0 B11R1.40 C#CC(=O)Cc1ccccc1 1458a_100000211873_100015291786 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.40 C#CC(C)Nc1ccccc1 34a_100000106764_200000035995 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.40 C#CC(C)Oc1ccccc1 34a_100000210340_200000035995 [0,0,0,0,0,0|2,0,1]=3 3 B11R1.40 C#CC(C)Oc1cccnc1 34a_100000210849_200000035995 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.40 C#CC(C)Oc1ccncc1 34a_100000212176_200000035995 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.40 C#CC(C)Sc1ccccc1 62a_200000035995_100000041952 [0,0,0,0,0,0|2,0,1]=3 6 B11R1.40 C#CC(C)Sc1ccccn1 62a_200000035995_100011216584 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.40 C#CC(C)Sc1cccnc1 62a_200000035995_100000210063 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.40 C#CC(C)Sc1ccncc1 62a_200000035995_100000728582 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.40 C=CC(=O)Cc1ccccc1 1458a_100000185746_100015291786 [0,0,0,0,0,0|2,0,2]=4 10 B11R1.40 C=CC(C)Sc1ccccc1 62a_100011215867_100000041952 [0,0,0,0,0,0|2,0,1]=3 11 B11R1.40 C=CC(C)Sc1ccccn1 62a_100011215867_100011216584 [0,0,0,0,0,0|3,0,1]=4 12 B11R1.40 C=CC(C)Sc1cccnc1 62a_100011215867_100000210063 [0,0,0,0,0,0|3,0,1]=4 13 B11R1.40 C=CC(C)Sc1ccncc1 62a_100011215867_100000728582 [0,0,0,0,0,0|3,0,1]=4 14 B11R1.40 CC(C#N)Oc1ccccc1 7a_100000210340_100000703298 [0,0,0,0,0,0|3,0,0]=3 15 B11R1.40 CC(C#N)Oc1cccnc1 7a_100000210849_100000703298 [0,0,0,0,0,0|4,0,0]=4 16 B11R1.40 CC(C#N)Sc1ccccc1 62a_100000703298_100000041952 [0,0,0,0,0,0|3,0,0]=3 17 B11R1.40 CC(C#N)Sc1ccccc1 62a_100000719477_100000703298 [0,0,0,0,0,0|3,0,0]=3 18 B11R1.40 CC(C#N)Sc1ccccn1 62a_100000703298_100011216584 [0,0,0,0,0,0|4,0,0]=4 19 B11R1.40 CC(C#N)Sc1ccccn1 62a_100011216584_100000703298 [0,0,0,0,0,0|4,0,0]=4 20 B11R1.40 CC(C#N)Sc1cccnc1 62a_100000210063_100000703298 [0,0,0,0,0,0|4,0,0]=4 21 B11R1.40 CC(C#N)Sc1cccnc1 62a_100000703298_100000210063 [0,0,0,0,0,0|4,0,0]=4 22 B11R1.40 CC(C#N)Sc1ccncc1 62a_100000703298_100000728582 [0,0,0,0,0,0|4,0,0]=4 23 B11R1.40 CC(C#N)Sc1ccncc1 62a_100000728582_100000703298 [0,0,0,0,0,0|4,0,0]=4 24 B11R1.40 CC(CO)Nc1ccccc1 34a_100000106764_100012180447 [0,0,0,0,0,0|3,0,0]=3 25 B11R1.40 CC(CO)Oc1ccccc1 34a_100000210340_100012180447 [0,0,0,0,0,0|3,0,0]=3 26 B11R1.40 CC(CO)Oc1ccccc1 7a_100000210340_100012180447 [0,0,0,0,0,0|3,0,0]=3 27 B11R1.40 CC(CO)Oc1cccnc1 34a_100000210849_100012180447 [0,0,0,0,0,0|4,0,0]=4 28 B11R1.40 CC(CO)Oc1cccnc1 7a_100000210849_100012180447 [0,0,0,0,0,0|4,0,0]=4 29 B11R1.40 CC(CO)Oc1ccncc1 34a_100000212176_100012180447 [0,0,0,0,0,0|4,0,0]=4 30 B11R1.40 CC(CO)Sc1ccccc1 62a_100012180447_100000041952 [0,0,0,0,0,0|3,0,0]=3 31 B11R1.40 CC(CO)Sc1ccccn1 62a_100012180447_100011216584 [0,0,0,0,0,0|4,0,0]=4 32 B11R1.40 CC(CO)Sc1cccnc1 62a_100012180447_100000210063 [0,0,0,0,0,0|4,0,0]=4 33 B11R1.40 CC(CO)Sc1ccncc1 62a_100012180447_100000728582 [0,0,0,0,0,0|4,0,0]=4 34 B11R1.40 CC(Cc1ccccc1)O[13CH3] 34a_100000748627_200025704644 [0,0,0,0,0,0|1,0,0]=1 35 B11R1.40 CC(Cc1ccccc1)O[13CH3] 7a_100000748627_200025704644 [0,0,0,0,0,0|1,0,0]=1 36 B11R1.40 CC(Cc1ccccc1)S[13CH3] 62a_200011218536_200025704644 [0,0,0,0,0,0|1,0,0]=1 37 B11R1.40 CC(Cc1ccccc1)S[13CH3] 62a_200025704644_200011218536 [0,0,0,0,0,0|1,0,0]=1 38 B11R1.40 CC(Cc1ccccn1)N[13CH3] 2230a_100000238496_200025704644 [0,0,0,0,0,0|1,0,0]=1 39 B11R1.40 CC(Cc1cccnc1)N[13CH3] 2230a_100011207255_200025704644 [0,0,0,0,0,0|1,0,0]=1 40 B11R1.40 CC(Cc1cnccn1)N[13CH3] 2230a_100011277835_200025704644 [0,0,0,0,0,0|2,0,0]=2 41 B11R1.40 CCC(=O)C[n+]1ccccc1 1458a_200000086051_100000210202 [0,0,0,0,0,0|3,0,1]=4 42 B11R1.40 CCC(=O)Cc1ccccc1 1458a_100000210414_100015291786 [0,0,0,0,0,0|2,0,1]=3 43 B11R1.40 CCC(=O)Cc1ccccn1 1458a_100000210414_100000721315 [0,0,0,0,0,0|3,0,1]=4 44 B11R1.40 CCC(=O)Cc1ccccn1 1458a_100000233486_100000210202 [0,0,0,0,0,0|3,0,1]=4 45 B11R1.40 CCC(=O)Cc1cccnc1 1458a_100000210414_100000733263 [0,0,0,0,0,0|3,0,1]=4 46 B11R1.40 CCC(=O)Cc1cccnc1 1458a_100000737805_100000210202 [0,0,0,0,0,0|3,0,1]=4 47 B11R1.40 CCC(=O)Cc1ccncc1 1458a_100000210414_100000705612 [0,0,0,0,0,0|3,0,1]=4 48 B11R1.40 CCC(=O)Nc1ccccc1 11a_100000106764_100000210414 [0,0,0,0,0,0|3,0,1]=4 49 B11R1.40 CCC(=O)Nc1ccccc1 1626a_100000106764_100000210414 [0,0,0,0,0,0|3,0,1]=4 50 B11R1.40 CCC(=O)Nc1ccccc1 22a_100000106764_100000210414 [0,0,0,0,0,0|3,0,1]=4 51 B11R1.40 CCC(=O)Nc1ccccc1 527a_100000106764_100000210414 [0,0,0,0,0,0|3,0,1]=4 52 B11R1.40 CCC(C)Nc1ccccc1 34a_100000106764_100011215416 [0,0,0,0,0,0|2,0,0]=2 53 B11R1.40 CCC(C)Oc1ccccc1 34a_100000210340_100011215416 [0,0,0,0,0,0|2,0,0]=2 54 B11R1.40 CCC(C)Oc1ccccc1 7a_100000210340_100000758301 [0,0,0,0,0,0|2,0,0]=2 55 B11R1.40 CCC(C)Oc1cccnc1 34a_100000210849_100011215416 [0,0,0,0,0,0|3,0,0]=3 56 B11R1.40 CCC(C)Oc1cccnc1 7a_100000210849_100000758301 [0,0,0,0,0,0|3,0,0]=3 57 B11R1.40 CCC(C)Oc1ccncc1 34a_100000212176_100011215416 [0,0,0,0,0,0|3,0,0]=3 58 B11R1.40 CCC(C)Oc1ccnnc1 34a_100015204005_100011215416 [0,0,0,0,0,0|4,0,0]=4 59 B11R1.40 CCC(C)Oc1cncnc1 7a_100000754086_100000758301 [0,0,0,0,0,0|4,0,0]=4 60 B11R1.40 CCC(C)Sc1ccccc1 62a_100000719477_100000758301 [0,0,0,0,0,0|2,0,0]=2 61 B11R1.40 CCC(C)Sc1ccccc1 62a_100000758301_100000041952 [0,0,0,0,0,0|2,0,0]=2 62 B11R1.40 CCC(C)Sc1ccccn1 62a_100000758301_100011216584 [0,0,0,0,0,0|3,0,0]=3 63 B11R1.40 CCC(C)Sc1ccccn1 62a_100011216584_100000758301 [0,0,0,0,0,0|3,0,0]=3 64 B11R1.40 CCC(C)Sc1cccnc1 62a_100000210063_100000758301 [0,0,0,0,0,0|3,0,0]=3 65 B11R1.40 CCC(C)Sc1cccnc1 62a_100000758301_100000210063 [0,0,0,0,0,0|3,0,0]=3 66 B11R1.40 CCC(C)Sc1cccnn1 62a_100000758301_100016991348 [0,0,0,0,0,0|4,0,0]=4 67 B11R1.40 CCC(C)Sc1cccnn1 62a_100016991348_100000758301 [0,0,0,0,0,0|4,0,0]=4 68 B11R1.40 CCC(C)Sc1ccncc1 62a_100000728582_100000758301 [0,0,0,0,0,0|3,0,0]=3 69 B11R1.40 CCC(C)Sc1ccncc1 62a_100000758301_100000728582 [0,0,0,0,0,0|3,0,0]=3 70 B11R1.40 CCC(C)Sc1ccncn1 62a_100000703185_100000758301 [0,0,0,0,0,0|4,0,0]=4 71 B11R1.40 CCC(C)Sc1ccncn1 62a_100000758301_100000703185 [0,0,0,0,0,0|4,0,0]=4 72 B11R1.40 CCC(C)Sc1ccnnc1 62a_100000732662_100000758301 [0,0,0,0,0,0|4,0,0]=4 73 B11R1.40 CCC(C)Sc1ccnnc1 62a_100000758301_100000732662 [0,0,0,0,0,0|4,0,0]=4 74 B11R1.40 CCC(C)Sc1cnccn1 62a_100000211759_100000758301 [0,0,0,0,0,0|4,0,0]=4 75 B11R1.40 CCC(C)Sc1cnccn1 62a_100000758301_100000211759 [0,0,0,0,0,0|4,0,0]=4 76 B11R1.40 CCC(C)Sc1cncnc1 62a_100000758301_100011206942 [0,0,0,0,0,0|4,0,0]=4 77 B11R1.40 CCC(C)Sc1cncnc1 62a_100011206942_100000758301 [0,0,0,0,0,0|4,0,0]=4 78 B11R1.40 CCC(C)Sc1ncccn1 62a_100000211032_100000758301 [0,0,0,0,0,0|4,0,0]=4 79 B11R1.40 CCC(C)Sc1ncccn1 62a_100000758301_100000211032 [0,0,0,0,0,0|4,0,0]=4 80 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000186898_100000210202 [0,0,0,0,0,0|2,0,0]=2 81 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000186914_200000210301 [0,0,0,0,0,0|2,0,0]=2 82 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000225621_100015291786 [0,0,0,0,0,0|2,0,0]=2 83 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000186898_100000204670 [0,0,0,0,0,0|2,0,0]=2 84 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000186914_200000210301 [0,0,0,0,0,0|2,0,0]=2 85 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000225621_100000211182 [0,0,0,0,0,0|2,0,0]=2 86 B11R1.40 CCN(C)Cc1ccccn1 2230a_100000201164_200000210301 [0,0,0,0,0,0|3,0,0]=3 87 B11R1.40 CCN(C)Cc1ccccn1 2230a_100000207498_100000210202 [0,0,0,0,0,0|3,0,0]=3 88 B11R1.40 CCN(C)Cc1ccccn1 2230a_100000225621_100000721315 [0,0,0,0,0,0|3,0,0]=3 89 B11R1.40 CCN(C)Cc1ccccn1 269982a_100000201164_200000210301 [0,0,0,0,0,0|3,0,0]=3 90 B11R1.40 CCN(C)Cc1ccccn1 269982a_100000207498_100000204670 [0,0,0,0,0,0|3,0,0]=3 91 B11R1.40 CCN(C)Cc1ccccn1 269982a_100000225621_100000721315 [0,0,0,0,0,0|3,0,0]=3 92 B11R1.40 CCN(C)Cc1cccnc1 2230a_100000184577_100000210202 [0,0,0,0,0,0|3,0,0]=3 93 B11R1.40 CCN(C)Cc1cccnc1 2230a_100000186920_200000210301 [0,0,0,0,0,0|3,0,0]=3 94 B11R1.40 CCN(C)Cc1cccnc1 2230a_100000225621_100000741622 [0,0,0,0,0,0|3,0,0]=3 95 B11R1.40 CCN(C)Cc1cccnc1 269982a_100000184577_100000204670 [0,0,0,0,0,0|3,0,0]=3 96 B11R1.40 CCN(C)Cc1cccnc1 269982a_100000186920_200000210301 [0,0,0,0,0,0|3,0,0]=3 97 B11R1.40 CCN(C)Cc1cccnc1 269982a_100000225621_100000733263 [0,0,0,0,0,0|3,0,0]=3 98 B11R1.40 CCN(C)Cc1cccnn1 2230a_100000225621_100016990269 [0,0,0,0,0,0|4,0,0]=4 99 B11R1.40 CCN(C)Cc1ccncc1 2230a_100000186919_200000210301 [0,0,0,0,0,0|3,0,0]=3 100 B11R1.40 CCN(C)Cc1ccncc1 2230a_100000187231_100000210202 [0,0,0,0,0,0|3,0,0]=3 101 B11R1.40 CCN(C)Cc1ccncc1 2230a_100000225621_100015193705 [0,0,0,0,0,0|3,0,0]=3 102 B11R1.40 CCN(C)Cc1ccncc1 269982a_100000186919_200000210301 [0,0,0,0,0,0|3,0,0]=3 103 B11R1.40 CCN(C)Cc1ccncc1 269982a_100000187231_100000204670 [0,0,0,0,0,0|3,0,0]=3 104 B11R1.40 CCN(C)Cc1ccncc1 269982a_100000225621_100015193705 [0,0,0,0,0,0|3,0,0]=3 105 B11R1.40 CCN(C)Cc1cnccn1 2230a_100000225621_100016995436 [0,0,0,0,0,0|4,0,0]=4 106 B11R1.40 CCN(C)Cc1cnccn1 2230a_100011269079_100000210202 [0,0,0,0,0,0|4,0,0]=4 107 B11R1.40 CCN(C)Cc1cnccn1 269982a_100000225621_100016995436 [0,0,0,0,0,0|4,0,0]=4 108 B11R1.40 CCN(C)Cc1cnccn1 269982a_100011269079_100000204670 [0,0,0,0,0,0|4,0,0]=4 109 B11R1.40 CCN(C)Cc1cncnc1 2230a_100000225621_100015196519 [0,0,0,0,0,0|4,0,0]=4 110 B11R1.40 CCN(C)Cc1cncnc1 269982a_100000225621_100016991940 [0,0,0,0,0,0|4,0,0]=4 111 B11R1.40 CCN(C)Cc1ncccn1 2230a_100000225621_100000703007 [0,0,0,0,0,0|4,0,0]=4 112 B11R1.40 CCN(C)Cc1ncccn1 2230a_100025716638_100000210202 [0,0,0,0,0,0|4,0,0]=4 113 B11R1.40 CCN(C)Cc1ncccn1 269982a_100000225621_100000703007 [0,0,0,0,0,0|4,0,0]=4 114 B11R1.40 CCN(C)Cc1ncccn1 269982a_100025716638_100000204670 [0,0,0,0,0,0|4,0,0]=4 115 B11R1.40 CCN([13CH3])Cc1ccccc1 2230a_100000186914_200025704644 [0,0,0,0,0,0|2,0,0]=2 116 B11R1.40 CCN([13CH3])Cc1ccccc1 269982a_100000186914_200025704644 [0,0,0,0,0,0|2,0,0]=2 117 B11R1.40 CCN([13CH3])Cc1ccccn1 2230a_100000201164_200025704644 [0,0,0,0,0,0|3,0,0]=3 118 B11R1.40 CCN([13CH3])Cc1ccccn1 269982a_100000201164_200025704644 [0,0,0,0,0,0|3,0,0]=3 119 B11R1.40 CCN([13CH3])Cc1cccnc1 2230a_100000186920_200025704644 [0,0,0,0,0,0|3,0,0]=3 120 B11R1.40 CCN([13CH3])Cc1cccnc1 269982a_100000186920_200025704644 [0,0,0,0,0,0|3,0,0]=3 121 B11R1.40 CCN([13CH3])Cc1ccncc1 2230a_100000186919_200025704644 [0,0,0,0,0,0|3,0,0]=3 122 B11R1.40 CCN([13CH3])Cc1ccncc1 269982a_100000186919_200025704644 [0,0,0,0,0,0|3,0,0]=3 123 B11R1.40 CN(CF)Cc1ccccc1 269982a_100000186898_100015361967 [0,0,0,0,0,0|3,0,0]=3 124 B11R1.40 CN(CF)Cc1ccccn1 269982a_100000207498_100015361967 [0,0,0,0,0,0|4,0,0]=4 125 B11R1.40 CN(CF)Cc1cccnc1 269982a_100000184577_100015361967 [0,0,0,0,0,0|4,0,0]=4 126 B11R1.40 CN(CF)Cc1ccncc1 269982a_100000187231_100015361967 [0,0,0,0,0,0|4,0,0]=4 127 B11R1.40 CNC(=O)C[n+]1ccccc1 11a_106832991635_200000086051 [0,0,0,0,0,0|2,0,1]=3 128 B11R1.40 CNC(=O)C[n+]1ccccc1 240690a_100102657272_200000086051 [0,0,0,0,0,0|2,0,1]=3 129 B11R1.40 CNC(=O)C[n+]1ccccc1 527a_100102657272_200000086051 [0,0,0,0,0,0|2,0,1]=3 130 B11R1.40 CNC(=O)Cc1ccccn1 11a_106832991635_100000233486 [0,0,0,0,0,0|2,0,1]=3 131 B11R1.40 CNC(=O)Cc1cccnc1 11a_106832991635_100000737805 [0,0,0,0,0,0|2,0,1]=3 132 B11R1.40 CNC(=O)Cc1cccnc1 