=4 5961 B16R2.32142 OCCNC1CCSc2c1cc(cc2)Cl 269862a_100000210304_100000230377 [0,1,0,0,0,1|1,0,1]=4 5962 B16R2.32142 OCCNC1CCSc2c1cc(cc2)F 269862a_100000210304_100000199066 [0,1,0,0,0,1|1,0,1]=4 5963 B16R2.32142 OCCNC1COCc2c1cc(cc2)Br 269862a_100000210304_100010205901 [0,1,0,0,0,1|1,0,1]=4 5964 B16R2.32142 OCCN[C@@H]1CCCc2c1cc(cc2)F 2230a_200000724602_100000211926 [0,1,0,0,0,1|1,0,1]=4 5965 B16R2.32142 OCCN[C@@H]1CCCc2c1cc(cc2)F 34a_200000724602_100000211926 [0,1,0,0,0,1|1,0,1]=4 5966 B16R2.32142 OCCN[C@H]1CCCc2c1cc(cc2)Cl 2230a_100011998213_100000211926 [0,1,0,0,0,1|1,0,1]=4 5967 B16R2.32142 OCCN[C@H]1CCCc2c1cc(cc2)Cl 34a_100011998213_100000211926 [0,1,0,0,0,1|1,0,1]=4 5968 B16R2.32142 OCCN[C@H]1CCOc2c1cc(cc2)Br 2230a_100020639276_100000211926 [0,1,0,0,0,1|1,0,1]=4 5969 B16R2.34773 C#CCOC1(CCCc2c1cccc2)C 34a_200011345745_100000184674 [0,1,0,0,0,1|1,0,0]=3 5970 B16R2.34773 C#CCOC1(CCCc2c1cccc2)C 7a_200011345745_100000038162 [0,1,0,0,0,1|1,0,0]=3 5971 B16R2.34773 CC1(CCCc2c1cccc2)OCC#N 7a_200011345745_100011215382 [0,1,0,0,0,1|2,0,0]=4 5972 B16R2.50359 C#CCCNC1CCCc2c1ccnc2 2230a_100020634316_100000688953 [0,1,0,0,0,1|1,0,0]=3 5973 B16R2.50359 C#CCCNC1CCCc2c1nccc2 2230a_100011259139_100000688953 [0,1,0,0,0,1|1,0,0]=3 5974 B16R2.50359 C#CCCNC1CCOc2c1cccc2 2230a_100015190321_100000688953 [0,1,0,0,0,1|0,0,0]=2 5975 B16R2.50359 C#CCCNC1CCOc2c1nccc2 2230a_100009852857_100000688953 [0,1,0,0,0,1|1,0,0]=3 5976 B16R2.50359 C#CCCN[C@H]1CCCc2c1cccc2 34a_100020654734_100000688953 [0,1,0,0,0,1|0,0,0]=2 5977 B16R2.50359 C#CCCOC1CCCc2c1cccc2 34a_100000183665_100000688953 [0,1,0,0,0,1|1,0,0]=3 5978 B16R2.50359 C#CCCOC1CCCc2c1cccc2 7a_100000183665_100000688953 [0,1,0,0,0,1|1,0,0]=3 5979 B16R2.50359 C#CCCOC1CCOc2c1cccc2 7a_100000708930_100000688953 [0,1,0,0,0,1|1,0,0]=3 5980 B16R2.50359 C#CCCOC1COCc2c1cccc2 34a_100012179175_100000688953 [0,1,0,0,0,1|1,0,0]=3 5981 B16R2.50359 C#CCNCC1OCCc2c1cccc2 2230a_100000755408_100000038162 [0,1,0,0,0,1|0,0,0]=2 5982 B16R2.50359 C#CCNCC1OCCc2c1cccc2 34a_100000755408_100000184674 [0,1,0,0,0,1|0,0,0]=2 5983 B16R2.50359 C/C=C/CN[C@H]1CCCc2c1cccc2 34a_100020654734_100102629194 [0,1,0,0,0,1|0,0,2]=4 5984 B16R2.50359 C=CCCNC1CCCc2c1cccc2 269862a_100015191253_100000210882 [0,1,0,0,0,1|0,0,2]=4 5985 B16R2.50359 C=CCCNC1CCOc2c1cccc2 2230a_100015190321_100000754431 [0,1,0,0,0,1|0,0,2]=4 5986 B16R2.50359 C=CCCNC1CCSc2c1cccc2 269862a_100015191253_100000183853 [0,1,0,0,0,1|0,0,2]=4 5987 B16R2.50359 C=CCCNC1COCc2c1cccc2 269862a_100015191253_100000117393 [0,1,0,0,0,1|0,0,2]=4 5988 B16R2.50359 C=CCCN[C@H]1CCCc2c1cccc2 34a_100020654734_100000754431 [0,1,0,0,0,1|0,0,2]=4 5989 B16R2.50359 C=CCNCC1OCCc2c1cccc2 2230a_100000755408_100000210623 [0,1,0,0,0,1|0,0,2]=4 5990 B16R2.50359 C=CCNCC1OCCc2c1cccc2 34a_100000755408_100015514636 [0,1,0,0,0,1|0,0,2]=4 5991 B16R2.50359 CC#CCNC1CCCc2c1ccnc2 2230a_100020634316_100000748600 [0,1,0,0,0,1|1,0,0]=3 5992 B16R2.50359 CC#CCNC1CCCc2c1nccc2 2230a_100011259139_100000748600 [0,1,0,0,0,1|1,0,0]=3 5993 B16R2.50359 CC#CCNC1CCOc2c1cccc2 2230a_100015190321_100000748600 [0,1,0,0,0,1|0,0,0]=2 5994 B16R2.50359 CC#CCNC1CCOc2c1nccc2 2230a_100009852857_100000748600 [0,1,0,0,0,1|1,0,0]=3 5995 B16R2.50359 CC#CCN[C@H]1CCCc2c1cccc2 34a_100020654734_100000748600 [0,1,0,0,0,1|0,0,0]=2 5996 B16R2.50359 CC#CCOC1CCCc2c1cccc2 34a_100000183665_100000748600 [0,1,0,0,0,1|1,0,0]=3 5997 B16R2.50359 CC#CCOC1CCCc2c1cccc2 7a_100000183665_100000748600 [0,1,0,0,0,1|1,0,0]=3 5998 B16R2.50359 CC#CCOC1CCOc2c1cccc2 7a_100000708930_100000748600 [0,1,0,0,0,1|1,0,0]=3 5999 B16R2.50359 CC#CCOC1COCc2c1cccc2 34a_100012179175_100000748600 [0,1,0,0,0,1|1,0,0]=3 6000 B16R2.50359 CC=CCNC1CCOc2c1cccc2 2230a_100015190321_100000070051 [0,1,0,0,0,1|0,0,2]=4 6001 B16R2.50359 CC=CCN[C@H]1CCCc2c1cccc2 34a_100020654734_100000070051 [0,1,0,0,0,1|0,0,2]=4 6002 B16R2.50359 CCCCNC1CCCc2c1cccc2 269862a_100000102301_100000210882 [0,1,0,0,0,1|0,0,2]=4 6003 B16R2.50359 CCCCNC1CCOc2c1cccc2 2230a_100015190321_100000210211 [0,1,0,0,0,1|0,0,2]=4 6004 B16R2.50359 CCCCNC1CCSc2c1cccc2 269862a_100000102301_100000183853 [0,1,0,0,0,1|0,0,2]=4 6005 B16R2.50359 CCCCNC1COCc2c1cccc2 269862a_100000102301_100000117393 [0,1,0,0,0,1|0,0,2]=4 6006 B16R2.50359 CCCCN[C@H]1CCCc2c1cccc2 34a_100020654734_100000210210 [0,1,0,0,0,1|0,0,2]=4 6007 B16R2.50359 CCCNCC1OCCc2c1cccc2 2230a_100000755408_100000210303 [0,1,0,0,0,1|0,0,2]=4 6008 B16R2.50359 CCCNCC1OCCc2c1cccc2 34a_100000755408_100000210303 [0,1,0,0,0,1|0,0,2]=4 6009 B16R2.50359 COCCNC1CCCc2c1cccc2 269862a_100000209980_100000210882 [0,1,0,0,0,1|0,0,2]=4 6010 B16R2.50359 COCCNC1CCOc2c1cccc2 2230a_100015190321_100011201679 [0,1,0,0,0,1|0,0,2]=4 6011 B16R2.50359 COCCNC1CCSc2c1cccc2 269862a_100000209980_100000183853 [0,1,0,0,0,1|0,0,2]=4 6012 B16R2.50359 COCCNC1COCc2c1cccc2 269862a_100000209980_100000117393 [0,1,0,0,0,1|0,0,2]=4 6013 B16R2.50359 COCCN[C@H]1CCCc2c1cccc2 34a_100020654734_100011201679 [0,1,0,0,0,1|0,0,2]=4 6014 B16R2.50359 COCNCC1OCCc2c1cccc2 2230a_100000755408_100000766300 [0,1,0,0,0,1|1,0,1]=4 6015 B16R2.50359 CSCCNC1CCCc2c1cccc2 269862a_100020590264_100000210882 [0,1,0,0,0,1|0,0,2]=4 6016 B16R2.50359 CSCCNC1CCOc2c1cccc2 2230a_100015190321_100000751147 [0,1,0,0,0,1|0,0,2]=4 6017 B16R2.50359 CSCCNC1CCSc2c1cccc2 269862a_100020590264_100000183853 [0,1,0,0,0,1|0,0,2]=4 6018 B16R2.50359 CSCCNC1COCc2c1cccc2 269862a_100020590264_100000117393 [0,1,0,0,0,1|0,0,2]=4 6019 B16R2.50359 CSCCN[C@H]1CCCc2c1cccc2 34a_100020654734_100000212216 [0,1,0,0,0,1|0,0,2]=4 6020 B16R2.50359 CSCNCC1OCCc2c1cccc2 2230a_100000755408_100011218213 [0,1,0,0,0,1|1,0,1]=4 6021 B16R2.50359 CSCNCC1OCCc2c1cccc2 34a_100000755408_100011218213 [0,1,0,0,0,1|1,0,1]=4 6022 B16R2.50359 FCCCNC1CCCc2c1cccc2 269862a_100015189416_100000210882 [0,1,0,0,0,1|0,0,2]=4 6023 B16R2.50359 FCCCNC1CCOc2c1cccc2 2230a_100015190321_100011934791 [0,1,0,0,0,1|0,0,2]=4 6024 B16R2.50359 FCCCNC1CCSc2c1cccc2 269862a_100015189416_100000183853 [0,1,0,0,0,1|0,0,2]=4 6025 B16R2.50359 FCCCNC1COCc2c1cccc2 269862a_100015189416_100000117393 [0,1,0,0,0,1|0,0,2]=4 6026 B16R2.50359 FCCCN[C@H]1CCCc2c1cccc2 34a_100020654734_100011934791 [0,1,0,0,0,1|0,0,2]=4 6027 B16R2.50359 FCCNCC1OCCc2c1cccc2 2230a_100000755408_100011217306 [0,1,0,0,0,1|1,0,1]=4 6028 B16R2.50359 FCCNCC1OCCc2c1cccc2 34a_100000755408_100011217306 [0,1,0,0,0,1|1,0,1]=4 6029 B16R2.50359 N#CCCNC1CCCc2c1ccnc2 2230a_100020634316_100011215226 [0,1,0,0,0,1|1,0,1]=4 6030 B16R2.50359 N#CCCNC1CCCc2c1nccc2 2230a_100011259139_100011215226 [0,1,0,0,0,1|1,0,1]=4 6031 B16R2.50359 N#CCCNC1CCOc2c1cccc2 2230a_100015190321_100011215226 [0,1,0,0,0,1|0,0,1]=3 6032 B16R2.50359 N#CCCNC1CCOc2c1nccc2 2230a_100009852857_100011215226 [0,1,0,0,0,1|1,0,1]=4 6033 B16R2.50359 N#CCCOC1CCCc2c1cccc2 7a_100000183665_100000184422 [0,1,0,0,0,1|1,0,1]=4 6034 B16R2.50359 N#CCCOC1CCOc2c1cccc2 7a_100000708930_100000184422 [0,1,0,0,0,1|1,0,1]=4 6035 B16R2.50359 N#CCNCC1OCCc2c1cccc2 2230a_100000755408_100011215382 [0,1,0,0,0,1|1,0,0]=3 6036 B16R2.50359 O=CCNCC1OCCc2c1cccc2 2230a_100000755408_200015260668 [0,1,0,0,0,1|1,0,1]=4 6037 B16R2.50359 O=CCNCC1OCCc2c1cccc2 34a_100000755408_200009817547 [0,1,0,0,0,1|1,0,1]=4 6038 B16R2.50359 OCCCNC1CCCc2c1cccc2 269862a_100000182051_100000210882 [0,1,0,0,0,1|0,0,2]=4 6039 B16R2.50359 OCCCNC1CCOc2c1cccc2 2230a_100015190321_100000230001 [0,1,0,0,0,1|0,0,2]=4 6040 B16R2.50359 OCCCNC1CCSc2c1cccc2 269862a_100000182051_100000183853 [0,1,0,0,0,1|0,0,2]=4 6041 B16R2.50359 OCCCNC1COCc2c1cccc2 269862a_100000182051_100000117393 [0,1,0,0,0,1|0,0,2]=4 6042 B16R2.50359 OCCCN[C@H]1CCCc2c1cccc2 34a_100020654734_100000230001 [0,1,0,0,0,1|0,0,2]=4 6043 B16R2.50359 OCCNCC1OCCc2c1cccc2 2230a_100000755408_100000211926 [0,1,0,0,0,1|1,0,1]=4 6044 B16R2.50359 OCCNCC1OCCc2c1cccc2 34a_100000755408_100000211926 [0,1,0,0,0,1|1,0,1]=4 6045 B16R2.160202 C#CCC(=O)C1CCCc2c1cccc2 1458a_100011198263_100000184674 [0,1,0,0,0,1|1,0,0]=3 6046 B16R2.160202 C#CCC(=O)C1OCCc2c1cccc2 1458a_100000026751_100000184674 [0,1,0,0,0,1|1,0,0]=3 6047 B16R2.160202 C#CCN(C)C1CCCc2c1cccc2 2230a_100000185324_100000038162 [0,1,0,0,0,1|0,0,0]=2 6048 B16R2.160202 C#CCN(C)C1CCCc2c1cccc2 34a_100000185324_100000184674 [0,1,0,0,0,1|0,0,0]=2 6049 B16R2.160202 C=CCN(C)C1CCCc2c1cccc2 2230a_100000185324_100000210623 [0,1,0,0,0,1|0,0,2]=4 6050 B16R2.160202 C=CCN(C)C1CCCc2c1cccc2 269982a_100000185324_100000210623 [0,1,0,0,0,1|0,0,2]=4 6051 B16R2.160202 C=CCN(C)C1CCCc2c1cccc2 34a_100000185324_100015514636 [0,1,0,0,0,1|0,0,2]=4 6052 B16R2.160202 CCCN(C)C1CCCc2c1cccc2 2230a_100000185324_100000210303 [0,1,0,0,0,1|0,0,2]=4 6053 B16R2.160202 CCCN(C)C1CCCc2c1cccc2 269982a_100000185324_100000210303 [0,1,0,0,0,1|0,0,2]=4 6054 B16R2.160202 CCCN(C)C1CCCc2c1cccc2 34a_100000185324_100000210303 [0,1,0,0,0,1|0,0,2]=4 6055 B16R2.160202 CN(CC#N)C1CCCc2c1cccc2 2230a_100000185324_100011215382 [0,1,0,0,0,1|1,0,0]=3 6056 B16R2.160202 CN(CC#N)C1CCCc2c1cccc2 269982a_100000185324_100011214920 [0,1,0,0,0,1|1,0,0]=3 6057 B16R2.160202 CN(CC=O)C1CCCc2c1cccc2 2230a_100000185324_200015260668 [0,1,0,0,0,1|1,0,1]=4 6058 B16R2.160202 CN(CC=O)C1CCCc2c1cccc2 269982a_100000185324_200015260668 [0,1,0,0,0,1|1,0,1]=4 6059 B16R2.160202 CN(CC=O)C1CCCc2c1cccc2 34a_100000185324_200009817547 [0,1,0,0,0,1|1,0,1]=4 6060 B16R2.160202 CN(CCF)C1CCCc2c1cccc2 2230a_100000185324_100011217306 [0,1,0,0,0,1|1,0,1]=4 6061 B16R2.160202 CN(CCF)C1CCCc2c1cccc2 269982a_100000185324_100011217306 [0,1,0,0,0,1|1,0,1]=4 6062 B16R2.160202 CN(CCF)C1CCCc2c1cccc2 34a_100000185324_100011217306 [0,1,0,0,0,1|1,0,1]=4 6063 B16R2.160202 CN(CCO)C1CCCc2c1cccc2 2230a_100000185324_100000211926 [0,1,0,0,0,1|1,0,1]=4 6064 B16R2.160202 CN(CCO)C1CCCc2c1cccc2 269982a_100000185324_100000211926 [0,1,0,0,0,1|1,0,1]=4 6065 B16R2.160202 CN(CCO)C1CCCc2c1cccc2 34a_100000185324_100000211926 [0,1,0,0,0,1|1,0,1]=4 6066 B16R2.160202 COCN(C)C1CCCc2c1cccc2 2230a_100000185324_100000766300 [0,1,0,0,0,1|1,0,1]=4 6067 B16R2.160202 COCN(C)C1CCCc2c1cccc2 269982a_100000185324_100000766300 [0,1,0,0,0,1|1,0,1]=4 6068 B16R2.160202 CSCN(C)C1CCCc2c1cccc2 2230a_100000185324_100011218213 [0,1,0,0,0,1|1,0,1]=4 6069 B16R2.160202 CSCN(C)C1CCCc2c1cccc2 269982a_100000185324_100011218213 [0,1,0,0,0,1|1,0,1]=4 6070 B16R2.160202 CSCN(C)C1CCCc2c1cccc2 34a_100000185324_100011218213 [0,1,0,0,0,1|1,0,1]=4 6071 B16R2.160202 N#CCC(=O)C1CCCc2c1cccc2 1458a_100011198263_100011214920 [0,1,0,0,0,1|2,0,0]=4 6072 B16R2.160202 N#CCC(=O)C1OCCc2c1cccc2 1458a_100000026751_100011214920 [0,1,0,0,0,1|2,0,0]=4 6073 B16R2.170412 C#CC(C)N[C@H]1CCCc2c1cccc2 34a_100020654734_200000035995 [0,1,0,0,0,1|0,0,0]=2 6074 B16R2.170412 C#CC(C)OC1CCCc2c1cccc2 34a_100000183665_200000035995 [0,1,0,0,0,1|1,0,0]=3 6075 B16R2.170412 C#CC(C)OC1COCc2c1cccc2 34a_100012179175_200000035995 [0,1,0,0,0,1|1,0,0]=3 6076 B16R2.170412 CC(C#N)NC1CCCc2c1ccnc2 2230a_100020634316_100000184139 [0,1,0,0,0,1|2,0,0]=4 6077 B16R2.170412 CC(C#N)NC1CCCc2c1nccc2 2230a_100011259139_100000184139 [0,1,0,0,0,1|2,0,0]=4 6078 B16R2.170412 CC(C#N)NC1CCOc2c1cccc2 2230a_100015190321_100000184139 [0,1,0,0,0,1|1,0,0]=3 6079 B16R2.170412 CC(C#N)NC1CCOc2c1nccc2 2230a_100009852857_100000184139 [0,1,0,0,0,1|2,0,0]=4 6080 B16R2.170412 CC(C#N)OC1CCCc2c1cccc2 7a_100000183665_100000703298 [0,1,0,0,0,1|2,0,0]=4 6081 B16R2.170412 CC(C#N)OC1CCOc2c1cccc2 7a_100000708930_100000703298 [0,1,0,0,0,1|2,0,0]=4 6082 B16R2.170412 CC(CO)NC1CCOc2c1cccc2 2230a_100015190321_100012180447 [0,1,0,0,0,1|1,0,1]=4 6083 B16R2.170412 CC(CO)N[C@H]1CCCc2c1cccc2 34a_100020654734_100012180447 [0,1,0,0,0,1|1,0,1]=4 6084 B16R2.170412 CCC(C)NC1CCCc2c1cccc2 269862a_100000209981_100000210882 [0,1,0,0,0,1|0,0,2]=4 6085 B16R2.170412 CCC(C)NC1CCOc2c1cccc2 2230a_100015190321_100000758301 [0,1,0,0,0,1|0,0,2]=4 6086 B16R2.170412 CCC(C)NC1CCSc2c1cccc2 269862a_100000209981_100000183853 [0,1,0,0,0,1|0,0,2]=4 6087 B16R2.170412 CCC(C)NC1COCc2c1cccc2 269862a_100000209981_100000117393 [0,1,0,0,0,1|0,0,2]=4 6088 B16R2.170412 CCC(C)N[C@H]1CCCc2c1cccc2 34a_100020654734_100011215416 [0,1,0,0,0,1|0,0,2]=4 6089 B16R2.170412 C[C@H](CF)NC1CCCc2c1cccc2 269862a_100102880703_100000210882 [0,1,0,0,0,1|1,0,1]=4 6090 B16R2.170412 C[C@H](CF)NC1CCSc2c1cccc2 269862a_100102880703_100000183853 [0,1,0,0,0,1|1,0,1]=4 6091 B16R2.170412 C[C@H](CF)NC1COCc2c1cccc2 269862a_100102880703_100000117393 [0,1,0,0,0,1|1,0,1]=4 6092 B16R2.170412 C[C@H](CO)NC1CCCc2c1cccc2 269862a_100000737577_100000210882 [0,1,0,0,0,1|1,0,1]=4 6093 B16R2.170412 C[C@H](CO)NC1CCSc2c1cccc2 269862a_100000737577_100000183853 [0,1,0,0,0,1|1,0,1]=4 6094 B16R2.170412 C[C@H](CO)NC1COCc2c1cccc2 269862a_100000737577_100000117393 [0,1,0,0,0,1|1,0,1]=4 6095 B16R2.179941 C=C(C)CNC1CCOc2c1cccc2 2230a_100015190321_100000748629 [0,1,0,0,0,1|0,0,2]=4 6096 B16R2.179941 C=C(C)CN[C@H]1CCCc2c1cccc2 34a_100020654734_100000748629 [0,1,0,0,0,1|0,0,2]=4 6097 B16R2.179941 C=C(F)CNC1CCOc2c1cccc2 2230a_100015190321_100009893438 [0,1,0,0,0,1|0,0,2]=4 6098 B16R2.179941 C=C(F)CN[C@H]1CCCc2c1cccc2 34a_100020654734_100009893438 [0,1,0,0,0,1|0,0,2]=4 6099 B16R2.179941 CC(C)CNC1CCCc2c1cccc2 269862a_100000210953_100000210882 [0,1,0,0,0,1|0,0,2]=4 6100 B16R2.179941 CC(C)CNC1CCOc2c1cccc2 2230a_100015190321_100000210760 [0,1,0,0,0,1|0,0,2]=4 6101 B16R2.179941 CC(C)CNC1CCOc2c1cccc2 270004a_100015190321_100000210432 [0,1,0,0,0,1|0,0,2]=4 6102 B16R2.179941 CC(C)CNC1CCSc2c1cccc2 269862a_100000210953_100000183853 [0,1,0,0,0,1|0,0,2]=4 6103 B16R2.179941 CC(C)CNC1COCc2c1cccc2 269862a_100000210953_100000117393 [0,1,0,0,0,1|0,0,2]=4 6104 B16R2.179941 CC(C)CN[C@H]1CCCc2c1cccc2 270004a_100020654734_100000210432 [0,1,0,0,0,1|0,0,2]=4 6105 B16R2.179941 CC(C)CN[C@H]1CCCc2c1cccc2 34a_100020654734_100000210624 [0,1,0,0,0,1|0,0,2]=4 6106 B16R2.179941 CC(O)CNC1CCCc2c1cccc2 269862a_100000210904_100000210882 [0,1,0,0,0,1|0,0,2]=4 6107 B16R2.179941 CC(O)CNC1CCOc2c1cccc2 2230a_100015190321_100011218427 [0,1,0,0,0,1|0,0,2]=4 6108 B16R2.179941 CC(O)CNC1CCSc2c1cccc2 269862a_100000210904_100000183853 [0,1,0,0,0,1|0,0,2]=4 6109 B16R2.179941 CC(O)CNC1COCc2c1cccc2 269862a_100000210904_100000117393 [0,1,0,0,0,1|0,0,2]=4 6110 B16R2.179941 CC(O)CN[C@H]1CCCc2c1cccc2 34a_100020654734_100011218427 [0,1,0,0,0,1|0,0,2]=4 6111 B16R2.179941 C[C@@H](O)CNC1CCOc2c1cccc2 2230a_100015190321_100009817552 [0,1,0,0,0,1|0,0,2]=4 6112 B16R2.179941 C[C@@H](O)CN[C@H]1CCCc2c1cccc2 34a_100020654734_100009817552 [0,1,0,0,0,1|0,0,2]=4 6113 B16R2.179941 FC(F)CNC1CCOc2c1cccc2 2230a_100015190321_100011934356 [0,1,0,0,0,1|1,0,1]=4 6114 B16R2.179941 FC(F)CN[C@H]1CCCc2c1cccc2 34a_100020654734_100011934356 [0,1,0,0,0,1|1,0,1]=4 6115 B16R2.179941 NC(=O)CNC1CCOc2c1cccc2 2230a_100015190321_100000747473 [0,1,0,0,0,1|1,0,1]=4 6116 B16R2.179941 NC(=O)CN[C@H]1CCCc2c1cccc2 34a_100020654734_100000187820 [0,1,0,0,0,1|1,0,1]=4 6117 B16R2.179941 O=C([O-])CN[C@H]1CCCc2c1cccc2 34a_100020654734_100020667443 [0,1,0,0,0,1|1,0,1]=4 6118 B16R2.179941 O=[N+]([O-])CN[C@H]1CCCc2c1cccc2 34a_100020654734_100000761209 [0,1,0,0,0,1|2,0,0]=4 6119 B16R2.3 C#CC(C)(C)N[C@H]1CCc2c1cccc2 34a_100016989578_100000038118 [0,2,0,0,0,0|0,0,0]=2 6120 B16R2.3 C#CC(C)(C)OC1CCc2c1cccc2 34a_100000212247_100000038118 [0,2,0,0,0,0|1,0,0]=3 6121 B16R2.3 C#CC(C)(C)SC1CCc2c1cccc2 62a_100000038118_200000721974 [0,2,0,0,0,0|1,0,0]=3 6122 B16R2.3 CC(C)(C#N)N[C@H]1CCc2c1cccc2 34a_100016989578_100011162410 [0,2,0,0,0,0|1,0,0]=3 6123 B16R2.3 CC(C)(C#N)OC1CCc2c1cccc2 34a_100000212247_100011162410 [0,2,0,0,0,0|2,0,0]=4 6124 B16R2.3 CC(C)(C#N)OC1CCc2c1cccc2 7a_100000212247_100011162410 [0,2,0,0,0,0|2,0,0]=4 6125 B16R2.3 CC(C)(C#N)SC1CCc2c1cccc2 62a_100011162410_200000721974 [0,2,0,0,0,0|2,0,0]=4 6126 B16R2.3 CC(C)(CO)NC1CCc2c1cccc2 2230a_100000210608_200000721974 [0,2,0,0,0,0|1,0,1]=4 6127 B16R2.3 CCC(C)(C)NC1CCc2c1cccc2 2230a_100000211385_200000721974 [0,2,0,0,0,0|0,0,2]=4 6128 B16R2.4 C=C[C@@H](CO)NC1CCc2c1cccc2 2230a_100016989147_200000721974 [0,2,0,0,0,0|0,0,2]=4 6129 B16R2.4 C=C[C@@H](CO)NC1CCc2c1cccc2 269862a_100016989147_100000212051 [0,2,0,0,0,0|0,0,2]=4 6130 B16R2.4 CCC(CC)NC1CCc2c1cccc2 2230a_100000199018_200000721974 [0,2,0,0,0,0|0,0,2]=4 6131 B16R2.4 CCC(CC)NC1CCc2c1cccc2 269862a_100000199018_100000212051 [0,2,0,0,0,0|0,0,2]=4 6132 B16R2.4 CCC(CC)N[C@H]1CCc2c1cccc2 270004a_100016989578_100000210860 [0,2,0,0,0,0|0,0,2]=4 6133 B16R2.4 CC[C@@H](CO)NC1CCc2c1cccc2 2230a_100000709445_200000721974 [0,2,0,0,0,0|0,0,2]=4 6134 B16R2.4 CC[C@@H](CO)NC1CCc2c1cccc2 269862a_100000709445_100000212051 [0,2,0,0,0,0|0,0,2]=4 6135 B16R2.4 N#CC(C#N)NC1CCc2c1cccc2 2230a_100000106176_200000721974 [0,2,0,0,0,0|1,0,0]=3 6136 B16R2.4 N#CC(C#N)SC1CCc2c1cccc2 62a_100000722193_200000721974 [0,2,0,0,0,0|2,0,0]=4 6137 B16R2.4 O=CC(C=O)N[C@H]1CCc2c1cccc2 2230a_100016989578_100000736813 [0,2,0,0,0,0|1,0,1]=4 6138 B16R2.4 O=CC(C=O)N[C@H]1CCc2c1cccc2 34a_100016989578_100000736813 [0,2,0,0,0,0|1,0,1]=4 6139 B16R2.4 OCC(CO)NC1CCc2c1cccc2 2230a_100000759517_200000721974 [0,2,0,0,0,0|1,0,1]=4 6140 B16R2.5 C#CCC(=O)CC1CCc2c1cccc2 1458a_100000756587_100000184674 [0,2,0,0,0,0|1,0,0]=3 6141 B16R2.5 C#CCC(=O)CN1CCc2c1cccc2 1458a_100000742689_100000184674 [0,2,0,0,0,0|2,0,0]=4 6142 B16R2.5 C#CCC(=O)NC1COc2c1cccc2 1626a_100000747519_100011220946 [0,2,0,0,0,0|1,0,0]=3 6143 B16R2.5 C#CCC(=O)NC1COc2c1cccc2 527a_100000747519_100011220946 [0,2,0,0,0,0|1,0,0]=3 6144 B16R2.5 C#CCC(=O)N[C@H]1CCc2c1cccc2 1626a_100016989578_100011220946 [0,2,0,0,0,0|0,0,0]=2 6145 B16R2.5 C#CCC(=O)N[C@H]1CCc2c1cccc2 527a_100016989578_100011220946 [0,2,0,0,0,0|0,0,0]=2 6146 B16R2.5 C=CCC(=O)N[C@H]1CCc2c1cccc2 11a_100016989578_100000210193 [0,2,0,0,0,0|0,0,2]=4 6147 B16R2.5 C=CCC(=O)N[C@H]1CCc2c1cccc2 1626a_100016989578_100000210193 [0,2,0,0,0,0|0,0,2]=4 6148 B16R2.5 C=CCC(=O)N[C@H]1CCc2c1cccc2 240690a_100016989578_100000210193 [0,2,0,0,0,0|0,0,2]=4 6149 B16R2.5 C=CCC(=O)N[C@H]1CCc2c1cccc2 527a_100016989578_100000210193 [0,2,0,0,0,0|0,0,2]=4 6150 B16R2.5 CC(CC#N)NC1COc2c1cccc2 2230a_100000747519_100009813641 [0,2,0,0,0,0|1,0,1]=4 6151 B16R2.5 CC(CC#N)N[C@H]1CCc2c1cccc2 2230a_100016989578_100009813641 [0,2,0,0,0,0|0,0,1]=3 6152 B16R2.5 CC(CC#N)OC1CCc2c1cccc2 7a_100000212247_100009813641 [0,2,0,0,0,0|1,0,1]=4 6153 B16R2.5 CC(CC#N)SC1CCc2c1cccc2 62a_100009813641_200000721974 [0,2,0,0,0,0|1,0,1]=4 6154 B16R2.5 CC(CCO)N[C@H]1CCc2c1cccc2 2230a_100016989578_100009893172 [0,2,0,0,0,0|0,0,2]=4 6155 B16R2.5 CC(CCO)N[C@H]1CCc2c1cccc2 34a_100016989578_100009893172 [0,2,0,0,0,0|0,0,2]=4 6156 B16R2.5 CCCC(=O)N[C@H]1CCc2c1cccc2 11a_100016989578_100000211992 [0,2,0,0,0,0|0,0,2]=4 6157 B16R2.5 CCCC(=O)N[C@H]1CCc2c1cccc2 1626a_100016989578_100000211992 [0,2,0,0,0,0|0,0,2]=4 6158 B16R2.5 CCCC(=O)N[C@H]1CCc2c1cccc2 240690a_100016989578_100000211992 [0,2,0,0,0,0|0,0,2]=4 6159 B16R2.5 CCCC(=O)N[C@H]1CCc2c1cccc2 527a_100016989578_100000211992 [0,2,0,0,0,0|0,0,2]=4 6160 B16R2.5 CCCC(C)NC1CCc2c1cccc2 2230a_100000741246_200000721974 [0,2,0,0,0,0|0,0,2]=4 6161 B16R2.5 CCCC(C)NC1CCc2c1cccc2 269862a_100000741246_100000212051 [0,2,0,0,0,0|0,0,2]=4 6162 B16R2.5 CCCC(C)N[C@H]1CCc2c1cccc2 2230a_100016989578_100000766640 [0,2,0,0,0,0|0,0,2]=4 6163 B16R2.5 CCCC(C)N[C@H]1CCc2c1cccc2 270004a_100016989578_100000211909 [0,2,0,0,0,0|0,0,2]=4 6164 B16R2.5 CCCC(C)N[C@H]1CCc2c1cccc2 34a_100016989578_100000766640 [0,2,0,0,0,0|0,0,2]=4 6165 B16R2.5 COCC(=O)N[C@H]1CCc2c1cccc2 11a_100016989578_100000210968 [0,2,0,0,0,0|1,0,1]=4 6166 B16R2.5 COCC(=O)N[C@H]1CCc2c1cccc2 1626a_100016989578_100000210968 [0,2,0,0,0,0|1,0,1]=4 6167 B16R2.5 COCC(=O)N[C@H]1CCc2c1cccc2 240690a_100016989578_100000210968 [0,2,0,0,0,0|1,0,1]=4 6168 B16R2.5 COCC(=O)N[C@H]1CCc2c1cccc2 527a_100016989578_100000210968 [0,2,0,0,0,0|1,0,1]=4 6169 B16R2.5 COCC(C)N[C@H]1CCc2c1cccc2 2230a_100016989578_100000765312 [0,2,0,0,0,0|0,0,2]=4 6170 B16R2.5 COCC(C)N[C@H]1CCc2c1cccc2 270004a_100016989578_100000749346 [0,2,0,0,0,0|0,0,2]=4 6171 B16R2.5 COCC(C)N[C@H]1CCc2c1cccc2 34a_100016989578_100000765312 [0,2,0,0,0,0|0,0,2]=4 6172 B16R2.5 COC[C@@H](C)NC1CCc2c1cccc2 2230a_100000764878_200000721974 [0,2,0,0,0,0|0,0,2]=4 6173 B16R2.5 COC[C@@H](C)NC1CCc2c1cccc2 269862a_100000764878_100000212051 [0,2,0,0,0,0|0,0,2]=4 6174 B16R2.5 CSCC(=O)N[C@H]1CCc2c1cccc2 11a_100016989578_100000184570 [0,2,0,0,0,0|1,0,1]=4 6175 B16R2.5 CSCC(=O)N[C@H]1CCc2c1cccc2 1626a_100016989578_100000184570 [0,2,0,0,0,0|1,0,1]=4 6176 B16R2.5 CSCC(=O)N[C@H]1CCc2c1cccc2 240690a_100016989578_100000184570 [0,2,0,0,0,0|1,0,1]=4 6177 B16R2.5 CSCC(=O)N[C@H]1CCc2c1cccc2 527a_100016989578_100000184570 [0,2,0,0,0,0|1,0,1]=4 6178 B16R2.5 CSCC(C)N[C@H]1CCc2c1cccc2 270004a_100016989578_100011216314 [0,2,0,0,0,0|0,0,2]=4 6179 B16R2.5 C[C@@H](CC#N)NC1CCc2c1cccc2 2230a_100016994482_200000721974 [0,2,0,0,0,0|0,0,1]=3 6180 B16R2.5 C[C@H](CCO)NC1CCc2c1cccc2 2230a_100000706166_200000721974 [0,2,0,0,0,0|0,0,2]=4 6181 B16R2.5 C[C@H](CCO)NC1CCc2c1cccc2 269862a_100000706166_100000212051 [0,2,0,0,0,0|0,0,2]=4 6182 B16R2.5 N#CCC(=O)CC1CCc2c1cccc2 1458a_100000756587_100011214920 [0,2,0,0,0,0|2,0,0]=4 6183 B16R2.5 N#CCC(=O)NC1COc2c1cccc2 1626a_100000747519_100051588842 [0,2,0,0,0,0|2,0,0]=4 6184 B16R2.5 N#CCC(=O)NC1COc2c1cccc2 240690a_100000747519_100051588842 [0,2,0,0,0,0|2,0,0]=4 6185 B16R2.5 N#CCC(=O)N[C@H]1CCc2c1cccc2 1626a_100016989578_100051588842 [0,2,0,0,0,0|1,0,0]=3 6186 B16R2.5 N#CCC(=O)N[C@H]1CCc2c1cccc2 240690a_100016989578_100051588842 [0,2,0,0,0,0|1,0,0]=3 6187 B16R2.5 O=C(CCO)N[C@H]1CCc2c1cccc2 240690a_100016989578_100011216618 [0,2,0,0,0,0|1,0,1]=4 6188 B16R2.12 C=C(C)C(C)N[C@H]1CCc2c1cccc2 269862a_100016989578_100011216138 [0,2,0,0,0,0|0,0,2]=4 6189 B16R2.12 CC(=O)C(C)N[C@H]1CCc2c1cccc2 2230a_100016989578_100009814033 [0,2,0,0,0,0|0,0,2]=4 6190 B16R2.12 CC(C)C(C)NC1CCc2c1cccc2 2230a_100000211541_200000721974 [0,2,0,0,0,0|0,0,2]=4 6191 B16R2.12 CC(C)C(C)NC1CCc2c1cccc2 269862a_100000211541_100000212051 [0,2,0,0,0,0|0,0,2]=4 6192 B16R2.12 CC(N[C@H]1CCc2c1cccc2)C(=O)N 2230a_100016989578_100000702099 [0,2,0,0,0,0|1,0,1]=4 6193 B16R2.12 CC(N[C@H]1CCc2c1cccc2)C(=O)N 34a_100016989578_100000702099 [0,2,0,0,0,0|1,0,1]=4 6194 B16R2.12 C[C@@H](NC1CCc2c1cccc2)C(=O)N 2230a_100000119354_200000721974 [0,2,0,0,0,0|1,0,1]=4 6195 B16R2.12 C[C@H](NC1CCc2c1cccc2)C(=O)O 269956a_100000743915_200000721974 [0,2,0,0,0,0|1,0,1]=4 6196 B16R2.12 NC(=O)C(F)N[C@H]1CCc2c1cccc2 2230a_100016989578_100009813875 [0,2,0,0,0,0|1,0,1]=4 6197 B16R2.12 NC(=O)C(F)N[C@H]1CCc2c1cccc2 34a_100016989578_100009813875 [0,2,0,0,0,0|1,0,1]=4 6198 B16R2.12 O=C([O-])C(F)N[C@H]1CCc2c1cccc2 34a_100016989578_100020610796 [0,2,0,0,0,0|1,0,1]=4 6199 B16R2.140 C#CC(C)NC1CCc2c1cccc2Br 34a_100000751068_200000035995 [0,2,0,0,0,0|0,0,0]=2 6200 B16R2.140 C#CC(C)NC1CCc2c1cccc2Cl 34a_100000743989_200000035995 [0,2,0,0,0,0|0,0,0]=2 6201 B16R2.140 C#CC(C)NC1COc2c1cccc2F 34a_200011230594_200000035995 [0,2,0,0,0,0|1,0,0]=3 6202 B16R2.140 C#CC(C)N[C@H]1CCc2c1cccc2C 34a_100134618347_200000035995 [0,2,0,0,0,0|0,0,0]=2 6203 B16R2.140 C#CC(C)N[C@H]1CCc2c1cccc2F 34a_100015193782_200000035995 [0,2,0,0,0,0|0,0,0]=2 6204 B16R2.140 C#CC(C)N[C@H]1CCc2c1cccc2O 34a_100134616730_200000035995 [0,2,0,0,0,0|0,0,0]=2 6205 B16R2.140 C#CC(C)N[C@H]1COc2c1cccc2Cl 34a_100102463758_200000035995 [0,2,0,0,0,0|1,0,0]=3 6206 B16R2.140 C#CC(C)OC1CCc2c1cccc2C 34a_100011467954_200000035995 [0,2,0,0,0,0|1,0,0]=3 6207 B16R2.140 C#CC(C)O[C@H]1CCc2c1cccc2Br 34a_100010080924_200000035995 [0,2,0,0,0,0|1,0,0]=3 6208 B16R2.140 CC(C#N)NC1CCc2c1cccc2Br 2230a_100000751068_100000184139 [0,2,0,0,0,0|1,0,0]=3 6209 B16R2.140 CC(C#N)NC1CCc2c1cccc2Cl 2230a_100000743989_100000184139 [0,2,0,0,0,0|1,0,0]=3 6210 B16R2.140 CC(C#N)NC1COc2c1cccc2Br 2230a_100025715106_100000184139 [0,2,0,0,0,0|2,0,0]=4 6211 B16R2.140 CC(C#N)NC1COc2c1cccc2F 2230a_200011230594_100000184139 [0,2,0,0,0,0|2,0,0]=4 6212 B16R2.140 CC(C#N)N[C@H]1CCc2c1cccc2F 2230a_100015193782_100000184139 [0,2,0,0,0,0|1,0,0]=3 6213 B16R2.140 CC(C#N)N[C@H]1CCc2c1cccc2O 2230a_100134616730_100000184139 [0,2,0,0,0,0|1,0,0]=3 6214 B16R2.140 CC(C#N)N[C@H]1COc2c1cccc2Cl 2230a_100102463758_100000184139 [0,2,0,0,0,0|2,0,0]=4 6215 B16R2.140 CC(C#N)O[C@H]1CCc2c1cccc2Br 7a_100010080924_100000703298 [0,2,0,0,0,0|2,0,0]=4 6216 B16R2.140 CC(CO)NC1CCc2c1cccc2Br 2230a_100000751068_100012180447 [0,2,0,0,0,0|1,0,1]=4 6217 B16R2.140 CC(CO)NC1CCc2c1cccc2Br 34a_100000751068_100012180447 [0,2,0,0,0,0|1,0,1]=4 6218 B16R2.140 CC(CO)NC1CCc2c1cccc2Cl 2230a_100000743989_100012180447 [0,2,0,0,0,0|1,0,1]=4 6219 B16R2.140 CC(CO)NC1CCc2c1cccc2Cl 34a_100000743989_100012180447 [0,2,0,0,0,0|1,0,1]=4 6220 B16R2.140 CC(CO)N[C@H]1CCc2c1cccc2F 2230a_100015193782_100012180447 [0,2,0,0,0,0|1,0,1]=4 6221 B16R2.140 CC(CO)N[C@H]1CCc2c1cccc2F 34a_100015193782_100012180447 [0,2,0,0,0,0|1,0,1]=4 6222 B16R2.140 CC(CO)N[C@H]1CCc2c1cccc2O 2230a_100134616730_100012180447 [0,2,0,0,0,0|1,0,1]=4 6223 B16R2.140 CC(CO)N[C@H]1CCc2c1cccc2O 34a_100134616730_100012180447 [0,2,0,0,0,0|1,0,1]=4 6224 B16R2.140 CCC(C)NC1CCc2c1cccc2Br 2230a_100000751068_100000758301 [0,2,0,0,0,0|0,0,2]=4 6225 B16R2.140 CCC(C)NC1CCc2c1cccc2Br 269862a_100000209981_100000744605 [0,2,0,0,0,0|0,0,2]=4 6226 B16R2.140 CCC(C)NC1CCc2c1cccc2Br 34a_100000751068_100011215416 [0,2,0,0,0,0|0,0,2]=4 6227 B16R2.140 CCC(C)NC1CCc2c1cccc2C 269862a_100000209981_100000752022 [0,2,0,0,0,0|0,0,2]=4 6228 B16R2.140 CCC(C)NC1CCc2c1cccc2Cl 2230a_100000743989_100000758301 [0,2,0,0,0,0|0,0,2]=4 6229 B16R2.140 CCC(C)NC1CCc2c1cccc2Cl 269862a_100000209981_100000743251 [0,2,0,0,0,0|0,0,2]=4 6230 B16R2.140 CCC(C)NC1CCc2c1cccc2Cl 34a_100000743989_100011215416 [0,2,0,0,0,0|0,0,2]=4 6231 B16R2.140 CCC(C)NC1CCc2c1cccc2F 269862a_100000209981_100000743250 [0,2,0,0,0,0|0,0,2]=4 6232 B16R2.140 CCC(C)NC1CCc2c1cccc2I 269862a_100000209981_100000049675 [0,2,0,0,0,0|0,0,2]=4 6233 B16R2.140 CCC(C)N[C@H]1CCc2c1cccc2C 2230a_100134618347_100000758301 [0,2,0,0,0,0|0,0,2]=4 6234 B16R2.140 CCC(C)N[C@H]1CCc2c1cccc2C 34a_100134618347_100011215416 [0,2,0,0,0,0|0,0,2]=4 6235 B16R2.140 CCC(C)N[C@H]1CCc2c1cccc2F 2230a_100015193782_100000758301 [0,2,0,0,0,0|0,0,2]=4 6236 B16R2.140 CCC(C)N[C@H]1CCc2c1cccc2F 34a_100015193782_100011215416 [0,2,0,0,0,0|0,0,2]=4 6237 B16R2.140 CCC(C)N[C@H]1CCc2c1cccc2O 2230a_100134616730_100000758301 [0,2,0,0,0,0|0,0,2]=4 6238 B16R2.140 CCC(C)N[C@H]1CCc2c1cccc2O 34a_100134616730_100011215416 [0,2,0,0,0,0|0,0,2]=4 6239 B16R2.140 C[C@H](CF)NC1CCc2c1cccc2Br 269862a_100102880703_100000744605 [0,2,0,0,0,0|1,0,1]=4 6240 B16R2.140 C[C@H](CF)NC1CCc2c1cccc2Cl 269862a_100102880703_100000743251 [0,2,0,0,0,0|1,0,1]=4 6241 B16R2.140 C[C@H](CF)NC1CCc2c1cccc2F 269862a_100102880703_100000743250 [0,2,0,0,0,0|1,0,1]=4 6242 B16R2.140 C[C@H](CF)NC1CCc2c1cccc2I 269862a_100102880703_100000049675 [0,2,0,0,0,0|1,0,1]=4 6243 B16R2.140 C[C@H](CO)NC1CCc2c1cccc2Br 269862a_100000737577_100000744605 [0,2,0,0,0,0|1,0,1]=4 6244 B16R2.140 C[C@H](CO)NC1CCc2c1cccc2Cl 269862a_100000737577_100000743251 [0,2,0,0,0,0|1,0,1]=4 6245 B16R2.140 C[C@H](CO)NC1CCc2c1cccc2F 269862a_100000737577_100000743250 [0,2,0,0,0,0|1,0,1]=4 6246 B16R2.140 C[C@H](CO)NC1CCc2c1cccc2I 269862a_100000737577_100000049675 [0,2,0,0,0,0|1,0,1]=4 6247 B16R2.140 Cc1cccc2c1CCC2N[C@H](C)CF 269862a_100102880703_100000752022 [0,2,0,0,0,0|1,0,1]=4 6248 B16R2.140 Cc1cccc2c1CCC2N[C@H](C)CO 269862a_100000737577_100000752022 [0,2,0,0,0,0|1,0,1]=4 6249 B16R2.140 Cc1cccc2c1CCC2OC(C)C#N 7a_100011467954_100000703298 [0,2,0,0,0,0|2,0,0]=4 6250 B16R2.140 Cc1cccc2c1CC[C@@H]2NC(C)C#N 2230a_100134618347_100000184139 [0,2,0,0,0,0|1,0,0]=3 6251 B16R2.140 Cc1cccc2c1CC[C@@H]2NC(C)CO 2230a_100134618347_100012180447 [0,2,0,0,0,0|1,0,1]=4 6252 B16R2.140 Cc1cccc2c1CC[C@@H]2NC(C)CO 34a_100134618347_100012180447 [0,2,0,0,0,0|1,0,1]=4 6253 B16R2.2224 C#CC(C)C(=O)C1CCc2c1cccc2 1458a_100000750891_200000035995 [0,2,0,0,0,0|1,0,0]=3 6254 B16R2.2224 CC(C#N)C(=O)C1CCc2c1cccc2 1458a_100000750891_100000703298 [0,2,0,0,0,0|2,0,0]=4 6255 B16R2.2224 CC(CO)N(C)C1CCc2c1cccc2 2230a_100000693034_200000721974 [0,2,0,0,0,0|1,0,1]=4 6256 B16R2.2224 CC(CO)N(C)C1CCc2c1cccc2 269982a_100000693034_200000721974 [0,2,0,0,0,0|1,0,1]=4 6257 B16R2.2224 CCC(C)N(C)C1CCc2c1cccc2 2230a_100000741768_200000721974 [0,2,0,0,0,0|0,0,2]=4 6258 B16R2.2224 CCC(C)N(C)C1CCc2c1cccc2 269982a_100000741768_200000721974 [0,2,0,0,0,0|0,0,2]=4 6259 B16R2.33556 C#CC(C)NC1CC(=O)c2c1cccc2 2230a_100000707721_100010208147 [0,2,0,0,0,0|0,0,1]=3 6260 B16R2.33556 C#CC(C)NC1OC(=O)c2c1cccc2 2230a_100000707721_100009813457 [0,2,0,0,0,0|1,0,1]=4 6261 B16R2.33556 C#CC(C)SC1CC(=O)c2c1cccc2 62a_200000035995_100010208147 [0,2,0,0,0,0|1,0,1]=4 6262 B16R2.33556 C#C[C@@H](C)OC1CC(=O)c2c1cccc2 7a_100009815206_100010208147 [0,2,0,0,0,0|1,0,1]=4 6263 B16R2.33556 CC(C#N)NC1CC(=O)c2c1cccc2 2230a_100000737613_100010208147 [0,2,0,0,0,0|1,0,1]=4 6264 B16R2.33556 CC1CC(c2c1cccc2)N[C@H](C)CF 269862a_100102880703_100000750356 [0,2,0,0,0,0|1,0,1]=4 6265 B16R2.33556 CC1CC(c2c1cccc2)N[C@H](C)CO 269862a_100000737577_100000750356 [0,2,0,0,0,0|1,0,1]=4 6266 B16R2.33556 CCC(C)NC1CC(c2c1cccc2)C 269862a_100000209981_100000750356 [0,2,0,0,0,0|0,0,2]=4 6267 B16R2.33562 CC(C#N)N[C@H]1c2ccccc2C[C@H]1O 2230a_100000744645_100000184139 [0,2,0,0,0,0|1,0,0]=3 6268 B16R2.33562 CC(CO)N[C@H]1c2ccccc2C[C@H]1O 2230a_100000744645_100012180447 [0,2,0,0,0,0|1,0,1]=4 6269 B16R2.33562 CCC(C)N[C@H]1c2ccccc2C[C@H]1O 2230a_100000744645_100000758301 [0,2,0,0,0,0|0,0,2]=4 6270 B16R2.34357 C#CC(C)NC1CCc2c1ccc(c2)Br 34a_100000744021_200000035995 [0,2,0,0,0,0|0,0,0]=2 6271 B16R2.34357 C#CC(C)NC1CCc2c1ccc(c2)C 34a_200000746848_200000035995 [0,2,0,0,0,0|0,0,0]=2 6272 B16R2.34357 C#CC(C)NC1CCc2c1ccc(c2)Cl 34a_100000743821_200000035995 [0,2,0,0,0,0|0,0,0]=2 6273 B16R2.34357 C#CC(C)N[C@@H]1CCc2c1ccc(c2)F 34a_100025717273_200000035995 [0,2,0,0,0,0|0,0,0]=2 6274 B16R2.34357 C#CC(C)N[C@H]1COc2c1ccc(c2)F 34a_100102463760_200000035995 [0,2,0,0,0,0|1,0,0]=3 6275 B16R2.34357 C#CC(C)OC1CCc2c1ccc(c2)Br 34a_100000747877_200000035995 [0,2,0,0,0,0|1,0,0]=3 6276 B16R2.34357 C#CC(C)OC1CCc2c1ccc(c2)C 34a_100000103036_200000035995 [0,2,0,0,0,0|1,0,0]=3 6277 B16R2.34357 C#CC(C)OC1CCc2c1ccc(c2)Cl 34a_100012002497_200000035995 [0,2,0,0,0,0|1,0,0]=3 6278 B16R2.34357 C#CC(C)OC1CCc2c1ccc(c2)F 34a_100012002498_200000035995 [0,2,0,0,0,0|1,0,0]=3 6279 B16R2.34357 CC(C#N)NC1CCc2c1ccc(c2)Br 2230a_100000744021_100000184139 [0,2,0,0,0,0|1,0,0]=3 6280 B16R2.34357 CC(C#N)NC1CCc2c1ccc(c2)Cl 2230a_100000743821_100000184139 [0,2,0,0,0,0|1,0,0]=3 6281 B16R2.34357 CC(C#N)NC1COc2c1ccc(c2)Br 2230a_100020628175_100000184139 [0,2,0,0,0,0|2,0,0]=4 6282 B16R2.34357 CC(C#N)N[C@@H]1CCc2c1ccc(c2)F 2230a_100025717273_100000184139 [0,2,0,0,0,0|1,0,0]=3 6283 B16R2.34357 CC(C#N)N[C@@H]1COc2c1ccc(c2)Cl 2230a_100138412546_100000184139 [0,2,0,0,0,0|2,0,0]=4 6284 B16R2.34357 CC(C#N)N[C@H]1COc2c1ccc(c2)F 2230a_100102463760_100000184139 [0,2,0,0,0,0|2,0,0]=4 6285 B16R2.34357 CC(C#N)OC1CCc2c1ccc(c2)Br 7a_100000747877_100000703298 [0,2,0,0,0,0|2,0,0]=4 6286 B16R2.34357 CC(C#N)OC1CCc2c1ccc(c2)Cl 7a_100012002497_100000703298 [0,2,0,0,0,0|2,0,0]=4 6287 B16R2.34357 CC(C#N)OC1CCc2c1ccc(c2)F 7a_100012002498_100000703298 [0,2,0,0,0,0|2,0,0]=4 6288 B16R2.34357 CC(CO)NC1CCc2c1ccc(c2)Br 2230a_100000744021_100012180447 [0,2,0,0,0,0|1,0,1]=4 6289 B16R2.34357 CC(CO)NC1CCc2c1ccc(c2)Br 34a_100000744021_100012180447 [0,2,0,0,0,0|1,0,1]=4 6290 B16R2.34357 CC(CO)NC1CCc2c1ccc(c2)Cl 2230a_100000743821_100012180447 [0,2,0,0,0,0|1,0,1]=4 6291 B16R2.34357 CC(CO)NC1CCc2c1ccc(c2)Cl 34a_100000743821_100012180447 [0,2,0,0,0,0|1,0,1]=4 6292 B16R2.34357 CC(CO)N[C@@H]1CCc2c1ccc(c2)F 2230a_100025717273_100012180447 [0,2,0,0,0,0|1,0,1]=4 6293 B16R2.34357 CC(CO)N[C@@H]1CCc2c1ccc(c2)F 34a_100025717273_100012180447 [0,2,0,0,0,0|1,0,1]=4 6294 B16R2.34357 CCC(C)NC1CCc2c1ccc(c2)Br 2230a_100000744021_100000758301 [0,2,0,0,0,0|0,0,2]=4 6295 B16R2.34357 CCC(C)NC1CCc2c1ccc(c2)Br 269862a_100000209981_100000737041 [0,2,0,0,0,0|0,0,2]=4 6296 B16R2.34357 CCC(C)NC1CCc2c1ccc(c2)Br 34a_100000744021_100011215416 [0,2,0,0,0,0|0,0,2]=4 6297 B16R2.34357 CCC(C)NC1CCc2c1ccc(c2)C 2230a_200000746848_100000758301 [0,2,0,0,0,0|0,0,2]=4 6298 B16R2.34357 CCC(C)NC1CCc2c1ccc(c2)C 269862a_100000209981_100000743249 [0,2,0,0,0,0|0,0,2]=4 6299 B16R2.34357 CCC(C)NC1CCc2c1ccc(c2)C 34a_200000746848_100011215416 [0,2,0,0,0,0|0,0,2]=4 6300 B16R2.34357 CCC(C)NC1CCc2c1ccc(c2)Cl 2230a_100000743821_100000758301 [0,2,0,0,0,0|0,0,2]=4 6301 B16R2.34357 CCC(C)NC1CCc2c1ccc(c2)Cl 269862a_100000209981_100000751102 [0,2,0,0,0,0|0,0,2]=4 6302 B16R2.34357 CCC(C)NC1CCc2c1ccc(c2)Cl 34a_100000743821_100011215416 [0,2,0,0,0,0|0,0,2]=4 6303 B16R2.34357 CCC(C)NC1CCc2c1ccc(c2)F 269862a_100000209981_100000035798 [0,2,0,0,0,0|0,0,2]=4 6304 B16R2.34357 CCC(C)NC1CCc2c1ccc(c2)I 269862a_100000209981_100000049573 [0,2,0,0,0,0|0,0,2]=4 6305 B16R2.34357 CCC(C)N[C@@H]1CCc2c1ccc(c2)F 2230a_100025717273_100000758301 [0,2,0,0,0,0|0,0,2]=4 6306 B16R2.34357 CCC(C)N[C@@H]1CCc2c1ccc(c2)F 34a_100025717273_100011215416 [0,2,0,0,0,0|0,0,2]=4 6307 B16R2.34357 C[C@H](CF)NC1CCc2c1ccc(c2)Br 269862a_100102880703_100000737041 [0,2,0,0,0,0|1,0,1]=4 6308 B16R2.34357 C[C@H](CF)NC1CCc2c1ccc(c2)Cl 269862a_100102880703_100000751102 [0,2,0,0,0,0|1,0,1]=4 6309 B16R2.34357 C[C@H](CF)NC1CCc2c1ccc(c2)F 269862a_100102880703_100000035798 [0,2,0,0,0,0|1,0,1]=4 6310 B16R2.34357 C[C@H](CF)NC1CCc2c1ccc(c2)I 269862a_100102880703_100000049573 [0,2,0,0,0,0|1,0,1]=4 6311 B16R2.34357 C[C@H](CO)NC1CCc2c1ccc(c2)Br 269862a_100000737577_100000737041 [0,2,0,0,0,0|1,0,1]=4 6312 B16R2.34357 C[C@H](CO)NC1CCc2c1ccc(c2)Cl 269862a_100000737577_100000751102 [0,2,0,0,0,0|1,0,1]=4 6313 B16R2.34357 C[C@H](CO)NC1CCc2c1ccc(c2)F 269862a_100000737577_100000035798 [0,2,0,0,0,0|1,0,1]=4 6314 B16R2.34357 C[C@H](CO)NC1CCc2c1ccc(c2)I 269862a_100000737577_100000049573 [0,2,0,0,0,0|1,0,1]=4 6315 B16R2.34357 Cc1ccc2c(c1)CCC2NC(C)C#N 2230a_200000746848_100000184139 [0,2,0,0,0,0|1,0,0]=3 6316 B16R2.34357 Cc1ccc2c(c1)CCC2NC(C)CO 2230a_200000746848_100012180447 [0,2,0,0,0,0|1,0,1]=4 6317 B16R2.34357 Cc1ccc2c(c1)CCC2NC(C)CO 34a_200000746848_100012180447 [0,2,0,0,0,0|1,0,1]=4 6318 B16R2.34357 Cc1ccc2c(c1)CCC2N[C@H](C)CF 269862a_100102880703_100000743249 [0,2,0,0,0,0|1,0,1]=4 6319 B16R2.34357 Cc1ccc2c(c1)CCC2N[C@H](C)CO 269862a_100000737577_100000743249 [0,2,0,0,0,0|1,0,1]=4 6320 B16R2.34357 Cc1ccc2c(c1)CCC2OC(C)C#N 7a_100000103036_100000703298 [0,2,0,0,0,0|2,0,0]=4 6321 B16R2.175432 C#CC(C)OC1(CCc2c1cccc2)C 34a_100000685031_200000035995 [0,2,0,0,0,0|1,0,0]=3 6322 B16R2.175432 CC(C#N)OC1(CCc2c1cccc2)C 7a_100000685031_100000703298 [0,2,0,0,0,0|2,0,0]=4 6323 B16R2.176317 C#CC(C)NC1CCc2c1c(ccc2)Br 34a_100103168669_200000035995 [0,2,0,0,0,0|0,0,0]=2 6324 B16R2.176317 C#CC(C)N[C@@H]1COc2c1c(ccc2)F 34a_200015272058_200000035995 [0,2,0,0,0,0|1,0,0]=3 6325 B16R2.176317 CC(C#N)NC1CCc2c1c(ccc2)Br 2230a_100103168669_100000184139 [0,2,0,0,0,0|1,0,0]=3 6326 B16R2.176317 CC(C#N)N[C@@H]1COc2c1c(ccc2)F 2230a_200015272058_100000184139 [0,2,0,0,0,0|2,0,0]=4 6327 B16R2.176317 CC(CO)NC1CCc2c1c(ccc2)Br 2230a_100103168669_100012180447 [0,2,0,0,0,0|1,0,1]=4 6328 B16R2.176317 CC(CO)NC1CCc2c1c(ccc2)Br 34a_100103168669_100012180447 [0,2,0,0,0,0|1,0,1]=4 6329 B16R2.176317 CCC(C)NC1CCc2c1c(ccc2)Br 2230a_100103168669_100000758301 [0,2,0,0,0,0|0,0,2]=4 6330 B16R2.176317 CCC(C)NC1CCc2c1c(ccc2)Br 34a_100103168669_100011215416 [0,2,0,0,0,0|0,0,2]=4 6331 B16R2.176359 C#CC(C)NC1CCc2c1cc(cc2)Br 34a_100011435097_200000035995 [0,2,0,0,0,0|0,0,0]=2 6332 B16R2.176359 C#CC(C)NC1CCc2c1cc(cc2)Cl 34a_100016987686_200000035995 [0,2,0,0,0,0|0,0,0]=2 6333 B16R2.176359 C#CC(C)NC1CCc2c1cc(cc2)F 34a_100000752734_200000035995 [0,2,0,0,0,0|0,0,0]=2 6334 B16R2.176359 C#CC(C)N[C@@H]1COc2c1cc(cc2)F 34a_100161114692_200000035995 [0,2,0,0,0,0|1,0,0]=3 6335 B16R2.176359 C#CC(C)OC1CCc2c1cc(cc2)Br 34a_100011836024_200000035995 [0,2,0,0,0,0|1,0,0]=3 6336 B16R2.176359 CC(C#N)NC1CCc2c1cc(cc2)Br 2230a_100011435097_100000184139 [0,2,0,0,0,0|1,0,0]=3 6337 B16R2.176359 CC(C#N)NC1CCc2c1cc(cc2)Cl 2230a_100016987686_100000184139 [0,2,0,0,0,0|1,0,0]=3 6338 B16R2.176359 CC(C#N)NC1CCc2c1cc(cc2)F 2230a_100000752734_100000184139 [0,2,0,0,0,0|1,0,0]=3 6339 B16R2.176359 CC(C#N)NC1COc2c1cc(cc2)Cl 2230a_100000705955_100000184139 [0,2,0,0,0,0|2,0,0]=4 6340 B16R2.176359 CC(C#N)N[C@@H]1COc2c1cc(cc2)F 2230a_100161114692_100000184139 [0,2,0,0,0,0|2,0,0]=4 6341 B16R2.176359 CC(C#N)OC1CCc2c1cc(cc2)Br 7a_100011836024_100000703298 [0,2,0,0,0,0|2,0,0]=4 6342 B16R2.176359 CC(CO)NC1CCc2c1cc(cc2)Br 2230a_100011435097_100012180447 [0,2,0,0,0,0|1,0,1]=4 6343 B16R2.176359 CC(CO)NC1CCc2c1cc(cc2)Br 34a_100011435097_100012180447 [0,2,0,0,0,0|1,0,1]=4 6344 B16R2.176359 CC(CO)NC1CCc2c1cc(cc2)Cl 2230a_100016987686_100012180447 [0,2,0,0,0,0|1,0,1]=4 6345 B16R2.176359 CC(CO)NC1CCc2c1cc(cc2)Cl 34a_100016987686_100012180447 [0,2,0,0,0,0|1,0,1]=4 6346 B16R2.176359 CC(CO)NC1CCc2c1cc(cc2)F 2230a_100000752734_100012180447 [0,2,0,0,0,0|1,0,1]=4 6347 B16R2.176359 CC(CO)NC1CCc2c1cc(cc2)F 34a_100000752734_100012180447 [0,2,0,0,0,0|1,0,1]=4 6348 B16R2.176359 CCC(C)NC1CCc2c1cc(cc2)Br 2230a_100011435097_100000758301 [0,2,0,0,0,0|0,0,2]=4 6349 B16R2.176359 CCC(C)NC1CCc2c1cc(cc2)Br 269862a_100000209981_100000759401 [0,2,0,0,0,0|0,0,2]=4 6350 B16R2.176359 CCC(C)NC1CCc2c1cc(cc2)Br 34a_100011435097_100011215416 [0,2,0,0,0,0|0,0,2]=4 6351 B16R2.176359 CCC(C)NC1CCc2c1cc(cc2)C 269862a_100000209981_100000753597 [0,2,0,0,0,0|0,0,2]=4 6352 B16R2.176359 CCC(C)NC1CCc2c1cc(cc2)Cl 2230a_100016987686_100000758301 [0,2,0,0,0,0|0,0,2]=4 6353 B16R2.176359 CCC(C)NC1CCc2c1cc(cc2)Cl 269862a_100000209981_100000759629 [0,2,0,0,0,0|0,0,2]=4 6354 B16R2.176359 CCC(C)NC1CCc2c1cc(cc2)Cl 34a_100016987686_100011215416 [0,2,0,0,0,0|0,0,2]=4 6355 B16R2.176359 CCC(C)NC1CCc2c1cc(cc2)F 2230a_100000752734_100000758301 [0,2,0,0,0,0|0,0,2]=4 6356 B16R2.176359 CCC(C)NC1CCc2c1cc(cc2)F 269862a_100000209981_100000759630 [0,2,0,0,0,0|0,0,2]=4 6357 B16R2.176359 CCC(C)NC1CCc2c1cc(cc2)F 34a_100000752734_100011215416 [0,2,0,0,0,0|0,0,2]=4 6358 B16R2.176359 CCC(C)NC1CCc2c1cc(cc2)I 269862a_100000209981_100011356848 [0,2,0,0,0,0|0,0,2]=4 6359 B16R2.176359 C[C@H](CF)NC1CCc2c1cc(cc2)Br 269862a_100102880703_100000759401 [0,2,0,0,0,0|1,0,1]=4 6360 B16R2.176359 C[C@H](CF)NC1CCc2c1cc(cc2)Cl 269862a_100102880703_100000759629 [0,2,0,0,0,0|1,0,1]=4 6361 B16R2.176359 C[C@H](CF)NC1CCc2c1cc(cc2)F 269862a_100102880703_100000759630 [0,2,0,0,0,0|1,0,1]=4 6362 B16R2.176359 C[C@H](CF)NC1CCc2c1cc(cc2)I 269862a_100102880703_100011356848 [0,2,0,0,0,0|1,0,1]=4 6363 B16R2.176359 C[C@H](CO)NC1CCc2c1cc(cc2)Br 269862a_100000737577_100000759401 [0,2,0,0,0,0|1,0,1]=4 6364 B16R2.176359 C[C@H](CO)NC1CCc2c1cc(cc2)Cl 269862a_100000737577_100000759629 [0,2,0,0,0,0|1,0,1]=4 6365 B16R2.176359 C[C@H](CO)NC1CCc2c1cc(cc2)F 269862a_100000737577_100000759630 [0,2,0,0,0,0|1,0,1]=4 6366 B16R2.176359 C[C@H](CO)NC1CCc2c1cc(cc2)I 269862a_100000737577_100011356848 [0,2,0,0,0,0|1,0,1]=4 6367 B16R2.176359 Cc1ccc2c(c1)C(CC2)N[C@H](C)CF 269862a_100102880703_100000753597 [0,2,0,0,0,0|1,0,1]=4 6368 B16R2.176359 Cc1ccc2c(c1)C(CC2)N[C@H](C)CO 269862a_100000737577_100000753597 [0,2,0,0,0,0|1,0,1]=4 6369 B16R2.6 C#CCCCNC1COc2c1cccc2 2230a_100000747519_100000731252 [0,2,0,0,0,0|1,0,0]=3 6370 B16R2.6 C#CCCCN[C@H]1CCc2c1cccc2 2230a_100016989578_100000731252 [0,2,0,0,0,0|0,0,0]=2 6371 B16R2.6 C#CCCCN[C@H]1CCc2c1cccc2 34a_100016989578_100000695029 [0,2,0,0,0,0|0,0,0]=2 6372 B16R2.6 C#CCCCOC1CCc2c1cccc2 34a_100000212247_100000695029 [0,2,0,0,0,0|1,0,0]=3 6373 B16R2.6 C#CCCCOC1CCc2c1cccc2 7a_100000212247_100011215417 [0,2,0,0,0,0|1,0,0]=3 6374 B16R2.6 C#CCCCSC1CCc2c1cccc2 62a_100011215417_200000721974 [0,2,0,0,0,0|1,0,0]=3 6375 B16R2.6 C#CCCNCC1CCc2c1cccc2 2230a_100020632452_100000688953 [0,2,0,0,0,0|0,0,0]=2 6376 B16R2.6 C#CCCNCC1CCc2c1cccc2 34a_100020632452_100000688953 [0,2,0,0,0,0|0,0,0]=2 6377 B16R2.6 C#CCNCCN1CCc2c1cccc2 2230a_100000741946_100000038162 [0,2,0,0,0,0|1,0,0]=3 6378 B16R2.6 C/C=C/CNCC1CCc2c1cccc2 34a_100020632452_100102629194 [0,2,0,0,0,0|0,0,2]=4 6379 B16R2.6 C=CCCCNC1CCc2c1cccc2 2230a_100000700776_200000721974 [0,2,0,0,0,0|0,0,2]=4 6380 B16R2.6 C=CCCCNC1CCc2c1cccc2 269862a_100000700776_100000212051 [0,2,0,0,0,0|0,0,2]=4 6381 B16R2.6 C=CCCCN[C@H]1CCc2c1cccc2 2230a_100016989578_100011713584 [0,2,0,0,0,0|0,0,2]=4 6382 B16R2.6 C=CCCCN[C@H]1CCc2c1cccc2 34a_100016989578_100000757094 [0,2,0,0,0,0|0,0,2]=4 6383 B16R2.6 C=CCCNCC1CCc2c1cccc2 2230a_100020632452_100000754431 [0,2,0,0,0,0|0,0,2]=4 6384 B16R2.6 C=CCCNCC1CCc2c1cccc2 34a_100020632452_100000754431 [0,2,0,0,0,0|0,0,2]=4 6385 B16R2.6 C=COCCN[C@H]1CCc2c1cccc2 2230a_100016989578_100000039644 [0,2,0,0,0,0|0,0,2]=4 6386 B16R2.6 C=COCCN[C@H]1CCc2c1cccc2 34a_100016989578_100000039644 [0,2,0,0,0,0|0,0,2]=4 6387 B16R2.6 CC#CCNCC1CCc2c1cccc2 2230a_100020632452_100000748600 [0,2,0,0,0,0|0,0,0]=2 6388 B16R2.6 CC#CCNCC1CCc2c1cccc2 34a_100020632452_100000748600 [0,2,0,0,0,0|0,0,0]=2 6389 B16R2.6 CC/C=C\CN[C@H]1CCc2c1cccc2 2230a_100016989578_100103147603 [0,2,0,0,0,0|0,0,2]=4 6390 B16R2.6 CC/C=C\CN[C@H]1CCc2c1cccc2 34a_100016989578_100103147603 [0,2,0,0,0,0|0,0,2]=4 6391 B16R2.6 CC=CCNCC1CCc2c1cccc2 2230a_100020632452_100000070051 [0,2,0,0,0,0|0,0,2]=4 6392 B16R2.6 CC=CCNCC1CCc2c1cccc2 34a_100020632452_100000070051 [0,2,0,0,0,0|0,0,2]=4 6393 B16R2.6 CCC#CCNC1COc2c1cccc2 2230a_100000747519_100009813939 [0,2,0,0,0,0|1,0,0]=3 6394 B16R2.6 CCC#CCN[C@H]1CCc2c1cccc2 2230a_100016989578_100009813939 [0,2,0,0,0,0|0,0,0]=2 6395 B16R2.6 CCC#CCN[C@H]1CCc2c1cccc2 34a_100016989578_100009813939 [0,2,0,0,0,0|0,0,0]=2 6396 B16R2.6 CCC#CCOC1CCc2c1cccc2 34a_100000212247_100009813939 [0,2,0,0,0,0|1,0,0]=3 6397 B16R2.6 CCC#CCOC1CCc2c1cccc2 7a_100000212247_100009813939 [0,2,0,0,0,0|1,0,0]=3 6398 B16R2.6 CCC#CCSC1CCc2c1cccc2 62a_100009813939_200000721974 [0,2,0,0,0,0|1,0,0]=3 6399 B16R2.6 CCCCCNC1CCc2c1cccc2 2230a_100000209983_200000721974 [0,2,0,0,0,0|0,0,2]=4 6400 B16R2.6 CCCCCNC1CCc2c1cccc2 269862a_100000209983_100000212051 [0,2,0,0,0,0|0,0,2]=4 6401 B16R2.6 CCCCCN[C@H]1CCc2c1cccc2 2230a_100016989578_100000210326 [0,2,0,0,0,0|0,0,2]=4 6402 B16R2.6 CCCCCN[C@H]1CCc2c1cccc2 34a_100016989578_100000718602 [0,2,0,0,0,0|0,0,2]=4 6403 B16R2.6 CCCCNCC1CCc2c1cccc2 2230a_100020632452_100000210211 [0,2,0,0,0,0|0,0,2]=4 6404 B16R2.6 CCCCNCC1CCc2c1cccc2 34a_100020632452_100000210210 [0,2,0,0,0,0|0,0,2]=4 6405 B16R2.6 CCOCCNC1CCc2c1cccc2 2230a_102516460346_200000721974 [0,2,0,0,0,0|0,0,2]=4 6406 B16R2.6 CCOCCNC1CCc2c1cccc2 269862a_100011200944_100000212051 [0,2,0,0,0,0|0,0,2]=4 6407 B16R2.6 CCOCCN[C@H]1CCc2c1cccc2 2230a_100016989578_100011215890 [0,2,0,0,0,0|0,0,2]=4 6408 B16R2.6 CCOCCN[C@H]1CCc2c1cccc2 34a_100016989578_100000210147 [0,2,0,0,0,0|0,0,2]=4 6409 B16R2.6 CCSCCNC1CCc2c1cccc2 2230a_100000106463_200000721974 [0,2,0,0,0,0|0,0,2]=4 6410 B16R2.6 CCSCCNC1CCc2c1cccc2 269862a_100000106463_100000212051 [0,2,0,0,0,0|0,0,2]=4 6411 B16R2.6 CCSCCN[C@H]1CCc2c1cccc2 2230a_100016989578_100000757381 [0,2,0,0,0,0|0,0,2]=4 6412 B16R2.6 CCSCCN[C@H]1CCc2c1cccc2 34a_100016989578_100000757381 [0,2,0,0,0,0|0,0,2]=4 6413 B16R2.6 COCCCNC1CCc2c1cccc2 269862a_100150723488_100000212051 [0,2,0,0,0,0|0,0,2]=4 6414 B16R2.6 COCCCN[C@H]1CCc2c1cccc2 2230a_100016989578_100000740836 [0,2,0,0,0,0|0,0,2]=4 6415 B16R2.6 COCCCN[C@H]1CCc2c1cccc2 34a_100016989578_100000740836 [0,2,0,0,0,0|0,0,2]=4 6416 B16R2.6 COCCNCC1CCc2c1cccc2 2230a_100020632452_100011201679 [0,2,0,0,0,0|0,0,2]=4 6417 B16R2.6 COCCNCC1CCc2c1cccc2 34a_100020632452_100011201679 [0,2,0,0,0,0|0,0,2]=4 6418 B16R2.6 CSCCCNC1CCc2c1cccc2 2230a_100000749238_200000721974 [0,2,0,0,0,0|0,0,2]=4 6419 B16R2.6 CSCCCNC1CCc2c1cccc2 269862a_100000749238_100000212051 [0,2,0,0,0,0|0,0,2]=4 6420 B16R2.6 CSCCNCC1CCc2c1cccc2 2230a_100020632452_100000751147 [0,2,0,0,0,0|0,0,2]=4 6421 B16R2.6 CSCCNCC1CCc2c1cccc2 34a_100020632452_100000212216 [0,2,0,0,0,0|0,0,2]=4 6422 B16R2.6 FCCCCN[C@H]1CCc2c1cccc2 2230a_100016989578_100000729493 [0,2,0,0,0,0|0,0,2]=4 6423 B16R2.6 FCCCCN[C@H]1CCc2c1cccc2 34a_100016989578_100000729493 [0,2,0,0,0,0|0,0,2]=4 6424 B16R2.6 FCCCNCC1CCc2c1cccc2 2230a_100020632452_100011934791 [0,2,0,0,0,0|0,0,2]=4 6425 B16R2.6 FCCCNCC1CCc2c1cccc2 34a_100020632452_100011934791 [0,2,0,0,0,0|0,0,2]=4 6426 B16R2.6 N#CCCCNC1COc2c1cccc2 2230a_100000747519_100000687738 [0,2,0,0,0,0|1,0,1]=4 6427 B16R2.6 N#CCCCN[C@H]1CCc2c1cccc2 2230a_100016989578_100000687738 [0,2,0,0,0,0|0,0,1]=3 6428 B16R2.6 N#CCCCOC1CCc2c1cccc2 7a_100000212247_100000687738 [0,2,0,0,0,0|1,0,1]=4 6429 B16R2.6 N#CCCCSC1CCc2c1cccc2 62a_100000687738_200000721974 [0,2,0,0,0,0|1,0,1]=4 6430 B16R2.6 N#CCCNCC1CCc2c1cccc2 2230a_100020632452_100011215226 [0,2,0,0,0,0|0,0,1]=3 6431 B16R2.6 N#CCCNN=C1CCc2c1cccc2 4a_100000229987_100000212051 [0,2,0,0,0,0|0,0,2]=4 6432 B16R2.6 N#CCNCCN1CCc2c1cccc2 2230a_100000741946_100011215382 [0,2,0,0,0,0|2,0,0]=4 6433 B16R2.6 N#CSCCSC1CCc2c1cccc2 62a_100000034367_200000721974 [0,2,0,0,0,0|1,0,1]=4 6434 B16R2.6 O=CCCCN[C@H]1CCc2c1cccc2 2230a_100016989578_200011292268 [0,2,0,0,0,0|0,0,2]=4 6435 B16R2.6 OCC#CCNC1COc2c1cccc2 2230a_100000747519_200000047223 [0,2,0,0,0,0|1,0,0]=3 6436 B16R2.6 OCC#CCN[C@H]1CCc2c1cccc2 2230a_100016989578_200000047223 [0,2,0,0,0,0|0,0,0]=2 6437 B16R2.6 OCC#CCN[C@H]1CCc2c1cccc2 34a_100016989578_200000047223 [0,2,0,0,0,0|0,0,0]=2 6438 B16R2.6 OCC#CCOC1CCc2c1cccc2 34a_100000212247_200000047223 [0,2,0,0,0,0|1,0,0]=3 6439 B16R2.6 OCC#CCOC1CCc2c1cccc2 7a_100000212247_200000047223 [0,2,0,0,0,0|1,0,0]=3 6440 B16R2.6 OCC#CCSC1CCc2c1cccc2 62a_200000047223_200000721974 [0,2,0,0,0,0|1,0,0]=3 6441 B16R2.6 OCCCCNC1CCc2c1cccc2 2230a_100000750430_200000721974 [0,2,0,0,0,0|0,0,2]=4 6442 B16R2.6 OCCCCNC1CCc2c1cccc2 269862a_100000750430_100000212051 [0,2,0,0,0,0|0,0,2]=4 6443 B16R2.6 OCCCCN[C@H]1CCc2c1cccc2 2230a_100016989578_100000210776 [0,2,0,0,0,0|0,0,2]=4 6444 B16R2.6 OCCCCN[C@H]1CCc2c1cccc2 34a_100016989578_100011216708 [0,2,0,0,0,0|0,0,2]=4 6445 B16R2.6 OCCCNCC1CCc2c1cccc2 2230a_100020632452_100000230001 [0,2,0,0,0,0|0,0,2]=4 6446 B16R2.6 OCCCNCC1CCc2c1cccc2 34a_100020632452_100000230001 [0,2,0,0,0,0|0,0,2]=4 6447 B16R2.14 C#CC(C)NCC1CCc2c1cccc2 34a_100020632452_200000035995 [0,2,0,0,0,0|0,0,0]=2 6448 B16R2.14 C=C(C#N)CNC1COc2c1cccc2 2230a_100000747519_100000694840 [0,2,0,0,0,0|1,0,1]=4 6449 B16R2.14 C=C(C#N)CN[C@H]1CCc2c1cccc2 2230a_100016989578_100000694840 [0,2,0,0,0,0|0,0,1]=3 6450 B16R2.14 