240690a_100102657272_100000737805 [0,0,0,0,0,0|2,0,1]=3 133 B11R1.40 CNC(=O)Cc1cccnc1 527a_100102657272_100000737805 [0,0,0,0,0,0|2,0,1]=3 134 B11R1.40 CNC(=O)Cc1ccncc1 11a_106832991635_100011201483 [0,0,0,0,0,0|2,0,1]=3 135 B11R1.40 CNC(=O)Cc1ccncc1 240690a_100102657272_100011201483 [0,0,0,0,0,0|2,0,1]=3 136 B11R1.40 CNC(=O)Cc1cnccn1 11a_106832991635_100000726051 [0,0,0,0,0,0|3,0,1]=4 137 B11R1.40 CNC(=O)Cc1cnccn1 240690a_100102657272_100000726051 [0,0,0,0,0,0|3,0,1]=4 138 B11R1.40 CNC(=O)Cc1cnccn1 527a_100102657272_100000726051 [0,0,0,0,0,0|3,0,1]=4 139 B11R1.40 CNC(=O)Cc1cncnc1 11a_106832991635_100000721575 [0,0,0,0,0,0|3,0,1]=4 140 B11R1.40 CNC(=O)Cc1cncnc1 240690a_100102657272_100000721575 [0,0,0,0,0,0|3,0,1]=4 141 B11R1.40 CNC(=O)Cc1cncnc1 527a_100102657272_100000721575 [0,0,0,0,0,0|3,0,1]=4 142 B11R1.40 CNC(=O)Nc1ccccc1 2430a_100000106764_100102657272 [0,0,0,0,0,0|2,0,1]=3 143 B11R1.40 CNC(C)C[n+]1ccccc1 270004a_106832991635_100000034229 [0,0,0,0,0,0|1,0,0]=1 144 B11R1.40 CNC(C)Cc1ccccc1 34a_100102657272_200011218536 [0,0,0,0,0,0|0,0,0]=0 145 B11R1.40 CNC(C)Cc1ccccc1 7a_106832991635_200011218536 [0,0,0,0,0,0|0,0,0]=0 146 B11R1.40 CNC(C)Cc1ccccn1 2230a_100000238496_200000210301 [0,0,0,0,0,0|1,0,0]=1 147 B11R1.40 CNC(C)Cc1cccnc1 2230a_100011207255_200000210301 [0,0,0,0,0,0|1,0,0]=1 148 B11R1.40 CNC(C)Cc1cccnc1 270004a_106832991635_100015187140 [0,0,0,0,0,0|1,0,0]=1 149 B11R1.40 CNC(C)Cc1ccncc1 270004a_106832991635_100000238508 [0,0,0,0,0,0|1,0,0]=1 150 B11R1.40 CNC(C)Cc1cnccn1 2230a_100011277835_200000210301 [0,0,0,0,0,0|2,0,0]=2 151 B11R1.40 CNC(C)Cc1cnccn1 270004a_106832991635_100015184882 [0,0,0,0,0,0|2,0,0]=2 152 B11R1.40 COC(C)Cc1ccccc1 34a_100000748627_200000210301 [0,0,0,0,0,0|1,0,0]=1 153 B11R1.40 COC(C)Cc1ccccc1 34a_100138415774_200011218536 [0,0,0,0,0,0|1,0,0]=1 154 B11R1.40 COC(C)Cc1ccccc1 7a_100000748627_200000210301 [0,0,0,0,0,0|1,0,0]=1 155 B11R1.40 COC(C)Sc1ccccc1 62a_100000719477_100009879195 [0,0,0,0,0,0|2,0,0]=2 156 B11R1.40 COC(C)Sc1ccccc1 62a_100009879195_100000041952 [0,0,0,0,0,0|2,0,0]=2 157 B11R1.40 COC(C)Sc1ccccn1 62a_100009879195_100011216584 [0,0,0,0,0,0|3,0,0]=3 158 B11R1.40 COC(C)Sc1ccccn1 62a_100011216584_100009879195 [0,0,0,0,0,0|3,0,0]=3 159 B11R1.40 COC(C)Sc1cccnc1 62a_100000210063_100009879195 [0,0,0,0,0,0|3,0,0]=3 160 B11R1.40 COC(C)Sc1cccnc1 62a_100009879195_100000210063 [0,0,0,0,0,0|3,0,0]=3 161 B11R1.40 COC(C)Sc1cccnn1 62a_100009879195_100016991348 [0,0,0,0,0,0|4,0,0]=4 162 B11R1.40 COC(C)Sc1cccnn1 62a_100016991348_100009879195 [0,0,0,0,0,0|4,0,0]=4 163 B11R1.40 COC(C)Sc1ccncc1 62a_100000728582_100009879195 [0,0,0,0,0,0|3,0,0]=3 164 B11R1.40 COC(C)Sc1ccncc1 62a_100009879195_100000728582 [0,0,0,0,0,0|3,0,0]=3 165 B11R1.40 COC(C)Sc1ccncn1 62a_100000703185_100009879195 [0,0,0,0,0,0|4,0,0]=4 166 B11R1.40 COC(C)Sc1ccncn1 62a_100009879195_100000703185 [0,0,0,0,0,0|4,0,0]=4 167 B11R1.40 COC(C)Sc1ccnnc1 62a_100000732662_100009879195 [0,0,0,0,0,0|4,0,0]=4 168 B11R1.40 COC(C)Sc1ccnnc1 62a_100009879195_100000732662 [0,0,0,0,0,0|4,0,0]=4 169 B11R1.40 COC(C)Sc1cnccn1 62a_100000211759_100009879195 [0,0,0,0,0,0|4,0,0]=4 170 B11R1.40 COC(C)Sc1cnccn1 62a_100009879195_100000211759 [0,0,0,0,0,0|4,0,0]=4 171 B11R1.40 COC(C)Sc1cncnc1 62a_100009879195_100011206942 [0,0,0,0,0,0|4,0,0]=4 172 B11R1.40 COC(C)Sc1cncnc1 62a_100011206942_100009879195 [0,0,0,0,0,0|4,0,0]=4 173 B11R1.40 COC(C)Sc1ncccn1 62a_100000211032_100009879195 [0,0,0,0,0,0|4,0,0]=4 174 B11R1.40 COC(C)Sc1ncccn1 62a_100009879195_100000211032 [0,0,0,0,0,0|4,0,0]=4 175 B11R1.40 CSC(C)Cc1ccccc1 62a_200000210301_200011218536 [0,0,0,0,0,0|1,0,0]=1 176 B11R1.40 CSC(C)Cc1ccccc1 62a_200011218536_200000210301 [0,0,0,0,0,0|1,0,0]=1 177 B11R1.40 C[C@H](CO)Sc1ccccc1 62a_100000719477_100016084084 [0,0,0,0,0,0|3,0,0]=3 178 B11R1.40 C[C@H](CO)Sc1ccccc1 62a_100016084084_100000041952 [0,0,0,0,0,0|3,0,0]=3 179 B11R1.40 C[C@H](CO)Sc1ccccn1 62a_100011216584_100016084084 [0,0,0,0,0,0|4,0,0]=4 180 B11R1.40 C[C@H](CO)Sc1ccccn1 62a_100016084084_100011216584 [0,0,0,0,0,0|4,0,0]=4 181 B11R1.40 C[C@H](CO)Sc1cccnc1 62a_100000210063_100016084084 [0,0,0,0,0,0|4,0,0]=4 182 B11R1.40 C[C@H](CO)Sc1cccnc1 62a_100016084084_100000210063 [0,0,0,0,0,0|4,0,0]=4 183 B11R1.40 C[C@H](CO)Sc1ccncc1 62a_100000728582_100016084084 [0,0,0,0,0,0|4,0,0]=4 184 B11R1.40 C[C@H](CO)Sc1ccncc1 62a_100016084084_100000728582 [0,0,0,0,0,0|4,0,0]=4 185 B11R1.40 N#CC(F)Sc1ccccc1 62a_100000719477_200000117898 [0,0,0,0,0,0|4,0,0]=4 186 B11R1.40 N#CC(F)Sc1ccccc1 62a_200000117898_100000041952 [0,0,0,0,0,0|4,0,0]=4 187 B11R1.40 O=C(CO)Cc1ccccc1 1458a_100000210174_100015291786 [0,0,0,0,0,0|3,0,1]=4 188 B10R1.17 C#CCNc1ccccc1 34a_100000106764_100000184674 [1,0,0,0,0,0|2,0,1]=4 189 B10R1.17 C#CCOc1ccccc1 34a_100000210340_100000184674 [1,0,0,0,0,0|2,0,1]=4 190 B10R1.17 C#CCOc1ccccc1 7a_100000210340_100000038162 [1,0,0,0,0,0|2,0,1]=4 191 B10R1.17 C#CCSc1ccccc1 62a_100000038162_100000041952 [1,0,0,0,0,0|2,0,1]=4 192 B10R1.17 C=CCNc1ccccc1 34a_100000106764_100015514636 [1,0,0,0,0,0|2,0,1]=4 193 B10R1.17 C=CCOc1ccccc1 34a_100000210340_100015514636 [1,0,0,0,0,0|2,0,1]=4 194 B10R1.17 C=CCOc1ccccc1 7a_100000210340_100015514636 [1,0,0,0,0,0|2,0,1]=4 195 B10R1.17 C=CCSc1ccccc1 62a_100000210623_100000041952 [1,0,0,0,0,0|2,0,1]=4 196 B10R1.17 C=CCSc1ccccc1 62a_100000719477_100000210623 [1,0,0,0,0,0|2,0,1]=4 197 B10R1.17 CC=NNc1ccccc1 4a_100015195140_200000210099 [1,0,0,0,0,0|3,0,0]=4 198 B10R1.17 CCCCc1ccccc1 271570a_100020621405_100000210277 [1,0,0,0,0,0|1,0,0]=2 199 B10R1.17 CCCCc1ccccn1 271570a_100020621405_100011216584 [1,0,0,0,0,0|2,0,0]=3 200 B10R1.17 CCCCc1cccnc1 271570a_100020621405_100000752921 [1,0,0,0,0,0|2,0,0]=3 201 B10R1.17 CCCCc1cccnn1 271570a_100020621405_100016991348 [1,0,0,0,0,0|3,0,0]=4 202 B10R1.17 CCCCc1ccncc1 271570a_100020621405_100000035832 [1,0,0,0,0,0|2,0,0]=3 203 B10R1.17 CCCCc1ccncn1 271570a_100020621405_100000703185 [1,0,0,0,0,0|3,0,0]=4 204 B10R1.17 CCCCc1ccnnc1 271570a_100020621405_100000732662 [1,0,0,0,0,0|3,0,0]=4 205 B10R1.17 CCCCc1cnccn1 271570a_100020621405_100000758340 [1,0,0,0,0,0|3,0,0]=4 206 B10R1.17 CCCCc1cncnc1 271570a_100020621405_100011206942 [1,0,0,0,0,0|3,0,0]=4 207 B10R1.17 CCCCc1ncccn1 271570a_100020621405_100000211032 [1,0,0,0,0,0|3,0,0]=4 208 B10R1.17 CCCNc1ccccc1 34a_100000106764_100000210303 [1,0,0,0,0,0|2,0,0]=3 209 B10R1.17 CCCOc1ccccc1 34a_100000210340_100000210303 [1,0,0,0,0,0|2,0,0]=3 210 B10R1.17 CCCOc1ccccc1 7a_100000210340_100000210303 [1,0,0,0,0,0|2,0,0]=3 211 B10R1.17 CCCOc1cccnc1 34a_100000210849_100000210303 [1,0,0,0,0,0|3,0,0]=4 212 B10R1.17 CCCOc1cccnc1 7a_100000210849_100000210303 [1,0,0,0,0,0|3,0,0]=4 213 B10R1.17 CCCOc1ccncc1 34a_100000212176_100000210303 [1,0,0,0,0,0|3,0,0]=4 214 B10R1.17 CCCSc1ccccc1 62a_100000210303_100000041952 [1,0,0,0,0,0|2,0,0]=3 215 B10R1.17 CCCSc1ccccc1 62a_100000719477_100000210303 [1,0,0,0,0,0|2,0,0]=3 216 B10R1.17 CCCSc1ccccn1 62a_100000210303_100011216584 [1,0,0,0,0,0|3,0,0]=4 217 B10R1.17 CCCSc1ccccn1 62a_100011216584_100000210303 [1,0,0,0,0,0|3,0,0]=4 218 B10R1.17 CCCSc1cccnc1 62a_100000210063_100000210303 [1,0,0,0,0,0|3,0,0]=4 219 B10R1.17 CCCSc1cccnc1 62a_100000210303_100000210063 [1,0,0,0,0,0|3,0,0]=4 220 B10R1.17 CCCSc1ccncc1 62a_100000210303_100000728582 [1,0,0,0,0,0|3,0,0]=4 221 B10R1.17 CCCSc1ccncc1 62a_100000728582_100000210303 [1,0,0,0,0,0|3,0,0]=4 222 B10R1.17 CCNCc1ccccc1 207a_100015525214_100015611070 [1,0,0,0,0,0|2,0,0]=3 223 B10R1.17 CCNCc1ccccc1 2230a_100015324214_100000210202 [1,0,0,0,0,0|2,0,0]=3 224 B10R1.17 CCNCc1ccccc1 2230a_100015525214_100015291786 [1,0,0,0,0,0|2,0,0]=3 225 B10R1.17 CCNCc1ccccc1 270004a_100015525214_100015611070 [1,0,0,0,0,0|2,0,0]=3 226 B10R1.17 CCNCc1ccccc1 34a_100015324214_100000210202 [1,0,0,0,0,0|2,0,0]=3 227 B10R1.17 CCNCc1ccccn1 207a_100015525214_100000209966 [1,0,0,0,0,0|3,0,0]=4 228 B10R1.17 CCNCc1ccccn1 2230a_100015525214_100000721315 [1,0,0,0,0,0|3,0,0]=4 229 B10R1.17 CCNCc1ccccn1 270004a_100015525214_100000209966 [1,0,0,0,0,0|3,0,0]=4 230 B10R1.17 CCNCc1cccnc1 207a_100015525214_100000209961 [1,0,0,0,0,0|3,0,0]=4 231 B10R1.17 CCNCc1cccnc1 2230a_100015525214_100000741622 [1,0,0,0,0,0|3,0,0]=4 232 B10R1.17 CCNCc1cccnc1 270004a_100015525214_100000209961 [1,0,0,0,0,0|3,0,0]=4 233 B10R1.17 CCNCc1ccncc1 207a_100015525214_100000186114 [1,0,0,0,0,0|3,0,0]=4 234 B10R1.17 CCNCc1ccncc1 2230a_100015525214_100015193705 [1,0,0,0,0,0|3,0,0]=4 235 B10R1.17 CCOCc1ccccc1 34a_100000210790_100000210202 [1,0,0,0,0,0|2,0,0]=3 236 B10R1.17 CCOCc1ccccc1 34a_100121572206_100015291786 [1,0,0,0,0,0|2,0,0]=3 237 B10R1.17 CCOCc1ccccc1 7a_100000210790_100000210202 [1,0,0,0,0,0|2,0,0]=3 238 B10R1.17 CCOCc1ccccn1 34a_100121572206_100000721315 [1,0,0,0,0,0|3,0,0]=4 239 B10R1.17 CCOCc1cccnc1 34a_100121572206_100000733263 [1,0,0,0,0,0|3,0,0]=4 240 B10R1.17 CCSCc1ccccc1 62a_100000210202_100015291786 [1,0,0,0,0,0|2,0,0]=3 241 B10R1.17 CCSCc1ccccc1 62a_100000211182_100000210202 [1,0,0,0,0,0|2,0,0]=3 242 B10R1.17 CCSCc1ccccn1 62a_100000210202_100000721315 [1,0,0,0,0,0|3,0,0]=4 243 B10R1.17 CCSCc1ccccn1 62a_100000721315_100000210202 [1,0,0,0,0,0|3,0,0]=4 244 B10R1.17 CCSCc1cccnc1 62a_100000210202_100000741622 [1,0,0,0,0,0|3,0,0]=4 245 B10R1.17 CCSCc1cccnc1 62a_100000741622_100000210202 [1,0,0,0,0,0|3,0,0]=4 246 B10R1.17 CCSCc1ccncc1 62a_100000210202_100015193705 [1,0,0,0,0,0|3,0,0]=4 247 B10R1.17 CCSCc1ccncc1 62a_100015193705_100000210202 [1,0,0,0,0,0|3,0,0]=4 248 B10R1.17 CNCCc1ccccc1 2230a_100000106460_200000210301 [1,0,0,0,0,0|0,0,0]=1 249 B10R1.17 CNCCc1ccccc1 2230a_106832991635_100000765856 [1,0,0,0,0,0|0,0,0]=1 250 B10R1.17 CNCCc1ccccc1 34a_100000106460_200000210301 [1,0,0,0,0,0|0,0,0]=1 251 B10R1.17 CNCCc1ccccc1 34a_100102657272_100000765856 [1,0,0,0,0,0|0,0,0]=1 252 B10R1.17 CNCCc1ccccc1 7a_106832991635_100000765856 [1,0,0,0,0,0|0,0,0]=1 253 B10R1.17 CNCCc1ccccn1 2230a_106832991635_100015183660 [1,0,0,0,0,0|1,0,0]=2 254 B10R1.17 CNCCc1ccccn1 7a_106832991635_100015183660 [1,0,0,0,0,0|1,0,0]=2 255 B10R1.17 CNCCc1cccnc1 2230a_100000736294_200000210301 [1,0,0,0,0,0|1,0,0]=2 256 B10R1.17 CNCCc1cccnc1 2230a_106832991635_200011713674 [1,0,0,0,0,0|1,0,0]=2 257 B10R1.17 CNCCc1cccnc1 7a_106832991635_200011713674 [1,0,0,0,0,0|1,0,0]=2 258 B10R1.17 CNCCc1ccncc1 2230a_106832991635_100000723409 [1,0,0,0,0,0|1,0,0]=2 259 B10R1.17 CNCCc1ccncc1 7a_106832991635_100000723409 [1,0,0,0,0,0|1,0,0]=2 260 B10R1.17 CNCSc1ccccc1 2230a_106832991635_100011218342 [1,0,0,0,0,0|1,0,0]=2 261 B10R1.17 COCCc1ccccc1 34a_100000210268_200000210301 [1,0,0,0,0,0|1,0,0]=2 262 B10R1.17 COCCc1ccccc1 34a_100138415774_100000765856 [1,0,0,0,0,0|1,0,0]=2 263 B10R1.17 COCCc1ccccc1 7a_100000210268_200000210301 [1,0,0,0,0,0|1,0,0]=2 264 B10R1.17 COCCc1ccccn1 34a_100000210271_200000210301 [1,0,0,0,0,0|2,0,0]=3 265 B10R1.17 COCCc1cccnc1 34a_100011217484_200000210301 [1,0,0,0,0,0|2,0,0]=3 266 B10R1.17 COCCc1ccncc1 34a_100011216225_200000210301 [1,0,0,0,0,0|2,0,0]=3 267 B10R1.17 COCCc1cnccn1 34a_100011349526_200000210301 [1,0,0,0,0,0|3,0,0]=4 268 B10R1.17 COCCc1cncnc1 34a_100011709255_200000210301 [1,0,0,0,0,0|3,0,0]=4 269 B10R1.17 COCSc1ccccc1 62a_100000719477_100000766300 [1,0,0,0,0,0|2,0,0]=3 270 B10R1.17 COCSc1ccccc1 62a_100000766300_100000041952 [1,0,0,0,0,0|2,0,0]=3 271 B10R1.17 COCSc1ccccn1 62a_100000766300_100011216584 [1,0,0,0,0,0|3,0,0]=4 