C=C(C#N)CN[C@H]1CCc2c1cccc2 34a_100016989578_100000694840 [0,2,0,0,0,0|0,0,1]=3 6451 B16R2.14 C=C(C#N)COC1CCc2c1cccc2 34a_100000212247_100000694840 [0,2,0,0,0,0|1,0,1]=4 6452 B16R2.14 C=CC(O)CN[C@H]1CCc2c1cccc2 2230a_100016989578_100000730141 [0,2,0,0,0,0|0,0,2]=4 6453 B16R2.14 C=CC(O)CN[C@H]1CCc2c1cccc2 34a_100016989578_100000730141 [0,2,0,0,0,0|0,0,2]=4 6454 B16R2.14 CC(C#N)NCC1CCc2c1cccc2 2230a_100020632452_100000184139 [0,2,0,0,0,0|1,0,0]=3 6455 B16R2.14 CC(CO)CNC1CCc2c1cccc2 269862a_100000744482_100000212051 [0,2,0,0,0,0|0,0,2]=4 6456 B16R2.14 CC(CO)NCC1CCc2c1cccc2 2230a_100020632452_100012180447 [0,2,0,0,0,0|1,0,1]=4 6457 B16R2.14 CC(CO)NCC1CCc2c1cccc2 34a_100020632452_100012180447 [0,2,0,0,0,0|1,0,1]=4 6458 B16R2.14 CCC(C)CNC1CCc2c1cccc2 2230a_100020588543_200000721974 [0,2,0,0,0,0|0,0,2]=4 6459 B16R2.14 CCC(C)CNC1CCc2c1cccc2 269862a_100020588543_100000212051 [0,2,0,0,0,0|0,0,2]=4 6460 B16R2.14 CCC(C)CN[C@H]1CCc2c1cccc2 2230a_100016989578_100000748023 [0,2,0,0,0,0|0,0,2]=4 6461 B16R2.14 CCC(C)CN[C@H]1CCc2c1cccc2 270004a_100016989578_100000243153 [0,2,0,0,0,0|0,0,2]=4 6462 B16R2.14 CCC(C)CN[C@H]1CCc2c1cccc2 34a_100016989578_100000748023 [0,2,0,0,0,0|0,0,2]=4 6463 B16R2.14 CCC(C)NCC1CCc2c1cccc2 2230a_100020632452_100000758301 [0,2,0,0,0,0|0,0,2]=4 6464 B16R2.14 CCC(C)NCC1CCc2c1cccc2 34a_100020632452_100011215416 [0,2,0,0,0,0|0,0,2]=4 6465 B16R2.14 CCC(O)CNC1CCc2c1cccc2 2230a_100011218483_200000721974 [0,2,0,0,0,0|0,0,2]=4 6466 B16R2.14 CCC(O)CNC1CCc2c1cccc2 269862a_100011218483_100000212051 [0,2,0,0,0,0|0,0,2]=4 6467 B16R2.14 CCC(O)CN[C@H]1CCc2c1cccc2 2230a_100016989578_100011218378 [0,2,0,0,0,0|0,0,2]=4 6468 B16R2.14 CCC(O)CN[C@H]1CCc2c1cccc2 34a_100016989578_100011218378 [0,2,0,0,0,0|0,0,2]=4 6469 B16R2.14 CC[C@H](C)CN[C@H]1CCc2c1cccc2 2230a_100016989578_100009816398 [0,2,0,0,0,0|0,0,2]=4 6470 B16R2.14 CC[C@H](C)CN[C@H]1CCc2c1cccc2 34a_100016989578_100009816398 [0,2,0,0,0,0|0,0,2]=4 6471 B16R2.14 CNC(=O)CNC1CCc2c1cccc2 2230a_100000693194_200000721974 [0,2,0,0,0,0|0,0,2]=4 6472 B16R2.14 CNC(=O)CNC1CCc2c1cccc2 269862a_100000693194_100000212051 [0,2,0,0,0,0|0,0,2]=4 6473 B16R2.14 CNC(=O)CN[C@H]1CCc2c1cccc2 2230a_100016989578_100000183359 [0,2,0,0,0,0|0,0,2]=4 6474 B16R2.14 CNC(=O)CN[C@H]1CCc2c1cccc2 34a_100016989578_100000183359 [0,2,0,0,0,0|0,0,2]=4 6475 B16R2.14 COC(=O)CN[C@H]1CCc2c1cccc2 2230a_100016989578_100000747449 [0,2,0,0,0,0|0,0,2]=4 6476 B16R2.14 COC(=O)CN[C@H]1CCc2c1cccc2 34a_100016989578_100000747449 [0,2,0,0,0,0|0,0,2]=4 6477 B16R2.14 CO[C@H](C)CNC1CCc2c1cccc2 2230a_100020591295_200000721974 [0,2,0,0,0,0|0,0,2]=4 6478 B16R2.14 CO[C@H](C)CNC1CCc2c1cccc2 269862a_100020591295_100000212051 [0,2,0,0,0,0|0,0,2]=4 6479 B16R2.14 C[C@@H](CO)CN[C@H]1CCc2c1cccc2 2230a_100016989578_100000059175 [0,2,0,0,0,0|0,0,2]=4 6480 B16R2.14 C[C@@H](CO)CN[C@H]1CCc2c1cccc2 34a_100016989578_100000059175 [0,2,0,0,0,0|0,0,2]=4 6481 B16R2.14 OCC(O)CN[C@H]1CCc2c1cccc2 2230a_100016989578_100011219619 [0,2,0,0,0,0|0,0,2]=4 6482 B16R2.14 OCC(O)CN[C@H]1CCc2c1cccc2 34a_100016989578_100011219619 [0,2,0,0,0,0|0,0,2]=4 6483 B16R2.14 OC[C@@H](O)CNC1CCc2c1cccc2 2230a_100020644852_200000721974 [0,2,0,0,0,0|0,0,2]=4 6484 B16R2.14 OC[C@@H](O)CNC1CCc2c1cccc2 269862a_100020644852_100000212051 [0,2,0,0,0,0|0,0,2]=4 6485 B16R2.14 OC[C@H](F)CNC1CCc2c1cccc2 269862a_100015665980_100000212051 [0,2,0,0,0,0|0,0,2]=4 6486 B16R2.14 OC[C@H](O)CN[C@H]1CCc2c1cccc2 2230a_100016989578_100009815848 [0,2,0,0,0,0|0,0,2]=4 6487 B16R2.14 OC[C@H](O)CN[C@H]1CCc2c1cccc2 34a_100016989578_100009815848 [0,2,0,0,0,0|0,0,2]=4 6488 B16R2.14 O[C@@H](CF)CN[C@H]1CCc2c1cccc2 2230a_100016989578_100015614560 [0,2,0,0,0,0|0,0,2]=4 6489 B16R2.14 O[C@@H](CF)CN[C@H]1CCc2c1cccc2 34a_100016989578_100015614560 [0,2,0,0,0,0|0,0,2]=4 6490 B16R2.36 C=C(C)CCN[C@H]1CCc2c1cccc2 2230a_100016989578_100000730704 [0,2,0,0,0,0|0,0,2]=4 6491 B16R2.36 C=C(C)CCN[C@H]1CCc2c1cccc2 34a_100016989578_100000730704 [0,2,0,0,0,0|0,0,2]=4 6492 B16R2.36 C=C(C)CNCC1CCc2c1cccc2 2230a_100020632452_100000748629 [0,2,0,0,0,0|0,0,2]=4 6493 B16R2.36 C=C(C)CNCC1CCc2c1cccc2 34a_100020632452_100000748629 [0,2,0,0,0,0|0,0,2]=4 6494 B16R2.36 C=C(F)CNCC1CCc2c1cccc2 2230a_100020632452_100009893438 [0,2,0,0,0,0|0,0,2]=4 6495 B16R2.36 C=C(F)CNCC1CCc2c1cccc2 34a_100020632452_100009893438 [0,2,0,0,0,0|0,0,2]=4 6496 B16R2.36 CC(=CCN[C@H]1CCc2c1cccc2)C 2230a_100016989578_100000761012 [0,2,0,0,0,0|0,0,2]=4 6497 B16R2.36 CC(=CCN[C@H]1CCc2c1cccc2)C 34a_100016989578_100000761012 [0,2,0,0,0,0|0,0,2]=4 6498 B16R2.36 CC(=O)OCN[C@H]1CCc2c1cccc2 34a_100016989578_100009813279 [0,2,0,0,0,0|0,0,2]=4 6499 B16R2.36 CC(C)CCNC1CCc2c1cccc2 269862a_100000210545_100000212051 [0,2,0,0,0,0|0,0,2]=4 6500 B16R2.36 CC(C)CCN[C@H]1CCc2c1cccc2 2230a_100016989578_100000210312 [0,2,0,0,0,0|0,0,2]=4 6501 B16R2.36 CC(C)CCN[C@H]1CCc2c1cccc2 269862a_100016989578_100000185833 [0,2,0,0,0,0|0,0,2]=4 6502 B16R2.36 CC(C)CCN[C@H]1CCc2c1cccc2 34a_100016989578_100000210312 [0,2,0,0,0,0|0,0,2]=4 6503 B16R2.36 CC(C)CNCC1CCc2c1cccc2 2230a_100020632452_100000210760 [0,2,0,0,0,0|0,0,2]=4 6504 B16R2.36 CC(C)CNCC1CCc2c1cccc2 270004a_100020632452_100000210432 [0,2,0,0,0,0|0,0,2]=4 6505 B16R2.36 CC(C)CNCC1CCc2c1cccc2 34a_100020632452_100000210624 [0,2,0,0,0,0|0,0,2]=4 6506 B16R2.36 CC(C)OCN[C@H]1CCc2c1cccc2 2230a_100016989578_100000709892 [0,2,0,0,0,0|0,0,2]=4 6507 B16R2.36 CC(C)OCN[C@H]1CCc2c1cccc2 34a_100016989578_100000709892 [0,2,0,0,0,0|0,0,2]=4 6508 B16R2.36 CC(O)CCNC1CCc2c1cccc2 2230a_200000755665_200000721974 [0,2,0,0,0,0|0,0,2]=4 6509 B16R2.36 CC(O)CCNC1CCc2c1cccc2 269862a_200000755665_100000212051 [0,2,0,0,0,0|0,0,2]=4 6510 B16R2.36 CC(O)CCN[C@H]1CCc2c1cccc2 2230a_100016989578_100012276601 [0,2,0,0,0,0|0,0,2]=4 6511 B16R2.36 CC(O)CCN[C@H]1CCc2c1cccc2 34a_100016989578_100012276601 [0,2,0,0,0,0|0,0,2]=4 6512 B16R2.36 CC(O)CNCC1CCc2c1cccc2 2230a_100020632452_100011218427 [0,2,0,0,0,0|0,0,2]=4 6513 B16R2.36 CC(O)CNCC1CCc2c1cccc2 34a_100020632452_100011218427 [0,2,0,0,0,0|0,0,2]=4 6514 B16R2.36 CN(C)CCNC1CCc2c1cccc2 269862a_100000210585_100000212051 [0,2,0,0,0,0|0,0,2]=4 6515 B16R2.36 C[C@@H](O)CNCC1CCc2c1cccc2 2230a_100020632452_100009817552 [0,2,0,0,0,0|0,0,2]=4 6516 B16R2.36 C[C@@H](O)CNCC1CCc2c1cccc2 34a_100020632452_100009817552 [0,2,0,0,0,0|0,0,2]=4 6517 B16R2.36 FC(F)CNCC1CCc2c1cccc2 2230a_100020632452_100011934356 [0,2,0,0,0,0|1,0,1]=4 6518 B16R2.36 FC(F)CNCC1CCc2c1cccc2 34a_100020632452_100011934356 [0,2,0,0,0,0|1,0,1]=4 6519 B16R2.36 NC(=O)CCNC1CCc2c1cccc2 269862a_100000740010_100000212051 [0,2,0,0,0,0|0,0,2]=4 6520 B16R2.36 NC(=O)CCN[C@H]1CCc2c1cccc2 2230a_100016989578_100000744528 [0,2,0,0,0,0|0,0,2]=4 6521 B16R2.36 NC(=O)CCN[C@H]1CCc2c1cccc2 34a_100016989578_100000731001 [0,2,0,0,0,0|0,0,2]=4 6522 B16R2.36 NC(=O)CNCC1CCc2c1cccc2 2230a_100020632452_100000747473 [0,2,0,0,0,0|1,0,1]=4 6523 B16R2.36 NC(=O)CNCC1CCc2c1cccc2 34a_100020632452_100000187820 [0,2,0,0,0,0|1,0,1]=4 6524 B16R2.36 O=C(O)CONC1CCc2c1cccc2 269956a_100000106656_200000721974 [0,2,0,0,0,0|1,0,1]=4 6525 B16R2.36 O=C([O-])CNCC1CCc2c1cccc2 34a_100020632452_100020667443 [0,2,0,0,0,0|1,0,1]=4 6526 B16R2.36 O=[N+]([O-])CNCC1CCc2c1cccc2 34a_100020632452_100000761209 [0,2,0,0,0,0|2,0,0]=4 6527 B16R2.37 C#CCCC(=O)C1CCc2c1cccc2 1458a_100000750891_100000753159 [0,2,0,0,0,0|1,0,0]=3 6528 B16R2.37 C#CCNC(=O)C1=CCc2c1cccc2 11a_100000212058_100000037392 [0,2,0,0,0,0|0,0,2]=4 6529 B16R2.37 C#CCNC(=O)C1=CCc2c1cccc2 1626a_100000212058_100000037392 [0,2,0,0,0,0|0,0,2]=4 6530 B16R2.37 C#CCNC(=O)C1=CCc2c1cccc2 240690a_100000212058_100000037392 [0,2,0,0,0,0|0,0,2]=4 6531 B16R2.37 C#CCNC(=O)C1C=Cc2c1cccc2 1626a_100000212058_200009832160 [0,2,0,0,0,0|0,0,2]=4 6532 B16R2.37 C#CCNC(=O)C1C=Cc2c1cccc2 240690a_100000212058_200009832160 [0,2,0,0,0,0|0,0,2]=4 6533 B16R2.37 C#CCNC(=O)C1C=Cc2c1cccc2 527a_100000212058_200009832160 [0,2,0,0,0,0|0,0,2]=4 6534 B16R2.37 C#CCNC(=O)C1CCc2c1cccc2 11a_100000212058_100000750891 [0,2,0,0,0,0|0,0,0]=2 6535 B16R2.37 C#CCNC(=O)C1CCc2c1cccc2 1626a_100000212058_100000750891 [0,2,0,0,0,0|0,0,0]=2 6536 B16R2.37 C#CCNC(=O)C1CCc2c1cccc2 240690a_100000212058_100000750891 [0,2,0,0,0,0|0,0,0]=2 6537 B16R2.37 C#CCNC(=O)C1CCc2c1cccc2 527a_100000212058_100000750891 [0,2,0,0,0,0|0,0,0]=2 6538 B16R2.37 C=CCCN(C)C1CCc2c1cccc2 2230a_100020639649_200000721974 [0,2,0,0,0,0|0,0,2]=4 6539 B16R2.37 C=CCCN(C)C1CCc2c1cccc2 269982a_100020639649_200000721974 [0,2,0,0,0,0|0,0,2]=4 6540 B16R2.37 C=CCNC(=O)C1CCc2c1cccc2 1626a_100020586998_100000750891 [0,2,0,0,0,0|0,0,2]=4 6541 B16R2.37 C=CCNC(=O)C1CCc2c1cccc2 240690a_100020586998_100000750891 [0,2,0,0,0,0|0,0,2]=4 6542 B16R2.37 C=CCNC(=O)C1CCc2c1cccc2 527a_100020586998_100000750891 [0,2,0,0,0,0|0,0,2]=4 6543 B16R2.37 CC#CCC(=O)C1CCc2c1cccc2 1458a_100000750891_100000748600 [0,2,0,0,0,0|1,0,0]=3 6544 B16R2.37 CCCCN(C)C1CCc2c1cccc2 2230a_100000207549_200000721974 [0,2,0,0,0,0|0,0,2]=4 6545 B16R2.37 CCCCN(C)C1CCc2c1cccc2 269982a_100000207549_200000721974 [0,2,0,0,0,0|0,0,2]=4 6546 B16R2.37 CCCNC(=O)C1CCc2c1cccc2 11a_100020643023_100000750891 [0,2,0,0,0,0|0,0,2]=4 6547 B16R2.37 CCCNC(=O)C1CCc2c1cccc2 1626a_100020643023_100000750891 [0,2,0,0,0,0|0,0,2]=4 6548 B16R2.37 CCCNC(=O)C1CCc2c1cccc2 240690a_100020643023_100000750891 [0,2,0,0,0,0|0,0,2]=4 6549 B16R2.37 CCCNC(=O)C1CCc2c1cccc2 527a_100020643023_100000750891 [0,2,0,0,0,0|0,0,2]=4 6550 B16R2.37 CN(CCC#N)C1CCc2c1cccc2 2230a_100000184479_200000721974 [0,2,0,0,0,0|0,0,1]=3 6551 B16R2.37 CN(CCCO)C1CCc2c1cccc2 2230a_100000213112_200000721974 [0,2,0,0,0,0|0,0,2]=4 6552 B16R2.37 CN(CCCO)C1CCc2c1cccc2 269982a_100000213112_200000721974 [0,2,0,0,0,0|0,0,2]=4 6553 B16R2.37 COCCN(C)C1CCc2c1cccc2 2230a_100000743101_200000721974 [0,2,0,0,0,0|0,0,2]=4 6554 B16R2.37 COCCN(C)C1CCc2c1cccc2 269982a_100000743101_200000721974 [0,2,0,0,0,0|0,0,2]=4 6555 B16R2.37 CSCCN(C)C1CCc2c1cccc2 2230a_100000686725_200000721974 [0,2,0,0,0,0|0,0,2]=4 6556 B16R2.37 CSCCN(C)C1CCc2c1cccc2 269982a_100000686725_200000721974 [0,2,0,0,0,0|0,0,2]=4 6557 B16R2.37 N#CCCC(=O)C1CCc2c1cccc2 1458a_100000750891_100011215226 [0,2,0,0,0,0|1,0,1]=4 6558 B16R2.37 N#CCNC(=O)C1CCc2c1cccc2 1626a_100000734998_100000750891 [0,2,0,0,0,0|1,0,0]=3 6559 B16R2.37 N#CCNC(=O)C1CCc2c1cccc2 527a_100000734998_100000750891 [0,2,0,0,0,0|1,0,0]=3 6560 B16R2.37 O=C(NCCF)C1CCc2c1cccc2 11a_100000724931_100000750891 [0,2,0,0,0,0|1,0,1]=4 6561 B16R2.37 O=C(NCCF)C1CCc2c1cccc2 1626a_100000724931_100000750891 [0,2,0,0,0,0|1,0,1]=4 6562 B16R2.37 O=C(NCCF)C1CCc2c1cccc2 240690a_100000724931_100000750891 [0,2,0,0,0,0|1,0,1]=4 6563 B16R2.37 O=C(NCCF)C1CCc2c1cccc2 527a_100000724931_100000750891 [0,2,0,0,0,0|1,0,1]=4 6564 B16R2.37 O=C(NCCO)C1CCc2c1cccc2 240690a_100000210304_100000750891 [0,2,0,0,0,0|1,0,1]=4 6565 B16R2.37 O=C(NCCO)C1CCc2c1cccc2 527a_100000210304_100000750891 [0,2,0,0,0,0|1,0,1]=4 6566 B16R2.149 C#CCCNC1CCc2c1cccc2Br 2230a_100000751068_100000688953 [0,2,0,0,0,0|0,0,0]=2 6567 B16R2.149 C#CCCNC1CCc2c1cccc2Br 34a_100000751068_100000688953 [0,2,0,0,0,0|0,0,0]=2 6568 B16R2.149 C#CCCNC1CCc2c1cccc2Cl 2230a_100000743989_100000688953 [0,2,0,0,0,0|0,0,0]=2 6569 B16R2.149 C#CCCNC1CCc2c1cccc2Cl 34a_100000743989_100000688953 [0,2,0,0,0,0|0,0,0]=2 6570 B16R2.149 C#CCCNC1COc2c1cccc2Br 2230a_100025715106_100000688953 [0,2,0,0,0,0|1,0,0]=3 6571 B16R2.149 C#CCCNC1COc2c1cccc2F 2230a_200011230594_100000688953 [0,2,0,0,0,0|1,0,0]=3 6572 B16R2.149 C#CCCNC1COc2c1cccc2F 34a_200011230594_100000688953 [0,2,0,0,0,0|1,0,0]=3 6573 B16R2.149 C#CCCN[C@H]1CCc2c1cccc2C 2230a_100134618347_100000688953 [0,2,0,0,0,0|0,0,0]=2 6574 B16R2.149 C#CCCN[C@H]1CCc2c1cccc2C 34a_100134618347_100000688953 [0,2,0,0,0,0|0,0,0]=2 6575 B16R2.149 C#CCCN[C@H]1CCc2c1cccc2F 2230a_100015193782_100000688953 [0,2,0,0,0,0|0,0,0]=2 6576 B16R2.149 C#CCCN[C@H]1CCc2c1cccc2F 34a_100015193782_100000688953 [0,2,0,0,0,0|0,0,0]=2 6577 B16R2.149 C#CCCN[C@H]1CCc2c1cccc2O 2230a_100134616730_100000688953 [0,2,0,0,0,0|0,0,0]=2 6578 B16R2.149 C#CCCN[C@H]1CCc2c1cccc2O 34a_100134616730_100000688953 [0,2,0,0,0,0|0,0,0]=2 6579 B16R2.149 C#CCCN[C@H]1COc2c1cccc2Cl 2230a_100102463758_100000688953 [0,2,0,0,0,0|1,0,0]=3 6580 B16R2.149 C#CCCN[C@H]1COc2c1cccc2Cl 34a_100102463758_100000688953 [0,2,0,0,0,0|1,0,0]=3 6581 B16R2.149 C#CCCOC1CCc2c1cccc2C 34a_100011467954_100000688953 [0,2,0,0,0,0|1,0,0]=3 6582 B16R2.149 C#CCCOC1CCc2c1cccc2C 7a_100011467954_100000688953 [0,2,0,0,0,0|1,0,0]=3 6583 B16R2.149 C#CCCOC1CCc2c1nccc2Cl 7a_100009868430_100000688953 [0,2,0,0,0,0|2,0,0]=4 6584 B16R2.149 C#CCCO[C@H]1CCc2c1cccc2Br 34a_100010080924_100000688953 [0,2,0,0,0,0|1,0,0]=3 6585 B16R2.149 C#CCCO[C@H]1CCc2c1cccc2Br 7a_100010080924_100000688953 [0,2,0,0,0,0|1,0,0]=3 6586 B16R2.149 C/C=C/CNC1CCc2c1cccc2Br 34a_100000751068_100102629194 [0,2,0,0,0,0|0,0,2]=4 6587 B16R2.149 C/C=C/CNC1CCc2c1cccc2Cl 34a_100000743989_100102629194 [0,2,0,0,0,0|0,0,2]=4 6588 B16R2.149 C/C=C/CN[C@H]1CCc2c1cccc2C 34a_100134618347_100102629194 [0,2,0,0,0,0|0,0,2]=4 6589 B16R2.149 C/C=C/CN[C@H]1CCc2c1cccc2F 34a_100015193782_100102629194 [0,2,0,0,0,0|0,0,2]=4 6590 B16R2.149 C/C=C/CN[C@H]1CCc2c1cccc2O 34a_100134616730_100102629194 [0,2,0,0,0,0|0,0,2]=4 6591 B16R2.149 C=CCCNC1CCc2c1cccc2Br 2230a_100000751068_100000754431 [0,2,0,0,0,0|0,0,2]=4 6592 B16R2.149 C=CCCNC1CCc2c1cccc2Br 269862a_100015191253_100000744605 [0,2,0,0,0,0|0,0,2]=4 6593 B16R2.149 C=CCCNC1CCc2c1cccc2Br 34a_100000751068_100000754431 [0,2,0,0,0,0|0,0,2]=4 6594 B16R2.149 C=CCCNC1CCc2c1cccc2C 269862a_100015191253_100000752022 [0,2,0,0,0,0|0,0,2]=4 6595 B16R2.149 C=CCCNC1CCc2c1cccc2Cl 2230a_100000743989_100000754431 [0,2,0,0,0,0|0,0,2]=4 6596 B16R2.149 C=CCCNC1CCc2c1cccc2Cl 269862a_100015191253_100000743251 [0,2,0,0,0,0|0,0,2]=4 6597 B16R2.149 C=CCCNC1CCc2c1cccc2Cl 34a_100000743989_100000754431 [0,2,0,0,0,0|0,0,2]=4 6598 B16R2.149 C=CCCNC1CCc2c1cccc2F 269862a_100015191253_100000743250 [0,2,0,0,0,0|0,0,2]=4 6599 B16R2.149 C=CCCNC1CCc2c1cccc2I 269862a_100015191253_100000049675 [0,2,0,0,0,0|0,0,2]=4 6600 B16R2.149 C=CCCN[C@H]1CCc2c1cccc2C 2230a_100134618347_100000754431 [0,2,0,0,0,0|0,0,2]=4 6601 B16R2.149 C=CCCN[C@H]1CCc2c1cccc2C 34a_100134618347_100000754431 [0,2,0,0,0,0|0,0,2]=4 6602 B16R2.149 C=CCCN[C@H]1CCc2c1cccc2F 2230a_100015193782_100000754431 [0,2,0,0,0,0|0,0,2]=4 6603 B16R2.149 C=CCCN[C@H]1CCc2c1cccc2F 34a_100015193782_100000754431 [0,2,0,0,0,0|0,0,2]=4 6604 B16R2.149 C=CCCN[C@H]1CCc2c1cccc2O 2230a_100134616730_100000754431 [0,2,0,0,0,0|0,0,2]=4 6605 B16R2.149 C=CCCN[C@H]1CCc2c1cccc2O 34a_100134616730_100000754431 [0,2,0,0,0,0|0,0,2]=4 6606 B16R2.149 CC#CCNC1CCc2c1cccc2Br 2230a_100000751068_100000748600 [0,2,0,0,0,0|0,0,0]=2 6607 B16R2.149 CC#CCNC1CCc2c1cccc2Br 34a_100000751068_100000748600 [0,2,0,0,0,0|0,0,0]=2 6608 B16R2.149 CC#CCNC1CCc2c1cccc2Cl 2230a_100000743989_100000748600 [0,2,0,0,0,0|0,0,0]=2 6609 B16R2.149 CC#CCNC1CCc2c1cccc2Cl 34a_100000743989_100000748600 [0,2,0,0,0,0|0,0,0]=2 6610 B16R2.149 CC#CCNC1COc2c1cccc2Br 2230a_100025715106_100000748600 [0,2,0,0,0,0|1,0,0]=3 6611 B16R2.149 CC#CCNC1COc2c1cccc2F 2230a_200011230594_100000748600 [0,2,0,0,0,0|1,0,0]=3 6612 B16R2.149 CC#CCNC1COc2c1cccc2F 34a_200011230594_100000748600 [0,2,0,0,0,0|1,0,0]=3 6613 B16R2.149 CC#CCN[C@H]1CCc2c1cccc2C 2230a_100134618347_100000748600 [0,2,0,0,0,0|0,0,0]=2 6614 B16R2.149 CC#CCN[C@H]1CCc2c1cccc2C 34a_100134618347_100000748600 [0,2,0,0,0,0|0,0,0]=2 6615 B16R2.149 CC#CCN[C@H]1CCc2c1cccc2F 2230a_100015193782_100000748600 [0,2,0,0,0,0|0,0,0]=2 6616 B16R2.149 CC#CCN[C@H]1CCc2c1cccc2F 34a_100015193782_100000748600 [0,2,0,0,0,0|0,0,0]=2 6617 B16R2.149 CC#CCN[C@H]1CCc2c1cccc2O 2230a_100134616730_100000748600 [0,2,0,0,0,0|0,0,0]=2 6618 B16R2.149 CC#CCN[C@H]1CCc2c1cccc2O 34a_100134616730_100000748600 [0,2,0,0,0,0|0,0,0]=2 6619 B16R2.149 CC#CCN[C@H]1COc2c1cccc2Cl 2230a_100102463758_100000748600 [0,2,0,0,0,0|1,0,0]=3 6620 B16R2.149 CC#CCN[C@H]1COc2c1cccc2Cl 34a_100102463758_100000748600 [0,2,0,0,0,0|1,0,0]=3 6621 B16R2.149 CC#CCOC1CCc2c1cccc2C 34a_100011467954_100000748600 [0,2,0,0,0,0|1,0,0]=3 6622 B16R2.149 CC#CCOC1CCc2c1cccc2C 7a_100011467954_100000748600 [0,2,0,0,0,0|1,0,0]=3 6623 B16R2.149 CC#CCOC1CCc2c1nccc2Cl 7a_100009868430_100000748600 [0,2,0,0,0,0|2,0,0]=4 6624 B16R2.149 CC#CCO[C@H]1CCc2c1cccc2Br 34a_100010080924_100000748600 [0,2,0,0,0,0|1,0,0]=3 6625 B16R2.149 CC#CCO[C@H]1CCc2c1cccc2Br 7a_100010080924_100000748600 [0,2,0,0,0,0|1,0,0]=3 6626 B16R2.149 CC=CCNC1CCc2c1cccc2Br 2230a_100000751068_100000070051 [0,2,0,0,0,0|0,0,2]=4 6627 B16R2.149 CC=CCNC1CCc2c1cccc2Br 34a_100000751068_100000070051 [0,2,0,0,0,0|0,0,2]=4 6628 B16R2.149 CC=CCNC1CCc2c1cccc2Cl 2230a_100000743989_100000070051 [0,2,0,0,0,0|0,0,2]=4 6629 B16R2.149 CC=CCNC1CCc2c1cccc2Cl 34a_100000743989_100000070051 [0,2,0,0,0,0|0,0,2]=4 6630 B16R2.149 CC=CCN[C@H]1CCc2c1cccc2C 2230a_100134618347_100000070051 [0,2,0,0,0,0|0,0,2]=4 6631 B16R2.149 CC=CCN[C@H]1CCc2c1cccc2C 34a_100134618347_100000070051 [0,2,0,0,0,0|0,0,2]=4 6632 B16R2.149 CC=CCN[C@H]1CCc2c1cccc2F 2230a_100015193782_100000070051 [0,2,0,0,0,0|0,0,2]=4 6633 B16R2.149 CC=CCN[C@H]1CCc2c1cccc2F 34a_100015193782_100000070051 [0,2,0,0,0,0|0,0,2]=4 6634 B16R2.149 CC=CCN[C@H]1CCc2c1cccc2O 2230a_100134616730_100000070051 [0,2,0,0,0,0|0,0,2]=4 6635 B16R2.149 CC=CCN[C@H]1CCc2c1cccc2O 34a_100134616730_100000070051 [0,2,0,0,0,0|0,0,2]=4 6636 B16R2.149 CCCCNC1CCc2c1cccc2Br 2230a_100000751068_100000210211 [0,2,0,0,0,0|0,0,2]=4 6637 B16R2.149 CCCCNC1CCc2c1cccc2Br 269862a_100000102301_100000744605 [0,2,0,0,0,0|0,0,2]=4 6638 B16R2.149 CCCCNC1CCc2c1cccc2Br 34a_100000751068_100000210210 [0,2,0,0,0,0|0,0,2]=4 6639 B16R2.149 CCCCNC1CCc2c1cccc2C 269862a_100000102301_100000752022 [0,2,0,0,0,0|0,0,2]=4 6640 B16R2.149 CCCCNC1CCc2c1cccc2Cl 2230a_100000743989_100000210211 [0,2,0,0,0,0|0,0,2]=4 6641 B16R2.149 CCCCNC1CCc2c1cccc2Cl 269862a_100000102301_100000743251 [0,2,0,0,0,0|0,0,2]=4 6642 B16R2.149 CCCCNC1CCc2c1cccc2Cl 34a_100000743989_100000210210 [0,2,0,0,0,0|0,0,2]=4 6643 B16R2.149 CCCCNC1CCc2c1cccc2F 269862a_100000102301_100000743250 [0,2,0,0,0,0|0,0,2]=4 6644 B16R2.149 CCCCNC1CCc2c1cccc2I 269862a_100000102301_100000049675 [0,2,0,0,0,0|0,0,2]=4 6645 B16R2.149 CCCCN[C@H]1CCc2c1cccc2C 2230a_100134618347_100000210211 [0,2,0,0,0,0|0,0,2]=4 6646 B16R2.149 CCCCN[C@H]1CCc2c1cccc2C 34a_100134618347_100000210210 [0,2,0,0,0,0|0,0,2]=4 6647 B16R2.149 CCCCN[C@H]1CCc2c1cccc2F 2230a_100015193782_100000210211 [0,2,0,0,0,0|0,0,2]=4 6648 B16R2.149 CCCCN[C@H]1CCc2c1cccc2F 34a_100015193782_100000210210 [0,2,0,0,0,0|0,0,2]=4 6649 B16R2.149 CCCCN[C@H]1CCc2c1cccc2O 2230a_100134616730_100000210211 [0,2,0,0,0,0|0,0,2]=4 6650 B16R2.149 CCCCN[C@H]1CCc2c1cccc2O 34a_100134616730_100000210210 [0,2,0,0,0,0|0,0,2]=4 6651 B16R2.149 COCCNC1CCc2c1cccc2Br 2230a_100000751068_100011201679 [0,2,0,0,0,0|0,0,2]=4 6652 B16R2.149 COCCNC1CCc2c1cccc2Br 269862a_100000209980_100000744605 [0,2,0,0,0,0|0,0,2]=4 6653 B16R2.149 COCCNC1CCc2c1cccc2Br 34a_100000751068_100011201679 [0,2,0,0,0,0|0,0,2]=4 6654 B16R2.149 COCCNC1CCc2c1cccc2C 269862a_100000209980_100000752022 [0,2,0,0,0,0|0,0,2]=4 6655 B16R2.149 COCCNC1CCc2c1cccc2Cl 2230a_100000743989_100011201679 [0,2,0,0,0,0|0,0,2]=4 6656 B16R2.149 COCCNC1CCc2c1cccc2Cl 269862a_100000209980_100000743251 [0,2,0,0,0,0|0,0,2]=4 6657 B16R2.149 COCCNC1CCc2c1cccc2Cl 34a_100000743989_100011201679 [0,2,0,0,0,0|0,0,2]=4 6658 B16R2.149 COCCNC1CCc2c1cccc2F 269862a_100000209980_100000743250 [0,2,0,0,0,0|0,0,2]=4 6659 B16R2.149 COCCNC1CCc2c1cccc2I 269862a_100000209980_100000049675 [0,2,0,0,0,0|0,0,2]=4 6660 B16R2.149 COCCN[C@H]1CCc2c1cccc2C 2230a_100134618347_100011201679 [0,2,0,0,0,0|0,0,2]=4 6661 B16R2.149 COCCN[C@H]1CCc2c1cccc2C 34a_100134618347_100011201679 [0,2,0,0,0,0|0,0,2]=4 6662 B16R2.149 COCCN[C@H]1CCc2c1cccc2F 2230a_100015193782_100011201679 [0,2,0,0,0,0|0,0,2]=4 6663 B16R2.149 COCCN[C@H]1CCc2c1cccc2F 34a_100015193782_100011201679 [0,2,0,0,0,0|0,0,2]=4 6664 B16R2.149 COCCN[C@H]1CCc2c1cccc2O 2230a_100134616730_100011201679 [0,2,0,0,0,0|0,0,2]=4 6665 B16R2.149 COCCN[C@H]1CCc2c1cccc2O 34a_100134616730_100011201679 [0,2,0,0,0,0|0,0,2]=4 6666 B16R2.149 CSCCNC1CCc2c1cccc2Br 2230a_100000751068_100000751147 [0,2,0,0,0,0|0,0,2]=4 6667 B16R2.149 CSCCNC1CCc2c1cccc2Br 269862a_100020590264_100000744605 [0,2,0,0,0,0|0,0,2]=4 6668 B16R2.149 CSCCNC1CCc2c1cccc2Br 34a_100000751068_100000212216 [0,2,0,0,0,0|0,0,2]=4 6669 B16R2.149 CSCCNC1CCc2c1cccc2C 269862a_100020590264_100000752022 [0,2,0,0,0,0|0,0,2]=4 6670 B16R2.149 CSCCNC1CCc2c1cccc2Cl 2230a_100000743989_100000751147 [0,2,0,0,0,0|0,0,2]=4 6671 B16R2.149 CSCCNC1CCc2c1cccc2Cl 269862a_100020590264_100000743251 [0,2,0,0,0,0|0,0,2]=4 6672 B16R2.149 CSCCNC1CCc2c1cccc2Cl 34a_100000743989_100000212216 [0,2,0,0,0,0|0,0,2]=4 6673 B16R2.149 CSCCNC1CCc2c1cccc2F 269862a_100020590264_100000743250 [0,2,0,0,0,0|0,0,2]=4 6674 B16R2.149 CSCCNC1CCc2c1cccc2I 269862a_100020590264_100000049675 [0,2,0,0,0,0|0,0,2]=4 6675 B16R2.149 CSCCN[C@H]1CCc2c1cccc2C 2230a_100134618347_100000751147 [0,2,0,0,0,0|0,0,2]=4 6676 B16R2.149 CSCCN[C@H]1CCc2c1cccc2C 34a_100134618347_100000212216 [0,2,0,0,0,0|0,0,2]=4 6677 B16R2.149 CSCCN[C@H]1CCc2c1cccc2F 2230a_100015193782_100000751147 [0,2,0,0,0,0|0,0,2]=4 6678 B16R2.149 CSCCN[C@H]1CCc2c1cccc2F 34a_100015193782_100000212216 [0,2,0,0,0,0|0,0,2]=4 6679 B16R2.149 CSCCN[C@H]1CCc2c1cccc2O 2230a_100134616730_100000751147 [0,2,0,0,0,0|0,0,2]=4 6680 B16R2.149 CSCCN[C@H]1CCc2c1cccc2O 34a_100134616730_100000212216 [0,2,0,0,0,0|0,0,2]=4 6681 B16R2.149 Cc1cccc2c1CCC2NCCCF 269862a_100015189416_100000752022 [0,2,0,0,0,0|0,0,2]=4 6682 B16R2.149 Cc1cccc2c1CCC2NCCCO 269862a_100000182051_100000752022 [0,2,0,0,0,0|0,0,2]=4 6683 B16R2.149 Cc1cccc2c1CCC2OCCC#N 7a_100011467954_100000184422 [0,2,0,0,0,0|1,0,1]=4 6684 B16R2.149 Cc1cccc2c1CC[C@@H]2NCCC#N 2230a_100134618347_100011215226 [0,2,0,0,0,0|0,0,1]=3 6685 B16R2.149 Cc1cccc2c1CC[C@@H]2NCCCF 2230a_100134618347_100011934791 [0,2,0,0,0,0|0,0,2]=4 6686 B16R2.149 Cc1cccc2c1CC[C@@H]2NCCCF 34a_100134618347_100011934791 [0,2,0,0,0,0|0,0,2]=4 6687 B16R2.149 Cc1cccc2c1CC[C@@H]2NCCCO 2230a_100134618347_100000230001 [0,2,0,0,0,0|0,0,2]=4 6688 B16R2.149 Cc1cccc2c1CC[C@@H]2NCCCO 34a_100134618347_100000230001 [0,2,0,0,0,0|0,0,2]=4 6689 B16R2.149 FCCCNC1CCc2c1cccc2Br 2230a_100000751068_100011934791 [0,2,0,0,0,0|0,0,2]=4 6690 B16R2.149 FCCCNC1CCc2c1cccc2Br 269862a_100015189416_100000744605 [0,2,0,0,0,0|0,0,2]=4 6691 B16R2.149 FCCCNC1CCc2c1cccc2Br 34a_100000751068_100011934791 [0,2,0,0,0,0|0,0,2]=4 6692 B16R2.149 FCCCNC1CCc2c1cccc2Cl 2230a_100000743989_100011934791 [0,2,0,0,0,0|0,0,2]=4 6693 B16R2.149 FCCCNC1CCc2c1cccc2Cl 269862a_100015189416_100000743251 [0,2,0,0,0,0|0,0,2]=4 6694 B16R2.149 FCCCNC1CCc2c1cccc2Cl 34a_100000743989_100011934791 [0,2,0,0,0,0|0,0,2]=4 6695 B16R2.149 FCCCNC1CCc2c1cccc2F 269862a_100015189416_100000743250 [0,2,0,0,0,0|0,0,2]=4 6696 B16R2.149 FCCCNC1CCc2c1cccc2I 269862a_100015189416_100000049675 [0,2,0,0,0,0|0,0,2]=4 6697 B16R2.149 FCCCN[C@H]1CCc2c1cccc2F 2230a_100015193782_100011934791 [0,2,0,0,0,0|0,0,2]=4 6698 B16R2.149 FCCCN[C@H]1CCc2c1cccc2F 34a_100015193782_100011934791 [0,2,0,0,0,0|0,0,2]=4 6699 B16R2.149 N#CCCNC1CCc2c1cccc2Br 2230a_100000751068_100011215226 [0,2,0,0,0,0|0,0,1]=3 6700 B16R2.149 N#CCCNC1CCc2c1cccc2Cl 2230a_100000743989_100011215226 [0,2,0,0,0,0|0,0,1]=3 6701 B16R2.149 N#CCCNC1COc2c1cccc2Br 2230a_100025715106_100011215226 [0,2,0,0,0,0|1,0,1]=4 6702 B16R2.149 N#CCCNC1COc2c1cccc2F 2230a_200011230594_100011215226 [0,2,0,0,0,0|1,0,1]=4 6703 B16R2.149 N#CCCN[C@H]1CCc2c1cccc2F 2230a_100015193782_100011215226 [0,2,0,0,0,0|0,0,1]=3 6704 B16R2.149 N#CCCN[C@H]1CCc2c1cccc2O 2230a_100134616730_100011215226 [0,2,0,0,0,0|0,0,1]=3 6705 B16R2.149 N#CCCN[C@H]1COc2c1cccc2Cl 2230a_100102463758_100011215226 [0,2,0,0,0,0|1,0,1]=4 6706 B16R2.149 N#CCCO[C@H]1CCc2c1cccc2Br 7a_100010080924_100000184422 [0,2,0,0,0,0|1,0,1]=4 6707 B16R2.149 OCCCNC1CCc2c1cccc2Br 2230a_100000751068_100000230001 [0,2,0,0,0,0|0,0,2]=4 6708 B16R2.149 OCCCNC1CCc2c1cccc2Br 269862a_100000182051_100000744605 [0,2,0,0,0,0|0,0,2]=4 6709 B16R2.149 OCCCNC1CCc2c1cccc2Br 34a_100000751068_100000230001 [0,2,0,0,0,0|0,0,2]=4 6710 B16R2.149 OCCCNC1CCc2c1cccc2Cl 2230a_100000743989_100000230001 [0,2,0,0,0,0|0,0,2]=4 6711 B16R2.149 OCCCNC1CCc2c1cccc2Cl 269862a_100000182051_100000743251 [0,2,0,0,0,0|0,0,2]=4 6712 B16R2.149 OCCCNC1CCc2c1cccc2Cl 34a_100000743989_100000230001 [0,2,0,0,0,0|0,0,2]=4 6713 B16R2.149 OCCCNC1CCc2c1cccc2F 269862a_100000182051_100000743250 [0,2,0,0,0,0|0,0,2]=4 6714 B16R2.149 OCCCNC1CCc2c1cccc2I 269862a_100000182051_100000049675 [0,2,0,0,0,0|0,0,2]=4 6715 B16R2.149 OCCCN[C@H]1CCc2c1cccc2F 2230a_100015193782_100000230001 [0,2,0,0,0,0|0,0,2]=4 6716 B16R2.149 OCCCN[C@H]1CCc2c1cccc2F 34a_100015193782_100000230001 [0,2,0,0,0,0|0,0,2]=4 6717 B16R2.149 OCCCN[C@H]1CCc2c1cccc2O 2230a_100134616730_100000230001 [0,2,0,0,0,0|0,0,2]=4 6718 B16R2.149 OCCCN[C@H]1CCc2c1cccc2O 34a_100134616730_100000230001 [0,2,0,0,0,0|0,0,2]=4 6719 B16R2.149 Oc1cccc2c1CC[C@@H]2NCCCF 2230a_100134616730_100011934791 [0,2,0,0,0,0|0,0,2]=4 6720 B16R2.149 Oc1cccc2c1CC[C@@H]2NCCCF 34a_100134616730_100011934791 [0,2,0,0,0,0|0,0,2]=4 6721 B16R2.4347 C#CCCOC1(CCc2c1cccc2)C 34a_100000685031_100000688953 [0,2,0,0,0,0|1,0,0]=3 6722 B16R2.4347 C#CCCOC1(CCc2c1cccc2)C 7a_100000685031_100000688953 [0,2,0,0,0,0|1,0,0]=3 6723 B16R2.4347 CC#CCOC1(CCc2c1cccc2)C 34a_100000685031_100000748600 [0,2,0,0,0,0|1,0,0]=3 6724 B16R2.4347 CC#CCOC1(CCc2c1cccc2)C 7a_100000685031_100000748600 [0,2,0,0,0,0|1,0,0]=3 6725 B16R2.4347 CC1(CCc2c1cccc2)OCCC#N 7a_100000685031_100000184422 [0,2,0,0,0,0|1,0,1]=4 6726 B16R2.6329 C#CCCSC1CC(=O)c2c1cccc2 62a_100000688953_100010208147 [0,2,0,0,0,0|1,0,1]=4 6727 B16R2.6329 C#CCCSC1CC(=O)c2c1cccc2 62a_100010208147_100000688953 [0,2,0,0,0,0|1,0,1]=4 6728 B16R2.6329 C=CCCNC1CC(c2c1cccc2)C 269862a_100015191253_100000750356 [0,2,0,0,0,0|0,0,2]=4 6729 B16R2.6329 CC#CCNC1CC(=O)c2c1cccc2 2230a_100000685387_100010208147 [0,2,0,0,0,0|0,0,1]=3 6730 B16R2.6329 CC#CCNC1OC(=O)c2c1cccc2 2230a_100000685387_100009813457 [0,2,0,0,0,0|1,0,1]=4 6731 B16R2.6329 CC#CCSC1CC(=O)c2c1cccc2 62a_100000748600_100010208147 [0,2,0,0,0,0|1,0,1]=4 6732 B16R2.6329 CC#CCSC1CC(=O)c2c1cccc2 62a_100010208147_100000748600 [0,2,0,0,0,0|1,0,1]=4 6733 B16R2.6329 CC1CC(c2c1cccc2)NCCCF 269862a_100015189416_100000750356 [0,2,0,0,0,0|0,0,2]=4 6734 B16R2.6329 CC1CC(c2c1cccc2)NCCCO 269862a_100000182051_100000750356 [0,2,0,0,0,0|0,0,2]=4 6735 B16R2.6329 CCCCNC1CC(c2c1cccc2)C 269862a_100000102301_100000750356 [0,2,0,0,0,0|0,0,2]=4 6736 B16R2.6329 COCCNC1CC(c2c1cccc2)C 269862a_100000209980_100000750356 [0,2,0,0,0,0|0,0,2]=4 6737 B16R2.6329 CSCCNC1CC(c2c1cccc2)C 269862a_100020590264_100000750356 [0,2,0,0,0,0|0,0,2]=4 6738 B16R2.6335 C#CCCN[C@H]1c2ccccc2C[C@H]1O 2230a_100000744645_100000688953 [0,2,0,0,0,0|0,0,0]=2 6739 B16R2.6335 C=CCCN[C@H]1c2ccccc2C[C@H]1O 2230a_100000744645_100000754431 [0,2,0,0,0,0|0,0,2]=4 6740 B16R2.6335 CC#CCN[C@H]1c2ccccc2C[C@H]1O 2230a_100000744645_100000748600 [0,2,0,0,0,0|0,0,0]=2 6741 B16R2.6335 CC=CCN[C@H]1c2ccccc2C[C@H]1O 2230a_100000744645_100000070051 [0,2,0,0,0,0|0,0,2]=4 6742 B16R2.6335 CCCCN[C@H]1c2ccccc2C[C@H]1O 2230a_100000744645_100000210211 [0,2,0,0,0,0|0,0,2]=4 6743 B16R2.6335 COCCN[C@H]1c2ccccc2C[C@H]1O 2230a_100000744645_100011201679 [0,2,0,0,0,0|0,0,2]=4 6744 B16R2.6335 CSCCN[C@H]1c2ccccc2C[C@H]1O 2230a_100000744645_100000751147 [0,2,0,0,0,0|0,0,2]=4 6745 B16R2.6335 N#CCCN[C@H]1c2ccccc2C[C@H]1O 2230a_100000744645_100011215226 [0,2,0,0,0,0|0,0,1]=3 6746 B16R2.6335 OCCCN[C@H]1c2ccccc2C[C@H]1O 2230a_100000744645_100000230001 [0,2,0,0,0,0|0,0,2]=4 6747 B16R2.6335 O[C@@H]1Cc2ccccc2[C@@H]1NCCCF 2230a_100000744645_100011934791 [0,2,0,0,0,0|0,0,2]=4 6748 B16R2.27887 C#CCCNC1CCc2c1ccc(c2)Br 2230a_100000744021_100000688953 [0,2,0,0,0,0|0,0,0]=2 6749 B16R2.27887 C#CCCNC1CCc2c1ccc(c2)Br 34a_100000744021_100000688953 [0,2,0,0,0,0|0,0,0]=2 6750 B16R2.27887 C#CCCNC1CCc2c1ccc(c2)C 2230a_200000746848_100000688953 [0,2,0,0,0,0|0,0,0]=2 6751 B16R2.27887 C#CCCNC1CCc2c1ccc(c2)C 34a_200000746848_100000688953 [0,2,0,0,0,0|0,0,0]=2 6752 B16R2.27887 C#CCCNC1CCc2c1ccc(c2)Cl 2230a_100000743821_100000688953 [0,2,0,0,0,0|0,0,0]=2 6753 B16R2.27887 C#CCCNC1CCc2c1ccc(c2)Cl 34a_100000743821_100000688953 [0,2,0,0,0,0|0,0,0]=2 6754 B16R2.27887 C#CCCNC1COc2c1ccc(c2)Br 2230a_100020628175_100000688953 [0,2,0,0,0,0|1,0,0]=3 6755 B16R2.27887 C#CCCN[C@@H]1CCc2c1ccc(c2)F 2230a_100025717273_100000688953 [0,2,0,0,0,0|0,0,0]=2 6756 B16R2.27887 C#CCCN[C@@H]1CCc2c1ccc(c2)F 34a_100025717273_100000688953 [0,2,0,0,0,0|0,0,0]=2 6757 B16R2.27887 C#CCCN[C@@H]1COc2c1ccc(c2)Cl 2230a_100138412546_100000688953 [0,2,0,0,0,0|1,0,0]=3 6758 B16R2.27887 C#CCCN[C@H]1COc2c1ccc(c2)F 2230a_100102463760_100000688953 [0,2,0,0,0,0|1,0,0]=3 6759 B16R2.27887 C#CCCN[C@H]1COc2c1ccc(c2)F 34a_100102463760_100000688953 [0,2,0,0,0,0|1,0,0]=3 6760 B16R2.27887 C#CCCOC1CCc2c1ccc(c2)Br 34a_100000747877_100000688953 [0,2,0,0,0,0|1,0,0]=3 6761 B16R2.27887 C#CCCOC1CCc2c1ccc(c2)Br 7a_100000747877_100000688953 [0,2,0,0,0,0|1,0,0]=3 6762 B16R2.27887 C#CCCOC1CCc2c1ccc(c2)C 34a_100000103036_100000688953 [0,2,0,0,0,0|1,0,0]=3 6763 B16R2.27887 C#CCCOC1CCc2c1ccc(c2)C 7a_100000103036_100000688953 [0,2,0,0,0,0|1,0,0]=3 6764 B16R2.27887 C#CCCOC1CCc2c1ccc(c2)Cl 34a_100012002497_100000688953 [0,2,0,0,0,0|1,0,0]=3 6765 B16R2.27887 C#CCCOC1CCc2c1ccc(c2)Cl 7a_100012002497_100000688953 [0,2,0,0,0,0|1,0,0]=3 6766 B16R2.27887 C#CCCOC1CCc2c1ccc(c2)F 34a_100012002498_100000688953 [0,2,0,0,0,0|1,0,0]=3 6767 B16R2.27887 C#CCCOC1CCc2c1ccc(c2)F 7a_100012002498_100000688953 [0,2,0,0,0,0|1,0,0]=3 6768 B16R2.27887 C/C=C/CNC1CCc2c1ccc(c2)Br 34a_100000744021_100102629194 [0,2,0,0,0,0|0,0,2]=4 6769 B16R2.27887 C/C=C/CNC1CCc2c1ccc(c2)C 34a_200000746848_100102629194 [0,2,0,0,0,0|0,0,2]=4 6770 B16R2.27887 C/C=C/CNC1CCc2c1ccc(c2)Cl 34a_100000743821_100102629194 [0,2,0,0,0,0|0,0,2]=4 6771 B16R2.27887 C/C=C/CN[C@@H]1CCc2c1ccc(c2)F 34a_100025717273_100102629194 [0,2,0,0,0,0|0,0,2]=4 6772 B16R2.27887 C=CCCNC1CCc2c1ccc(c2)Br 2230a_100000744021_100000754431 [0,2,0,0,0,0|0,0,2]=4 6773 B16R2.27887 C=CCCNC1CCc2c1ccc(c2)Br 269862a_100015191253_100000737041 [0,2,0,0,0,0|0,0,2]=4 6774 B16R2.27887 C=CCCNC1CCc2c1ccc(c2)Br 34a_100000744021_100000754431 [0,2,0,0,0,0|0,0,2]=4 6775 B16R2.27887 C=CCCNC1CCc2c1ccc(c2)C 2230a_200000746848_100000754431 [0,2,0,0,0,0|0,0,2]=4 6776 B16R2.27887 C=CCCNC1CCc2c1ccc(c2)C 269862a_100015191253_100000743249 [0,2,0,0,0,0|0,0,2]=4 6777 B16R2.27887 C=CCCNC1CCc2c1ccc(c2)C 34a_200000746848_100000754431 [0,2,0,0,0,0|0,0,2]=4 6778 B16R2.27887 C=CCCNC1CCc2c1ccc(c2)Cl 2230a_100000743821_100000754431 [0,2,0,0,0,0|0,0,2]=4 6779 B16R2.27887 C=CCCNC1CCc2c1ccc(c2)Cl 269862a_100015191253_100000751102 [0,2,0,0,0,0|0,0,2]=4 6780 B16R2.27887 C=CCCNC1CCc2c1ccc(c2)Cl 34a_100000743821_100000754431 [0,2,0,0,0,0|0,0,2]=4 6781 B16R2.27887 C=CCCNC1CCc2c1ccc(c2)F 269862a_100015191253_100000035798 [0,2,0,0,0,0|0,0,2]=4 6782 B16R2.27887 C=CCCNC1CCc2c1ccc(c2)I 269862a_100015191253_100000049573 [0,2,0,0,0,0|0,0,2]=4 6783 B16R2.27887 C=CCCN[C@@H]1CCc2c1ccc(c2)F 2230a_100025717273_100000754431 [0,2,0,0,0,0|0,0,2]=4 6784 B16R2.27887 C=CCCN[C@@H]1CCc2c1ccc(c2)F 34a_100025717273_100000754431 [0,2,0,0,0,0|0,0,2]=4 6785 B16R2.27887 CC#CCNC1CCc2c1ccc(c2)Br 2230a_100000744021_100000748600 [0,2,0,0,0,0|0,0,0]=2 6786 B16R2.27887 CC#CCNC1CCc2c1ccc(c2)Br 34a_100000744021_100000748600 [0,2,0,0,0,0|0,0,0]=2 6787 B16R2.27887 CC#CCNC1CCc2c1ccc(c2)C 2230a_200000746848_100000748600 [0,2,0,0,0,0|0,0,0]=2 6788 B16R2.27887 CC#CCNC1CCc2c1ccc(c2)C 34a_200000746848_100000748600 [0,2,0,0,0,0|0,0,0]=2 6789 B16R2.27887 CC#CCNC1CCc2c1ccc(c2)Cl 2230a_100000743821_100000748600 [0,2,0,0,0,0|0,0,0]=2 6790 B16R2.27887 CC#CCNC1CCc2c1ccc(c2)Cl 34a_100000743821_100000748600 [0,2,0,0,0,0|0,0,0]=2 6791 B16R2.27887 CC#CCNC1COc2c1ccc(c2)Br 2230a_100020628175_100000748600 [0,2,0,0,0,0|1,0,0]=3 6792 B16R2.27887 CC#CCN[C@@H]1CCc2c1ccc(c2)F 2230a_100025717273_100000748600 [0,2,0,0,0,0|0,0,0]=2 6793 B16R2.27887 CC#CCN[C@@H]1CCc2c1ccc(c2)F 34a_100025717273_100000748600 [0,2,0,0,0,0|0,0,0]=2 6794 B16R2.27887 CC#CCN[C@@H]1COc2c1ccc(c2)Cl 2230a_100138412546_100000748600 [0,2,0,0,0,0|1,0,0]=3 6795 B16R2.27887 CC#CCN[C@H]1COc2c1ccc(c2)F 2230a_100102463760_100000748600 [0,2,0,0,0,0|1,0,0]=3 6796 B16R2.27887 CC#CCN[C@H]1COc2c1ccc(c2)F 34a_100102463760_100000748600 [0,2,0,0,0,0|1,0,0]=3 6797 B16R2.27887 CC#CCOC1CCc2c1ccc(c2)Br 34a_100000747877_100000748600 [0,2,0,0,0,0|1,0,0]=3 6798 B16R2.27887 CC#CCOC1CCc2c1ccc(c2)Br 7a_100000747877_100000748600 [0,2,0,0,0,0|1,0,0]=3 6799 B16R2.27887 CC#CCOC1CCc2c1ccc(c2)C 34a_100000103036_100000748600 [0,2,0,0,0,0|1,0,0]=3 6800 B16R2.27887 CC#CCOC1CCc2c1ccc(c2)C 7a_100000103036_100000748600 [0,2,0,0,0,0|1,0,0]=3 6801 B16R2.27887 CC#CCOC1CCc2c1ccc(c2)Cl 34a_100012002497_100000748600 [0,2,0,0,0,0|1,0,0]=3 6802 B16R2.27887 CC#CCOC1CCc2c1ccc(c2)Cl 7a_100012002497_100000748600 [0,2,0,0,0,0|1,0,0]=3 6803 B16R2.27887 CC#CCOC1CCc2c1ccc(c2)F 34a_100012002498_100000748600 [0,2,0,0,0,0|1,0,0]=3 6804 B16R2.27887 CC#CCOC1CCc2c1ccc(c2)F 7a_100012002498_100000748600 [0,2,0,0,0,0|1,0,0]=3 6805 B16R2.27887 CC=CCNC1CCc2c1ccc(c2)Br 2230a_100000744021_100000070051 [0,2,0,0,0,0|0,0,2]=4 6806 B16R2.27887 CC=CCNC1CCc2c1ccc(c2)Br 34a_100000744021_100000070051 [0,2,0,0,0,0|0,0,2]=4 6807 B16R2.27887 CC=CCNC1CCc2c1ccc(c2)C 2230a_200000746848_100000070051 [0,2,0,0,0,0|0,0,2]=4 6808 B16R2.27887 CC=CCNC1CCc2c1ccc(c2)C 34a_200000746848_100000070051 [0,2,0,0,0,0|0,0,2]=4 6809 B16R2.27887 CC=CCNC1CCc2c1ccc(c2)Cl 2230a_100000743821_100000070051 [0,2,0,0,0,0|0,0,2]=4 6810 B16R2.27887 CC=CCNC1CCc2c1ccc(c2)Cl 34a_100000743821_100000070051 [0,2,0,0,0,0|0,0,2]=4 6811 B16R2.27887 CC=CCN[C@@H]1CCc2c1ccc(c2)F 2230a_100025717273_100000070051 [0,2,0,0,0,0|0,0,2]=4 6812 B16R2.27887 CC=CCN[C@@H]1CCc2c1ccc(c2)F 34a_100025717273_100000070051 [0,2,0,0,0,0|0,0,2]=4 6813 B16R2.27887 CCCCNC1CCc2c1ccc(c2)Br 2230a_100000744021_100000210211 [0,2,0,0,0,0|0,0,2]=4 6814 B16R2.27887 CCCCNC1CCc2c1ccc(c2)Br 269862a_100000102301_100000737041 [0,2,0,0,0,0|0,0,2]=4 6815 B16R2.27887 CCCCNC1CCc2c1ccc(c2)Br 34a_100000744021_100000210210 [0,2,0,0,0,0|0,0,2]=4 6816 B16R2.27887 CCCCNC1CCc2c1ccc(c2)C 2230a_200000746848_100000210211 [0,2,0,0,0,0|0,0,2]=4 6817 B16R2.27887 CCCCNC1CCc2c1ccc(c2)C 269862a_100000102301_100000743249 [0,2,0,0,0,0|0,0,2]=4 6818 B16R2.27887 CCCCNC1CCc2c1ccc(c2)C 34a_200000746848_100000210210 [0,2,0,0,0,0|0,0,2]=4 6819 B16R2.27887 CCCCNC1CCc2c1ccc(c2)Cl 2230a_100000743821_100000210211 [0,2,0,0,0,0|0,0,2]=4 6820 B16R2.27887 CCCCNC1CCc2c1ccc(c2)Cl 269862a_100000102301_100000751102 [0,2,0,0,0,0|0,0,2]=4 6821 B16R2.27887 CCCCNC1CCc2c1ccc(c2)Cl 34a_100000743821_100000210210 [0,2,0,0,0,0|0,0,2]=4 6822 B16R2.27887 CCCCNC1CCc2c1ccc(c2)F 269862a_100000102301_100000035798 [0,2,0,0,0,0|0,0,2]=4 6823 B16R2.27887 CCCCNC1CCc2c1ccc(c2)I 269862a_100000102301_100000049573 [0,2,0,0,0,0|0,0,2]=4 6824 B16R2.27887 CCCCN[C@@H]1CCc2c1ccc(c2)F 2230a_100025717273_100000210211 [0,2,0,0,0,0|0,0,2]=4 6825 B16R2.27887 CCCCN[C@@H]1CCc2c1ccc(c2)F 34a_100025717273_100000210210 [0,2,0,0,0,0|0,0,2]=4 6826 B16R2.27887 COCCNC1CCc2c1ccc(c2)Br 2230a_100000744021_100011201679 [0,2,0,0,0,0|0,0,2]=4 6827 B16R2.27887 COCCNC1CCc2c1ccc(c2)Br 269862a_100000209980_100000737041 [0,2,0,0,0,0|0,0,2]=4 6828 B16R2.27887 COCCNC1CCc2c1ccc(c2)Br 34a_100000744021_100011201679 [0,2,0,0,0,0|0,0,2]=4 6829 B16R2.27887 COCCNC1CCc2c1ccc(c2)C 2230a_200000746848_100011201679 [0,2,0,0,0,0|0,0,2]=4 6830 B16R2.27887 COCCNC1CCc2c1ccc(c2)C 269862a_100000209980_100000743249 [0,2,0,0,0,0|0,0,2]=4 6831 B16R2.27887 COCCNC1CCc2c1ccc(c2)C 34a_200000746848_100011201679 [0,2,0,0,0,0|0,0,2]=4 6832 B16R2.27887 COCCNC1CCc2c1ccc(c2)Cl 2230a_100000743821_100011201679 [0,2,0,0,0,0|0,0,2]=4 6833 B16R2.27887 COCCNC1CCc2c1ccc(c2)Cl 269862a_100000209980_100000751102 [0,2,0,0,0,0|0,0,2]=4 6834 B16R2.27887 COCCNC1CCc2c1ccc(c2)Cl 34a_100000743821_100011201679 [0,2,0,0,0,0|0,0,2]=4 6835 B16R2.27887 COCCNC1CCc2c1ccc(c2)F 269862a_100000209980_100000035798 [0,2,0,0,0,0|0,0,2]=4 6836 B16R2.27887 COCCNC1CCc2c1ccc(c2)I 269862a_100000209980_100000049573 [0,2,0,0,0,0|0,0,2]=4 6837 B16R2.27887 COCCN[C@@H]1CCc2c1ccc(c2)F 2230a_100025717273_100011201679 [0,2,0,0,0,0|0,0,2]=4 6838 B16R2.27887 COCCN[C@@H]1CCc2c1ccc(c2)F 34a_100025717273_100011201679 [0,2,0,0,0,0|0,0,2]=4 6839 B16R2.27887 CSCCNC1CCc2c1ccc(c2)Br 2230a_100000744021_100000751147 [0,2,0,0,0,0|0,0,2]=4 6840 B16R2.27887 CSCCNC1CCc2c1ccc(c2)Br 269862a_100020590264_100000737041 [0,2,0,0,0,0|0,0,2]=4 6841 B16R2.27887 CSCCNC1CCc2c1ccc(c2)Br 34a_100000744021_100000212216 [0,2,0,0,0,0|0,0,2]=4 6842 B16R2.27887 CSCCNC1CCc2c1ccc(c2)C 2230a_200000746848_100000751147 [0,2,0,0,0,0|0,0,2]=4 6843 B16R2.27887 CSCCNC1CCc2c1ccc(c2)C 269862a_100020590264_100000743249 [0,2,0,0,0,0|0,0,2]=4 6844 B16R2.27887 CSCCNC1CCc2c1ccc(c2)C 34a_200000746848_100000212216 [0,2,0,0,0,0|0,0,2]=4 6845 B16R2.27887 CSCCNC1CCc2c1ccc(c2)Cl 2230a_100000743821_100000751147 [0,2,0,0,0,0|0,0,2]=4 6846 B16R2.27887 CSCCNC1CCc2c1ccc(c2)Cl 269862a_100020590264_100000751102 [0,2,0,0,0,0|0,0,2]=4 6847 B16R2.27887 CSCCNC1CCc2c1ccc(c2)Cl 34a_100000743821_100000212216 [0,2,0,0,0,0|0,0,2]=4 6848 B16R2.27887 CSCCNC1CCc2c1ccc(c2)F 269862a_100020590264_100000035798 [0,2,0,0,0,0|0,0,2]=4 6849 B16R2.27887 CSCCNC1CCc2c1ccc(c2)I 269862a_100020590264_100000049573 [0,2,0,0,0,0|0,0,2]=4 6850 B16R2.27887 CSCCN[C@@H]1CCc2c1ccc(c2)F 2230a_100025717273_100000751147 [0,2,0,0,0,0|0,0,2]=4 6851 B16R2.27887 CSCCN[C@@H]1CCc2c1ccc(c2)F 34a_100025717273_100000212216 [0,2,0,0,0,0|0,0,2]=4 6852 B16R2.27887 Cc1ccc2c(c1)CCC2NCCC#N 2230a_200000746848_100011215226 [0,2,0,0,0,0|0,0,1]=3 6853 B16R2.27887 Cc1ccc2c(c1)CCC2NCCCF 2230a_200000746848_100011934791 [0,2,0,0,0,0|0,0,2]=4 6854 B16R2.27887 Cc1ccc2c(c1)CCC2NCCCF 269862a_100015189416_100000743249 [0,2,0,0,0,0|0,0,2]=4 6855 B16R2.27887 Cc1ccc2c(c1)CCC2NCCCF 34a_200000746848_100011934791 [0,2,0,0,0,0|0,0,2]=4 6856 B16R2.27887 Cc1ccc2c(c1)CCC2NCCCO 2230a_200000746848_100000230001 [0,2,0,0,0,0|0,0,2]=4 6857 B16R2.27887 Cc1ccc2c(c1)CCC2NCCCO 269862a_100000182051_100000743249 [0,2,0,0,0,0|0,0,2]=4 6858 B16R2.27887 Cc1ccc2c(c1)CCC2NCCCO 34a_200000746848_100000230001 [0,2,0,0,0,0|0,0,2]=4 6859 B16R2.27887 Cc1ccc2c(c1)CCC2OCCC#N 7a_100000103036_100000184422 [0,2,0,0,0,0|1,0,1]=4 6860 B16R2.27887 FCCCNC1CCc2c1ccc(c2)Br 2230a_100000744021_100011934791 [0,2,0,0,0,0|0,0,2]=4 6861 B16R2.27887 FCCCNC1CCc2c1ccc(c2)Br 269862a_100015189416_100000737041 [0,2,0,0,0,0|0,0,2]=4 6862 B16R2.27887 FCCCNC1CCc2c1ccc(c2)Br 34a_100000744021_100011934791 [0,2,0,0,0,0|0,0,2]=4 6863 B16R2.27887 FCCCNC1CCc2c1ccc(c2)Cl 2230a_100000743821_100011934791 [0,2,0,0,0,0|0,0,2]=4 6864 B16R2.27887 FCCCNC1CCc2c1ccc(c2)Cl 269862a_100015189416_100000751102 [0,2,0,0,0,0|0,0,2]=4 6865 B16R2.27887 FCCCNC1CCc2c1ccc(c2)Cl 34a_100000743821_100011934791 [0,2,0,0,0,0|0,0,2]=4 6866 B16R2.27887 FCCCNC1CCc2c1ccc(c2)F 269862a_100015189416_100000035798 [0,2,0,0,0,0|0,0,2]=4 6867 B16R2.27887 FCCCNC1CCc2c1ccc(c2)I 269862a_100015189416_100000049573 [0,2,0,0,0,0|0,0,2]=4 6868 B16R2.27887 FCCCN[C@@H]1CCc2c1ccc(c2)F 2230a_100025717273_100011934791 [0,2,0,0,0,0|0,0,2]=4 6869 B16R2.27887 FCCCN[C@@H]1CCc2c1ccc(c2)F 34a_100025717273_100011934791 [0,2,0,0,0,0|0,0,2]=4 6870 B16R2.27887 N#CCCNC1CCc2c1ccc(c2)Br 2230a_100000744021_100011215226 [0,2,0,0,0,0|0,0,1]=3 6871 B16R2.27887 N#CCCNC1CCc2c1ccc(c2)Cl 2230a_100000743821_100011215226 [0,2,0,0,0,0|0,0,1]=3 6872 B16R2.27887 N#CCCNC1COc2c1ccc(c2)Br 2230a_100020628175_100011215226 [0,2,0,0,0,0|1,0,1]=4 6873 B16R2.27887 N#CCCN[C@@H]1CCc2c1ccc(c2)F 2230a_100025717273_100011215226 [0,2,0,0,0,0|0,0,1]=3 6874 B16R2.27887 N#CCCN[C@@H]1COc2c1ccc(c2)Cl 2230a_100138412546_100011215226 [0,2,0,0,0,0|1,0,1]=4 6875 B16R2.27887 N#CCCN[C@H]1COc2c1ccc(c2)F 2230a_100102463760_100011215226 [0,2,0,0,0,0|1,0,1]=4 6876 B16R2.27887 N#CCCOC1CCc2c1ccc(c2)Br 7a_100000747877_100000184422 [0,2,0,0,0,0|1,0,1]=4 6877 B16R2.27887 N#CCCOC1CCc2c1ccc(c2)Cl 7a_100012002497_100000184422 [0,2,0,0,0,0|1,0,1]=4 6878 B16R2.27887 N#CCCOC1CCc2c1ccc(c2)F 7a_100012002498_100000184422 [0,2,0,0,0,0|1,0,1]=4 6879 B16R2.27887 OCCCNC1CCc2c1ccc(c2)Br 2230a_100000744021_100000230001 [0,2,0,0,0,0|0,0,2]=4 6880 B16R2.27887 OCCCNC1CCc2c1ccc(c2)Br 269862a_100000182051_100000737041 [0,2,0,0,0,0|0,0,2]=4 6881 B16R2.27887 OCCCNC1CCc2c1ccc(c2)Br 34a_100000744021_100000230001 [0,2,0,0,0,0|0,0,2]=4 6882 B16R2.27887 OCCCNC1CCc2c1ccc(c2)Cl 2230a_100000743821_100000230001 [0,2,0,0,0,0|0,0,2]=4 6883 B16R2.27887 OCCCNC1CCc2c1ccc(c2)Cl 269862a_100000182051_100000751102 [0,2,0,0,0,0|0,0,2]=4 6884 B16R2.27887 OCCCNC1CCc2c1ccc(c2)Cl 34a_100000743821_100000230001 [0,2,0,0,0,0|0,0,2]=4 6885 B16R2.27887 OCCCNC1CCc2c1ccc(c2)F 269862a_100000182051_100000035798 [0,2,0,0,0,0|0,0,2]=4 6886 B16R2.27887 OCCCNC1CCc2c1ccc(c2)I 269862a_100000182051_100000049573 [0,2,0,0,0,0|0,0,2]=4 6887 B16R2.27887 OCCCN[C@@H]1CCc2c1ccc(c2)F 2230a_100025717273_100000230001 [0,2,0,0,0,0|0,0,2]=4 6888 B16R2.27887 OCCCN[C@@H]1CCc2c1ccc(c2)F 34a_100025717273_100000230001 [0,2,0,0,0,0|0,0,2]=4 6889 B16R2.205493 C#CCCNC1CCc2c1cc(cc2)Br 2230a_100011435097_100000688953 [0,2,0,0,0,0|0,0,0]=2 6890 B16R2.205493 C#CCCNC1CCc2c1cc(cc2)Br 34a_100011435097_100000688953 [0,2,0,0,0,0|0,0,0]=2 6891 B16R2.205493 C#CCCNC1CCc2c1cc(cc2)Cl 2230a_100016987686_100000688953 [0,2,0,0,0,0|0,0,0]=2 6892 B16R2.205493 C#CCCNC1CCc2c1cc(cc2)Cl 34a_100016987686_100000688953 [0,2,0,0,0,0|0,0,0]=2 6893 B16R2.205493 C#CCCNC1CCc2c1cc(cc2)F 2230a_100000752734_100000688953 [0,2,0,0,0,0|0,0,0]=2 6894 B16R2.205493 C#CCCNC1CCc2c1cc(cc2)F 34a_100000752734_100000688953 [0,2,0,0,0,0|0,0,0]=2 6895 B16R2.205493 C#CCCNC1COc2c1cc(cc2)Cl 2230a_100000705955_100000688953 [0,2,0,0,0,0|1,0,0]=3 6896 B16R2.205493 C#CCCN[C@@H]1COc2c1cc(cc2)F 2230a_100161114692_100000688953 [0,2,0,0,0,0|1,0,0]=3 6897 B16R2.205493 C#CCCN[C@@H]1COc2c1cc(cc2)F 34a_100161114692_100000688953 [0,2,0,0,0,0|1,0,0]=3 6898 B16R2.205493 C#CCCOC1CCc2c1cc(cc2)Br 34a_100011836024_100000688953 [0,2,0,0,0,0|1,0,0]=3 6899 B16R2.205493 C#CCCOC1CCc2c1cc(cc2)Br 7a_100011836024_100000688953 [0,2,0,0,0,0|1,0,0]=3 6900 B16R2.205493 C/C=C/CNC1CCc2c1cc(cc2)Br 34a_100011435097_100102629194 [0,2,0,0,0,0|0,0,2]=4 6901 B16R2.205493 C/C=C/CNC1CCc2c1cc(cc2)Cl 34a_100016987686_100102629194 [0,2,0,0,0,0|0,0,2]=4 6902 B16R2.205493 C/C=C/CNC1CCc2c1cc(cc2)F 34a_100000752734_100102629194 [0,2,0,0,0,0|0,0,2]=4 6903 B16R2.205493 C=CCCNC1CCc2c1cc(cc2)Br 2230a_100011435097_100000754431 [0,2,0,0,0,0|0,0,2]=4 6904 B16R2.205493 C=CCCNC1CCc2c1cc(cc2)Br 269862a_100015191253_100000759401 [0,2,0,0,0,0|0,0,2]=4 6905 B16R2.205493 C=CCCNC1CCc2c1cc(cc2)Br 34a_100011435097_100000754431 [0,2,0,0,0,0|0,0,2]=4 6906 B16R2.205493 C=CCCNC1CCc2c1cc(cc2)C 269862a_100015191253_100000753597 [0,2,0,0,0,0|0,0,2]=4 6907 B16R2.205493 C=CCCNC1CCc2c1cc(cc2)Cl 2230a_100016987686_100000754431 [0,2,0,0,0,0|0,0,2]=4 6908 B16R2.205493 C=CCCNC1CCc2c1cc(cc2)Cl 269862a_100015191253_100000759629 [0,2,0,0,0,0|0,0,2]=4 6909 B16R2.205493 C=CCCNC1CCc2c1cc(cc2)Cl 34a_100016987686_100000754431 [0,2,0,0,0,0|0,0,2]=4 6910 B16R2.205493 C=CCCNC1CCc2c1cc(cc2)F 2230a_100000752734_100000754431 [0,2,0,0,0,0|0,0,2]=4 6911 B16R2.205493 C=CCCNC1CCc2c1cc(cc2)F 269862a_100015191253_100000759630 [0,2,0,0,0,0|0,0,2]=4 6912 B16R2.205493 C=CCCNC1CCc2c1cc(cc2)F 34a_100000752734_100000754431 [0,2,0,0,0,0|0,0,2]=4 6913 B16R2.205493 C=CCCNC1CCc2c1cc(cc2)I 269862a_100015191253_100011356848 [0,2,0,0,0,0|0,0,2]=4 6914 B16R2.205493 CC#CCNC1CCc2c1cc(cc2)Br 2230a_100011435097_100000748600 [0,2,0,0,0,0|0,0,0]=2 6915 B16R2.205493 CC#CCNC1CCc2c1cc(cc2)Br 34a_100011435097_100000748600 [0,2,0,0,0,0|0,0,0]=2 6916 B16R2.205493 CC#CCNC1CCc2c1cc(cc2)Cl 2230a_100016987686_100000748600 [0,2,0,0,0,0|0,0,0]=2 6917 B16R2.205493 CC#CCNC1CCc2c1cc(cc2)Cl 34a_100016987686_100000748600 [0,2,0,0,0,0|0,0,0]=2 6918 B16R2.205493 CC#CCNC1CCc2c1cc(cc2)F 2230a_100000752734_100000748600 [0,2,0,0,0,0|0,0,0]=2 6919 B16R2.205493 CC#CCNC1CCc2c1cc(cc2)F 34a_100000752734_100000748600 [0,2,0,0,0,0|0,0,0]=2 6920 B16R2.205493 CC#CCNC1COc2c1cc(cc2)Cl 2230a_100000705955_100000748600 [0,2,0,0,0,0|1,0,0]=3 6921 B16R2.205493 CC#CCN[C@@H]1COc2c1cc(cc2)F 2230a_100161114692_100000748600 [0,2,0,0,0,0|1,0,0]=3 6922 B16R2.205493 CC#CCN[C@@H]1COc2c1cc(cc2)F 34a_100161114692_100000748600 [0,2,0,0,0,0|1,0,0]=3 6923 B16R2.205493 CC#CCOC1CCc2c1cc(cc2)Br 34a_100011836024_100000748600 [0,2,0,0,0,0|1,0,0]=3 6924 B16R2.205493 CC#CCOC1CCc2c1cc(cc2)Br 7a_100011836024_100000748600 [0,2,0,0,0,0|1,0,0]=3 6925 B16R2.205493 CC=CCNC1CCc2c1cc(cc2)Br 2230a_100011435097_100000070051 [0,2,0,0,0,0|0,0,2]=4 6926 B16R2.205493 CC=CCNC1CCc2c1cc(cc2)Br 34a_100011435097_100000070051 [0,2,0,0,0,0|0,0,2]=4 6927 B16R2.205493 CC=CCNC1CCc2c1cc(cc2)Cl 2230a_100016987686_100000070051 [0,2,0,0,0,0|0,0,2]=4 6928 B16R2.205493 CC=CCNC1CCc2c1cc(cc2)Cl 34a_100016987686_100000070051 [0,2,0,0,0,0|0,0,2]=4 6929 B16R2.205493 CC=CCNC1CCc2c1cc(cc2)F 2230a_100000752734_100000070051 [0,2,0,0,0,0|0,0,2]=4 6930 B16R2.205493 CC=CCNC1CCc2c1cc(cc2)F 34a_100000752734_100000070051 [0,2,0,0,0,0|0,0,2]=4 6931 B16R2.205493 CCCCNC1CCc2c1cc(cc2)Br 2230a_100011435097_100000210211 [0,2,0,0,0,0|0,0,2]=4 6932 B16R2.205493 CCCCNC1CCc2c1cc(cc2)Br 269862a_100000102301_100000759401 [0,2,0,0,0,0|0,0,2]=4 6933 B16R2.205493 CCCCNC1CCc2c1cc(cc2)Br 34a_100011435097_100000210210 [0,2,0,0,0,0|0,0,2]=4 6934 B16R2.205493 CCCCNC1CCc2c1cc(cc2)C 269862a_100000102301_100000753597 [0,2,0,0,0,0|0,0,2]=4 6935 B16R2.205493 CCCCNC1CCc2c1cc(cc2)Cl 2230a_100016987686_100000210211 [0,2,0,0,0,0|0,0,2]=4 6936 B16R2.205493 CCCCNC1CCc2c1cc(cc2)Cl 269862a_100000102301_100000759629 [0,2,0,0,0,0|0,0,2]=4 6937 B16R2.205493 CCCCNC1CCc2c1cc(cc2)Cl 34a_100016987686_100000210210 [0,2,0,0,0,0|0,0,2]=4 6938 B16R2.205493 CCCCNC1CCc2c1cc(cc2)F 2230a_100000752734_100000210211 [0,2,0,0,0,0|0,0,2]=4 6939 B16R2.205493 CCCCNC1CCc2c1cc(cc2)F 269862a_100000102301_100000759630 [0,2,0,0,0,0|0,0,2]=4 6940 B16R2.205493 CCCCNC1CCc2c1cc(cc2)F 34a_100000752734_100000210210 [0,2,0,0,0,0|0,0,2]=4 6941 B16R2.205493 CCCCNC1CCc2c1cc(cc2)I 269862a_100000102301_100011356848 [0,2,0,0,0,0|0,0,2]=4 6942 B16R2.205493 COCCNC1CCc2c1cc(cc2)Br 2230a_100011435097_100011201679 [0,2,0,0,0,0|0,0,2]=4 6943 B16R2.205493 COCCNC1CCc2c1cc(cc2)Br 269862a_100000209980_100000759401 [0,2,0,0,0,0|0,0,2]=4 6944 B16R2.205493 COCCNC1CCc2c1cc(cc2)Br 34a_100011435097_100011201679 [0,2,0,0,0,0|0,0,2]=4 6945 B16R2.205493 COCCNC1CCc2c1cc(cc2)C 269862a_100000209980_100000753597 [0,2,0,0,0,0|0,0,2]=4 6946 B16R2.205493 COCCNC1CCc2c1cc(cc2)Cl 2230a_100016987686_100011201679 [0,2,0,0,0,0|0,0,2]=4 6947 B16R2.205493 COCCNC1CCc2c1cc(cc2)Cl 269862a_100000209980_100000759629 [0,2,0,0,0,0|0,0,2]=4 6948 B16R2.205493 COCCNC1CCc2c1cc(cc2)Cl 34a_100016987686_100011201679 [0,2,0,0,0,0|0,0,2]=4 6949 B16R2.205493 COCCNC1CCc2c1cc(cc2)F 2230a_100000752734_100011201679 [0,2,0,0,0,0|0,0,2]=4 6950 B16R2.205493 COCCNC1CCc2c1cc(cc2)F 269862a_100000209980_100000759630 [0,2,0,0,0,0|0,0,2]=4 6951 B16R2.205493 COCCNC1CCc2c1cc(cc2)F 34a_100000752734_100011201679 [0,2,0,0,0,0|0,0,2]=4 6952 B16R2.205493 COCCNC1CCc2c1cc(cc2)I 269862a_100000209980_100011356848 [0,2,0,0,0,0|0,0,2]=4 6953 B16R2.205493 CSCCNC1CCc2c1cc(cc2)Br 2230a_100011435097_100000751147 [0,2,0,0,0,0|0,0,2]=4 6954 B16R2.205493 CSCCNC1CCc2c1cc(cc2)Br 269862a_100020590264_100000759401 [0,2,0,0,0,0|0,0,2]=4 6955 B16R2.205493 CSCCNC1CCc2c1cc(cc2)Br 34a_100011435097_100000212216 [0,2,0,0,0,0|0,0,2]=4 6956 B16R2.205493 CSCCNC1CCc2c1cc(cc2)C 269862a_100020590264_100000753597 [0,2,0,0,0,0|0,0,2]=4 6957 B16R2.205493 CSCCNC1CCc2c1cc(cc2)Cl 2230a_100016987686_100000751147 [0,2,0,0,0,0|0,0,2]=4 6958 B16R2.205493 CSCCNC1CCc2c1cc(cc2)Cl 269862a_100020590264_100000759629 [0,2,0,0,0,0|0,0,2]=4 6959 B16R2.205493 CSCCNC1CCc2c1cc(cc2)Cl 34a_100016987686_100000212216 [0,2,0,0,0,0|0,0,2]=4 6960 B16R2.205493 CSCCNC1CCc2c1cc(cc2)F 2230a_100000752734_100000751147 [0,2,0,0,0,0|0,0,2]=4 6961 B16R2.205493 CSCCNC1CCc2c1cc(cc2)F 269862a_100020590264_100000759630 [0,2,0,0,0,0|0,0,2]=4 6962 B16R2.205493 CSCCNC1CCc2c1cc(cc2)F 34a_100000752734_100000212216 [0,2,0,0,0,0|0,0,2]=4 6963 B16R2.205493 CSCCNC1CCc2c1cc(cc2)I 269862a_100020590264_100011356848 [0,2,0,0,0,0|0,0,2]=4 6964 B16R2.205493 Cc1ccc2c(c1)C(CC2)NCCCF 269862a_100015189416_100000753597 [0,2,0,0,0,0|0,0,2]=4 6965 B16R2.205493 Cc1ccc2c(c1)C(CC2)NCCCO 269862a_100000182051_100000753597 [0,2,0,0,0,0|0,0,2]=4 6966 B16R2.205493 FCCCNC1CCc2c1cc(cc2)Br 2230a_100011435097_100011934791 [0,2,0,0,0,0|0,0,2]=4 6967 B16R2.205493 FCCCNC1CCc2c1cc(cc2)Br 269862a_100015189416_100000759401 [0,2,0,0,0,0|0,0,2]=4 6968 B16R2.205493 FCCCNC1CCc2c1cc(cc2)Br 34a_100011435097_100011934791 [0,2,0,0,0,0|0,0,2]=4 6969 B16R2.205493 FCCCNC1CCc2c1cc(cc2)Cl 2230a_100016987686_100011934791 [0,2,0,0,0,0|0,0,2]=4 6970 B16R2.205493 FCCCNC1CCc2c1cc(cc2)Cl 269862a_100015189416_100000759629 [0,2,0,0,0,0|0,0,2]=4 6971 B16R2.205493 FCCCNC1CCc2c1cc(cc2)Cl 34a_100016987686_100011934791 [0,2,0,0,0,0|0,0,2]=4 6972 B16R2.205493 FCCCNC1CCc2c1cc(cc2)F 2230a_100000752734_100011934791 [0,2,0,0,0,0|0,0,2]=4 6973 B16R2.205493 FCCCNC1CCc2c1cc(cc2)F 269862a_100015189416_100000759630 [0,2,0,0,0,0|0,0,2]=4 6974 B16R2.205493 FCCCNC1CCc2c1cc(cc2)F 34a_100000752734_100011934791 [0,2,0,0,0,0|0,0,2]=4 6975 B16R2.205493 FCCCNC1CCc2c1cc(cc2)I 269862a_100015189416_100011356848 [0,2,0,0,0,0|0,0,2]=4 6976 B16R2.205493 N#CCCNC1CCc2c1cc(cc2)Br 2230a_100011435097_100011215226 [0,2,0,0,0,0|0,0,1]=3 6977 B16R2.205493 N#CCCNC1CCc2c1cc(cc2)Cl 2230a_100016987686_100011215226 [0,2,0,0,0,0|0,0,1]=3 6978 B16R2.205493 N#CCCNC1CCc2c1cc(cc2)F 2230a_100000752734_100011215226 [0,2,0,0,0,0|0,0,1]=3 6979 B16R2.205493 N#CCCNC1COc2c1cc(cc2)Cl 2230a_100000705955_100011215226 [0,2,0,0,0,0|1,0,1]=4 6980 B16R2.205493 N#CCCN[C@@H]1COc2c1cc(cc2)F 2230a_100161114692_100011215226 [0,2,0,0,0,0|1,0,1]=4 6981 B16R2.205493 N#CCCOC1CCc2c1cc(cc2)Br 7a_100011836024_100000184422 [0,2,0,0,0,0|1,0,1]=4 6982 B16R2.205493 OCCCNC1CCc2c1cc(cc2)Br 2230a_100011435097_100000230001 [0,2,0,0,0,0|0,0,2]=4 6983 B16R2.205493 OCCCNC1CCc2c1cc(cc2)Br 269862a_100000182051_100000759401 [0,2,0,0,0,0|0,0,2]=4 6984 B16R2.205493 OCCCNC1CCc2c1cc(cc2)Br 34a_100011435097_100000230001 [0,2,0,0,0,0|0,0,2]=4 6985 B16R2.205493 OCCCNC1CCc2c1cc(cc2)Cl 2230a_100016987686_100000230001 [0,2,0,0,0,0|0,0,2]=4 6986 B16R2.205493 OCCCNC1CCc2c1cc(cc2)Cl 269862a_100000182051_100000759629 [0,2,0,0,0,0|0,0,2]=4 6987 B16R2.205493 OCCCNC1CCc2c1cc(cc2)Cl 34a_100016987686_100000230001 [0,2,0,0,0,0|0,0,2]=4 6988 B16R2.205493 OCCCNC1CCc2c1cc(cc2)F 2230a_100000752734_100000230001 [0,2,0,0,0,0|0,0,2]=4 6989 B16R2.205493 OCCCNC1CCc2c1cc(cc2)F 269862a_100000182051_100000759630 [0,2,0,0,0,0|0,0,2]=4 6990 B16R2.205493 OCCCNC1CCc2c1cc(cc2)F 34a_100000752734_100000230001 [0,2,0,0,0,0|0,0,2]=4 6991 B16R2.205493 OCCCNC1CCc2c1cc(cc2)I 269862a_100000182051_100011356848 [0,2,0,0,0,0|0,0,2]=4 6992 B16R2.205532 C#CCCNC1CCc2c1c(ccc2)Br 2230a_100103168669_100000688953 [0,2,0,0,0,0|0,0,0]=2 6993 B16R2.205532 C#CCCNC1CCc2c1c(ccc2)Br 34a_100103168669_100000688953 [0,2,0,0,0,0|0,0,0]=2 6994 B16R2.205532 C#CCCN[C@@H]1COc2c1c(ccc2)F 2230a_200015272058_100000688953 [0,2,0,0,0,0|1,0,0]=3 6995 B16R2.205532 C#CCCN[C@@H]1COc2c1c(ccc2)F 34a_200015272058_100000688953 [0,2,0,0,0,0|1,0,0]=3 6996 B16R2.205532 C#CCCOC1CSc2c1c(ccc2)Br 7a_200010991195_100000688953 [0,2,0,0,0,0|2,0,0]=4 6997 B16R2.205532 C/C=C/CNC1CCc2c1c(ccc2)Br 34a_100103168669_100102629194 [0,2,0,0,0,0|0,0,2]=4 6998 B16R2.205532 C=CCCNC1CCc2c1c(ccc2)Br 2230a_100103168669_100000754431 [0,2,0,0,0,0|0,0,2]=4 6999 B16R2.205532 C=CCCNC1CCc2c1c(ccc2)Br 34a_100103168669_100000754431 [0,2,0,0,0,0|0,0,2]=4 7000 B16R2.205532 CC#CCNC1CCc2c1c(ccc2)Br 2230a_100103168669_100000748600 [0,2,0,0,0,0|0,0,0]=2 7001 B16R2.205532 CC#CCNC1CCc2c1c(ccc2)Br 34a_100103168669_100000748600 [0,2,0,0,0,0|0,0,0]=2 7002 B16R2.205532 CC#CCN[C@@H]1COc2c1c(ccc2)F 2230a_200015272058_100000748600 [0,2,0,0,0,0|1,0,0]=3 7003 B16R2.205532 CC#CCN[C@@H]1COc2c1c(ccc2)F 34a_200015272058_100000748600 [0,2,0,0,0,0|1,0,0]=3 7004 B16R2.205532 CC#CCOC1CSc2c1c(ccc2)Br 7a_200010991195_100000748600 [0,2,0,0,0,0|2,0,0]=4 7005 B16R2.205532 CC=CCNC1CCc2c1c(ccc2)Br 2230a_100103168669_100000070051 [0,2,0,0,0,0|0,0,2]=4 7006 B16R2.205532 CC=CCNC1CCc2c1c(ccc2)Br 34a_100103168669_100000070051 [0,2,0,0,0,0|0,0,2]=4 7007 B16R2.205532 CCCCNC1CCc2c1c(ccc2)Br 2230a_100103168669_100000210211 [0,2,0,0,0,0|0,0,2]=4 7008 B16R2.205532 CCCCNC1CCc2c1c(ccc2)Br 34a_100103168669_100000210210 [0,2,0,0,0,0|0,0,2]=4 7009 B16R2.205532 COCCNC1CCc2c1c(ccc2)Br 2230a_100103168669_100011201679 [0,2,0,0,0,0|0,0,2]=4 7010 B16R2.205532 COCCNC1CCc2c1c(ccc2)Br 34a_100103168669_100011201679 [0,2,0,0,0,0|0,0,2]=4 7011 B16R2.205532 CSCCNC1CCc2c1c(ccc2)Br 2230a_100103168669_100000751147 [0,2,0,0,0,0|0,0,2]=4 7012 B16R2.205532 CSCCNC1CCc2c1c(ccc2)Br 34a_100103168669_100000212216 [0,2,0,0,0,0|0,0,2]=4 7013 B16R2.205532 FCCCNC1CCc2c1c(ccc2)Br 2230a_100103168669_100011934791 [0,2,0,0,0,0|0,0,2]=4 7014 B16R2.205532 FCCCNC1CCc2c1c(ccc2)Br 34a_100103168669_100011934791 [0,2,0,0,0,0|0,0,2]=4 7015 B16R2.205532 N#CCCNC1CCc2c1c(ccc2)Br 2230a_100103168669_100011215226 [0,2,0,0,0,0|0,0,1]=3 7016 B16R2.205532 N#CCCN[C@@H]1COc2c1c(ccc2)F 2230a_200015272058_100011215226 [0,2,0,0,0,0|1,0,1]=4 7017 B16R2.205532 OCCCNC1CCc2c1c(ccc2)Br 2230a_100103168669_100000230001 [0,2,0,0,0,0|0,0,2]=4 7018 B16R2.205532 OCCCNC1CCc2c1c(ccc2)Br 34a_100103168669_100000230001 [0,2,0,0,0,0|0,0,2]=4 7019 B16R2.520 C=C(C)CN(C)C1CCc2c1cccc2 2230a_100000225649_200000721974 [0,2,0,0,0,0|0,0,2]=4 7020 B16R2.520 C=C(C)CN(C)C1CCc2c1cccc2 269982a_100000225649_200000721974 [0,2,0,0,0,0|0,0,2]=4 7021 B16R2.520 CC(C)CN(C)C1CCc2c1cccc2 2230a_100000747067_200000721974 [0,2,0,0,0,0|0,0,2]=4 7022 B16R2.520 CC(C)CN(C)C1CCc2c1cccc2 269982a_100000747067_200000721974 [0,2,0,0,0,0|0,0,2]=4 7023 B16R2.520 CC(O)CN(C)C1CCc2c1cccc2 2230a_100000227577_200000721974 [0,2,0,0,0,0|0,0,2]=4 7024 B16R2.520 CC(O)CN(C)C1CCc2c1cccc2 269982a_100000227577_200000721974 [0,2,0,0,0,0|0,0,2]=4 7025 B16R2.520 CN(CC(=O)N)C1CCc2c1cccc2 2230a_100000739694_200000721974 [0,2,0,0,0,0|1,0,1]=4 7026 B16R2.520 CN(CC(=O)O)C1CCc2c1cccc2 269956a_100000746989_200000721974 [0,2,0,0,0,0|1,0,1]=4 7027 B16R2.2947 CC(C)(C)CNC1CCc2c1cccc2 2230a_100000743828_200000721974 [0,2,0,0,0,0|0,0,2]=4 7028 B16R2.2947 CC(C)(C)CNC1CCc2c1cccc2 269862a_100000743828_100000212051 [0,2,0,0,0,0|0,0,2]=4 7029 B16R2.2947 CC(C)(C)CN[C@H]1CCc2c1cccc2 270004a_100016989578_100011204126 [0,2,0,0,0,0|0,0,2]=4 7030 B16R2.2947 CC(C)(C)CN[C@H]1CCc2c1cccc2 34a_100016989578_100011219605 [0,2,0,0,0,0|0,0,2]=4 7031 B16R2.2947 CC(C)(F)CNC1CCc2c1cccc2 2230a_100020643315_200000721974 [0,2,0,0,0,0|0,0,2]=4 7032 B16R2.2947 CC(C)(F)CNC1CCc2c1cccc2 269862a_100020643315_100000212051 [0,2,0,0,0,0|0,0,2]=4 7033 B16R2.2947 CC(C)(F)CN[C@H]1CCc2c1cccc2 34a_100016989578_100011997219 [0,2,0,0,0,0|0,0,2]=4 7034 B16R2.2947 CC(C)(O)CNC1CCc2c1cccc2 2230a_100000751335_200000721974 [0,2,0,0,0,0|0,0,2]=4 7035 B16R2.2947 CC(C)(O)CNC1CCc2c1cccc2 269862a_100000751335_100000212051 [0,2,0,0,0,0|0,0,2]=4 7036 B16R2.2947 CC(C)(O)CN[C@H]1CCc2c1cccc2 34a_100016989578_100000764493 [0,2,0,0,0,0|0,0,2]=4 7037 B16R2.2947 CC(F)(F)CNC1CCc2c1cccc2 269862a_100000731000_100000212051 [0,2,0,0,0,0|0,0,2]=4 7038 B16R2.2947 C[Si](C)(C)CN[C@H]1CCc2c1cccc2 2230a_100016989578_100000037933 [0,2,0,0,0,0|0,1,1]=4 7039 B16R2.2947 FC(F)(F)CN[C@H]1CCc2c1cccc2 2230a_100016989578_100000763148 [0,2,0,0,0,0|1,0,1]=4 7040 B16R2.2947 O=S(=O)([O-])CN[C@H]1CCc2c1cccc2 34a_100016989578_100009817235 [0,2,0,0,0,0|2,0,0]=4 7041 B16R2.2976 C=C(C)CNC1CCc2c1ccc(c2)Br 2230a_100000744021_100000748629 [0,2,0,0,0,0|0,0,2]=4 7042 B16R2.2976 C=C(C)CNC1CCc2c1ccc(c2)Br 34a_100000744021_100000748629 [0,2,0,0,0,0|0,0,2]=4 7043 B16R2.2976 C=C(C)CNC1CCc2c1ccc(c2)C 2230a_200000746848_100000748629 [0,2,0,0,0,0|0,0,2]=4 7044 B16R2.2976 C=C(C)CNC1CCc2c1ccc(c2)C 34a_200000746848_100000748629 [0,2,0,0,0,0|0,0,2]=4 7045 B16R2.2976 C=C(C)CNC1CCc2c1ccc(c2)Cl 2230a_100000743821_100000748629 [0,2,0,0,0,0|0,0,2]=4 7046 B16R2.2976 C=C(C)CNC1CCc2c1ccc(c2)Cl 34a_100000743821_100000748629 [0,2,0,0,0,0|0,0,2]=4 7047 B16R2.2976 C=C(C)CN[C@@H]1CCc2c1ccc(c2)F 2230a_100025717273_100000748629 [0,2,0,0,0,0|0,0,2]=4 7048 B16R2.2976 C=C(C)CN[C@@H]1CCc2c1ccc(c2)F 34a_100025717273_100000748629 [0,2,0,0,0,0|0,0,2]=4 7049 B16R2.2976 C=C(F)CNC1CCc2c1ccc(c2)Br 2230a_100000744021_100009893438 [0,2,0,0,0,0|0,0,2]=4 7050 B16R2.2976 C=C(F)CNC1CCc2c1ccc(c2)Br 34a_100000744021_100009893438 [0,2,0,0,0,0|0,0,2]=4 7051 B16R2.2976 C=C(F)CNC1CCc2c1ccc(c2)C 2230a_200000746848_100009893438 [0,2,0,0,0,0|0,0,2]=4 7052 B16R2.2976 C=C(F)CNC1CCc2c1ccc(c2)C 34a_200000746848_100009893438 [0,2,0,0,0,0|0,0,2]=4 7053 B16R2.2976 C=C(F)CNC1CCc2c1ccc(c2)Cl 2230a_100000743821_100009893438 [0,2,0,0,0,0|0,0,2]=4 7054 B16R2.2976 C=C(F)CNC1CCc2c1ccc(c2)Cl 34a_100000743821_100009893438 [0,2,0,0,0,0|0,0,2]=4 7055 B16R2.2976 C=C(F)CN[C@@H]1CCc2c1ccc(c2)F 2230a_100025717273_100009893438 [0,2,0,0,0,0|0,0,2]=4 7056 B16R2.2976 C=C(F)CN[C@@H]1CCc2c1ccc(c2)F 34a_100025717273_100009893438 [0,2,0,0,0,0|0,0,2]=4 7057 B16R2.2976 CC(C)CNC1CCc2c1ccc(c2)Br 2230a_100000744021_100000210760 [0,2,0,0,0,0|0,0,2]=4 7058 B16R2.2976 CC(C)CNC1CCc2c1ccc(c2)Br 269862a_100000210953_100000737041 [0,2,0,0,0,0|0,0,2]=4 7059 B16R2.2976 CC(C)CNC1CCc2c1ccc(c2)Br 270004a_100000744021_100000210432 [0,2,0,0,0,0|0,0,2]=4 7060 B16R2.2976 CC(C)CNC1CCc2c1ccc(c2)Br 34a_100000744021_100000210624 [0,2,0,0,0,0|0,0,2]=4 7061 B16R2.2976 CC(C)CNC1CCc2c1ccc(c2)Cl 2230a_100000743821_100000210760 [0,2,0,0,0,0|0,0,2]=4 7062 B16R2.2976 CC(C)CNC1CCc2c1ccc(c2)Cl 269862a_100000210953_100000751102 [0,2,0,0,0,0|0,0,2]=4 7063 B16R2.2976 CC(C)CNC1CCc2c1ccc(c2)Cl 270004a_100000743821_100000210432 [0,2,0,0,0,0|0,0,2]=4 7064 B16R2.2976 CC(C)CNC1CCc2c1ccc(c2)Cl 34a_100000743821_100000210624 [0,2,0,0,0,0|0,0,2]=4 7065 B16R2.2976 CC(C)CNC1CCc2c1ccc(c2)F 269862a_100000210953_100000035798 [0,2,0,0,0,0|0,0,2]=4 7066 B16R2.2976 CC(C)CNC1CCc2c1ccc(c2)I 269862a_100000210953_100000049573 [0,2,0,0,0,0|0,0,2]=4 7067 B16R2.2976 CC(C)CN[C@@H]1CCc2c1ccc(c2)F 2230a_100025717273_100000210760 [0,2,0,0,0,0|0,0,2]=4 7068 B16R2.2976 CC(C)CN[C@@H]1CCc2c1ccc(c2)F 270004a_100025717273_100000210432 [0,2,0,0,0,0|0,0,2]=4 7069 B16R2.2976 CC(C)CN[C@@H]1CCc2c1ccc(c2)F 34a_100025717273_100000210624 [0,2,0,0,0,0|0,0,2]=4 7070 B16R2.2976 CC(O)CNC1CCc2c1ccc(c2)Br 2230a_100000744021_100011218427 [0,2,0,0,0,0|0,0,2]=4 7071 B16R2.2976 CC(O)CNC1CCc2c1ccc(c2)Br 269862a_100000210904_100000737041 [0,2,0,0,0,0|0,0,2]=4 7072 B16R2.2976 CC(O)CNC1CCc2c1ccc(c2)Br 34a_100000744021_100011218427 [0,2,0,0,0,0|0,0,2]=4 7073 B16R2.2976 CC(O)CNC1CCc2c1ccc(c2)Cl 2230a_100000743821_100011218427 [0,2,0,0,0,0|0,0,2]=4 7074 B16R2.2976 CC(O)CNC1CCc2c1ccc(c2)Cl 269862a_100000210904_100000751102 [0,2,0,0,0,0|0,0,2]=4 7075 B16R2.2976 CC(O)CNC1CCc2c1ccc(c2)Cl 34a_100000743821_100011218427 [0,2,0,0,0,0|0,0,2]=4 7076 B16R2.2976 CC(O)CNC1CCc2c1ccc(c2)F 269862a_100000210904_100000035798 [0,2,0,0,0,0|0,0,2]=4 7077 B16R2.2976 CC(O)CNC1CCc2c1ccc(c2)I 269862a_100000210904_100000049573 [0,2,0,0,0,0|0,0,2]=4 7078 B16R2.2976 CC(O)CN[C@@H]1CCc2c1ccc(c2)F 2230a_100025717273_100011218427 [0,2,0,0,0,0|0,0,2]=4 7079 B16R2.2976 CC(O)CN[C@@H]1CCc2c1ccc(c2)F 34a_100025717273_100011218427 [0,2,0,0,0,0|0,0,2]=4 7080 B16R2.2976 C[C@@H](O)CNC1CCc2c1ccc(c2)Br 2230a_100000744021_100009817552 [0,2,0,0,0,0|0,0,2]=4 7081 B16R2.2976 C[C@@H](O)CNC1CCc2c1ccc(c2)Br 34a_100000744021_100009817552 [0,2,0,0,0,0|0,0,2]=4 7082 B16R2.2976 C[C@@H](O)CNC1CCc2c1ccc(c2)Cl 2230a_100000743821_100009817552 [0,2,0,0,0,0|0,0,2]=4 7083 B16R2.2976 C[C@@H](O)CNC1CCc2c1ccc(c2)Cl 34a_100000743821_100009817552 [0,2,0,0,0,0|0,0,2]=4 7084 B16R2.2976 C[C@@H](O)CN[C@@H]1CCc2c1ccc(c2)F 2230a_100025717273_100009817552 [0,2,0,0,0,0|0,0,2]=4 7085 B16R2.2976 C[C@@H](O)CN[C@@H]1CCc2c1ccc(c2)F 34a_100025717273_100009817552 [0,2,0,0,0,0|0,0,2]=4 7086 B16R2.2976 Cc1ccc2c(c1)CCC2NCC(=O)N 2230a_200000746848_100000747473 [0,2,0,0,0,0|1,0,1]=4 7087 B16R2.2976 Cc1ccc2c(c1)CCC2NCC(=O)N 34a_200000746848_100000187820 [0,2,0,0,0,0|1,0,1]=4 7088 B16R2.2976 Cc1ccc2c(c1)CCC2NCC(=O)[O-] 34a_200000746848_100020667443 [0,2,0,0,0,0|1,0,1]=4 7089 B16R2.2976 Cc1ccc2c(c1)CCC2NCC(C)C 2230a_200000746848_100000210760 [0,2,0,0,0,0|0,0,2]=4 7090 B16R2.2976 Cc1ccc2c(c1)CCC2NCC(C)C 269862a_100000210953_100000743249 [0,2,0,0,0,0|0,0,2]=4 7091 B16R2.2976 Cc1ccc2c(c1)CCC2NCC(C)C 270004a_200000746848_100000210432 [0,2,0,0,0,0|0,0,2]=4 7092 B16R2.2976 Cc1ccc2c(c1)CCC2NCC(C)C 34a_200000746848_100000210624 [0,2,0,0,0,0|0,0,2]=4 7093 B16R2.2976 Cc1ccc2c(c1)CCC2NCC(C)O 2230a_200000746848_100011218427 [0,2,0,0,0,0|0,0,2]=4 7094 B16R2.2976 Cc1ccc2c(c1)CCC2NCC(C)O 269862a_100000210904_100000743249 [0,2,0,0,0,0|0,0,2]=4 7095 B16R2.2976 Cc1ccc2c(c1)CCC2NCC(C)O 34a_200000746848_100011218427 [0,2,0,0,0,0|0,0,2]=4 7096 B16R2.2976 Cc1ccc2c(c1)CCC2NCC(F)F 2230a_200000746848_100011934356 [0,2,0,0,0,0|1,0,1]=4 7097 B16R2.2976 Cc1ccc2c(c1)CCC2NCC(F)F 34a_200000746848_100011934356 [0,2,0,0,0,0|1,0,1]=4 7098 B16R2.2976 Cc1ccc2c(c1)CCC2NC[C@@H](C)O 2230a_200000746848_100009817552 [0,2,0,0,0,0|0,0,2]=4 7099 B16R2.2976 Cc1ccc2c(c1)CCC2NC[C@@H](C)O 34a_200000746848_100009817552 [0,2,0,0,0,0|0,0,2]=4 7100 B16R2.2976 Cc1ccc2c(c1)CCC2NC[N+](=O)[O-] 34a_200000746848_100000761209 [0,2,0,0,0,0|2,0,0]=4 7101 B16R2.2976 FC(F)CNC1CCc2c1ccc(c2)Br 2230a_100000744021_100011934356 [0,2,0,0,0,0|1,0,1]=4 7102 B16R2.2976 FC(F)CNC1CCc2c1ccc(c2)Br 34a_100000744021_100011934356 [0,2,0,0,0,0|1,0,1]=4 7103 B16R2.2976 FC(F)CNC1CCc2c1ccc(c2)Cl 2230a_100000743821_100011934356 [0,2,0,0,0,0|1,0,1]=4 7104 B16R2.2976 FC(F)CNC1CCc2c1ccc(c2)Cl 34a_100000743821_100011934356 [0,2,0,0,0,0|1,0,1]=4 7105 B16R2.2976 Fc1ccc2c(c1)CC[C@H]2NCC(F)F 2230a_100025717273_100011934356 [0,2,0,0,0,0|1,0,1]=4 7106 B16R2.2976 Fc1ccc2c(c1)CC[C@H]2NCC(F)F 34a_100025717273_100011934356 [0,2,0,0,0,0|1,0,1]=4 7107 B16R2.2976 NC(=O)CNC1CCc2c1ccc(c2)Br 2230a_100000744021_100000747473 [0,2,0,0,0,0|1,0,1]=4 7108 B16R2.2976 NC(=O)CNC1CCc2c1ccc(c2)Br 34a_100000744021_100000187820 [0,2,0,0,0,0|1,0,1]=4 7109 B16R2.2976 NC(=O)CNC1CCc2c1ccc(c2)Cl 2230a_100000743821_100000747473 [0,2,0,0,0,0|1,0,1]=4 7110 B16R2.2976 NC(=O)CNC1CCc2c1ccc(c2)Cl 34a_100000743821_100000187820 [0,2,0,0,0,0|1,0,1]=4 7111 B16R2.2976 NC(=O)CN[C@@H]1CCc2c1ccc(c2)F 2230a_100025717273_100000747473 [0,2,0,0,0,0|1,0,1]=4 7112 B16R2.2976 NC(=O)CN[C@@H]1CCc2c1ccc(c2)F 34a_100025717273_100000187820 [0,2,0,0,0,0|1,0,1]=4 7113 B16R2.2976 O=C([O-])CNC1CCc2c1ccc(c2)Br 34a_100000744021_100020667443 [0,2,0,0,0,0|1,0,1]=4 7114 B16R2.2976 O=C([O-])CNC1CCc2c1ccc(c2)Cl 34a_100000743821_100020667443 [0,2,0,0,0,0|1,0,1]=4 7115 B16R2.2976 O=C([O-])CN[C@@H]1CCc2c1ccc(c2)F 34a_100025717273_100020667443 [0,2,0,0,0,0|1,0,1]=4 7116 B16R2.2976 O=[N+]([O-])CNC1CCc2c1ccc(c2)Br 34a_100000744021_100000761209 [0,2,0,0,0,0|2,0,0]=4 7117 B16R2.2976 O=[N+]([O-])CNC1CCc2c1ccc(c2)Cl 34a_100000743821_100000761209 [0,2,0,0,0,0|2,0,0]=4 7118 B16R2.2976 O=[N+]([O-])CN[C@@H]1CCc2c1ccc(c2)F 34a_100025717273_100000761209 [0,2,0,0,0,0|2,0,0]=4 7119 B16R2.4003 C=C(C)CN[C@H]1c2ccccc2C[C@H]1O 2230a_100000744645_100000748629 [0,2,0,0,0,0|0,0,2]=4 7120 B16R2.4003 C=C(F)CN[C@H]1c2ccccc2C[C@H]1O 2230a_100000744645_100009893438 [0,2,0,0,0,0|0,0,2]=4 7121 B16R2.4003 CC(C)CN[C@H]1c2ccccc2C[C@H]1O 2230a_100000744645_100000210760 [0,2,0,0,0,0|0,0,2]=4 7122 B16R2.4003 CC(C)CN[C@H]1c2ccccc2C[C@H]1O 270004a_100000744645_100000210432 [0,2,0,0,0,0|0,0,2]=4 7123 B16R2.4003 CC(O)CN[C@H]1c2ccccc2C[C@H]1O 2230a_100000744645_100011218427 [0,2,0,0,0,0|0,0,2]=4 7124 B16R2.4003 C[C@@H](O)CN[C@H]1c2ccccc2C[C@H]1O 2230a_100000744645_100009817552 [0,2,0,0,0,0|0,0,2]=4 7125 B16R2.4003 NC(=O)CN[C@H]1c2ccccc2C[C@H]1O 2230a_100000744645_100000747473 [0,2,0,0,0,0|1,0,1]=4 7126 B16R2.4003 O[C@@H]1Cc2ccccc2[C@@H]1NCC(F)F 2230a_100000744645_100011934356 [0,2,0,0,0,0|1,0,1]=4 7127 B16R2.15551 C=C(C)CNC1CCc2c1cc(cc2)Br 2230a_100011435097_100000748629 [0,2,0,0,0,0|0,0,2]=4 7128 B16R2.15551 C=C(C)CNC1CCc2c1cc(cc2)Br 34a_100011435097_100000748629 [0,2,0,0,0,0|0,0,2]=4 7129 B16R2.15551 C=C(C)CNC1CCc2c1cc(cc2)Cl 2230a_100016987686_100000748629 [0,2,0,0,0,0|0,0,2]=4 7130 B16R2.15551 C=C(C)CNC1CCc2c1cc(cc2)Cl 34a_100016987686_100000748629 [0,2,0,0,0,0|0,0,2]=4 7131 B16R2.15551 C=C(C)CNC1CCc2c1cc(cc2)F 2230a_100000752734_100000748629 [0,2,0,0,0,0|0,0,2]=4 7132 B16R2.15551 C=C(C)CNC1CCc2c1cc(cc2)F 34a_100000752734_100000748629 [0,2,0,0,0,0|0,0,2]=4 7133 B16R2.15551 C=C(F)CNC1CCc2c1cc(cc2)Br 2230a_100011435097_100009893438 [0,2,0,0,0,0|0,0,2]=4 7134 B16R2.15551 C=C(F)CNC1CCc2c1cc(cc2)Br 34a_100011435097_100009893438 [0,2,0,0,0,0|0,0,2]=4 7135 B16R2.15551 C=C(F)CNC1CCc2c1cc(cc2)Cl 2230a_100016987686_100009893438 [0,2,0,0,0,0|0,0,2]=4 7136 B16R2.15551 C=C(F)CNC1CCc2c1cc(cc2)Cl 34a_100016987686_100009893438 [0,2,0,0,0,0|0,0,2]=4 7137 B16R2.15551 C=C(F)CNC1CCc2c1cc(cc2)F 2230a_100000752734_100009893438 [0,2,0,0,0,0|0,0,2]=4 7138 B16R2.15551 C=C(F)CNC1CCc2c1cc(cc2)F 34a_100000752734_100009893438 [0,2,0,0,0,0|0,0,2]=4 7139 B16R2.15551 CC(C)CNC1CCc2c1cc(cc2)Br 2230a_100011435097_100000210760 [0,2,0,0,0,0|0,0,2]=4 7140 B16R2.15551 CC(C)CNC1CCc2c1cc(cc2)Br 269862a_100000210953_100000759401 [0,2,0,0,0,0|0,0,2]=4 7141 B16R2.15551 CC(C)CNC1CCc2c1cc(cc2)Br 270004a_100011435097_100000210432 [0,2,0,0,0,0|0,0,2]=4 7142 B16R2.15551 CC(C)CNC1CCc2c1cc(cc2)Br 34a_100011435097_100000210624 [0,2,0,0,0,0|0,0,2]=4 7143 B16R2.15551 CC(C)CNC1CCc2c1cc(cc2)Cl 2230a_100016987686_100000210760 [0,2,0,0,0,0|0,0,2]=4 7144 B16R2.15551 CC(C)CNC1CCc2c1cc(cc2)Cl 269862a_100000210953_100000759629 [0,2,0,0,0,0|0,0,2]=4 7145 B16R2.15551 CC(C)CNC1CCc2c1cc(cc2)Cl 270004a_100016987686_100000210432 [0,2,0,0,0,0|0,0,2]=4 7146 B16R2.15551 CC(C)CNC1CCc2c1cc(cc2)Cl 34a_100016987686_100000210624 [0,2,0,0,0,0|0,0,2]=4 7147 B16R2.15551 CC(C)CNC1CCc2c1cc(cc2)F 2230a_100000752734_100000210760 [0,2,0,0,0,0|0,0,2]=4 7148 B16R2.15551 CC(C)CNC1CCc2c1cc(cc2)F 269862a_100000210953_100000759630 [0,2,0,0,0,0|0,0,2]=4 7149 B16R2.15551 CC(C)CNC1CCc2c1cc(cc2)F 270004a_100000752734_100000210432 [0,2,0,0,0,0|0,0,2]=4 7150 B16R2.15551 CC(C)CNC1CCc2c1cc(cc2)F 34a_100000752734_100000210624 [0,2,0,0,0,0|0,0,2]=4 7151 B16R2.15551 CC(C)CNC1CCc2c1cc(cc2)I 269862a_100000210953_100011356848 [0,2,0,0,0,0|0,0,2]=4 7152 B16R2.15551 CC(O)CNC1CCc2c1cc(cc2)Br 2230a_100011435097_100011218427 [0,2,0,0,0,0|0,0,2]=4 7153 B16R2.15551 CC(O)CNC1CCc2c1cc(cc2)Br 269862a_100000210904_100000759401 [0,2,0,0,0,0|0,0,2]=4 7154 B16R2.15551 CC(O)CNC1CCc2c1cc(cc2)Br 34a_100011435097_100011218427 [0,2,0,0,0,0|0,0,2]=4 7155 B16R2.15551 CC(O)CNC1CCc2c1cc(cc2)Cl 2230a_100016987686_100011218427 [0,2,0,0,0,0|0,0,2]=4 7156 B16R2.15551 CC(O)CNC1CCc2c1cc(cc2)Cl 269862a_100000210904_100000759629 [0,2,0,0,0,0|0,0,2]=4 7157 B16R2.15551 CC(O)CNC1CCc2c1cc(cc2)Cl 34a_100016987686_100011218427 [0,2,0,0,0,0|0,0,2]=4 7158 B16R2.15551 CC(O)CNC1CCc2c1cc(cc2)F 2230a_100000752734_100011218427 [0,2,0,0,0,0|0,0,2]=4 7159 B16R2.15551 CC(O)CNC1CCc2c1cc(cc2)F 269862a_100000210904_100000759630 [0,2,0,0,0,0|0,0,2]=4 7160 B16R2.15551 CC(O)CNC1CCc2c1cc(cc2)F 34a_100000752734_100011218427 [0,2,0,0,0,0|0,0,2]=4 7161 B16R2.15551 CC(O)CNC1CCc2c1cc(cc2)I 269862a_100000210904_100011356848 [0,2,0,0,0,0|0,0,2]=4 7162 B16R2.15551 C[C@@H](O)CNC1CCc2c1cc(cc2)Br 2230a_100011435097_100009817552 [0,2,0,0,0,0|0,0,2]=4 7163 B16R2.15551 C[C@@H](O)CNC1CCc2c1cc(cc2)Br 34a_100011435097_100009817552 [0,2,0,0,0,0|0,0,2]=4 7164 B16R2.15551 C[C@@H](O)CNC1CCc2c1cc(cc2)Cl 2230a_100016987686_100009817552 [0,2,0,0,0,0|0,0,2]=4 7165 B16R2.15551 C[C@@H](O)CNC1CCc2c1cc(cc2)Cl 34a_100016987686_100009817552 [0,2,0,0,0,0|0,0,2]=4 7166 B16R2.15551 C[C@@H](O)CNC1CCc2c1cc(cc2)F 2230a_100000752734_100009817552 [0,2,0,0,0,0|0,0,2]=4 7167 B16R2.15551 C[C@@H](O)CNC1CCc2c1cc(cc2)F 34a_100000752734_100009817552 [0,2,0,0,0,0|0,0,2]=4 7168 B16R2.15551 Cc1ccc2c(c1)C(CC2)NCC(C)C 269862a_100000210953_100000753597 [0,2,0,0,0,0|0,0,2]=4 7169 B16R2.15551 Cc1ccc2c(c1)C(CC2)NCC(C)O 269862a_100000210904_100000753597 [0,2,0,0,0,0|0,0,2]=4 7170 B16R2.15551 FC(F)CNC1CCc2c1cc(cc2)Br 2230a_100011435097_100011934356 [0,2,0,0,0,0|1,0,1]=4 7171 B16R2.15551 FC(F)CNC1CCc2c1cc(cc2)Br 34a_100011435097_100011934356 [0,2,0,0,0,0|1,0,1]=4 7172 B16R2.15551 FC(F)CNC1CCc2c1cc(cc2)Cl 2230a_100016987686_100011934356 [0,2,0,0,0,0|1,0,1]=4 7173 B16R2.15551 FC(F)CNC1CCc2c1cc(cc2)Cl 34a_100016987686_100011934356 [0,2,0,0,0,0|1,0,1]=4 7174 B16R2.15551 Fc1ccc2c(c1)C(CC2)NCC(F)F 2230a_100000752734_100011934356 [0,2,0,0,0,0|1,0,1]=4 7175 B16R2.15551 Fc1ccc2c(c1)C(CC2)NCC(F)F 34a_100000752734_100011934356 [0,2,0,0,0,0|1,0,1]=4 7176 B16R2.15551 NC(=O)CNC1CCc2c1cc(cc2)Br 2230a_100011435097_100000747473 [0,2,0,0,0,0|1,0,1]=4 7177 B16R2.15551 NC(=O)CNC1CCc2c1cc(cc2)Br 34a_100011435097_100000187820 [0,2,0,0,0,0|1,0,1]=4 7178 B16R2.15551 NC(=O)CNC1CCc2c1cc(cc2)Cl 2230a_100016987686_100000747473 [0,2,0,0,0,0|1,0,1]=4 7179 B16R2.15551 NC(=O)CNC1CCc2c1cc(cc2)Cl 34a_100016987686_100000187820 [0,2,0,0,0,0|1,0,1]=4 7180 B16R2.15551 NC(=O)CNC1CCc2c1cc(cc2)F 2230a_100000752734_100000747473 [0,2,0,0,0,0|1,0,1]=4 7181 B16R2.15551 