272 B10R1.17 COCSc1ccccn1 62a_100011216584_100000766300 [1,0,0,0,0,0|3,0,0]=4 273 B10R1.17 COCSc1cccnc1 62a_100000210063_100000766300 [1,0,0,0,0,0|3,0,0]=4 274 B10R1.17 COCSc1cccnc1 62a_100000766300_100000210063 [1,0,0,0,0,0|3,0,0]=4 275 B10R1.17 COCSc1ccncc1 62a_100000728582_100000766300 [1,0,0,0,0,0|3,0,0]=4 276 B10R1.17 COCSc1ccncc1 62a_100000766300_100000728582 [1,0,0,0,0,0|3,0,0]=4 277 B10R1.17 CSCCc1ccccc1 62a_100000765856_200000210301 [1,0,0,0,0,0|1,0,0]=2 278 B10R1.17 CSCCc1ccccc1 62a_200000210301_100011218657 [1,0,0,0,0,0|1,0,0]=2 279 B10R1.17 CSCCc1ccccn1 62a_100015183660_200000210301 [1,0,0,0,0,0|2,0,0]=3 280 B10R1.17 CSCCc1ccccn1 62a_200000210301_100015183660 [1,0,0,0,0,0|2,0,0]=3 281 B10R1.17 CSCCc1cccnc1 62a_200000210301_200011713674 [1,0,0,0,0,0|2,0,0]=3 282 B10R1.17 CSCCc1cccnc1 62a_200011713674_200000210301 [1,0,0,0,0,0|2,0,0]=3 283 B10R1.17 CSCCc1ccncc1 62a_100000723409_200000210301 [1,0,0,0,0,0|2,0,0]=3 284 B10R1.17 CSCCc1ccncc1 62a_200000210301_100000723409 [1,0,0,0,0,0|2,0,0]=3 285 B10R1.17 CSCNc1ccccc1 34a_100000106764_100011218213 [1,0,0,0,0,0|2,0,0]=3 286 B10R1.17 CSCOc1ccccc1 34a_100000210340_100011218213 [1,0,0,0,0,0|2,0,0]=3 287 B10R1.17 CSCOc1cccnc1 34a_100000210849_100011218213 [1,0,0,0,0,0|3,0,0]=4 288 B10R1.17 CSCOc1ccncc1 34a_100000212176_100011218213 [1,0,0,0,0,0|3,0,0]=4 289 B10R1.17 CSCSc1ccccc1 62a_100000719477_100011218213 [1,0,0,0,0,0|2,0,0]=3 290 B10R1.17 CSCSc1ccccc1 62a_100011218213_100000041952 [1,0,0,0,0,0|2,0,0]=3 291 B10R1.17 CSCSc1ccccc1 62a_100011218342_200000210301 [1,0,0,0,0,0|2,0,0]=3 292 B10R1.17 CSCSc1ccccc1 62a_200000210301_100011218342 [1,0,0,0,0,0|2,0,0]=3 293 B10R1.17 CSCSc1ccccn1 62a_100011216584_100011218213 [1,0,0,0,0,0|3,0,0]=4 294 B10R1.17 CSCSc1ccccn1 62a_100011218213_100011216584 [1,0,0,0,0,0|3,0,0]=4 295 B10R1.17 CSCSc1cccnc1 62a_100000210063_100011218213 [1,0,0,0,0,0|3,0,0]=4 296 B10R1.17 CSCSc1cccnc1 62a_100011218213_100000210063 [1,0,0,0,0,0|3,0,0]=4 297 B10R1.17 CSCSc1ccncc1 62a_100000728582_100011218213 [1,0,0,0,0,0|3,0,0]=4 298 B10R1.17 CSCSc1ccncc1 62a_100011218213_100000728582 [1,0,0,0,0,0|3,0,0]=4 299 B10R1.17 FCCNc1ccccc1 34a_100000106764_100011217306 [1,0,0,0,0,0|3,0,0]=4 300 B10R1.17 FCCOc1ccccc1 34a_100000210340_100011217306 [1,0,0,0,0,0|3,0,0]=4 301 B10R1.17 FCCOc1ccccc1 7a_100000210340_100011217306 [1,0,0,0,0,0|3,0,0]=4 302 B10R1.17 FCCSc1ccccc1 62a_100000719477_100011217306 [1,0,0,0,0,0|3,0,0]=4 303 B10R1.17 FCCSc1ccccc1 62a_100011217306_100000041952 [1,0,0,0,0,0|3,0,0]=4 304 B10R1.17 FCNCc1ccccc1 34a_100015324214_100015361967 [1,0,0,0,0,0|3,0,0]=4 305 B10R1.17 FCOCc1ccccc1 34a_100000210790_100015361967 [1,0,0,0,0,0|3,0,0]=4 306 B10R1.17 FCOCc1ccccc1 7a_100000210790_100015361967 [1,0,0,0,0,0|3,0,0]=4 307 B10R1.17 FCSCc1ccccc1 62a_100000211182_100015361967 [1,0,0,0,0,0|3,0,0]=4 308 B10R1.17 FCSCc1ccccc1 62a_100015361967_100015291786 [1,0,0,0,0,0|3,0,0]=4 309 B10R1.17 N#CCOc1ccccc1 7a_100000210340_100011215382 [1,0,0,0,0,0|3,0,0]=4 310 B10R1.17 N#CCSc1ccccc1 62a_100000719477_100011215382 [1,0,0,0,0,0|3,0,0]=4 311 B10R1.17 N#CCSc1ccccc1 62a_100011215382_100000041952 [1,0,0,0,0,0|3,0,0]=4 312 B10R1.17 O=CCNc1ccccc1 34a_100000106764_200009817547 [1,0,0,0,0,0|3,0,0]=4 313 B10R1.17 O=CCOc1ccccc1 34a_100000210340_200009817547 [1,0,0,0,0,0|3,0,0]=4 314 B10R1.17 O=CCOc1ccccc1 7a_100000210340_200015260668 [1,0,0,0,0,0|3,0,0]=4 315 B10R1.17 O=CCSc1ccccc1 62a_100000719477_200015260668 [1,0,0,0,0,0|3,0,0]=4 316 B10R1.17 O=CCSc1ccccc1 62a_200015260668_100000041952 [1,0,0,0,0,0|3,0,0]=4 317 B10R1.17 OCCNc1ccccc1 34a_100000106764_100000211926 [1,0,0,0,0,0|3,0,0]=4 318 B10R1.17 OCCOc1ccccc1 34a_100000210340_100000211926 [1,0,0,0,0,0|3,0,0]=4 319 B10R1.17 OCCOc1ccccc1 7a_100000210340_100000211926 [1,0,0,0,0,0|3,0,0]=4 320 B10R1.17 OCCSc1ccccc1 62a_100000211926_100000041952 [1,0,0,0,0,0|3,0,0]=4 321 B10R1.17 OCCSc1ccccc1 62a_100000719477_100000211926 [1,0,0,0,0,0|3,0,0]=4 322 B10R1.17 [13CH3]NCCc1ccccc1 2230a_100000106460_200025704644 [1,0,0,0,0,0|0,0,0]=1 323 B10R1.17 [13CH3]NCCc1ccccc1 34a_100000106460_200025704644 [1,0,0,0,0,0|0,0,0]=1 324 B10R1.17 [13CH3]NCCc1cccnc1 2230a_100000736294_200025704644 [1,0,0,0,0,0|1,0,0]=2 325 B10R1.17 [13CH3]OCCc1ccccc1 34a_100000210268_200025704644 [1,0,0,0,0,0|1,0,0]=2 326 B10R1.17 [13CH3]OCCc1ccccc1 7a_100000210268_200025704644 [1,0,0,0,0,0|1,0,0]=2 327 B10R1.17 [13CH3]OCCc1ccccn1 34a_100000210271_200025704644 [1,0,0,0,0,0|2,0,0]=3 328 B10R1.17 [13CH3]OCCc1cccnc1 34a_100011217484_200025704644 [1,0,0,0,0,0|2,0,0]=3 329 B10R1.17 [13CH3]OCCc1ccncc1 34a_100011216225_200025704644 [1,0,0,0,0,0|2,0,0]=3 330 B10R1.17 [13CH3]OCCc1cnccn1 34a_100011349526_200025704644 [1,0,0,0,0,0|3,0,0]=4 331 B10R1.17 [13CH3]OCCc1cncnc1 34a_100011709255_200025704644 [1,0,0,0,0,0|3,0,0]=4 332 B10R1.17 [13CH3]SCCc1ccccc1 62a_100000765856_200025704644 [1,0,0,0,0,0|1,0,0]=2 333 B10R1.17 [13CH3]SCCc1ccccc1 62a_200025704644_100011218657 [1,0,0,0,0,0|1,0,0]=2 334 B10R1.17 [13CH3]SCCc1ccccn1 62a_100015183660_200025704644 [1,0,0,0,0,0|2,0,0]=3 335 B10R1.17 [13CH3]SCCc1ccccn1 62a_200025704644_100015183660 [1,0,0,0,0,0|2,0,0]=3 336 B10R1.17 [13CH3]SCCc1cccnc1 62a_200011713674_200025704644 [1,0,0,0,0,0|2,0,0]=3 337 B10R1.17 [13CH3]SCCc1cccnc1 62a_200025704644_200011713674 [1,0,0,0,0,0|2,0,0]=3 338 B10R1.17 [13CH3]SCCc1ccncc1 62a_100000723409_200025704644 [1,0,0,0,0,0|2,0,0]=3 339 B10R1.17 [13CH3]SCCc1ccncc1 62a_200025704644_100000723409 [1,0,0,0,0,0|2,0,0]=3 340 B10R1.17 [13CH3]SCSc1ccccc1 62a_100011218342_200025704644 [1,0,0,0,0,0|2,0,0]=3 341 B10R1.17 [13CH3]SCSc1ccccc1 62a_200025704644_100011218342 [1,0,0,0,0,0|2,0,0]=3 342 B10R1.18 CC(=Cc1ccccc1)C 271570a_100102525489_100000210277 [1,0,0,0,0,0|0,0,2]=3 343 B10R1.18 CC(=Cc1ccccn1)C 271570a_100102525489_100011216584 [1,0,0,0,0,0|1,0,2]=4 344 B10R1.18 CC(=Cc1cccnc1)C 271570a_100102525489_100000752921 [1,0,0,0,0,0|1,0,2]=4 345 B10R1.18 CC(=Cc1ccncc1)C 271570a_100102525489_100000035832 [1,0,0,0,0,0|1,0,2]=4 346 B10R1.18 CC(=O)C[n+]1ccccc1 1458a_200000086051_200000210301 [1,0,0,0,0,0|2,0,1]=4 347 B10R1.18 CC(=O)Cc1ccccc1 1458a_100000070787_100015291786 [1,0,0,0,0,0|1,0,1]=3 348 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000070787_100000721315 [1,0,0,0,0,0|2,0,1]=4 349 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000233486_200000210301 [1,0,0,0,0,0|2,0,1]=4 350 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000070787_100000733263 [1,0,0,0,0,0|2,0,1]=4 351 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000737805_200000210301 [1,0,0,0,0,0|2,0,1]=4 352 B10R1.18 CC(=O)Cc1ccncc1 1458a_100000070787_100000705612 [1,0,0,0,0,0|2,0,1]=4 353 B10R1.18 CC(=O)Nc1ccccc1 11a_100000106764_100015343762 [1,0,0,0,0,0|2,0,1]=4 354 B10R1.18 CC(=O)Nc1ccccc1 1626a_100000106764_100015343762 [1,0,0,0,0,0|2,0,1]=4 355 B10R1.18 CC(=O)Nc1ccccc1 22a_100000106764_100000070787 [1,0,0,0,0,0|2,0,1]=4 356 B10R1.18 CC(=O)Nc1ccccc1 527a_100000106764_100103153847 [1,0,0,0,0,0|2,0,1]=4 357 B10R1.18 CC(C)Nc1ccccc1 34a_100000106764_100000210206 [1,0,0,0,0,0|1,0,0]=2 358 B10R1.18 CC(C)Nc1cccnn1 27a_100138425928_100016991348 [1,0,0,0,0,0|3,0,0]=4 359 B10R1.18 CC(C)Nc1ccncn1 27a_100138425928_100000703185 [1,0,0,0,0,0|3,0,0]=4 360 B10R1.18 CC(C)Nc1cnccn1 27a_100138425928_100000211759 [1,0,0,0,0,0|3,0,0]=4 361 B10R1.18 CC(C)Nc1ncccn1 27a_100138425928_100000211032 [1,0,0,0,0,0|3,0,0]=4 362 B10R1.18 CC(C)Oc1ccccc1 34a_100000210340_100000210206 [1,0,0,0,0,0|1,0,0]=2 363 B10R1.18 CC(C)Oc1ccccc1 7a_100000210340_100000210206 [1,0,0,0,0,0|1,0,0]=2 364 B10R1.18 CC(C)Oc1cccnc1 34a_100000210849_100000210206 [1,0,0,0,0,0|2,0,0]=3 365 B10R1.18 CC(C)Oc1cccnc1 7a_100000210849_100000210206 [1,0,0,0,0,0|2,0,0]=3 366 B10R1.18 CC(C)Oc1ccncc1 34a_100000212176_100000210206 [1,0,0,0,0,0|2,0,0]=3 367 B10R1.18 CC(C)Oc1ccnnc1 34a_100015204005_100000210206 [1,0,0,0,0,0|3,0,0]=4 368 B10R1.18 CC(C)Oc1cncnc1 7a_100000754086_100000210206 [1,0,0,0,0,0|3,0,0]=4 369 B10R1.18 CC(C)Sc1ccccc1 62a_100000210206_100000041952 [1,0,0,0,0,0|1,0,0]=2 370 B10R1.18 CC(C)Sc1ccccc1 62a_100000719477_100000210206 [1,0,0,0,0,0|1,0,0]=2 371 B10R1.18 CC(C)Sc1ccccn1 62a_100000210206_100011216584 [1,0,0,0,0,0|2,0,0]=3 372 B10R1.18 CC(C)Sc1ccccn1 62a_100011216584_100000210206 [1,0,0,0,0,0|2,0,0]=3 373 B10R1.18 CC(C)Sc1cccnc1 62a_100000210063_100000210206 [1,0,0,0,0,0|2,0,0]=3 374 B10R1.18 CC(C)Sc1cccnc1 62a_100000210206_100000210063 [1,0,0,0,0,0|2,0,0]=3 375 B10R1.18 CC(C)Sc1cccnn1 62a_100000210206_100016991348 [1,0,0,0,0,0|3,0,0]=4 376 B10R1.18 CC(C)Sc1cccnn1 62a_100016991348_100000210206 [1,0,0,0,0,0|3,0,0]=4 377 B10R1.18 CC(C)Sc1ccncc1 62a_100000210206_100000728582 [1,0,0,0,0,0|2,0,0]=3 378 B10R1.18 CC(C)Sc1ccncc1 62a_100000728582_100000210206 [1,0,0,0,0,0|2,0,0]=3 379 B10R1.18 CC(C)Sc1ccncn1 62a_100000210206_100000703185 [1,0,0,0,0,0|3,0,0]=4 380 B10R1.18 CC(C)Sc1ccncn1 62a_100000703185_100000210206 [1,0,0,0,0,0|3,0,0]=4 381 B10R1.18 CC(C)Sc1ccnnc1 62a_100000210206_100000732662 [1,0,0,0,0,0|3,0,0]=4 382 B10R1.18 CC(C)Sc1ccnnc1 62a_100000732662_100000210206 [1,0,0,0,0,0|3,0,0]=4 383 B10R1.18 CC(C)Sc1cnccn1 62a_100000210206_100000211759 [1,0,0,0,0,0|3,0,0]=4 384 B10R1.18 CC(C)Sc1cnccn1 62a_100000211759_100000210206 [1,0,0,0,0,0|3,0,0]=4 385 B10R1.18 CC(C)Sc1cncnc1 62a_100000210206_100011206942 [1,0,0,0,0,0|3,0,0]=4 386 B10R1.18 CC(C)Sc1cncnc1 62a_100011206942_100000210206 [1,0,0,0,0,0|3,0,0]=4 387 B10R1.18 CC(C)Sc1ncccn1 62a_100000210206_100000211032 [1,0,0,0,0,0|3,0,0]=4 388 B10R1.18 CC(C)Sc1ncccn1 62a_100000211032_100000210206 [1,0,0,0,0,0|3,0,0]=4 389 B10R1.18 CN(C)Cc1ccccc1 2230a_100000186898_200000210301 [1,0,0,0,0,0|1,0,0]=2 390 B10R1.18 CN(C)Cc1ccccc1 2230a_100102631434_100015291786 [1,0,0,0,0,0|1,0,0]=2 391 B10R1.18 CN(C)Cc1ccccc1 269982a_100000186898_200000210301 [1,0,0,0,0,0|1,0,0]=2 392 B10R1.18 CN(C)Cc1ccccc1 269982a_100102631434_100000211182 [1,0,0,0,0,0|1,0,0]=2 393 B10R1.18 CN(C)Cc1ccccc1 270004a_100102631434_100015611070 [1,0,0,0,0,0|1,0,0]=2 394 B10R1.18 CN(C)Cc1ccccn1 2230a_100000207498_200000210301 [1,0,0,0,0,0|2,0,0]=3 395 B10R1.18 CN(C)Cc1ccccn1 2230a_100102631434_100000721315 [1,0,0,0,0,0|2,0,0]=3 396 B10R1.18 CN(C)Cc1ccccn1 269982a_100000207498_200000210301 [1,0,0,0,0,0|2,0,0]=3 397 B10R1.18 CN(C)Cc1ccccn1 269982a_100102631434_100000721315 [1,0,0,0,0,0|2,0,0]=3 398 B10R1.18 CN(C)Cc1ccccn1 270004a_100102631434_100000209966 [1,0,0,0,0,0|2,0,0]=3 399 B10R1.18 CN(C)Cc1cccnc1 2230a_100000184577_200000210301 [1,0,0,0,0,0|2,0,0]=3 400 B10R1.18 CN(C)Cc1cccnc1 2230a_100102631434_100000741622 [1,0,0,0,0,0|2,0,0]=3 401 B10R1.18 CN(C)Cc1cccnc1 269982a_100000184577_200000210301 [1,0,0,0,0,0|2,0,0]=3 402 B10R1.18 CN(C)Cc1cccnc1 269982a_100102631434_100000733263 [1,0,0,0,0,0|2,0,0]=3 403 B10R1.18 CN(C)Cc1cccnc1 270004a_100102631434_100000209961 [1,0,0,0,0,0|2,0,0]=3 404 B10R1.18 CN(C)Cc1cccnn1 2230a_100102631434_100016990269 [1,0,0,0,0,0|3,0,0]=4 405 B10R1.18 CN(C)Cc1ccncc1 2230a_100000187231_200000210301 [1,0,0,0,0,0|2,0,0]=3 406 B10R1.18 CN(C)Cc1ccncc1 2230a_100102631434_100015193705 [1,0,0,0,0,0|2,0,0]=3 407 B10R1.18 CN(C)Cc1ccncc1 269982a_100000187231_200000210301 [1,0,0,0,0,0|2,0,0]=3 408 B10R1.18 CN(C)Cc1ccncc1 269982a_100102631434_100015193705 [1,0,0,0,0,0|2,0,0]=3 409 B10R1.18 CN(C)Cc1ccnnc1 270004a_100102631434_100011934578 [1,0,0,0,0,0|3,0,0]=4 