NC(=O)CNC1CCc2c1cc(cc2)F 34a_100000752734_100000187820 [0,2,0,0,0,0|1,0,1]=4 7182 B16R2.15551 O=C([O-])CNC1CCc2c1cc(cc2)Br 34a_100011435097_100020667443 [0,2,0,0,0,0|1,0,1]=4 7183 B16R2.15551 O=C([O-])CNC1CCc2c1cc(cc2)Cl 34a_100016987686_100020667443 [0,2,0,0,0,0|1,0,1]=4 7184 B16R2.15551 O=C([O-])CNC1CCc2c1cc(cc2)F 34a_100000752734_100020667443 [0,2,0,0,0,0|1,0,1]=4 7185 B16R2.15551 O=[N+]([O-])CNC1CCc2c1cc(cc2)Br 34a_100011435097_100000761209 [0,2,0,0,0,0|2,0,0]=4 7186 B16R2.15551 O=[N+]([O-])CNC1CCc2c1cc(cc2)Cl 34a_100016987686_100000761209 [0,2,0,0,0,0|2,0,0]=4 7187 B16R2.15551 O=[N+]([O-])CNC1CCc2c1cc(cc2)F 34a_100000752734_100000761209 [0,2,0,0,0,0|2,0,0]=4 7188 B16R2.22833 C=C(C)CNC1CCc2c1cccc2Br 2230a_100000751068_100000748629 [0,2,0,0,0,0|0,0,2]=4 7189 B16R2.22833 C=C(C)CNC1CCc2c1cccc2Br 34a_100000751068_100000748629 [0,2,0,0,0,0|0,0,2]=4 7190 B16R2.22833 C=C(C)CNC1CCc2c1cccc2Cl 2230a_100000743989_100000748629 [0,2,0,0,0,0|0,0,2]=4 7191 B16R2.22833 C=C(C)CNC1CCc2c1cccc2Cl 34a_100000743989_100000748629 [0,2,0,0,0,0|0,0,2]=4 7192 B16R2.22833 C=C(C)CN[C@H]1CCc2c1cccc2C 2230a_100134618347_100000748629 [0,2,0,0,0,0|0,0,2]=4 7193 B16R2.22833 C=C(C)CN[C@H]1CCc2c1cccc2C 34a_100134618347_100000748629 [0,2,0,0,0,0|0,0,2]=4 7194 B16R2.22833 C=C(C)CN[C@H]1CCc2c1cccc2F 2230a_100015193782_100000748629 [0,2,0,0,0,0|0,0,2]=4 7195 B16R2.22833 C=C(C)CN[C@H]1CCc2c1cccc2F 34a_100015193782_100000748629 [0,2,0,0,0,0|0,0,2]=4 7196 B16R2.22833 C=C(C)CN[C@H]1CCc2c1cccc2O 2230a_100134616730_100000748629 [0,2,0,0,0,0|0,0,2]=4 7197 B16R2.22833 C=C(C)CN[C@H]1CCc2c1cccc2O 34a_100134616730_100000748629 [0,2,0,0,0,0|0,0,2]=4 7198 B16R2.22833 C=C(F)CNC1CCc2c1cccc2Br 2230a_100000751068_100009893438 [0,2,0,0,0,0|0,0,2]=4 7199 B16R2.22833 C=C(F)CNC1CCc2c1cccc2Br 34a_100000751068_100009893438 [0,2,0,0,0,0|0,0,2]=4 7200 B16R2.22833 C=C(F)CNC1CCc2c1cccc2Cl 2230a_100000743989_100009893438 [0,2,0,0,0,0|0,0,2]=4 7201 B16R2.22833 C=C(F)CNC1CCc2c1cccc2Cl 34a_100000743989_100009893438 [0,2,0,0,0,0|0,0,2]=4 7202 B16R2.22833 C=C(F)CN[C@H]1CCc2c1cccc2C 2230a_100134618347_100009893438 [0,2,0,0,0,0|0,0,2]=4 7203 B16R2.22833 C=C(F)CN[C@H]1CCc2c1cccc2C 34a_100134618347_100009893438 [0,2,0,0,0,0|0,0,2]=4 7204 B16R2.22833 C=C(F)CN[C@H]1CCc2c1cccc2F 2230a_100015193782_100009893438 [0,2,0,0,0,0|0,0,2]=4 7205 B16R2.22833 C=C(F)CN[C@H]1CCc2c1cccc2F 34a_100015193782_100009893438 [0,2,0,0,0,0|0,0,2]=4 7206 B16R2.22833 C=C(F)CN[C@H]1CCc2c1cccc2O 2230a_100134616730_100009893438 [0,2,0,0,0,0|0,0,2]=4 7207 B16R2.22833 C=C(F)CN[C@H]1CCc2c1cccc2O 34a_100134616730_100009893438 [0,2,0,0,0,0|0,0,2]=4 7208 B16R2.22833 CC(C)CNC1CCc2c1cccc2Br 2230a_100000751068_100000210760 [0,2,0,0,0,0|0,0,2]=4 7209 B16R2.22833 CC(C)CNC1CCc2c1cccc2Br 269862a_100000210953_100000744605 [0,2,0,0,0,0|0,0,2]=4 7210 B16R2.22833 CC(C)CNC1CCc2c1cccc2Br 270004a_100000751068_100000210432 [0,2,0,0,0,0|0,0,2]=4 7211 B16R2.22833 CC(C)CNC1CCc2c1cccc2Br 34a_100000751068_100000210624 [0,2,0,0,0,0|0,0,2]=4 7212 B16R2.22833 CC(C)CNC1CCc2c1cccc2Cl 2230a_100000743989_100000210760 [0,2,0,0,0,0|0,0,2]=4 7213 B16R2.22833 CC(C)CNC1CCc2c1cccc2Cl 269862a_100000210953_100000743251 [0,2,0,0,0,0|0,0,2]=4 7214 B16R2.22833 CC(C)CNC1CCc2c1cccc2Cl 270004a_100000743989_100000210432 [0,2,0,0,0,0|0,0,2]=4 7215 B16R2.22833 CC(C)CNC1CCc2c1cccc2Cl 34a_100000743989_100000210624 [0,2,0,0,0,0|0,0,2]=4 7216 B16R2.22833 CC(C)CNC1CCc2c1cccc2F 269862a_100000210953_100000743250 [0,2,0,0,0,0|0,0,2]=4 7217 B16R2.22833 CC(C)CNC1CCc2c1cccc2I 269862a_100000210953_100000049675 [0,2,0,0,0,0|0,0,2]=4 7218 B16R2.22833 CC(C)CN[C@H]1CCc2c1cccc2F 2230a_100015193782_100000210760 [0,2,0,0,0,0|0,0,2]=4 7219 B16R2.22833 CC(C)CN[C@H]1CCc2c1cccc2F 270004a_100015193782_100000210432 [0,2,0,0,0,0|0,0,2]=4 7220 B16R2.22833 CC(C)CN[C@H]1CCc2c1cccc2F 34a_100015193782_100000210624 [0,2,0,0,0,0|0,0,2]=4 7221 B16R2.22833 CC(C)CN[C@H]1CCc2c1cccc2O 2230a_100134616730_100000210760 [0,2,0,0,0,0|0,0,2]=4 7222 B16R2.22833 CC(C)CN[C@H]1CCc2c1cccc2O 270004a_100134616730_100000210432 [0,2,0,0,0,0|0,0,2]=4 7223 B16R2.22833 CC(C)CN[C@H]1CCc2c1cccc2O 34a_100134616730_100000210624 [0,2,0,0,0,0|0,0,2]=4 7224 B16R2.22833 CC(O)CNC1CCc2c1cccc2Br 2230a_100000751068_100011218427 [0,2,0,0,0,0|0,0,2]=4 7225 B16R2.22833 CC(O)CNC1CCc2c1cccc2Br 269862a_100000210904_100000744605 [0,2,0,0,0,0|0,0,2]=4 7226 B16R2.22833 CC(O)CNC1CCc2c1cccc2Br 34a_100000751068_100011218427 [0,2,0,0,0,0|0,0,2]=4 7227 B16R2.22833 CC(O)CNC1CCc2c1cccc2Cl 2230a_100000743989_100011218427 [0,2,0,0,0,0|0,0,2]=4 7228 B16R2.22833 CC(O)CNC1CCc2c1cccc2Cl 269862a_100000210904_100000743251 [0,2,0,0,0,0|0,0,2]=4 7229 B16R2.22833 CC(O)CNC1CCc2c1cccc2Cl 34a_100000743989_100011218427 [0,2,0,0,0,0|0,0,2]=4 7230 B16R2.22833 CC(O)CNC1CCc2c1cccc2F 269862a_100000210904_100000743250 [0,2,0,0,0,0|0,0,2]=4 7231 B16R2.22833 CC(O)CNC1CCc2c1cccc2I 269862a_100000210904_100000049675 [0,2,0,0,0,0|0,0,2]=4 7232 B16R2.22833 CC(O)CN[C@H]1CCc2c1cccc2F 2230a_100015193782_100011218427 [0,2,0,0,0,0|0,0,2]=4 7233 B16R2.22833 CC(O)CN[C@H]1CCc2c1cccc2F 34a_100015193782_100011218427 [0,2,0,0,0,0|0,0,2]=4 7234 B16R2.22833 CC(O)CN[C@H]1CCc2c1cccc2O 2230a_100134616730_100011218427 [0,2,0,0,0,0|0,0,2]=4 7235 B16R2.22833 CC(O)CN[C@H]1CCc2c1cccc2O 34a_100134616730_100011218427 [0,2,0,0,0,0|0,0,2]=4 7236 B16R2.22833 C[C@@H](O)CNC1CCc2c1cccc2Br 2230a_100000751068_100009817552 [0,2,0,0,0,0|0,0,2]=4 7237 B16R2.22833 C[C@@H](O)CNC1CCc2c1cccc2Br 34a_100000751068_100009817552 [0,2,0,0,0,0|0,0,2]=4 7238 B16R2.22833 C[C@@H](O)CNC1CCc2c1cccc2Cl 2230a_100000743989_100009817552 [0,2,0,0,0,0|0,0,2]=4 7239 B16R2.22833 C[C@@H](O)CNC1CCc2c1cccc2Cl 34a_100000743989_100009817552 [0,2,0,0,0,0|0,0,2]=4 7240 B16R2.22833 C[C@@H](O)CN[C@H]1CCc2c1cccc2F 2230a_100015193782_100009817552 [0,2,0,0,0,0|0,0,2]=4 7241 B16R2.22833 C[C@@H](O)CN[C@H]1CCc2c1cccc2F 34a_100015193782_100009817552 [0,2,0,0,0,0|0,0,2]=4 7242 B16R2.22833 C[C@@H](O)CN[C@H]1CCc2c1cccc2O 2230a_100134616730_100009817552 [0,2,0,0,0,0|0,0,2]=4 7243 B16R2.22833 C[C@@H](O)CN[C@H]1CCc2c1cccc2O 34a_100134616730_100009817552 [0,2,0,0,0,0|0,0,2]=4 7244 B16R2.22833 Cc1cccc2c1CCC2NCC(C)C 269862a_100000210953_100000752022 [0,2,0,0,0,0|0,0,2]=4 7245 B16R2.22833 Cc1cccc2c1CCC2NCC(C)O 269862a_100000210904_100000752022 [0,2,0,0,0,0|0,0,2]=4 7246 B16R2.22833 Cc1cccc2c1CC[C@@H]2NCC(=O)N 2230a_100134618347_100000747473 [0,2,0,0,0,0|1,0,1]=4 7247 B16R2.22833 Cc1cccc2c1CC[C@@H]2NCC(=O)N 34a_100134618347_100000187820 [0,2,0,0,0,0|1,0,1]=4 7248 B16R2.22833 Cc1cccc2c1CC[C@@H]2NCC(=O)[O-] 34a_100134618347_100020667443 [0,2,0,0,0,0|1,0,1]=4 7249 B16R2.22833 Cc1cccc2c1CC[C@@H]2NCC(C)C 2230a_100134618347_100000210760 [0,2,0,0,0,0|0,0,2]=4 7250 B16R2.22833 Cc1cccc2c1CC[C@@H]2NCC(C)C 270004a_100134618347_100000210432 [0,2,0,0,0,0|0,0,2]=4 7251 B16R2.22833 Cc1cccc2c1CC[C@@H]2NCC(C)C 34a_100134618347_100000210624 [0,2,0,0,0,0|0,0,2]=4 7252 B16R2.22833 Cc1cccc2c1CC[C@@H]2NCC(C)O 2230a_100134618347_100011218427 [0,2,0,0,0,0|0,0,2]=4 7253 B16R2.22833 Cc1cccc2c1CC[C@@H]2NCC(C)O 34a_100134618347_100011218427 [0,2,0,0,0,0|0,0,2]=4 7254 B16R2.22833 Cc1cccc2c1CC[C@@H]2NCC(F)F 2230a_100134618347_100011934356 [0,2,0,0,0,0|1,0,1]=4 7255 B16R2.22833 Cc1cccc2c1CC[C@@H]2NCC(F)F 34a_100134618347_100011934356 [0,2,0,0,0,0|1,0,1]=4 7256 B16R2.22833 Cc1cccc2c1CC[C@@H]2NC[C@@H](C)O 2230a_100134618347_100009817552 [0,2,0,0,0,0|0,0,2]=4 7257 B16R2.22833 Cc1cccc2c1CC[C@@H]2NC[C@@H](C)O 34a_100134618347_100009817552 [0,2,0,0,0,0|0,0,2]=4 7258 B16R2.22833 Cc1cccc2c1CC[C@@H]2NC[N+](=O)[O-] 34a_100134618347_100000761209 [0,2,0,0,0,0|2,0,0]=4 7259 B16R2.22833 FC(F)CNC1CCc2c1cccc2Br 2230a_100000751068_100011934356 [0,2,0,0,0,0|1,0,1]=4 7260 B16R2.22833 FC(F)CNC1CCc2c1cccc2Br 34a_100000751068_100011934356 [0,2,0,0,0,0|1,0,1]=4 7261 B16R2.22833 FC(F)CNC1CCc2c1cccc2Cl 2230a_100000743989_100011934356 [0,2,0,0,0,0|1,0,1]=4 7262 B16R2.22833 FC(F)CNC1CCc2c1cccc2Cl 34a_100000743989_100011934356 [0,2,0,0,0,0|1,0,1]=4 7263 B16R2.22833 Fc1cccc2c1CC[C@@H]2NCC(F)F 2230a_100015193782_100011934356 [0,2,0,0,0,0|1,0,1]=4 7264 B16R2.22833 Fc1cccc2c1CC[C@@H]2NCC(F)F 34a_100015193782_100011934356 [0,2,0,0,0,0|1,0,1]=4 7265 B16R2.22833 NC(=O)CNC1CCc2c1cccc2Br 2230a_100000751068_100000747473 [0,2,0,0,0,0|1,0,1]=4 7266 B16R2.22833 NC(=O)CNC1CCc2c1cccc2Br 34a_100000751068_100000187820 [0,2,0,0,0,0|1,0,1]=4 7267 B16R2.22833 NC(=O)CNC1CCc2c1cccc2Cl 2230a_100000743989_100000747473 [0,2,0,0,0,0|1,0,1]=4 7268 B16R2.22833 NC(=O)CNC1CCc2c1cccc2Cl 34a_100000743989_100000187820 [0,2,0,0,0,0|1,0,1]=4 7269 B16R2.22833 NC(=O)CN[C@H]1CCc2c1cccc2F 2230a_100015193782_100000747473 [0,2,0,0,0,0|1,0,1]=4 7270 B16R2.22833 NC(=O)CN[C@H]1CCc2c1cccc2F 34a_100015193782_100000187820 [0,2,0,0,0,0|1,0,1]=4 7271 B16R2.22833 NC(=O)CN[C@H]1CCc2c1cccc2O 2230a_100134616730_100000747473 [0,2,0,0,0,0|1,0,1]=4 7272 B16R2.22833 NC(=O)CN[C@H]1CCc2c1cccc2O 34a_100134616730_100000187820 [0,2,0,0,0,0|1,0,1]=4 7273 B16R2.22833 O=C([O-])CNC1CCc2c1cccc2Br 34a_100000751068_100020667443 [0,2,0,0,0,0|1,0,1]=4 7274 B16R2.22833 O=C([O-])CNC1CCc2c1cccc2Cl 34a_100000743989_100020667443 [0,2,0,0,0,0|1,0,1]=4 7275 B16R2.22833 O=C([O-])CN[C@H]1CCc2c1cccc2F 34a_100015193782_100020667443 [0,2,0,0,0,0|1,0,1]=4 7276 B16R2.22833 O=C([O-])CN[C@H]1CCc2c1cccc2O 34a_100134616730_100020667443 [0,2,0,0,0,0|1,0,1]=4 7277 B16R2.22833 O=[N+]([O-])CNC1CCc2c1cccc2Br 34a_100000751068_100000761209 [0,2,0,0,0,0|2,0,0]=4 7278 B16R2.22833 O=[N+]([O-])CNC1CCc2c1cccc2Cl 34a_100000743989_100000761209 [0,2,0,0,0,0|2,0,0]=4 7279 B16R2.22833 O=[N+]([O-])CN[C@H]1CCc2c1cccc2F 34a_100015193782_100000761209 [0,2,0,0,0,0|2,0,0]=4 7280 B16R2.22833 O=[N+]([O-])CN[C@H]1CCc2c1cccc2O 34a_100134616730_100000761209 [0,2,0,0,0,0|2,0,0]=4 7281 B16R2.22833 Oc1cccc2c1CC[C@@H]2NCC(F)F 2230a_100134616730_100011934356 [0,2,0,0,0,0|1,0,1]=4 7282 B16R2.22833 Oc1cccc2c1CC[C@@H]2NCC(F)F 34a_100134616730_100011934356 [0,2,0,0,0,0|1,0,1]=4 7283 B16R2.22904 C=C(C)CNC1CCc2c1c(ccc2)Br 2230a_100103168669_100000748629 [0,2,0,0,0,0|0,0,2]=4 7284 B16R2.22904 C=C(C)CNC1CCc2c1c(ccc2)Br 34a_100103168669_100000748629 [0,2,0,0,0,0|0,0,2]=4 7285 B16R2.22904 C=C(F)CNC1CCc2c1c(ccc2)Br 2230a_100103168669_100009893438 [0,2,0,0,0,0|0,0,2]=4 7286 B16R2.22904 C=C(F)CNC1CCc2c1c(ccc2)Br 34a_100103168669_100009893438 [0,2,0,0,0,0|0,0,2]=4 7287 B16R2.22904 CC(C)CNC1CCc2c1c(ccc2)Br 2230a_100103168669_100000210760 [0,2,0,0,0,0|0,0,2]=4 7288 B16R2.22904 CC(C)CNC1CCc2c1c(ccc2)Br 270004a_100103168669_100000210432 [0,2,0,0,0,0|0,0,2]=4 7289 B16R2.22904 CC(C)CNC1CCc2c1c(ccc2)Br 34a_100103168669_100000210624 [0,2,0,0,0,0|0,0,2]=4 7290 B16R2.22904 CC(O)CNC1CCc2c1c(ccc2)Br 2230a_100103168669_100011218427 [0,2,0,0,0,0|0,0,2]=4 7291 B16R2.22904 CC(O)CNC1CCc2c1c(ccc2)Br 34a_100103168669_100011218427 [0,2,0,0,0,0|0,0,2]=4 7292 B16R2.22904 C[C@@H](O)CNC1CCc2c1c(ccc2)Br 2230a_100103168669_100009817552 [0,2,0,0,0,0|0,0,2]=4 7293 B16R2.22904 C[C@@H](O)CNC1CCc2c1c(ccc2)Br 34a_100103168669_100009817552 [0,2,0,0,0,0|0,0,2]=4 7294 B16R2.22904 FC(F)CNC1CCc2c1c(ccc2)Br 2230a_100103168669_100011934356 [0,2,0,0,0,0|1,0,1]=4 7295 B16R2.22904 FC(F)CNC1CCc2c1c(ccc2)Br 34a_100103168669_100011934356 [0,2,0,0,0,0|1,0,1]=4 7296 B16R2.22904 NC(=O)CNC1CCc2c1c(ccc2)Br 2230a_100103168669_100000747473 [0,2,0,0,0,0|1,0,1]=4 7297 B16R2.22904 NC(=O)CNC1CCc2c1c(ccc2)Br 34a_100103168669_100000187820 [0,2,0,0,0,0|1,0,1]=4 7298 B16R2.22904 O=C([O-])CNC1CCc2c1c(ccc2)Br 34a_100103168669_100020667443 [0,2,0,0,0,0|1,0,1]=4 7299 B16R2.22904 O=[N+]([O-])CNC1CCc2c1c(ccc2)Br 34a_100103168669_100000761209 [0,2,0,0,0,0|2,0,0]=4 7300 B16R2.104522 CC(C)CNC1CC(c2c1cccc2)C 269862a_100000210953_100000750356 [0,2,0,0,0,0|0,0,2]=4 7301 B16R2.104522 CC(O)CNC1CC(c2c1cccc2)C 269862a_100000210904_100000750356 [0,2,0,0,0,0|0,0,2]=4 7302 B16R2.89 C#CCNC1CCc2c1cccc2OC 2230a_100000687940_100000038162 [0,2,0,0,0,0|0,0,0]=2 7303 B16R2.89 C#CCNC1CCc2c1cccc2OC 34a_100000687940_100000184674 [0,2,0,0,0,0|0,0,0]=2 7304 B16R2.89 C#CCN[C@H]1CCc2c1cccc2C#N 2230a_100015425854_100000038162 [0,2,0,0,0,0|0,0,0]=2 7305 B16R2.89 C#CCN[C@H]1CCc2c1cccc2C#N 34a_100015425854_100000184674 [0,2,0,0,0,0|0,0,0]=2 7306 B16R2.89 C=CCNC1CCc2c1cccc2OC 2230a_100000687940_100000210623 [0,2,0,0,0,0|0,0,2]=4 7307 B16R2.89 C=CCNC1CCc2c1cccc2OC 34a_100000687940_100015514636 [0,2,0,0,0,0|0,0,2]=4 7308 B16R2.89 C=CCN[C@H]1CCc2c1cccc2C#N 2230a_100015425854_100000210623 [0,2,0,0,0,0|0,0,2]=4 7309 B16R2.89 C=CCN[C@H]1CCc2c1cccc2C#N 34a_100015425854_100015514636 [0,2,0,0,0,0|0,0,2]=4 7310 B16R2.89 CCCNC1CCc2c1cccc2OC 2230a_100000687940_100000210303 [0,2,0,0,0,0|0,0,2]=4 7311 B16R2.89 CCCNC1CCc2c1cccc2OC 269862a_100020643023_100000687888 [0,2,0,0,0,0|0,0,2]=4 7312 B16R2.89 CCCNC1CCc2c1cccc2OC 34a_100000687940_100000210303 [0,2,0,0,0,0|0,0,2]=4 7313 B16R2.89 CCCN[C@H]1CCc2c1cccc2C#N 2230a_100015425854_100000210303 [0,2,0,0,0,0|0,0,2]=4 7314 B16R2.89 CCCN[C@H]1CCc2c1cccc2C#N 34a_100015425854_100000210303 [0,2,0,0,0,0|0,0,2]=4 7315 B16R2.89 COCNC1CCc2c1cccc2OC 2230a_100000687940_100000766300 [0,2,0,0,0,0|1,0,1]=4 7316 B16R2.89 COCN[C@H]1CCc2c1cccc2C#N 2230a_100015425854_100000766300 [0,2,0,0,0,0|1,0,1]=4 7317 B16R2.89 COc1cccc2c1CCC2NCC#N 2230a_100000687940_100011215382 [0,2,0,0,0,0|1,0,0]=3 7318 B16R2.89 COc1cccc2c1CCC2NCC=O 2230a_100000687940_200015260668 [0,2,0,0,0,0|1,0,1]=4 7319 B16R2.89 COc1cccc2c1CCC2NCC=O 34a_100000687940_200009817547 [0,2,0,0,0,0|1,0,1]=4 7320 B16R2.89 COc1cccc2c1CCC2NCCF 2230a_100000687940_100011217306 [0,2,0,0,0,0|1,0,1]=4 7321 B16R2.89 COc1cccc2c1CCC2NCCF 269862a_100000724931_100000687888 [0,2,0,0,0,0|1,0,1]=4 7322 B16R2.89 COc1cccc2c1CCC2NCCF 34a_100000687940_100011217306 [0,2,0,0,0,0|1,0,1]=4 7323 B16R2.89 COc1cccc2c1CCC2NCCO 2230a_100000687940_100000211926 [0,2,0,0,0,0|1,0,1]=4 7324 B16R2.89 COc1cccc2c1CCC2NCCO 269862a_100000210304_100000687888 [0,2,0,0,0,0|1,0,1]=4 7325 B16R2.89 COc1cccc2c1CCC2NCCO 34a_100000687940_100000211926 [0,2,0,0,0,0|1,0,1]=4 7326 B16R2.89 COc1cccc2c1CCC2NCSC 2230a_100000687940_100011218213 [0,2,0,0,0,0|1,0,1]=4 7327 B16R2.89 COc1cccc2c1CCC2NCSC 34a_100000687940_100011218213 [0,2,0,0,0,0|1,0,1]=4 7328 B16R2.89 CSCN[C@H]1CCc2c1cccc2C#N 2230a_100015425854_100011218213 [0,2,0,0,0,0|1,0,1]=4 7329 B16R2.89 CSCN[C@H]1CCc2c1cccc2C#N 34a_100015425854_100011218213 [0,2,0,0,0,0|1,0,1]=4 7330 B16R2.89 N#CCN[C@H]1CCc2c1cccc2C#N 2230a_100015425854_100011215382 [0,2,0,0,0,0|1,0,0]=3 7331 B16R2.89 N#Cc1cccc2c1CC[C@@H]2NCC=O 2230a_100015425854_200015260668 [0,2,0,0,0,0|1,0,1]=4 7332 B16R2.89 N#Cc1cccc2c1CC[C@@H]2NCC=O 34a_100015425854_200009817547 [0,2,0,0,0,0|1,0,1]=4 7333 B16R2.89 N#Cc1cccc2c1CC[C@@H]2NCCF 2230a_100015425854_100011217306 [0,2,0,0,0,0|1,0,1]=4 7334 B16R2.89 N#Cc1cccc2c1CC[C@@H]2NCCF 34a_100015425854_100011217306 [0,2,0,0,0,0|1,0,1]=4 7335 B16R2.89 N#Cc1cccc2c1CC[C@@H]2NCCO 2230a_100015425854_100000211926 [0,2,0,0,0,0|1,0,1]=4 7336 B16R2.89 N#Cc1cccc2c1CC[C@@H]2NCCO 34a_100015425854_100000211926 [0,2,0,0,0,0|1,0,1]=4 7337 B16R2.30440 CCCNC1CCc2c1ccc(c2Br)C 269862a_100020643023_100010133459 [0,2,0,0,0,0|0,0,2]=4 7338 B16R2.30440 CCCNC1CCc2c1ccc(c2Br)Cl 269862a_100020643023_100010010934 [0,2,0,0,0,0|0,0,2]=4 7339 B16R2.30440 CCCNC1CCc2c1ccc(c2Br)F 269862a_100020643023_200010133454 [0,2,0,0,0,0|0,0,2]=4 7340 B16R2.30440 CCCNC1CCc2c1ccc(c2C)Br 269862a_100020643023_100010133460 [0,2,0,0,0,0|0,0,2]=4 7341 B16R2.30440 CCCNC1CCc2c1ccc(c2C)C 269862a_100020643023_200011515902 [0,2,0,0,0,0|0,0,2]=4 7342 B16R2.30440 CCCNC1CCc2c1ccc(c2Cl)Br 269862a_100020643023_100010010907 [0,2,0,0,0,0|0,0,2]=4 7343 B16R2.30440 CCCNC1CCc2c1ccc(c2Cl)Cl 269862a_100020643023_100000752015 [0,2,0,0,0,0|0,0,2]=4 7344 B16R2.30440 CCCNC1CCc2c1ccc(c2F)Br 269862a_100020643023_100010133455 [0,2,0,0,0,0|0,0,2]=4 7345 B16R2.30440 CCCNC1CCc2c1ccc(c2F)Cl 269862a_100020643023_100012184674 [0,2,0,0,0,0|0,0,2]=4 7346 B16R2.30440 CCCNC1CCc2c1ccc(c2F)F 269862a_100020643023_100011900238 [0,2,0,0,0,0|0,0,2]=4 7347 B16R2.30440 CCCNC1CCc2c1ccc(c2O)C 269862a_100020643023_100009867297 [0,2,0,0,0,0|0,0,2]=4 7348 B16R2.30440 Cc1c(ccc2c1CCC2NCCF)Br 269862a_100000724931_100010133460 [0,2,0,0,0,0|1,0,1]=4 7349 B16R2.30440 Cc1c(ccc2c1CCC2NCCO)Br 269862a_100000210304_100010133460 [0,2,0,0,0,0|1,0,1]=4 7350 B16R2.30440 Cc1ccc2c(c1Br)CCC2NCCF 269862a_100000724931_100010133459 [0,2,0,0,0,0|1,0,1]=4 7351 B16R2.30440 Cc1ccc2c(c1Br)CCC2NCCO 269862a_100000210304_100010133459 [0,2,0,0,0,0|1,0,1]=4 7352 B16R2.30440 Cc1ccc2c(c1C)CCC2NCCF 269862a_100000724931_200011515902 [0,2,0,0,0,0|1,0,1]=4 7353 B16R2.30440 Cc1ccc2c(c1C)CCC2NCCO 269862a_100000210304_200011515902 [0,2,0,0,0,0|1,0,1]=4 7354 B16R2.30440 Cc1ccc2c(c1O)CCC2NCCF 269862a_100000724931_100009867297 [0,2,0,0,0,0|1,0,1]=4 7355 B16R2.30440 Cc1ccc2c(c1O)CCC2NCCO 269862a_100000210304_100009867297 [0,2,0,0,0,0|1,0,1]=4 7356 B16R2.30440 FCCNC1CCc2c1ccc(c2Br)Cl 269862a_100000724931_100010010934 [0,2,0,0,0,0|1,0,1]=4 7357 B16R2.30440 FCCNC1CCc2c1ccc(c2Br)F 269862a_100000724931_200010133454 [0,2,0,0,0,0|1,0,1]=4 7358 B16R2.30440 FCCNC1CCc2c1ccc(c2Cl)Br 269862a_100000724931_100010010907 [0,2,0,0,0,0|1,0,1]=4 7359 B16R2.30440 FCCNC1CCc2c1ccc(c2Cl)Cl 269862a_100000724931_100000752015 [0,2,0,0,0,0|1,0,1]=4 7360 B16R2.30440 FCCNC1CCc2c1ccc(c2F)Br 269862a_100000724931_100010133455 [0,2,0,0,0,0|1,0,1]=4 7361 B16R2.30440 FCCNC1CCc2c1ccc(c2F)Cl 269862a_100000724931_100012184674 [0,2,0,0,0,0|1,0,1]=4 7362 B16R2.30440 FCCNC1CCc2c1ccc(c2F)F 269862a_100000724931_100011900238 [0,2,0,0,0,0|1,0,1]=4 7363 B16R2.30440 OCCNC1CCc2c1ccc(c2Br)Cl 269862a_100000210304_100010010934 [0,2,0,0,0,0|1,0,1]=4 7364 B16R2.30440 OCCNC1CCc2c1ccc(c2Br)F 269862a_100000210304_200010133454 [0,2,0,0,0,0|1,0,1]=4 7365 B16R2.30440 OCCNC1CCc2c1ccc(c2Cl)Br 269862a_100000210304_100010010907 [0,2,0,0,0,0|1,0,1]=4 7366 B16R2.30440 OCCNC1CCc2c1ccc(c2Cl)Cl 269862a_100000210304_100000752015 [0,2,0,0,0,0|1,0,1]=4 7367 B16R2.30440 OCCNC1CCc2c1ccc(c2F)Br 269862a_100000210304_100010133455 [0,2,0,0,0,0|1,0,1]=4 7368 B16R2.30440 OCCNC1CCc2c1ccc(c2F)Cl 269862a_100000210304_100012184674 [0,2,0,0,0,0|1,0,1]=4 7369 B16R2.30440 OCCNC1CCc2c1ccc(c2F)F 269862a_100000210304_100011900238 [0,2,0,0,0,0|1,0,1]=4 7370 B16R2.30455 C#CCNC1CCc2c1cc(cc2F)F 2230a_100016993636_100000038162 [0,2,0,0,0,0|0,0,0]=2 7371 B16R2.30455 C#CCNC1CCc2c1cc(cc2F)F 34a_100016993636_100000184674 [0,2,0,0,0,0|0,0,0]=2 7372 B16R2.30455 C=CCNC1CCc2c1cc(cc2F)F 2230a_100016993636_100000210623 [0,2,0,0,0,0|0,0,2]=4 7373 B16R2.30455 C=CCNC1CCc2c1cc(cc2F)F 34a_100016993636_100015514636 [0,2,0,0,0,0|0,0,2]=4 7374 B16R2.30455 CCCNC1CCc2c1cc(cc2Br)Br 269862a_100020643023_100010003835 [0,2,0,0,0,0|0,0,2]=4 7375 B16R2.30455 CCCNC1CCc2c1cc(cc2Br)C 269862a_100020643023_200012347971 [0,2,0,0,0,0|0,0,2]=4 7376 B16R2.30455 CCCNC1CCc2c1cc(cc2Br)Cl 269862a_100020643023_200000693828 [0,2,0,0,0,0|0,0,2]=4 7377 B16R2.30455 CCCNC1CCc2c1cc(cc2Br)F 269862a_100020643023_100012355282 [0,2,0,0,0,0|0,0,2]=4 7378 B16R2.30455 CCCNC1CCc2c1cc(cc2C)Br 269862a_100020643023_200010133532 [0,2,0,0,0,0|0,0,2]=4 7379 B16R2.30455 CCCNC1CCc2c1cc(cc2C)C 269862a_100020643023_200011467761 [0,2,0,0,0,0|0,0,2]=4 7380 B16R2.30455 CCCNC1CCc2c1cc(cc2C)Cl 269862a_100020643023_100012000874 [0,2,0,0,0,0|0,0,2]=4 7381 B16R2.30455 CCCNC1CCc2c1cc(cc2Cl)Br 269862a_100020643023_100000693831 [0,2,0,0,0,0|0,0,2]=4 7382 B16R2.30455 CCCNC1CCc2c1cc(cc2Cl)Cl 269862a_100020643023_100000689964 [0,2,0,0,0,0|0,0,2]=4 7383 B16R2.30455 CCCNC1CCc2c1cc(cc2Cl)F 269862a_100020643023_100011999627 [0,2,0,0,0,0|0,0,2]=4 7384 B16R2.30455 CCCNC1CCc2c1cc(cc2F)Br 269862a_100020643023_100000751134 [0,2,0,0,0,0|0,0,2]=4 7385 B16R2.30455 CCCNC1CCc2c1cc(cc2F)Cl 269862a_100020643023_100009868348 [0,2,0,0,0,0|0,0,2]=4 7386 B16R2.30455 CCCNC1CCc2c1cc(cc2F)F 2230a_100016993636_100000210303 [0,2,0,0,0,0|0,0,2]=4 7387 B16R2.30455 CCCNC1CCc2c1cc(cc2F)F 269862a_100020643023_100000691996 [0,2,0,0,0,0|0,0,2]=4 7388 B16R2.30455 CCCNC1CCc2c1cc(cc2F)F 34a_100016993636_100000210303 [0,2,0,0,0,0|0,0,2]=4 7389 B16R2.30455 COCNC1CCc2c1cc(cc2F)F 2230a_100016993636_100000766300 [0,2,0,0,0,0|1,0,1]=4 7390 B16R2.30455 CSCNC1CCc2c1cc(cc2F)F 2230a_100016993636_100011218213 [0,2,0,0,0,0|1,0,1]=4 7391 B16R2.30455 CSCNC1CCc2c1cc(cc2F)F 34a_100016993636_100011218213 [0,2,0,0,0,0|1,0,1]=4 7392 B16R2.30455 Cc1cc(c2c(c1)C(CC2)NCCF)Br 269862a_100000724931_200012347971 [0,2,0,0,0,0|1,0,1]=4 7393 B16R2.30455 Cc1cc(c2c(c1)C(CC2)NCCF)C 269862a_100000724931_200011467761 [0,2,0,0,0,0|1,0,1]=4 7394 B16R2.30455 Cc1cc(c2c(c1)C(CC2)NCCO)Br 269862a_100000210304_200012347971 [0,2,0,0,0,0|1,0,1]=4 7395 B16R2.30455 Cc1cc(c2c(c1)C(CC2)NCCO)C 269862a_100000210304_200011467761 [0,2,0,0,0,0|1,0,1]=4 7396 B16R2.30455 Cc1cc(cc2c1CCC2NCCF)Br 269862a_100000724931_200010133532 [0,2,0,0,0,0|1,0,1]=4 7397 B16R2.30455 Cc1cc(cc2c1CCC2NCCF)Cl 269862a_100000724931_100012000874 [0,2,0,0,0,0|1,0,1]=4 7398 B16R2.30455 Cc1cc(cc2c1CCC2NCCO)Br 269862a_100000210304_200010133532 [0,2,0,0,0,0|1,0,1]=4 7399 B16R2.30455 Cc1cc(cc2c1CCC2NCCO)Cl 269862a_100000210304_100012000874 [0,2,0,0,0,0|1,0,1]=4 7400 B16R2.30455 FCCNC1CCc2c1cc(cc2Br)Br 269862a_100000724931_100010003835 [0,2,0,0,0,0|1,0,1]=4 7401 B16R2.30455 FCCNC1CCc2c1cc(cc2Br)Cl 269862a_100000724931_200000693828 [0,2,0,0,0,0|1,0,1]=4 7402 B16R2.30455 FCCNC1CCc2c1cc(cc2Br)F 269862a_100000724931_100012355282 [0,2,0,0,0,0|1,0,1]=4 7403 B16R2.30455 FCCNC1CCc2c1cc(cc2Cl)Br 269862a_100000724931_100000693831 [0,2,0,0,0,0|1,0,1]=4 7404 B16R2.30455 FCCNC1CCc2c1cc(cc2Cl)Cl 269862a_100000724931_100000689964 [0,2,0,0,0,0|1,0,1]=4 7405 B16R2.30455 FCCNC1CCc2c1cc(cc2Cl)F 269862a_100000724931_100011999627 [0,2,0,0,0,0|1,0,1]=4 7406 B16R2.30455 FCCNC1CCc2c1cc(cc2F)Br 269862a_100000724931_100000751134 [0,2,0,0,0,0|1,0,1]=4 7407 B16R2.30455 FCCNC1CCc2c1cc(cc2F)Cl 269862a_100000724931_100009868348 [0,2,0,0,0,0|1,0,1]=4 7408 B16R2.30455 FCCNC1CCc2c1cc(cc2F)F 2230a_100016993636_100011217306 [0,2,0,0,0,0|1,0,1]=4 7409 B16R2.30455 FCCNC1CCc2c1cc(cc2F)F 269862a_100000724931_100000691996 [0,2,0,0,0,0|1,0,1]=4 7410 B16R2.30455 FCCNC1CCc2c1cc(cc2F)F 34a_100016993636_100011217306 [0,2,0,0,0,0|1,0,1]=4 7411 B16R2.30455 N#CCNC1CCc2c1cc(cc2F)F 2230a_100016993636_100011215382 [0,2,0,0,0,0|1,0,0]=3 7412 B16R2.30455 O=CCNC1CCc2c1cc(cc2F)F 2230a_100016993636_200015260668 [0,2,0,0,0,0|1,0,1]=4 7413 B16R2.30455 O=CCNC1CCc2c1cc(cc2F)F 34a_100016993636_200009817547 [0,2,0,0,0,0|1,0,1]=4 7414 B16R2.30455 OCCNC1CCc2c1cc(cc2Br)Br 269862a_100000210304_100010003835 [0,2,0,0,0,0|1,0,1]=4 7415 B16R2.30455 OCCNC1CCc2c1cc(cc2Br)Cl 269862a_100000210304_200000693828 [0,2,0,0,0,0|1,0,1]=4 7416 B16R2.30455 OCCNC1CCc2c1cc(cc2Br)F 269862a_100000210304_100012355282 [0,2,0,0,0,0|1,0,1]=4 7417 B16R2.30455 OCCNC1CCc2c1cc(cc2Cl)Br 269862a_100000210304_100000693831 [0,2,0,0,0,0|1,0,1]=4 7418 B16R2.30455 OCCNC1CCc2c1cc(cc2Cl)Cl 269862a_100000210304_100000689964 [0,2,0,0,0,0|1,0,1]=4 7419 B16R2.30455 OCCNC1CCc2c1cc(cc2Cl)F 269862a_100000210304_100011999627 [0,2,0,0,0,0|1,0,1]=4 7420 B16R2.30455 OCCNC1CCc2c1cc(cc2F)Br 269862a_100000210304_100000751134 [0,2,0,0,0,0|1,0,1]=4 7421 B16R2.30455 OCCNC1CCc2c1cc(cc2F)Cl 269862a_100000210304_100009868348 [0,2,0,0,0,0|1,0,1]=4 7422 B16R2.30455 OCCNC1CCc2c1cc(cc2F)F 2230a_100016993636_100000211926 [0,2,0,0,0,0|1,0,1]=4 7423 B16R2.30455 OCCNC1CCc2c1cc(cc2F)F 269862a_100000210304_100000691996 [0,2,0,0,0,0|1,0,1]=4 7424 B16R2.30455 OCCNC1CCc2c1cc(cc2F)F 34a_100016993636_100000211926 [0,2,0,0,0,0|1,0,1]=4 7425 B16R2.30463 CCCNC1CCc2c1c(ccc2Br)Br 269862a_100020643023_100010687844 [0,2,0,0,0,0|0,0,2]=4 7426 B16R2.30463 CCCNC1CCc2c1c(ccc2Br)C 269862a_100020643023_100010091368 [0,2,0,0,0,0|0,0,2]=4 7427 B16R2.30463 CCCNC1CCc2c1c(ccc2Br)Cl 269862a_100020643023_100012348421 [0,2,0,0,0,0|0,0,2]=4 7428 B16R2.30463 CCCNC1CCc2c1c(ccc2Br)F 269862a_100020643023_100012347972 [0,2,0,0,0,0|0,0,2]=4 7429 B16R2.30463 CCCNC1CCc2c1c(ccc2Cl)Br 269862a_100020643023_100012348422 [0,2,0,0,0,0|0,0,2]=4 7430 B16R2.30463 CCCNC1CCc2c1c(ccc2Cl)Cl 269862a_100020643023_100012344721 [0,2,0,0,0,0|0,0,2]=4 7431 B16R2.30463 CCCNC1CCc2c1c(ccc2Cl)F 269862a_100020643023_100009871085 [0,2,0,0,0,0|0,0,2]=4 7432 B16R2.30463 CCCNC1CCc2c1c(ccc2F)Br 269862a_100020643023_100000694073 [0,2,0,0,0,0|0,0,2]=4 7433 B16R2.30463 CCCNC1CCc2c1c(ccc2F)C 269862a_100020643023_100011999517 [0,2,0,0,0,0|0,0,2]=4 7434 B16R2.30463 CCCNC1CCc2c1c(ccc2F)Cl 269862a_100020643023_200000103949 [0,2,0,0,0,0|0,0,2]=4 7435 B16R2.30463 CCCNC1CCc2c1c(ccc2F)F 269862a_100020643023_100000691633 [0,2,0,0,0,0|0,0,2]=4 7436 B16R2.30463 Cc1ccc(c2c1C(CC2)NCCF)Br 269862a_100000724931_100010091368 [0,2,0,0,0,0|1,0,1]=4 7437 B16R2.30463 Cc1ccc(c2c1C(CC2)NCCF)F 269862a_100000724931_100011999517 [0,2,0,0,0,0|1,0,1]=4 7438 B16R2.30463 Cc1ccc(c2c1C(CC2)NCCO)Br 269862a_100000210304_100010091368 [0,2,0,0,0,0|1,0,1]=4 7439 B16R2.30463 Cc1ccc(c2c1C(CC2)NCCO)F 269862a_100000210304_100011999517 [0,2,0,0,0,0|1,0,1]=4 7440 B16R2.30463 FCCNC1CCc2c1c(ccc2Br)Br 269862a_100000724931_100010687844 [0,2,0,0,0,0|1,0,1]=4 7441 B16R2.30463 FCCNC1CCc2c1c(ccc2Br)Cl 269862a_100000724931_100012348421 [0,2,0,0,0,0|1,0,1]=4 7442 B16R2.30463 FCCNC1CCc2c1c(ccc2Br)F 269862a_100000724931_100012347972 [0,2,0,0,0,0|1,0,1]=4 7443 B16R2.30463 FCCNC1CCc2c1c(ccc2Cl)Br 269862a_100000724931_100012348422 [0,2,0,0,0,0|1,0,1]=4 7444 B16R2.30463 FCCNC1CCc2c1c(ccc2Cl)Cl 269862a_100000724931_100012344721 [0,2,0,0,0,0|1,0,1]=4 7445 B16R2.30463 FCCNC1CCc2c1c(ccc2Cl)F 269862a_100000724931_100009871085 [0,2,0,0,0,0|1,0,1]=4 7446 B16R2.30463 FCCNC1CCc2c1c(ccc2F)Br 269862a_100000724931_100000694073 [0,2,0,0,0,0|1,0,1]=4 7447 B16R2.30463 FCCNC1CCc2c1c(ccc2F)Cl 269862a_100000724931_200000103949 [0,2,0,0,0,0|1,0,1]=4 7448 B16R2.30463 FCCNC1CCc2c1c(ccc2F)F 269862a_100000724931_100000691633 [0,2,0,0,0,0|1,0,1]=4 7449 B16R2.30463 OCCNC1CCc2c1c(ccc2Br)Br 269862a_100000210304_100010687844 [0,2,0,0,0,0|1,0,1]=4 7450 B16R2.30463 OCCNC1CCc2c1c(ccc2Br)Cl 269862a_100000210304_100012348421 [0,2,0,0,0,0|1,0,1]=4 7451 B16R2.30463 OCCNC1CCc2c1c(ccc2Br)F 269862a_100000210304_100012347972 [0,2,0,0,0,0|1,0,1]=4 7452 B16R2.30463 OCCNC1CCc2c1c(ccc2Cl)Br 269862a_100000210304_100012348422 [0,2,0,0,0,0|1,0,1]=4 7453 B16R2.30463 OCCNC1CCc2c1c(ccc2Cl)Cl 269862a_100000210304_100012344721 [0,2,0,0,0,0|1,0,1]=4 7454 B16R2.30463 OCCNC1CCc2c1c(ccc2Cl)F 269862a_100000210304_100009871085 [0,2,0,0,0,0|1,0,1]=4 7455 B16R2.30463 OCCNC1CCc2c1c(ccc2F)Br 269862a_100000210304_100000694073 [0,2,0,0,0,0|1,0,1]=4 7456 B16R2.30463 OCCNC1CCc2c1c(ccc2F)Cl 269862a_100000210304_200000103949 [0,2,0,0,0,0|1,0,1]=4 7457 B16R2.30463 OCCNC1CCc2c1c(ccc2F)F 269862a_100000210304_100000691633 [0,2,0,0,0,0|1,0,1]=4 7458 B16R2.31971 CC1Cc2c(cccc2C1NCCF)Br 269862a_100000724931_200012356775 [0,2,0,0,0,0|1,0,1]=4 7459 B16R2.31971 CC1Cc2c(cccc2C1NCCF)F 269862a_100000724931_200012183224 [0,2,0,0,0,0|1,0,1]=4 7460 B16R2.31971 CC1Cc2c(cccc2C1NCCO)Br 269862a_100000210304_200012356775 [0,2,0,0,0,0|1,0,1]=4 7461 B16R2.31971 CC1Cc2c(cccc2C1NCCO)F 269862a_100000210304_200012183224 [0,2,0,0,0,0|1,0,1]=4 7462 B16R2.31971 CCCNC1c2cccc(c2CC1C)Br 269862a_100020643023_200012356775 [0,2,0,0,0,0|0,0,2]=4 7463 B16R2.31971 CCCNC1c2cccc(c2CC1C)F 269862a_100020643023_200012183224 [0,2,0,0,0,0|0,0,2]=4 7464 B16R2.185 C#CCN(CC)C1CCc2c1cccc2 2230a_100000740409_100000210202 [0,2,0,0,0,0|0,0,0]=2 7465 B16R2.185 C#CCN(CC)C1CCc2c1cccc2 2230a_100000744766_200000721974 [0,2,0,0,0,0|0,0,0]=2 7466 B16R2.185 C#CCN(CC)C1CCc2c1cccc2 269982a_100000744766_200000721974 [0,2,0,0,0,0|0,0,0]=2 7467 B16R2.185 C#CCN(CC)C1CCc2c1cccc2 34a_100000740409_100000210202 [0,2,0,0,0,0|0,0,0]=2 7468 B16R2.185 C#CCN(CF)C1CCc2c1cccc2 34a_100000740409_100015361967 [0,2,0,0,0,0|0,0,0]=2 7469 B16R2.185 CCCN(CC)C1CCc2c1cccc2 2230a_100000226822_200000721974 [0,2,0,0,0,0|0,0,2]=4 7470 B16R2.185 CCCN(CC)C1CCc2c1cccc2 2230a_100000737437_100000210202 [0,2,0,0,0,0|0,0,2]=4 7471 B16R2.185 CCCN(CC)C1CCc2c1cccc2 269982a_100000226822_200000721974 [0,2,0,0,0,0|0,0,2]=4 7472 B16R2.185 CCCN(CC)C1CCc2c1cccc2 269982a_100000737437_100000204670 [0,2,0,0,0,0|0,0,2]=4 7473 B16R2.185 CCCN(CC)C1CCc2c1cccc2 34a_100000737437_100000210202 [0,2,0,0,0,0|0,0,2]=4 7474 B16R2.185 CCCN(CF)C1CCc2c1cccc2 269982a_100000737437_100015361967 [0,2,0,0,0,0|0,0,2]=4 7475 B16R2.185 CCCN(CF)C1CCc2c1cccc2 34a_100000737437_100015361967 [0,2,0,0,0,0|0,0,2]=4 7476 B16R2.185 CCN(CCO)C1CCc2c1cccc2 2230a_100000210973_200000721974 [0,2,0,0,0,0|1,0,1]=4 7477 B16R2.185 CCN(CCO)C1CCc2c1cccc2 269982a_100000210973_200000721974 [0,2,0,0,0,0|1,0,1]=4 7478 B16R2.29502 C#CCC(=O)C1CCc2c1ccc(c2)C 1458a_100000103084_100000184674 [0,2,0,0,0,0|1,0,0]=3 7479 B16R2.29502 Cc1ccc2c(c1)CCC2C(=O)CC#N 1458a_100000103084_100011214920 [0,2,0,0,0,0|2,0,0]=4 7480 B16R2.154585 C#CCC(=O)C1CC(=O)c2c1cccc2 1458a_100011220946_100010208147 [0,2,0,0,0,0|1,0,1]=4 7481 B16R2.154585 C#CCN(C)C1CC(=O)c2c1cccc2 2230a_100000225692_100010208147 [0,2,0,0,0,0|0,0,1]=3 7482 B16R2.154585 C#CCN(C)C1OC(=O)c2c1cccc2 2230a_100000225692_100009813457 [0,2,0,0,0,0|1,0,1]=4 7483 B16R2.154585 CN(CC#N)C1CC(=O)c2c1cccc2 2230a_100000748184_100010208147 [0,2,0,0,0,0|1,0,1]=4 7484 B16R2.159766 C#CCC(=O)C1CCc2c1cc(cc2)Br 1458a_100012359375_100000184674 [0,2,0,0,0,0|1,0,0]=3 7485 B16R2.159766 C#CCC(=O)C1CCc2c1cc(cc2)F 1458a_100000103086_100000184674 [0,2,0,0,0,0|1,0,0]=3 7486 B16R2.159766 N#CCC(=O)C1CCc2c1cc(cc2)Br 1458a_100012359375_100011214920 [0,2,0,0,0,0|2,0,0]=4 7487 B16R2.159766 N#CCC(=O)C1CCc2c1cc(cc2)F 1458a_100000103086_100011214920 [0,2,0,0,0,0|2,0,0]=4 7488 B16R2.30442 CCCNC1CCc2c1ccc(c2)CC 269862a_100020643023_100000092109 [0,2,0,0,0,0|0,0,2]=4 7489 B16R2.30442 CCCNC1CCc2c1ccc(c2)OC 269862a_100020643023_100011215323 [0,2,0,0,0,0|0,0,2]=4 7490 B16R2.30442 CCc1ccc2c(c1)CCC2NCCF 269862a_100000724931_100000092109 [0,2,0,0,0,0|1,0,1]=4 7491 B16R2.30442 CCc1ccc2c(c1)CCC2NCCO 269862a_100000210304_100000092109 [0,2,0,0,0,0|1,0,1]=4 7492 B16R2.30442 COc1ccc2c(c1)CCC2NCCF 269862a_100000724931_100011215323 [0,2,0,0,0,0|1,0,1]=4 7493 B16R2.30442 COc1ccc2c(c1)CCC2NCCO 269862a_100000210304_100011215323 [0,2,0,0,0,0|1,0,1]=4 7494 B16R2.31968 CC1Cc2cc(ccc2C1NCCF)Br 269862a_100000724931_100010169280 [0,2,0,0,0,0|1,0,1]=4 7495 B16R2.31968 CC1Cc2cc(ccc2C1NCCF)Cl 269862a_100000724931_100009864968 [0,2,0,0,0,0|1,0,1]=4 7496 B16R2.31968 CC1Cc2cc(ccc2C1NCCF)F 269862a_100000724931_200000086881 [0,2,0,0,0,0|1,0,1]=4 7497 B16R2.31968 CC1Cc2cc(ccc2C1NCCO)Br 269862a_100000210304_100010169280 [0,2,0,0,0,0|1,0,1]=4 7498 B16R2.31968 CC1Cc2cc(ccc2C1NCCO)Cl 269862a_100000210304_100009864968 [0,2,0,0,0,0|1,0,1]=4 7499 B16R2.31968 CC1Cc2cc(ccc2C1NCCO)F 269862a_100000210304_200000086881 [0,2,0,0,0,0|1,0,1]=4 7500 B16R2.31968 CCCNC1c2ccc(cc2CC1C)Br 269862a_100020643023_100010169280 [0,2,0,0,0,0|0,0,2]=4 7501 B16R2.31968 CCCNC1c2ccc(cc2CC1C)Cl 269862a_100020643023_100009864968 [0,2,0,0,0,0|0,0,2]=4 7502 B16R2.31968 CCCNC1c2ccc(cc2CC1C)F 269862a_100020643023_200000086881 [0,2,0,0,0,0|0,0,2]=4 7503 B16R2.163635 C#CCN[C@H]1CCc2c1cc(c(c2)F)F 2230a_100138412301_100000038162 [0,2,0,0,0,0|0,0,0]=2 7504 B16R2.163635 C#CCN[C@H]1CCc2c1cc(c(c2)F)F 34a_100138412301_100000184674 [0,2,0,0,0,0|0,0,0]=2 7505 B16R2.163635 C=CCN[C@H]1CCc2c1cc(c(c2)F)F 2230a_100138412301_100000210623 [0,2,0,0,0,0|0,0,2]=4 7506 B16R2.163635 C=CCN[C@H]1CCc2c1cc(c(c2)F)F 34a_100138412301_100015514636 [0,2,0,0,0,0|0,0,2]=4 7507 B16R2.163635 CCCNC1CCc2c1cc(c(c2)Br)Br 269862a_100020643023_100010284488 [0,2,0,0,0,0|0,0,2]=4 7508 B16R2.163635 CCCNC1CCc2c1cc(c(c2)Br)C 269862a_100020643023_100010010902 [0,2,0,0,0,0|0,0,2]=4 7509 B16R2.163635 CCCNC1CCc2c1cc(c(c2)Br)Cl 269862a_100020643023_100010133453 [0,2,0,0,0,0|0,0,2]=4 7510 B16R2.163635 CCCNC1CCc2c1cc(c(c2)Br)F 269862a_100020643023_100010010804 [0,2,0,0,0,0|0,0,2]=4 7511 B16R2.163635 CCCNC1CCc2c1cc(c(c2)C)Br 269862a_100020643023_100010133461 [0,2,0,0,0,0|0,0,2]=4 7512 B16R2.163635 CCCNC1CCc2c1cc(c(c2)C)C 269862a_100020643023_100000076440 [0,2,0,0,0,0|0,0,2]=4 7513 B16R2.163635 CCCNC1CCc2c1cc(c(c2)C)Cl 269862a_100020643023_200009856417 [0,2,0,0,0,0|0,0,2]=4 7514 B16R2.163635 CCCNC1CCc2c1cc(c(c2)Cl)Br 269862a_100020643023_100010133531 [0,2,0,0,0,0|0,0,2]=4 7515 B16R2.163635 CCCNC1CCc2c1cc(c(c2)Cl)Cl 269862a_100020643023_100010200749 [0,2,0,0,0,0|0,0,2]=4 7516 B16R2.163635 CCCNC1CCc2c1cc(c(c2)Cl)F 269862a_100020643023_100009884274 [0,2,0,0,0,0|0,0,2]=4 7517 B16R2.163635 CCCNC1CCc2c1cc(c(c2)F)Br 269862a_100020643023_100010010871 [0,2,0,0,0,0|0,0,2]=4 7518 B16R2.163635 CCCNC1CCc2c1cc(c(c2)F)C 269862a_100020643023_100000103982 [0,2,0,0,0,0|0,0,2]=4 7519 B16R2.163635 CCCNC1CCc2c1cc(c(c2)F)Cl 269862a_100020643023_100009840612 [0,2,0,0,0,0|0,0,2]=4 7520 B16R2.163635 CCCNC1CCc2c1cc(c(c2)F)F 269862a_100020643023_100000086044 [0,2,0,0,0,0|0,0,2]=4 7521 B16R2.163635 CCCNC1CCc2c1cc(c(c2)F)O 269862a_100020643023_100000092147 [0,2,0,0,0,0|0,0,2]=4 7522 B16R2.163635 CCCN[C@H]1CCc2c1cc(c(c2)F)F 2230a_100138412301_100000210303 [0,2,0,0,0,0|0,0,2]=4 7523 B16R2.163635 CCCN[C@H]1CCc2c1cc(c(c2)F)F 34a_100138412301_100000210303 [0,2,0,0,0,0|0,0,2]=4 7524 B16R2.163635 COCN[C@H]1CCc2c1cc(c(c2)F)F 2230a_100138412301_100000766300 [0,2,0,0,0,0|1,0,1]=4 7525 B16R2.163635 CSCN[C@H]1CCc2c1cc(c(c2)F)F 2230a_100138412301_100011218213 [0,2,0,0,0,0|1,0,1]=4 7526 B16R2.163635 CSCN[C@H]1CCc2c1cc(c(c2)F)F 34a_100138412301_100011218213 [0,2,0,0,0,0|1,0,1]=4 7527 B16R2.163635 Cc1cc2c(cc1Br)C(CC2)NCCF 269862a_100000724931_100010133461 [0,2,0,0,0,0|1,0,1]=4 7528 B16R2.163635 Cc1cc2c(cc1Br)C(CC2)NCCO 269862a_100000210304_100010133461 [0,2,0,0,0,0|1,0,1]=4 7529 B16R2.163635 Cc1cc2c(cc1Br)CCC2NCCF 269862a_100000724931_100010010902 [0,2,0,0,0,0|1,0,1]=4 7530 B16R2.163635 Cc1cc2c(cc1Br)CCC2NCCO 269862a_100000210304_100010010902 [0,2,0,0,0,0|1,0,1]=4 7531 B16R2.163635 Cc1cc2c(cc1C)C(CC2)NCCF 269862a_100000724931_100000076440 [0,2,0,0,0,0|1,0,1]=4 7532 B16R2.163635 Cc1cc2c(cc1C)C(CC2)NCCO 269862a_100000210304_100000076440 [0,2,0,0,0,0|1,0,1]=4 7533 B16R2.163635 Cc1cc2c(cc1Cl)C(CC2)NCCF 269862a_100000724931_200009856417 [0,2,0,0,0,0|1,0,1]=4 7534 B16R2.163635 Cc1cc2c(cc1Cl)C(CC2)NCCO 269862a_100000210304_200009856417 [0,2,0,0,0,0|1,0,1]=4 7535 B16R2.163635 Cc1cc2c(cc1F)CCC2NCCF 269862a_100000724931_100000103982 [0,2,0,0,0,0|1,0,1]=4 7536 B16R2.163635 Cc1cc2c(cc1F)CCC2NCCO 269862a_100000210304_100000103982 [0,2,0,0,0,0|1,0,1]=4 7537 B16R2.163635 FCCNC1CCc2c1cc(c(c2)Br)Br 269862a_100000724931_100010284488 [0,2,0,0,0,0|1,0,1]=4 7538 B16R2.163635 FCCNC1CCc2c1cc(c(c2)Br)Cl 269862a_100000724931_100010133453 [0,2,0,0,0,0|1,0,1]=4 7539 B16R2.163635 FCCNC1CCc2c1cc(c(c2)Br)F 269862a_100000724931_100010010804 [0,2,0,0,0,0|1,0,1]=4 7540 B16R2.163635 FCCNC1CCc2c1cc(c(c2)Cl)Br 269862a_100000724931_100010133531 [0,2,0,0,0,0|1,0,1]=4 7541 B16R2.163635 FCCNC1CCc2c1cc(c(c2)Cl)Cl 269862a_100000724931_100010200749 [0,2,0,0,0,0|1,0,1]=4 7542 B16R2.163635 FCCNC1CCc2c1cc(c(c2)Cl)F 269862a_100000724931_100009884274 [0,2,0,0,0,0|1,0,1]=4 7543 B16R2.163635 FCCNC1CCc2c1cc(c(c2)F)Br 269862a_100000724931_100010010871 [0,2,0,0,0,0|1,0,1]=4 7544 B16R2.163635 FCCNC1CCc2c1cc(c(c2)F)Cl 269862a_100000724931_100009840612 [0,2,0,0,0,0|1,0,1]=4 7545 B16R2.163635 FCCNC1CCc2c1cc(c(c2)F)F 269862a_100000724931_100000086044 [0,2,0,0,0,0|1,0,1]=4 7546 B16R2.163635 FCCN[C@H]1CCc2c1cc(c(c2)F)F 2230a_100138412301_100011217306 [0,2,0,0,0,0|1,0,1]=4 7547 B16R2.163635 FCCN[C@H]1CCc2c1cc(c(c2)F)F 34a_100138412301_100011217306 [0,2,0,0,0,0|1,0,1]=4 7548 B16R2.163635 N#CCN[C@H]1CCc2c1cc(c(c2)F)F 2230a_100138412301_100011215382 [0,2,0,0,0,0|1,0,0]=3 7549 B16R2.163635 O=CCN[C@H]1CCc2c1cc(c(c2)F)F 2230a_100138412301_200015260668 [0,2,0,0,0,0|1,0,1]=4 7550 B16R2.163635 O=CCN[C@H]1CCc2c1cc(c(c2)F)F 34a_100138412301_200009817547 [0,2,0,0,0,0|1,0,1]=4 7551 B16R2.163635 OCCNC1CCc2c1cc(c(c2)Br)Br 269862a_100000210304_100010284488 [0,2,0,0,0,0|1,0,1]=4 7552 B16R2.163635 OCCNC1CCc2c1cc(c(c2)Br)Cl 269862a_100000210304_100010133453 [0,2,0,0,0,0|1,0,1]=4 7553 B16R2.163635 OCCNC1CCc2c1cc(c(c2)Br)F 269862a_100000210304_100010010804 [0,2,0,0,0,0|1,0,1]=4 7554 B16R2.163635 OCCNC1CCc2c1cc(c(c2)Cl)Br 269862a_100000210304_100010133531 [0,2,0,0,0,0|1,0,1]=4 7555 B16R2.163635 OCCNC1CCc2c1cc(c(c2)Cl)Cl 269862a_100000210304_100010200749 [0,2,0,0,0,0|1,0,1]=4 7556 B16R2.163635 OCCNC1CCc2c1cc(c(c2)Cl)F 269862a_100000210304_100009884274 [0,2,0,0,0,0|1,0,1]=4 7557 B16R2.163635 OCCNC1CCc2c1cc(c(c2)F)Br 269862a_100000210304_100010010871 [0,2,0,0,0,0|1,0,1]=4 7558 B16R2.163635 OCCNC1CCc2c1cc(c(c2)F)Cl 269862a_100000210304_100009840612 [0,2,0,0,0,0|1,0,1]=4 7559 B16R2.163635 OCCNC1CCc2c1cc(c(c2)F)F 269862a_100000210304_100000086044 [0,2,0,0,0,0|1,0,1]=4 7560 B16R2.163635 OCCNC1CCc2c1cc(c(c2)F)O 269862a_100000210304_100000092147 [0,2,0,0,0,0|1,0,1]=4 7561 B16R2.163635 OCCN[C@H]1CCc2c1cc(c(c2)F)F 2230a_100138412301_100000211926 [0,2,0,0,0,0|1,0,1]=4 7562 B16R2.163635 OCCN[C@H]1CCc2c1cc(c(c2)F)F 34a_100138412301_100000211926 [0,2,0,0,0,0|1,0,1]=4 7563 B16R2.163635 Oc1cc2c(cc1F)CCC2NCCF 269862a_100000724931_100000092147 [0,2,0,0,0,0|1,0,1]=4 7564 B16R2.163651 C#CCNC1CCc2c1c(cc(c2)F)F 2230a_100020642069_100000038162 [0,2,0,0,0,0|0,0,0]=2 7565 B16R2.163651 C#CCNC1CCc2c1c(cc(c2)F)F 34a_100020642069_100000184674 [0,2,0,0,0,0|0,0,0]=2 7566 B16R2.163651 C=CCNC1CCc2c1c(cc(c2)F)F 2230a_100020642069_100000210623 [0,2,0,0,0,0|0,0,2]=4 7567 B16R2.163651 C=CCNC1CCc2c1c(cc(c2)F)F 34a_100020642069_100015514636 [0,2,0,0,0,0|0,0,2]=4 7568 B16R2.163651 CCCNC1CCc2c1c(cc(c2)Br)Br 269862a_100020643023_100010244004 [0,2,0,0,0,0|0,0,2]=4 7569 B16R2.163651 CCCNC1CCc2c1c(cc(c2)Br)C 269862a_100020643023_100000721622 [0,2,0,0,0,0|0,0,2]=4 7570 B16R2.163651 CCCNC1CCc2c1c(cc(c2)Br)Cl 269862a_100020643023_200010010798 [0,2,0,0,0,0|0,0,2]=4 7571 B16R2.163651 CCCNC1CCc2c1c(cc(c2)Br)F 269862a_100020643023_100010125705 [0,2,0,0,0,0|0,0,2]=4 7572 B16R2.163651 CCCNC1CCc2c1c(cc(c2)Cl)Cl 269862a_100020643023_100000689301 [0,2,0,0,0,0|0,0,2]=4 7573 B16R2.163651 CCCNC1CCc2c1c(cc(c2)Cl)F 269862a_100020643023_200000113106 [0,2,0,0,0,0|0,0,2]=4 7574 B16R2.163651 CCCNC1CCc2c1c(cc(c2)F)Br 269862a_100020643023_100010079923 [0,2,0,0,0,0|0,0,2]=4 7575 B16R2.163651 CCCNC1CCc2c1c(cc(c2)F)F 2230a_100020642069_100000210303 [0,2,0,0,0,0|0,0,2]=4 7576 B16R2.163651 CCCNC1CCc2c1c(cc(c2)F)F 269862a_100020643023_100000070496 [0,2,0,0,0,0|0,0,2]=4 7577 B16R2.163651 CCCNC1CCc2c1c(cc(c2)F)F 34a_100020642069_100000210303 [0,2,0,0,0,0|0,0,2]=4 7578 B16R2.163651 COCNC1CCc2c1c(cc(c2)F)F 2230a_100020642069_100000766300 [0,2,0,0,0,0|1,0,1]=4 7579 B16R2.163651 CSCNC1CCc2c1c(cc(c2)F)F 2230a_100020642069_100011218213 [0,2,0,0,0,0|1,0,1]=4 7580 B16R2.163651 CSCNC1CCc2c1c(cc(c2)F)F 34a_100020642069_100011218213 [0,2,0,0,0,0|1,0,1]=4 7581 B16R2.163651 Cc1cc(cc2c1C(CC2)NCCF)Br 269862a_100000724931_100000721622 [0,2,0,0,0,0|1,0,1]=4 7582 B16R2.163651 Cc1cc(cc2c1C(CC2)NCCO)Br 269862a_100000210304_100000721622 [0,2,0,0,0,0|1,0,1]=4 7583 B16R2.163651 FCCNC1CCc2c1c(cc(c2)Br)Br 269862a_100000724931_100010244004 [0,2,0,0,0,0|1,0,1]=4 7584 B16R2.163651 FCCNC1CCc2c1c(cc(c2)Br)Cl 269862a_100000724931_200010010798 [0,2,0,0,0,0|1,0,1]=4 7585 B16R2.163651 FCCNC1CCc2c1c(cc(c2)Br)F 269862a_100000724931_100010125705 [0,2,0,0,0,0|1,0,1]=4 7586 B16R2.163651 FCCNC1CCc2c1c(cc(c2)Cl)Cl 269862a_100000724931_100000689301 [0,2,0,0,0,0|1,0,1]=4 7587 B16R2.163651 FCCNC1CCc2c1c(cc(c2)Cl)F 269862a_100000724931_200000113106 [0,2,0,0,0,0|1,0,1]=4 7588 B16R2.163651 FCCNC1CCc2c1c(cc(c2)F)Br 269862a_100000724931_100010079923 [0,2,0,0,0,0|1,0,1]=4 7589 B16R2.163651 FCCNC1CCc2c1c(cc(c2)F)F 2230a_100020642069_100011217306 [0,2,0,0,0,0|1,0,1]=4 7590 B16R2.163651 FCCNC1CCc2c1c(cc(c2)F)F 269862a_100000724931_100000070496 [0,2,0,0,0,0|1,0,1]=4 7591 B16R2.163651 FCCNC1CCc2c1c(cc(c2)F)F 34a_100020642069_100011217306 [0,2,0,0,0,0|1,0,1]=4 7592 B16R2.163651 N#CCNC1CCc2c1c(cc(c2)F)F 2230a_100020642069_100011215382 [0,2,0,0,0,0|1,0,0]=3 7593 B16R2.163651 O=CCNC1CCc2c1c(cc(c2)F)F 2230a_100020642069_200015260668 [0,2,0,0,0,0|1,0,1]=4 7594 B16R2.163651 O=CCNC1CCc2c1c(cc(c2)F)F 34a_100020642069_200009817547 [0,2,0,0,0,0|1,0,1]=4 7595 B16R2.163651 OCCNC1CCc2c1c(cc(c2)Br)Br 269862a_100000210304_100010244004 [0,2,0,0,0,0|1,0,1]=4 7596 B16R2.163651 OCCNC1CCc2c1c(cc(c2)Br)Cl 269862a_100000210304_200010010798 [0,2,0,0,0,0|1,0,1]=4 7597 B16R2.163651 OCCNC1CCc2c1c(cc(c2)Br)F 269862a_100000210304_100010125705 [0,2,0,0,0,0|1,0,1]=4 7598 B16R2.163651 OCCNC1CCc2c1c(cc(c2)Cl)Cl 269862a_100000210304_100000689301 [0,2,0,0,0,0|1,0,1]=4 7599 B16R2.163651 OCCNC1CCc2c1c(cc(c2)Cl)F 269862a_100000210304_200000113106 [0,2,0,0,0,0|1,0,1]=4 7600 B16R2.163651 OCCNC1CCc2c1c(cc(c2)F)Br 269862a_100000210304_100010079923 [0,2,0,0,0,0|1,0,1]=4 7601 B16R2.163651 OCCNC1CCc2c1c(cc(c2)F)F 2230a_100020642069_100000211926 [0,2,0,0,0,0|1,0,1]=4 7602 B16R2.163651 OCCNC1CCc2c1c(cc(c2)F)F 269862a_100000210304_100000070496 [0,2,0,0,0,0|1,0,1]=4 7603 B16R2.163651 OCCNC1CCc2c1c(cc(c2)F)F 34a_100020642069_100000211926 [0,2,0,0,0,0|1,0,1]=4 7604 B16R2.112 CCC1Cc2ccccc2C1NCCF 269862a_100000724931_100011215617 [0,2,0,0,0,0|1,0,1]=4 7605 B16R2.112 CCC1Cc2ccccc2C1NCCO 269862a_100000210304_100011215617 [0,2,0,0,0,0|1,0,1]=4 7606 B16R2.112 CCCNC1c2ccccc2CC1CC 269862a_100020643023_100011215617 [0,2,0,0,0,0|0,0,2]=4 7607 B16R2.889 C#CCOC1c2ccccc2CC1(C)C 34a_200012242764_100000184674 [0,2,0,0,0,0|1,0,0]=3 7608 B16R2.889 C#CCOC1c2ccccc2CC1(C)C 7a_200012242764_100000038162 [0,2,0,0,0,0|1,0,0]=3 7609 B16R2.889 CC1(Cc2ccccc2C1OCC#N)C 7a_200012242764_100011215382 [0,2,0,0,0,0|2,0,0]=4 7610 B16R2.166026 CC1Cc2ccc(cc2C1NCCF)Br 269862a_100000724931_100000694082 [0,2,0,0,0,0|1,0,1]=4 7611 B16R2.166026 CC1Cc2ccc(cc2C1NCCF)Cl 269862a_100000724931_100012183047 [0,2,0,0,0,0|1,0,1]=4 7612 B16R2.166026 CC1Cc2ccc(cc2C1NCCF)F 269862a_100000724931_100000685414 [0,2,0,0,0,0|1,0,1]=4 7613 B16R2.166026 CC1Cc2ccc(cc2C1NCCO)Br 269862a_100000210304_100000694082 [0,2,0,0,0,0|1,0,1]=4 7614 B16R2.166026 CC1Cc2ccc(cc2C1NCCO)Cl 269862a_100000210304_100012183047 [0,2,0,0,0,0|1,0,1]=4 7615 B16R2.166026 CC1Cc2ccc(cc2C1NCCO)F 269862a_100000210304_100000685414 [0,2,0,0,0,0|1,0,1]=4 7616 B16R2.166026 CCCNC1c2cc(ccc2CC1C)Br 269862a_100020643023_100000694082 [0,2,0,0,0,0|0,0,2]=4 7617 B16R2.166026 CCCNC1c2cc(ccc2CC1C)C 269862a_100020643023_100000698133 [0,2,0,0,0,0|0,0,2]=4 7618 B16R2.166026 CCCNC1c2cc(ccc2CC1C)Cl 269862a_100020643023_100012183047 [0,2,0,0,0,0|0,0,2]=4 7619 B16R2.166026 CCCNC1c2cc(ccc2CC1C)F 269862a_100020643023_100000685414 [0,2,0,0,0,0|0,0,2]=4 7620 B16R2.166026 Cc1ccc2c(c1)C(C(C2)C)NCCF 269862a_100000724931_100000698133 [0,2,0,0,0,0|1,0,1]=4 7621 B16R2.166026 Cc1ccc2c(c1)C(C(C2)C)NCCO 269862a_100000210304_100000698133 [0,2,0,0,0,0|1,0,1]=4 7622 B16R2.163634 C#CCNC1CCc2c1c(ccc2)OC 2230a_100103153739_100000038162 [0,2,0,0,0,0|0,0,0]=2 7623 B16R2.163634 C#CCNC1CCc2c1c(ccc2)OC 34a_100103153739_100000184674 [0,2,0,0,0,0|0,0,0]=2 7624 B16R2.163634 C=CCNC1CCc2c1c(ccc2)OC 2230a_100103153739_100000210623 [0,2,0,0,0,0|0,0,2]=4 7625 B16R2.163634 C=CCNC1CCc2c1c(ccc2)OC 34a_100103153739_100015514636 [0,2,0,0,0,0|0,0,2]=4 7626 B16R2.163634 CCCNC1CCc2c1c(ccc2)OC 2230a_100103153739_100000210303 [0,2,0,0,0,0|0,0,2]=4 7627 B16R2.163634 CCCNC1CCc2c1c(ccc2)OC 34a_100103153739_100000210303 [0,2,0,0,0,0|0,0,2]=4 7628 B16R2.163634 COCNC1CCc2c1c(ccc2)OC 2230a_100103153739_100000766300 [0,2,0,0,0,0|1,0,1]=4 7629 B16R2.163634 COc1cccc2c1C(CC2)NCC#N 2230a_100103153739_100011215382 [0,2,0,0,0,0|1,0,0]=3 7630 B16R2.163634 COc1cccc2c1C(CC2)NCC=O 2230a_100103153739_200015260668 [0,2,0,0,0,0|1,0,1]=4 7631 B16R2.163634 COc1cccc2c1C(CC2)NCC=O 34a_100103153739_200009817547 [0,2,0,0,0,0|1,0,1]=4 7632 B16R2.163634 COc1cccc2c1C(CC2)NCCF 2230a_100103153739_100011217306 [0,2,0,0,0,0|1,0,1]=4 7633 B16R2.163634 COc1cccc2c1C(CC2)NCCF 34a_100103153739_100011217306 [0,2,0,0,0,0|1,0,1]=4 7634 B16R2.163634 COc1cccc2c1C(CC2)NCCO 2230a_100103153739_100000211926 [0,2,0,0,0,0|1,0,1]=4 7635 B16R2.163634 COc1cccc2c1C(CC2)NCCO 34a_100103153739_100000211926 [0,2,0,0,0,0|1,0,1]=4 7636 B16R2.163634 COc1cccc2c1C(CC2)NCSC 2230a_100103153739_100011218213 [0,2,0,0,0,0|1,0,1]=4 7637 B16R2.163634 COc1cccc2c1C(CC2)NCSC 34a_100103153739_100011218213 [0,2,0,0,0,0|1,0,1]=4 7638 B16R2.163638 C#CCN[C@H]1CCc2c1cc(cc2)OC 2230a_100009817776_100000038162 [0,2,0,0,0,0|0,0,0]=2 7639 B16R2.163638 C#CCN[C@H]1CCc2c1cc(cc2)OC 34a_100009817776_100000184674 [0,2,0,0,0,0|0,0,0]=2 7640 B16R2.163638 C#CCOC1CCc2c1cc(cc2)OC 34a_200011467848_100000184674 [0,2,0,0,0,0|1,0,0]=3 7641 B16R2.163638 C#CCOC1CCc2c1cc(cc2)OC 7a_200011467848_100000038162 [0,2,0,0,0,0|1,0,0]=3 7642 B16R2.163638 C=CCN[C@H]1CCc2c1cc(cc2)OC 2230a_100009817776_100000210623 [0,2,0,0,0,0|0,0,2]=4 7643 B16R2.163638 C=CCN[C@H]1CCc2c1cc(cc2)OC 34a_100009817776_100015514636 [0,2,0,0,0,0|0,0,2]=4 7644 B16R2.163638 CCCNC1CCc2c1cc(cc2)CC 269862a_100020643023_200011467760 [0,2,0,0,0,0|0,0,2]=4 7645 B16R2.163638 CCCNC1CCc2c1cc(cc2)OC 269862a_100020643023_100000751120 [0,2,0,0,0,0|0,0,2]=4 7646 B16R2.163638 CCCNC1CCc2c1cc(cc2)SC 269862a_100020643023_200000069412 [0,2,0,0,0,0|0,0,2]=4 7647 B16R2.163638 CCCN[C@H]1CCc2c1cc(cc2)OC 2230a_100009817776_100000210303 [0,2,0,0,0,0|0,0,2]=4 7648 B16R2.163638 CCCN[C@H]1CCc2c1cc(cc2)OC 34a_100009817776_100000210303 [0,2,0,0,0,0|0,0,2]=4 7649 B16R2.163638 CCc1ccc2c(c1)C(CC2)NCCF 269862a_100000724931_200011467760 [0,2,0,0,0,0|1,0,1]=4 7650 B16R2.163638 CCc1ccc2c(c1)C(CC2)NCCO 269862a_100000210304_200011467760 [0,2,0,0,0,0|1,0,1]=4 7651 B16R2.163638 COCN[C@H]1CCc2c1cc(cc2)OC 2230a_100009817776_100000766300 [0,2,0,0,0,0|1,0,1]=4 7652 B16R2.163638 COc1ccc2c(c1)C(CC2)NCCF 269862a_100000724931_100000751120 [0,2,0,0,0,0|1,0,1]=4 7653 B16R2.163638 COc1ccc2c(c1)C(CC2)NCCO 269862a_100000210304_100000751120 [0,2,0,0,0,0|1,0,1]=4 7654 B16R2.163638 COc1ccc2c(c1)C(CC2)OCC#N 7a_200011467848_100011215382 [0,2,0,0,0,0|2,0,0]=4 7655 B16R2.163638 COc1ccc2c(c1)[C@H](CC2)NCC#N 2230a_100009817776_100011215382 [0,2,0,0,0,0|1,0,0]=3 7656 B16R2.163638 COc1ccc2c(c1)[C@H](CC2)NCC=O 2230a_100009817776_200015260668 [0,2,0,0,0,0|1,0,1]=4 7657 B16R2.163638 COc1ccc2c(c1)[C@H](CC2)NCC=O 34a_100009817776_200009817547 [0,2,0,0,0,0|1,0,1]=4 7658 B16R2.163638 COc1ccc2c(c1)[C@H](CC2)NCCF 2230a_100009817776_100011217306 [0,2,0,0,0,0|1,0,1]=4 7659 B16R2.163638 COc1ccc2c(c1)[C@H](CC2)NCCF 34a_100009817776_100011217306 [0,2,0,0,0,0|1,0,1]=4 7660 B16R2.163638 COc1ccc2c(c1)[C@H](CC2)NCCO 2230a_100009817776_100000211926 [0,2,0,0,0,0|1,0,1]=4 7661 B16R2.163638 COc1ccc2c(c1)[C@H](CC2)NCCO 34a_100009817776_100000211926 [0,2,0,0,0,0|1,0,1]=4 7662 B16R2.163638 COc1ccc2c(c1)[C@H](CC2)NCSC 2230a_100009817776_100011218213 [0,2,0,0,0,0|1,0,1]=4 7663 B16R2.163638 COc1ccc2c(c1)[C@H](CC2)NCSC 34a_100009817776_100011218213 [0,2,0,0,0,0|1,0,1]=4 7664 B16R2.163638 CSc1ccc2c(c1)C(CC2)NCCF 269862a_100000724931_200000069412 [0,2,0,0,0,0|1,0,1]=4 7665 B16R2.163638 CSc1ccc2c(c1)C(CC2)NCCO 269862a_100000210304_200000069412 [0,2,0,0,0,0|1,0,1]=4 7666 B12R0.206 C#CCCCCCC(=O)C=CC=C 1458a_100016291481_100012094781 [0,0,2,0,0,0|2,0,0]=4 7667 B14R2.35 C#CCN1CCC1c2ccccc2 2230a_100000739605_100000038162 [0,0,1,1,0,0|0,0,0]=2 7668 B14R2.35 C=CCN1CCC1c2ccccc2 2230a_100000739605_100000210623 [0,0,1,1,0,0|0,0,2]=4 7669 B14R2.35 C=CCN1CCC1c2ccccc2 269982a_100000739605_100000210623 [0,0,1,1,0,0|0,0,2]=4 7670 B14R2.35 CCCN1CCC1c2ccccc2 2230a_100000739605_100000210303 [0,0,1,1,0,0|0,0,2]=4 7671 B14R2.35 CCCN1CCC1c2ccccc2 269982a_100000739605_100000210303 [0,0,1,1,0,0|0,0,2]=4 7672 B14R2.35 COCN1CCC1c2ccccc2 2230a_100000739605_100000766300 [0,0,1,1,0,0|1,0,1]=4 7673 B14R2.35 COCN1CCC1c2ccccc2 269982a_100000739605_100000766300 [0,0,1,1,0,0|1,0,1]=4 7674 B14R2.35 CSCN1CCC1c2ccccc2 2230a_100000739605_100011218213 [0,0,1,1,0,0|1,0,1]=4 7675 B14R2.35 CSCN1CCC1c2ccccc2 269982a_100000739605_100011218213 [0,0,1,1,0,0|1,0,1]=4 7676 B14R2.35 FCCN1CCC1c2ccccc2 2230a_100000739605_100011217306 [0,0,1,1,0,0|1,0,1]=4 7677 B14R2.35 FCCN1CCC1c2ccccc2 269982a_100000739605_100011217306 [0,0,1,1,0,0|1,0,1]=4 7678 B14R2.35 N#CCN1CCC1c2ccccc2 2230a_100000739605_100011215382 [0,0,1,1,0,0|1,0,0]=3 7679 B14R2.35 N#CCN1CCC1c2ccccc2 269982a_100000739605_100011214920 [0,0,1,1,0,0|1,0,0]=3 7680 B14R2.35 O=CCN1CCC1c2ccccc2 2230a_100000739605_200015260668 [0,0,1,1,0,0|1,0,1]=4 7681 B14R2.35 O=CCN1CCC1c2ccccc2 269982a_100000739605_200015260668 [0,0,1,1,0,0|1,0,1]=4 7682 B14R2.35 OCCN1CCC1c2ccccc2 2230a_100000739605_100000211926 [0,0,1,1,0,0|1,0,1]=4 7683 B14R2.35 OCCN1CCC1c2ccccc2 269982a_100000739605_100000211926 [0,0,1,1,0,0|1,0,1]=4 7684 B14R2.995 C#CCNC1(CC1)c2ccccc2 2230a_100000749958_100000038162 [0,0,1,1,0,0|0,0,0]=2 7685 B14R2.995 C#CCNC1(CC1)c2ccccn2 2230a_100000727909_100000038162 [0,0,1,1,0,0|1,0,0]=3 7686 B14R2.995 C#CCNC1(CC1)c2cccnc2 2230a_100020592340_100000038162 [0,0,1,1,0,0|1,0,0]=3 7687 B14R2.995 C=CCNC1(CC1)c2ccccc2 2230a_100000749958_100000210623 [0,0,1,1,0,0|0,0,2]=4 7688 B14R2.995 CCCNC1(CC1)c2ccccc2 2230a_100000749958_100000210303 [0,0,1,1,0,0|0,0,2]=4 7689 B14R2.995 COCNC1(CC1)c2ccccc2 2230a_100000749958_100000766300 [0,0,1,1,0,0|1,0,1]=4 7690 B14R2.995 CSCNC1(CC1)c2ccccc2 2230a_100000749958_100011218213 [0,0,1,1,0,0|1,0,1]=4 7691 B14R2.995 FCCNC1(CC1)c2ccccc2 2230a_100000749958_100011217306 [0,0,1,1,0,0|1,0,1]=4 7692 B14R2.995 N#CCNC1(CC1)c2ccccc2 2230a_100000749958_100011215382 [0,0,1,1,0,0|1,0,0]=3 7693 B14R2.995 N#CCNC1(CC1)c2ccccn2 2230a_100000727909_100011215382 [0,0,1,1,0,0|2,0,0]=4 7694 B14R2.995 N#CCNC1(CC1)c2cccnc2 2230a_100020592340_100011215382 [0,0,1,1,0,0|2,0,0]=4 7695 B14R2.995 O=CCNC1(CC1)c2ccccc2 2230a_100000749958_200015260668 [0,0,1,1,0,0|1,0,1]=4 7696 B14R2.995 OCCNC1(CC1)c2ccccc2 2230a_100000749958_100000211926 [0,0,1,1,0,0|1,0,1]=4 7697 B14R2.33 C#CCN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100000038162 [0,0,1,1,0,0|0,0,0]=2 7698 B14R2.33 C#CCN1C[C@@H]1Cc2ccccc2 34a_100016998360_100000184674 [0,0,1,1,0,0|0,0,0]=2 7699 B14R2.33 C=CCN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100000210623 [0,0,1,1,0,0|0,0,2]=4 7700 B14R2.33 C=CCN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100000210623 [0,0,1,1,0,0|0,0,2]=4 7701 B14R2.33 C=CCN1C[C@@H]1Cc2ccccc2 34a_100016998360_100015514636 [0,0,1,1,0,0|0,0,2]=4 7702 B14R2.33 CCCN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100000210303 [0,0,1,1,0,0|0,0,2]=4 7703 B14R2.33 CCCN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100000210303 [0,0,1,1,0,0|0,0,2]=4 7704 B14R2.33 CCCN1C[C@@H]1Cc2ccccc2 34a_100016998360_100000210303 [0,0,1,1,0,0|0,0,2]=4 7705 B14R2.33 COCN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100000766300 [0,0,1,1,0,0|1,0,1]=4 7706 B14R2.33 COCN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100000766300 [0,0,1,1,0,0|1,0,1]=4 7707 B14R2.33 CSCN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100011218213 [0,0,1,1,0,0|1,0,1]=4 7708 B14R2.33 CSCN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100011218213 [0,0,1,1,0,0|1,0,1]=4 7709 B14R2.33 CSCN1C[C@@H]1Cc2ccccc2 34a_100016998360_100011218213 [0,0,1,1,0,0|1,0,1]=4 7710 B14R2.33 FCCN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100011217306 [0,0,1,1,0,0|1,0,1]=4 7711 B14R2.33 FCCN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100011217306 [0,0,1,1,0,0|1,0,1]=4 7712 B14R2.33 FCCN1C[C@@H]1Cc2ccccc2 34a_100016998360_100011217306 [0,0,1,1,0,0|1,0,1]=4 7713 B14R2.33 N#CCN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100011215382 [0,0,1,1,0,0|1,0,0]=3 7714 B14R2.33 N#CCN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100011214920 [0,0,1,1,0,0|1,0,0]=3 7715 B14R2.33 O=CCN1C[C@@H]1Cc2ccccc2 2230a_100016998360_200015260668 [0,0,1,1,0,0|1,0,1]=4 7716 B14R2.33 O=CCN1C[C@@H]1Cc2ccccc2 269982a_100016998360_200015260668 [0,0,1,1,0,0|1,0,1]=4 7717 B14R2.33 O=CCN1C[C@@H]1Cc2ccccc2 34a_100016998360_200009817547 [0,0,1,1,0,0|1,0,1]=4 7718 B14R2.33 OCCN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100000211926 [0,0,1,1,0,0|1,0,1]=4 7719 B14R2.33 OCCN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100000211926 [0,0,1,1,0,0|1,0,1]=4 7720 B14R2.33 OCCN1C[C@@H]1Cc2ccccc2 34a_100016998360_100000211926 [0,0,1,1,0,0|1,0,1]=4 7721 B14R2.66 C#CCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000038162 [0,0,1,1,0,0|0,0,0]=2 7722 B14R2.66 C#CCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000184674 [0,0,1,1,0,0|0,0,0]=2 7723 B14R2.66 C=CCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000210623 [0,0,1,1,0,0|0,0,2]=4 7724 B14R2.66 C=CCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100015514636 [0,0,1,1,0,0|0,0,2]=4 7725 B14R2.66 CCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000210303 [0,0,1,1,0,0|0,0,2]=4 7726 B14R2.66 CCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000210303 [0,0,1,1,0,0|0,0,2]=4 7727 B14R2.66 COCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000766300 [0,0,1,1,0,0|1,0,1]=4 7728 B14R2.66 CSCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100011218213 [0,0,1,1,0,0|1,0,1]=4 7729 B14R2.66 CSCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100011218213 [0,0,1,1,0,0|1,0,1]=4 7730 B14R2.66 FCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100011217306 [0,0,1,1,0,0|1,0,1]=4 7731 B14R2.66 FCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100011217306 [0,0,1,1,0,0|1,0,1]=4 7732 B14R2.66 N#CCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100011215382 [0,0,1,1,0,0|1,0,0]=3 7733 B14R2.66 O=CCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_200015260668 [0,0,1,1,0,0|1,0,1]=4 7734 B14R2.66 O=CCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_200009817547 [0,0,1,1,0,0|1,0,1]=4 7735 B14R2.66 OCCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000211926 [0,0,1,1,0,0|1,0,1]=4 7736 B14R2.66 OCCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000211926 [0,0,1,1,0,0|1,0,1]=4 7737 B14R2.3018 c1ccc(cc1)CCCNC2CC2 34a_100000211184_100000211595 [0,0,1,1,0,0|0,0,2]=4 7738 B14R2.3018 c1ccc(cc1)CCCNC2CC2 34a_100000212008_100000211621 [0,0,1,1,0,0|0,0,2]=4 7739 B14R2.3019 c1ccc(cc1)CCCN2CCC2 269982a_100000754969_100000211621 [0,0,1,1,0,0|0,0,2]=4 7740 B14R2.112 C#CCN1CCc2ccccc2C1 2230a_100000188457_100000038162 [0,0,1,1,0,0|0,0,0]=2 7741 B14R2.112 C#CCN1CCc2ccccc2C1 34a_100000188457_100000184674 [0,0,1,1,0,0|0,0,0]=2 7742 B14R2.112 C#CCN1CCc2cccnc2C1 2230a_100015206102_100000038162 [0,0,1,1,0,0|1,0,0]=3 7743 B14R2.112 C#CCN1CCc2ccncc2C1 2230a_100015190008_100000038162 [0,0,1,1,0,0|1,0,0]=3 7744 B14R2.112 C#CCN1CCc2cnccc2C1 2230a_100020645890_100000038162 [0,0,1,1,0,0|1,0,0]=3 7745 B14R2.112 C#CCN1CCc2ncccc2C1 2230a_100000699647_100000038162 [0,0,1,1,0,0|1,0,0]=3 7746 B14R2.112 C#CCN1CCc2ncncc2C1 2230a_100012000121_100000038162 [0,0,1,1,0,0|2,0,0]=4 7747 B14R2.112 C=CCN1CCc2ccccc2C1 2230a_100000188457_100000210623 [0,0,1,1,0,0|0,0,2]=4 7748 B14R2.112 C=CCN1CCc2ccccc2C1 269982a_100000188457_100000210623 [0,0,1,1,0,0|0,0,2]=4 7749 B14R2.112 C=CCN1CCc2ccccc2C1 34a_100000188457_100015514636 [0,0,1,1,0,0|0,0,2]=4 7750 B14R2.112 CCCN1CCc2ccccc2C1 2230a_100000188457_100000210303 [0,0,1,1,0,0|0,0,2]=4 7751 B14R2.112 CCCN1CCc2ccccc2C1 269982a_100000188457_100000210303 [0,0,1,1,0,0|0,0,2]=4 7752 B14R2.112 CCCN1CCc2ccccc2C1 34a_100000188457_100000210303 [0,0,1,1,0,0|0,0,2]=4 7753 B14R2.112 COCN1CCc2ccccc2C1 2230a_100000188457_100000766300 [0,0,1,1,0,0|1,0,1]=4 7754 B14R2.112 COCN1CCc2ccccc2C1 269982a_100000188457_100000766300 [0,0,1,1,0,0|1,0,1]=4 7755 B14R2.112 CSCN1CCc2ccccc2C1 2230a_100000188457_100011218213 [0,0,1,1,0,0|1,0,1]=4 7756 B14R2.112 CSCN1CCc2ccccc2C1 269982a_100000188457_100011218213 [0,0,1,1,0,0|1,0,1]=4 7757 B14R2.112 CSCN1CCc2ccccc2C1 34a_100000188457_100011218213 [0,0,1,1,0,0|1,0,1]=4 7758 B14R2.112 FCCN1CCc2ccccc2C1 2230a_100000188457_100011217306 [0,0,1,1,0,0|1,0,1]=4 7759 B14R2.112 FCCN1CCc2ccccc2C1 269982a_100000188457_100011217306 [0,0,1,1,0,0|1,0,1]=4 7760 B14R2.112 FCCN1CCc2ccccc2C1 34a_100000188457_100011217306 [0,0,1,1,0,0|1,0,1]=4 7761 B14R2.112 N#CCN1CCc2ccccc2C1 2230a_100000188457_100011215382 [0,0,1,1,0,0|1,0,0]=3 7762 B14R2.112 N#CCN1CCc2ccccc2C1 269982a_100000188457_100011214920 [0,0,1,1,0,0|1,0,0]=3 7763 B14R2.112 N#CCN1CCc2cccnc2C1 2230a_100015206102_100011215382 [0,0,1,1,0,0|2,0,0]=4 7764 B14R2.112 N#CCN1CCc2cccnc2C1 269982a_100015206102_100011214920 [0,0,1,1,0,0|2,0,0]=4 7765 B14R2.112 N#CCN1CCc2ccncc2C1 2230a_100015190008_100011215382 [0,0,1,1,0,0|2,0,0]=4 7766 B14R2.112 N#CCN1CCc2ccncc2C1 269982a_100015190008_100011214920 [0,0,1,1,0,0|2,0,0]=4 7767 B14R2.112 N#CCN1CCc2cnccc2C1 2230a_100020645890_100011215382 [0,0,1,1,0,0|2,0,0]=4 7768 B14R2.112 N#CCN1CCc2cnccc2C1 269982a_100020645890_100011214920 [0,0,1,1,0,0|2,0,0]=4 7769 B14R2.112 N#CCN1CCc2ncccc2C1 2230a_100000699647_100011215382 [0,0,1,1,0,0|2,0,0]=4 7770 B14R2.112 N#CCN1CCc2ncccc2C1 269982a_100000699647_100011214920 [0,0,1,1,0,0|2,0,0]=4 7771 B14R2.112 O=CCN1CCc2ccccc2C1 2230a_100000188457_200015260668 [0,0,1,1,0,0|1,0,1]=4 7772 B14R2.112 O=CCN1CCc2ccccc2C1 269982a_100000188457_200015260668 [0,0,1,1,0,0|1,0,1]=4 7773 B14R2.112 O=CCN1CCc2ccccc2C1 34a_100000188457_200009817547 [0,0,1,1,0,0|1,0,1]=4 7774 B14R2.112 OCCN1CCc2ccccc2C1 2230a_100000188457_100000211926 [0,0,1,1,0,0|1,0,1]=4 7775 B14R2.112 OCCN1CCc2ccccc2C1 269982a_100000188457_100000211926 [0,0,1,1,0,0|1,0,1]=4 7776 B14R2.112 OCCN1CCc2ccccc2C1 34a_100000188457_100000211926 [0,0,1,1,0,0|1,0,1]=4 7777 B14R2.67 C#CCNC1Cc2ccccc2C1 2230a_100000753258_100000038162 [0,0,1,1,0,0|0,0,2]=4 7778 B14R2.67 C#CCNC1Cc2ccccc2C1 34a_100000212058_100000753484 [0,0,1,1,0,0|0,0,2]=4 7779 B14R2.67 C#CCNC1Cc2ccccc2C1 34a_100000753258_100000184674 [0,0,1,1,0,0|0,0,2]=4 7780 B14R2.4633 Cc1ccccc1C(C)NC2CC2 34a_100000181355_100000211595 [0,0,1,1,0,0|0,0,2]=4 7781 B14R3.56 c1ccc2c(c1)CC2N3CCC3 269982a_100000754969_100009813401 [0,0,0,1,1,0|0,0,2]=4 7782 B16R3.63903 c1ccc2c(c1)CCC(C2)NC3CC3 34a_100000748446_100000211595 [0,0,0,1,0,1|0,0,2]=4 7783 B16R3.1817 c1ccc2c(c1)CCC[C@@H]2NC3CC3 34a_100020654734_100000211595 [0,0,0,1,0,1|0,0,2]=4 7784 B16R3.34 F[C@@H]1C[C@H]1NC2CCc3c2cccc3 2230a_100025746932_200000721974 [0,1,0,1,0,0|0,0,2]=4 7785 B16R3.34 F[C@H]1C[C@H]1NC2CCc3c2cccc3 2230a_100015190264_200000721974 [0,1,0,1,0,0|0,0,2]=4 7786 B16R3.50 CC1CCN1C2CCc3c2cccc3 269982a_100000755817_200000721974 [0,1,0,1,0,0|0,0,2]=4 7787 B16R3.1813 c1ccc2c(c1)CCC2NC3CCC3 2230a_100000749019_200000721974 [0,1,0,1,0,0|0,0,2]=4 7788 B16R3.1813 c1ccc2c(c1)CCC2NC3CCC3 269862a_100000749019_100000212051 [0,1,0,1,0,0|0,0,2]=4 7789 B16R3.1813 c1ccc2c(c1)CCC2NC3COC3 2230a_100016991112_200000721974 [0,1,0,1,0,0|0,0,2]=4 7790 B16R3.1813 c1ccc2c(c1)CCC2NC3COC3 269862a_100016991112_100000212051 [0,1,0,1,0,0|0,0,2]=4 7791 B16R3.1813 c1ccc2c(c1)CCC2NC3CSC3 269862a_100016994217_100000212051 [0,1,0,1,0,0|0,0,2]=4 7792 B16R3.1813 c1ccc2c(c1)CC[C@@H]2NC3CCC3 270004a_100016989578_100000241760 [0,1,0,1,0,0|0,0,2]=4 7793 B16R3.1813 c1ccc2c(c1)CC[C@@H]2NC3CCC3 34a_100016989578_100000749161 [0,1,0,1,0,0|0,0,2]=4 7794 B16R3.1813 c1ccc2c(c1)CC[C@@H]2NC3COC3 34a_100016989578_100009818527 [0,1,0,1,0,0|0,0,2]=4 7795 B16R3.12359 CC1(CC1)NC2CCc3c2cccc3 2230a_100000757604_200000721974 [0,1,0,1,0,0|0,0,2]=4 7796 B16R3.8 C1=CCN(C1)C2CCc3c2cccc3 269982a_100015195280_200000721974 [0,1,0,1,0,0|0,0,2]=4 7797 B16R3.8 c1ccc2c(c1)CCC2N3CCCC3 2230a_100000188435_200000721974 [0,1,0,1,0,0|0,0,2]=4 7798 B16R3.8 c1ccc2c(c1)CCC2N3CCCC3 269982a_100000188435_200000721974 [0,1,0,1,0,0|0,0,2]=4 7799 B16R3.8 c1ccc2c(c1)CCC2N3CCSC3 2230a_100011215254_200000721974 [0,1,0,1,0,0|0,0,2]=4 7800 B16R3.8 c1ccc2c(c1)CCC2N3CCSC3 269982a_100011215254_200000721974 [0,1,0,1,0,0|0,0,2]=4 7801 B16R3.1814 c1ccc2c(c1)CCC2CNC3CC3 34a_100020632452_100000211595 [0,1,0,1,0,0|0,0,2]=4 7802 B16R3.1814 c1ccc2c(c1)CCC2NCC3CC3 2230a_100000735609_200000721974 [0,1,0,1,0,0|0,0,2]=4 7803 B16R3.1814 c1ccc2c(c1)CC[C@@H]2NCC3CC3 2230a_100016989578_100000742324 [0,1,0,1,0,0|0,0,2]=4 7804 B16R3.1814 c1ccc2c(c1)CC[C@@H]2NCC3CC3 269862a_100016989578_100000741477 [0,1,0,1,0,0|0,0,2]=4 7805 B16R3.1814 c1ccc2c(c1)CC[C@@H]2NCC3CC3 34a_100016989578_100000742324 [0,1,0,1,0,0|0,0,2]=4 7806 B16R3.1814 c1ccc2c(c1)CC[C@@H]2NCC3CO3 2230a_100016989578_100011216344 [0,1,0,1,0,0|0,0,2]=4 7807 B16R3.1814 c1ccc2c(c1)CC[C@@H]2NCC3CO3 34a_100016989578_102125554688 [0,1,0,1,0,0|0,0,2]=4 7808 B16R3.67 CC1CN(C1)C2CCc3c2cccc3 2230a_100000702820_200000721974 [0,1,0,1,0,0|0,0,2]=4 7809 B16R3.67 CC1CN(C1)C2CCc3c2cccc3 269982a_100000702820_200000721974 [0,1,0,1,0,0|0,0,2]=4 7810 B16R3.67 FC1CN(C1)C2CCc3c2cccc3 2230a_100000690557_200000721974 [0,1,0,1,0,0|0,0,2]=4 7811 B16R3.67 FC1CN(C1)C2CCc3c2cccc3 269982a_100000690557_200000721974 [0,1,0,1,0,0|0,0,2]=4 7812 B16R3.67 OC1CN(C1)C2CCc3c2cccc3 269982a_100000749847_200000721974 [0,1,0,1,0,0|0,0,2]=4 7813 B16R3.28169 Brc1cccc2c1CCC2NC3CC3 34a_100000751068_100000211595 [0,1,0,1,0,0|0,0,2]=4 7814 B16R3.28169 Cc1cccc2c1CC[C@@H]2NC3CC3 34a_100134618347_100000211595 [0,1,0,1,0,0|0,0,2]=4 7815 B16R3.28169 Clc1cccc2c1CCC2NC3CC3 34a_100000743989_100000211595 [0,1,0,1,0,0|0,0,2]=4 7816 B16R3.28169 Fc1cccc2c1CC[C@@H]2NC3CC3 34a_100015193782_100000211595 [0,1,0,1,0,0|0,0,2]=4 7817 B16R3.28169 Oc1cccc2c1CC[C@@H]2NC3CC3 34a_100134616730_100000211595 [0,1,0,1,0,0|0,0,2]=4 7818 B16R3.2057 CN(C1CC1)C2CCc3c2cccc3 2230a_100000226674_200000721974 [0,1,0,1,0,0|0,0,2]=4 7819 B16R3.2057 CN(C1CC1)C2CCc3c2cccc3 2230a_100000743053_200000210301 [0,1,0,1,0,0|0,0,2]=4 7820 B16R3.2057 CN(C1CC1)C2CCc3c2cccc3 269982a_100000226674_200000721974 [0,1,0,1,0,0|0,0,2]=4 7821 B16R3.2057 CN(C1CC1)C2CCc3c2cccc3 269982a_100000743053_200000210301 [0,1,0,1,0,0|0,0,2]=4 7822 B16R3.2057 [13CH3]N(C1CC1)C2CCc3c2cccc3 2230a_100000743053_200025704644 [0,1,0,1,0,0|0,0,2]=4 7823 B16R3.2057 [13CH3]N(C1CC1)C2CCc3c2cccc3 269982a_100000743053_200025704644 [0,1,0,1,0,0|0,0,2]=4 7824 B16R3.2118 Brc1ccc2c(c1)CCC2NC3CC3 34a_100000744021_100000211595 [0,1,0,1,0,0|0,0,2]=4 7825 B16R3.2118 Cc1ccc2c(c1)CCC2NC3CC3 34a_200000746848_100000211595 [0,1,0,1,0,0|0,0,2]=4 7826 B16R3.2118 Clc1ccc2c(c1)CCC2NC3CC3 34a_100000743821_100000211595 [0,1,0,1,0,0|0,0,2]=4 7827 B16R3.2118 Fc1ccc2c(c1)CC[C@H]2NC3CC3 34a_100025717273_100000211595 [0,1,0,1,0,0|0,0,2]=4 7828 B16R3.28356 Brc1cccc2c1C(CC2)NC3CC3 34a_100103168669_100000211595 [0,1,0,1,0,0|0,0,2]=4 7829 B16R3.18707 Brc1ccc2c(c1)C(CC2)NC3CC3 34a_100011435097_100000211595 [0,1,0,1,0,0|0,0,2]=4 7830 B16R3.18707 Clc1ccc2c(c1)C(CC2)NC3CC3 34a_100016987686_100000211595 [0,1,0,1,0,0|0,0,2]=4 7831 B16R3.18707 Fc1ccc2c(c1)C(CC2)NC3CC3 34a_100000752734_100000211595 [0,1,0,1,0,0|0,0,2]=4 7832 B12R1.36 C#CCNC(CC)c1ccco1 2230a_100015202707_100000038162 [0,0,1,0,1,0|1,0,0]=3 7833 B12R1.36 C#CCNC(CC)c1cccs1 2230a_100000743277_100000038162 [0,0,1,0,1,0|1,0,0]=3 7834 B12R1.36 C#CCNC(CC)c1nccs1 2230a_103436540099_100000038162 [0,0,1,0,1,0|2,0,0]=4 7835 B12R1.36 C#CCNC(CO)c1cccs1 2230a_100102422791_100000038162 [0,0,1,0,1,0|2,0,0]=4 7836 B12R1.36 CCC(NCC#N)c1ccco1 2230a_100015202707_100011215382 [0,0,1,0,1,0|2,0,0]=4 7837 B12R1.36 CCC(NCC#N)c1cccs1 2230a_100000743277_100011215382 [0,0,1,0,1,0|2,0,0]=4 7838 B12R1.37 C#CCNCCCc1cccs1 34a_100000212058_100010992444 [0,0,1,0,1,0|1,0,0]=3 7839 B12R1.37 C#CCNCCCn1cccc1 34a_100000212058_200009814367 [0,0,1,0,1,0|1,0,0]=3 7840 B12R1.37 C#CCNCCCn1ccnc1 34a_100000212058_100000756272 [0,0,1,0,1,0|2,0,0]=4 7841 B12R1.37 C#CCOCCCc1cccs1 34a_100000210247_100010992444 [0,0,1,0,1,0|2,0,0]=4 7842 B12R1.37 C#CCOCCCc1cccs1 34a_100011713143_100000184674 [0,0,1,0,1,0|2,0,0]=4 7843 B12R1.37 C#CCOCCCc1cccs1 7a_100011713143_100000038162 [0,0,1,0,1,0|2,0,0]=4 7844 B12R1.37 C#CCOCCCc1ccsc1 34a_200000699776_100000184674 [0,0,1,0,1,0|2,0,0]=4 7845 B12R1.37 C#CCOCCCc1ccsc1 7a_200000699776_100000038162 [0,0,1,0,1,0|2,0,0]=4 7846 B12R1.37 C#CCOCCCn1cccc1 34a_100000179399_100000184674 [0,0,1,0,1,0|2,0,0]=4 7847 B12R1.37 C#CCOCCCn1cccc1 34a_100000210247_200009814367 [0,0,1,0,1,0|2,0,0]=4 7848 B12R1.37 C#CCOCCCn1cccc1 7a_100000179399_100000038162 [0,0,1,0,1,0|2,0,0]=4 7849 B12R1.37 C#CCSCCCc1cccs1 62a_100000038162_100010992444 [0,0,1,0,1,0|2,0,0]=4 7850 B12R1.37 C#CCSCCCn1cccc1 62a_100000038162_200009814367 [0,0,1,0,1,0|2,0,0]=4 7851 B12R1.45 C#CCNCc1cccn1CC 2230a_103496549365_100000038162 [0,0,1,0,1,0|1,0,0]=3 7852 B12R1.45 C#CCNCc1cccn1CC 34a_103496549365_100000184674 [0,0,1,0,1,0|1,0,0]=3 7853 B12R1.45 C#CCNCc1ccnn1CC 34a_100000212058_100025719316 [0,0,1,0,1,0|2,0,0]=4 7854 B12R1.45 C#CCNCc1cncn1CC 34a_100000212058_100015185705 [0,0,1,0,1,0|2,0,0]=4 7855 B12R1.45 CCn1cccc1CNCC#N 2230a_103496549365_100011215382 [0,0,1,0,1,0|2,0,0]=4 7856 B12R1.460 C#CCNC(C)c1ncsc1C 2230a_100020603492_100000038162 [0,0,1,0,1,0|2,0,0]=4 7857 B12R2.144 CCNC1CCc2c1ccs2 269862a_100015525214_100000011361 [1,0,0,0,1,0|1,0,1]=4 7858 B12R2.144 CCNC1CCc2c1scc2 269862a_100015525214_100000080523 [1,0,0,0,1,0|1,0,1]=4 7859 B12R2.931 CCSC1Cc2c1cccc2 62a_100000210202_100009813401 [1,0,0,0,1,0|1,0,1]=4 7860 B12R2.931 CCSC1Cc2c1cccc2 62a_100009813401_100000210202 [1,0,0,0,1,0|1,0,1]=4 7861 B12R2.931 COCC1Cc2c1cccc2 34a_100012476685_200000210301 [1,0,0,0,1,0|1,0,1]=4 7862 B12R2.931 COCC1Cc2c1cccc2 7a_100012476685_200000210301 [1,0,0,0,1,0|1,0,1]=4 7863 B12R2.931 FCSC1Cc2c1cccc2 62a_100009813401_100015361967 [1,0,0,0,1,0|2,0,0]=4 7864 B12R2.931 FCSC1Cc2c1cccc2 62a_100015361967_100009813401 [1,0,0,0,1,0|2,0,0]=4 7865 B12R2.931 [13CH3]OCC1Cc2c1cccc2 34a_100012476685_200025704644 [1,0,0,0,1,0|1,0,1]=4 7866 B12R2.931 [13CH3]OCC1Cc2c1cccc2 7a_100012476685_200025704644 [1,0,0,0,1,0|1,0,1]=4 7867 B14R1.467 C#CCCN(CC)Cc1ccccc1 2230a_100000186914_100000688953 [0,0,1,0,0,1|2,0,0]=4 7868 B14R1.467 C#CCCN(CC)Cc1ccccc1 269982a_100000186914_100000730999 [0,0,1,0,0,1|2,0,0]=4 7869 B14R1.467 C#CCNC(C#N)Cc1ccccc1 2230a_100000746547_100000038162 [0,0,1,0,0,1|1,0,1]=4 7870 B14R1.467 C#CCNC(CO)Cc1ccccc1 2230a_100000739027_100000038162 [0,0,1,0,0,1|1,0,0]=3 7871 B14R1.467 C#CCNC(CO)Cc1cccnc1 2230a_100000717814_100000038162 [0,0,1,0,0,1|2,0,0]=4 7872 B14R1.467 C#CCNC(CO)Cc1ccncc1 2230a_100000717866_100000038162 [0,0,1,0,0,1|2,0,0]=4 7873 B14R1.467 C#CCOC(CC)Cc1ccccc1 7a_100000760156_100000038162 [0,0,1,0,0,1|1,0,0]=3 7874 B14R1.467 C#CCOC(CN)Cc1ccccc1 34a_100000752270_100000184674 [0,0,1,0,0,1|2,0,0]=4 7875 B14R1.467 C#CCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100000038162 [0,0,1,0,0,1|2,0,0]=4 7876 B14R1.467 C=CCNC(CC)Cc1ccccc1 270004a_100020586998_100000212045 [0,0,1,0,0,1|0,0,2]=4 7877 B14R1.467 CCC(Cc1ccccc1)NCCO 270004a_100000210304_100000212045 [0,0,1,0,0,1|1,0,1]=4 7878 B14R1.467 CCC(Cc1ccccc1)OCC#N 7a_100000760156_100011215382 [0,0,1,0,0,1|2,0,0]=4 7879 B14R1.467 CCCNC(CC)Cc1ccccc1 270004a_100020643023_100000212045 [0,0,1,0,0,1|0,0,2]=4 7880 B14R1.467 N#CCNC(CO)Cc1ccccc1 2230a_100000739027_100011215382 [0,0,1,0,0,1|2,0,0]=4 7881 B14R1.946 C#CCCN(C)Cc1ccccc1C 2230a_100000184421_100000688953 [0,0,1,0,0,1|2,0,0]=4 7882 B14R1.946 C#CCCN(C)Cc1ccccc1C 269982a_100000184421_100000730999 [0,0,1,0,0,1|2,0,0]=4 7883 B14R1.946 C#CCNC(=O)Cc1ccccc1C 11a_100000212058_100000212180 [0,0,1,0,0,1|1,0,1]=4 7884 B14R1.946 C#CCNC(=O)Cc1ccccc1C 1626a_100000212058_100000212180 [0,0,1,0,0,1|1,0,1]=4 7885 B14R1.946 C#CCNC(=O)Cc1ccccc1C 240690a_100000212058_100000212180 [0,0,1,0,0,1|1,0,1]=4 7886 B14R1.946 C#CCNC(=O)Cc1ccccc1C 527a_100000212058_100000212180 [0,0,1,0,0,1|1,0,1]=4 7887 B14R1.946 C#CCNC(=O)Nc1ccccc1C 2430a_100015192222_100000212058 [0,0,1,0,0,1|1,0,1]=4 7888 B14R1.946 C=CCNC(C)Cc1ccccc1C 270004a_100020586998_200000764500 [0,0,1,0,0,1|0,0,2]=4 7889 B14R1.946 CCCNC(C)Cc1ccccc1C 270004a_100020643023_200000764500 [0,0,1,0,0,1|0,0,2]=4 7890 B14R1.946 Cc1ccccc1CC(C)NCCO 270004a_100000210304_200000764500 [0,0,1,0,0,1|1,0,1]=4 7891 B16R2.1294 C#CCCN1CCCc2ccccc2C1 2230a_100000059810_100000688953 [0,0,0,0,0,2|2,0,0]=4 7892 B16R2.1294 C#CCCN1CCCc2ccccc2C1 269982a_100000059810_100000730999 [0,0,0,0,0,2|2,0,0]=4 7893 B16R2.1294 C#CCCN1CCCc2ccccc2C1 34a_100000059810_100000688953 [0,0,0,0,0,2|2,0,0]=4 7894 B16R2.1294 C#CCCN1CCOc2ccccc2C1 2230a_100000744108_100000688953 [0,0,0,0,0,2|2,0,0]=4 7895 B16R2.1294 C#CCCN1CCOc2ccccc2C1 269982a_100000744108_100000730999 [0,0,0,0,0,2|2,0,0]=4 7896 B16R2.1294 C#CCCN1CCOc2ccccc2C1 34a_100000744108_100000688953 [0,0,0,0,0,2|2,0,0]=4 7897 B16R2.2943 C#CCCN1CCc2ccccc2CC1 2230a_100000044199_100000688953 [0,0,0,0,0,2|2,0,0]=4 7898 B16R2.2943 C#CCCN1CCc2ccccc2CC1 269982a_100000044199_100000730999 [0,0,0,0,0,2|2,0,0]=4 7899 B16R2.2943 C#CCCN1CCc2ccccc2CC1 34a_100000044199_100000688953 [0,0,0,0,0,2|2,0,0]=4 7900 B16R2.2943 C=CCNC1CCc2ccccc2CC1 270004a_100020586998_100009869843 [0,0,0,0,0,2|0,0,2]=4 7901 B16R2.2943 CCCNC1CCc2ccccc2CC1 270004a_100020643023_100009869843 [0,0,0,0,0,2|0,0,2]=4 7902 B16R2.2943 OCCNC1CCc2ccccc2CC1 270004a_100000210304_100009869843 [0,0,0,0,0,2|1,0,1]=4 7903 B16R2.164259 CCCNC1CCCCc2c1cccc2 269862a_100020643023_100000184060 [0,0,0,0,0,2|0,0,2]=4 7904 B16R2.164259 CCCNC1CCCOc2c1cccc2 269862a_100020643023_100000750279 [0,0,0,0,0,2|0,0,2]=4 7905 B16R2.164259 FCCNC1CCCCc2c1cccc2 269862a_100000724931_100000184060 [0,0,0,0,0,2|1,0,1]=4 7906 B16R2.164259 FCCNC1CCCOc2c1cccc2 269862a_100000724931_100000750279 [0,0,0,0,0,2|1,0,1]=4 7907 B16R2.164259 OCCNC1CCCCc2c1cccc2 269862a_100000210304_100000184060 [0,0,0,0,0,2|1,0,1]=4 7908 B16R2.164259 OCCNC1CCCOc2c1cccc2 269862a_100000210304_100000750279 [0,0,0,0,0,2|1,0,1]=4