410 B10R1.18 CN(C)Cc1cnccn1 2230a_100011269079_200000210301 [1,0,0,0,0,0|3,0,0]=4 411 B10R1.18 CN(C)Cc1cnccn1 2230a_100102631434_100016995436 [1,0,0,0,0,0|3,0,0]=4 412 B10R1.18 CN(C)Cc1cnccn1 269982a_100011269079_200000210301 [1,0,0,0,0,0|3,0,0]=4 413 B10R1.18 CN(C)Cc1cnccn1 269982a_100102631434_100016995436 [1,0,0,0,0,0|3,0,0]=4 414 B10R1.18 CN(C)Cc1cnccn1 270004a_100102631434_100000749867 [1,0,0,0,0,0|3,0,0]=4 415 B10R1.18 CN(C)Cc1cncnc1 2230a_100102631434_100015196519 [1,0,0,0,0,0|3,0,0]=4 416 B10R1.18 CN(C)Cc1cncnc1 269982a_100102631434_100016991940 [1,0,0,0,0,0|3,0,0]=4 417 B10R1.18 CN(C)Cc1cncnc1 270004a_100102631434_100000749868 [1,0,0,0,0,0|3,0,0]=4 418 B10R1.18 CN(C)Cc1ncccn1 2230a_100025716638_200000210301 [1,0,0,0,0,0|3,0,0]=4 419 B10R1.18 CN(C)Cc1ncccn1 2230a_100102631434_100000703007 [1,0,0,0,0,0|3,0,0]=4 420 B10R1.18 CN(C)Cc1ncccn1 269982a_100025716638_200000210301 [1,0,0,0,0,0|3,0,0]=4 421 B10R1.18 CN(C)Cc1ncccn1 269982a_100102631434_100000703007 [1,0,0,0,0,0|3,0,0]=4 422 B10R1.18 CN(C)Cc1ncccn1 270004a_100102631434_100011532527 [1,0,0,0,0,0|3,0,0]=4 423 B10R1.18 CN([13CH3])Cc1ccccc1 2230a_100000186898_200025704644 [1,0,0,0,0,0|1,0,0]=2 424 B10R1.18 CN([13CH3])Cc1ccccc1 269982a_100000186898_200025704644 [1,0,0,0,0,0|1,0,0]=2 425 B10R1.18 CN([13CH3])Cc1ccccn1 2230a_100000207498_200025704644 [1,0,0,0,0,0|2,0,0]=3 426 B10R1.18 CN([13CH3])Cc1ccccn1 269982a_100000207498_200025704644 [1,0,0,0,0,0|2,0,0]=3 427 B10R1.18 CN([13CH3])Cc1cccnc1 2230a_100000184577_200025704644 [1,0,0,0,0,0|2,0,0]=3 428 B10R1.18 CN([13CH3])Cc1cccnc1 269982a_100000184577_200025704644 [1,0,0,0,0,0|2,0,0]=3 429 B10R1.18 CN([13CH3])Cc1ccncc1 2230a_100000187231_200025704644 [1,0,0,0,0,0|2,0,0]=3 430 B10R1.18 CN([13CH3])Cc1ccncc1 269982a_100000187231_200025704644 [1,0,0,0,0,0|2,0,0]=3 431 B10R1.18 CN([13CH3])Cc1cnccn1 2230a_100011269079_200025704644 [1,0,0,0,0,0|3,0,0]=4 432 B10R1.18 CN([13CH3])Cc1cnccn1 269982a_100011269079_200025704644 [1,0,0,0,0,0|3,0,0]=4 433 B10R1.18 CN([13CH3])Cc1ncccn1 2230a_100025716638_200025704644 [1,0,0,0,0,0|3,0,0]=4 434 B10R1.18 CN([13CH3])Cc1ncccn1 269982a_100025716638_200025704644 [1,0,0,0,0,0|3,0,0]=4 435 B10R1.18 [13CH3]C(=O)C[n+]1ccccc1 1458a_200000086051_200025704644 [1,0,0,0,0,0|2,0,1]=4 436 B10R1.18 [13CH3]C(=O)Cc1ccccn1 1458a_100000233486_200025704644 [1,0,0,0,0,0|2,0,1]=4 437 B10R1.18 [13CH3]C(=O)Cc1cccnc1 1458a_100000737805_200025704644 [1,0,0,0,0,0|2,0,1]=4 438 B12R1.32 C#CCN(C)Cc1ccccc1 2230a_100000186898_100000038162 [0,1,0,0,0,0|2,0,1]=4 439 B12R1.32 C#CCN(C)Cc1ccccc1 2230a_100000225692_100015291786 [0,1,0,0,0,0|2,0,1]=4 440 B12R1.32 C#CCN(C)Cc1ccccc1 2230a_100000730907_200000210301 [0,1,0,0,0,0|2,0,1]=4 441 B12R1.32 C#CCN(C)Cc1ccccc1 269982a_100000730907_200000210301 [0,1,0,0,0,0|2,0,1]=4 442 B12R1.32 C#CCN(C)Cc1ccccc1 270004a_100000225692_100015611070 [0,1,0,0,0,0|2,0,1]=4 443 B12R1.32 C#CCN(C)Cc1ccccc1 34a_100000225692_100015291786 [0,1,0,0,0,0|2,0,1]=4 444 B12R1.32 C#CCN(C)Cc1ccccc1 34a_100000730907_200000210301 [0,1,0,0,0,0|2,0,1]=4 445 B12R1.32 C#CCN([13CH3])Cc1ccccc1 2230a_100000730907_200025704644 [0,1,0,0,0,0|2,0,1]=4 446 B12R1.32 C#CCN([13CH3])Cc1ccccc1 269982a_100000730907_200025704644 [0,1,0,0,0,0|2,0,1]=4 447 B12R1.32 C#CCN([13CH3])Cc1ccccc1 34a_100000730907_200025704644 [0,1,0,0,0,0|2,0,1]=4 448 B12R1.32 C/C(=C\c1ccccc1)/CO[13CH3] 34a_200025717232_200025704644 [0,1,0,0,0,0|1,0,2]=4 449 B12R1.32 C/C(=C\c1ccccc1)/CO[13CH3] 7a_200025717232_200025704644 [0,1,0,0,0,0|1,0,2]=4 450 B12R1.32 C=CCN(C)Cc1ccccc1 2230a_100000186898_100000210623 [0,1,0,0,0,0|2,0,1]=4 451 B12R1.32 C=CCN(C)Cc1ccccc1 2230a_100000196212_200000210301 [0,1,0,0,0,0|2,0,1]=4 452 B12R1.32 C=CCN(C)Cc1ccccc1 2230a_100000225617_100015291786 [0,1,0,0,0,0|2,0,1]=4 453 B12R1.32 C=CCN(C)Cc1ccccc1 269982a_100000186898_100000210623 [0,1,0,0,0,0|2,0,1]=4 454 B12R1.32 C=CCN(C)Cc1ccccc1 269982a_100000196212_200000210301 [0,1,0,0,0,0|2,0,1]=4 455 B12R1.32 C=CCN(C)Cc1ccccc1 269982a_100000225617_100000211182 [0,1,0,0,0,0|2,0,1]=4 456 B12R1.32 C=CCN(C)Cc1ccccc1 270004a_100000225617_100015611070 [0,1,0,0,0,0|2,0,1]=4 457 B12R1.32 C=CCN([13CH3])Cc1ccccc1 2230a_100000196212_200025704644 [0,1,0,0,0,0|2,0,1]=4 458 B12R1.32 C=CCN([13CH3])Cc1ccccc1 269982a_100000196212_200025704644 [0,1,0,0,0,0|2,0,1]=4 459 B12R1.32 CC#CC(=O)Cc1ccccc1 1458a_100000763181_100015291786 [0,1,0,0,0,0|2,0,1]=4 460 B12R1.32 CC(CC#N)Oc1ccccc1 7a_100000210340_100009813641 [0,1,0,0,0,0|2,0,1]=4 461 B12R1.32 CC(CC#N)Sc1ccccc1 62a_100000719477_100009813641 [0,1,0,0,0,0|2,0,1]=4 462 B12R1.32 CC(CC#N)Sc1ccccc1 62a_100009813641_100000041952 [0,1,0,0,0,0|2,0,1]=4 463 B12R1.32 CC(CCO)Nc1ccccc1 34a_100000106764_100009893172 [0,1,0,0,0,0|2,0,0]=3 464 B12R1.32 CC(CCO)Oc1ccccc1 34a_100000210340_100009893172 [0,1,0,0,0,0|2,0,0]=3 465 B12R1.32 CC(CCO)Oc1ccccc1 7a_100000210340_100009893172 [0,1,0,0,0,0|2,0,0]=3 466 B12R1.32 CC(CCO)Oc1cccnc1 34a_100000210849_100009893172 [0,1,0,0,0,0|3,0,0]=4 467 B12R1.32 CC(CCO)Oc1cccnc1 7a_100000210849_100009893172 [0,1,0,0,0,0|3,0,0]=4 468 B12R1.32 CC(CCO)Oc1ccncc1 34a_100000212176_100009893172 [0,1,0,0,0,0|3,0,0]=4 469 B12R1.32 CC(CCO)Sc1ccccc1 62a_100000719477_100009893172 [0,1,0,0,0,0|2,0,0]=3 470 B12R1.32 CC(CCO)Sc1ccccc1 62a_100009893172_100000041952 [0,1,0,0,0,0|2,0,0]=3 471 B12R1.32 CC(CCO)Sc1ccccn1 62a_100009893172_100011216584 [0,1,0,0,0,0|3,0,0]=4 472 B12R1.32 CC(CCO)Sc1ccccn1 62a_100011216584_100009893172 [0,1,0,0,0,0|3,0,0]=4 473 B12R1.32 CC(CCO)Sc1cccnc1 62a_100000210063_100009893172 [0,1,0,0,0,0|3,0,0]=4 474 B12R1.32 CC(CCO)Sc1cccnc1 62a_100009893172_100000210063 [0,1,0,0,0,0|3,0,0]=4 475 B12R1.32 CC(CCO)Sc1ccncc1 62a_100000728582_100009893172 [0,1,0,0,0,0|3,0,0]=4 476 B12R1.32 CC(CCO)Sc1ccncc1 62a_100009893172_100000728582 [0,1,0,0,0,0|3,0,0]=4 477 B12R1.32 CC(CN[13CH3])Oc1ccccc1 2230a_100000755676_200025704644 [0,1,0,0,0,0|1,0,0]=2 478 B12R1.32 CC(CN[13CH3])Oc1ccccc1 34a_100000755676_200025704644 [0,1,0,0,0,0|1,0,0]=2 479 B12R1.32 CC(CN[13CH3])Oc1cccnc1 2230a_200011219418_200025704644 [0,1,0,0,0,0|2,0,0]=3 480 B12R1.32 CC(CO[13CH3])Cc1ccccc1 34a_100012125295_200025704644 [0,1,0,0,0,0|1,0,0]=2 481 B12R1.32 CC(CO[13CH3])Cc1ccccc1 7a_100012125295_200025704644 [0,1,0,0,0,0|1,0,0]=2 482 B12R1.32 CC(CO[13CH3])Oc1ccccc1 34a_200000036796_200025704644 [0,1,0,0,0,0|2,0,0]=3 483 B12R1.32 CC(CO[13CH3])Oc1ccccc1 7a_200000036796_200025704644 [0,1,0,0,0,0|2,0,0]=3 484 B12R1.32 CC(Cc1ccccc1)OCF 34a_100000748627_100015361967 [0,1,0,0,0,0|1,0,0]=2 485 B12R1.32 CC(Cc1ccccc1)OCF 7a_100000748627_100015361967 [0,1,0,0,0,0|1,0,0]=2 486 B12R1.32 CC(Cc1ccccc1)SCF 62a_100015361967_200011218536 [0,1,0,0,0,0|1,0,0]=2 487 B12R1.32 CC(Cc1ccccc1)SCF 62a_200011218536_100015361967 [0,1,0,0,0,0|1,0,0]=2 488 B12R1.32 CC=CC(=O)Cc1ccccc1 1458a_100000210699_100015291786 [0,1,0,0,0,0|2,0,1]=4 489 B12R1.32 CCCC(=O)Cc1ccccc1 1458a_100000211992_100015291786 [0,1,0,0,0,0|2,0,1]=4 490 B12R1.32 CCCC(C)Nc1ccccc1 34a_100000106764_100000766640 [0,1,0,0,0,0|2,0,0]=3 491 B12R1.32 CCCC(C)Oc1ccccc1 34a_100000210340_100000766640 [0,1,0,0,0,0|2,0,0]=3 492 B12R1.32 CCCC(C)Oc1ccccc1 7a_100000210340_100000766640 [0,1,0,0,0,0|2,0,0]=3 493 B12R1.32 CCCC(C)Oc1cccnc1 34a_100000210849_100000766640 [0,1,0,0,0,0|3,0,0]=4 494 B12R1.32 CCCC(C)Oc1cccnc1 7a_100000210849_100000766640 [0,1,0,0,0,0|3,0,0]=4 495 B12R1.32 CCCC(C)Oc1ccncc1 34a_100000212176_100000766640 [0,1,0,0,0,0|3,0,0]=4 496 B12R1.32 CCCC(C)Sc1ccccc1 62a_100000719477_100000766640 [0,1,0,0,0,0|2,0,0]=3 497 B12R1.32 CCCC(C)Sc1ccccc1 62a_100000766640_100000041952 [0,1,0,0,0,0|2,0,0]=3 498 B12R1.32 CCCC(C)Sc1ccccn1 62a_100000766640_100011216584 [0,1,0,0,0,0|3,0,0]=4 499 B12R1.32 CCCC(C)Sc1ccccn1 62a_100011216584_100000766640 [0,1,0,0,0,0|3,0,0]=4 500 B12R1.32 CCCC(C)Sc1cccnc1 62a_100000210063_100000766640 [0,1,0,0,0,0|3,0,0]=4 501 B12R1.32 CCCC(C)Sc1cccnc1 62a_100000766640_100000210063 [0,1,0,0,0,0|3,0,0]=4 502 B12R1.32 CCCC(C)Sc1ccncc1 62a_100000728582_100000766640 [0,1,0,0,0,0|3,0,0]=4 503 B12R1.32 CCCC(C)Sc1ccncc1 62a_100000766640_100000728582 [0,1,0,0,0,0|3,0,0]=4 504 B12R1.32 CCCN(C)Cc1ccccc1 2230a_100000184400_200000210301 [0,1,0,0,0,0|2,0,0]=3 505 B12R1.32 CCCN(C)Cc1ccccc1 2230a_100000186898_100000210303 [0,1,0,0,0,0|2,0,0]=3 506 B12R1.32 CCCN(C)Cc1ccccc1 2230a_100000747261_100015291786 [0,1,0,0,0,0|2,0,0]=3 507 B12R1.32 CCCN(C)Cc1ccccc1 269982a_100000184400_200000210301 [0,1,0,0,0,0|2,0,0]=3 508 B12R1.32 CCCN(C)Cc1ccccc1 269982a_100000186898_100000210303 [0,1,0,0,0,0|2,0,0]=3 509 B12R1.32 CCCN(C)Cc1ccccc1 269982a_100000747261_100000211182 [0,1,0,0,0,0|2,0,0]=3 510 B12R1.32 CCCN(C)Cc1ccccc1 270004a_100000747261_100015611070 [0,1,0,0,0,0|2,0,0]=3 511 B12R1.32 CCCN(C)Cc1ccccn1 2230a_100000207498_100000210303 [0,1,0,0,0,0|3,0,0]=4 512 B12R1.32 CCCN(C)Cc1ccccn1 2230a_100000747261_100000721315 [0,1,0,0,0,0|3,0,0]=4 513 B12R1.32 CCCN(C)Cc1ccccn1 2230a_100160999930_200000210301 [0,1,0,0,0,0|3,0,0]=4 514 B12R1.32 CCCN(C)Cc1ccccn1 269982a_100000207498_100000210303 [0,1,0,0,0,0|3,0,0]=4 515 B12R1.32 CCCN(C)Cc1ccccn1 269982a_100000747261_100000721315 [0,1,0,0,0,0|3,0,0]=4 516 B12R1.32 CCCN(C)Cc1ccccn1 269982a_100160999930_200000210301 [0,1,0,0,0,0|3,0,0]=4 517 B12R1.32 CCCN(C)Cc1ccccn1 270004a_100000747261_100000209966 [0,1,0,0,0,0|3,0,0]=4 518 B12R1.32 CCCN(C)Cc1cccnc1 2230a_100000184577_100000210303 [0,1,0,0,0,0|3,0,0]=4 519 B12R1.32 CCCN(C)Cc1cccnc1 2230a_100000747261_100000741622 [0,1,0,0,0,0|3,0,0]=4 520 B12R1.32 CCCN(C)Cc1cccnc1 2230a_100160553015_200000210301 [0,1,0,0,0,0|3,0,0]=4 521 B12R1.32 CCCN(C)Cc1cccnc1 269982a_100000184577_100000210303 [0,1,0,0,0,0|3,0,0]=4 522 B12R1.32 CCCN(C)Cc1cccnc1 269982a_100000747261_100000733263 [0,1,0,0,0,0|3,0,0]=4 523 B12R1.32 CCCN(C)Cc1cccnc1 269982a_100160553015_200000210301 [0,1,0,0,0,0|3,0,0]=4 524 B12R1.32 CCCN(C)Cc1cccnc1 270004a_100000747261_100000209961 [0,1,0,0,0,0|3,0,0]=4 525 B12R1.32 CCCN(C)Cc1ccncc1 2230a_100000187231_100000210303 [0,1,0,0,0,0|3,0,0]=4 526 B12R1.32 CCCN(C)Cc1ccncc1 2230a_100000747261_100015193705 [0,1,0,0,0,0|3,0,0]=4 527 B12R1.32 CCCN(C)Cc1ccncc1 269982a_100000187231_100000210303 [0,1,0,0,0,0|3,0,0]=4 528 B12R1.32 CCCN(C)Cc1ccncc1 269982a_100000747261_100015193705 [0,1,0,0,0,0|3,0,0]=4 529 B12R1.32 CCCN(C)Cc1ccncc1 269982a_100160551226_200000210301 [0,1,0,0,0,0|3,0,0]=4 530 B12R1.32 CCCN([13CH3])Cc1ccccc1 2230a_100000184400_200025704644 [0,1,0,0,0,0|2,0,0]=3 531 B12R1.32 CCCN([13CH3])Cc1ccccc1 269982a_100000184400_200025704644 [0,1,0,0,0,0|2,0,0]=3 532 B12R1.32 CCCN([13CH3])Cc1ccccn1 2230a_100160999930_200025704644 [0,1,0,0,0,0|3,0,0]=4 533 B12R1.32 CCCN([13CH3])Cc1ccccn1 269982a_100160999930_200025704644 [0,1,0,0,0,0|3,0,0]=4 534 B12R1.32 CCCN([13CH3])Cc1cccnc1 2230a_100160553015_200025704644 [0,1,0,0,0,0|3,0,0]=4 535 B12R1.32 CCCN([13CH3])Cc1cccnc1 269982a_100160553015_200025704644 [0,1,0,0,0,0|3,0,0]=4 536 B12R1.32 CCCN([13CH3])Cc1ccncc1 269982a_100160551226_200025704644 [0,1,0,0,0,0|3,0,0]=4 537 B12R1.32 CCNC(=O)C[n+]1ccccc1 11a_100015525214_200000086051 [0,1,0,0,0,0|2,0,1]=4 538 B12R1.32 CCNC(=O)C[n+]1ccccc1 240690a_100015525214_200000086051 [0,1,0,0,0,0|2,0,1]=4 539 B12R1.32 CCNC(=O)C[n+]1ccccc1 527a_100015525214_200000086051 [0,1,0,0,0,0|2,0,1]=4 540 B12R1.32 CCNC(=O)Cc1ccccn1 11a_100015525214_100000233486 [0,1,0,0,0,0|2,0,1]=4 541 B12R1.32 CCNC(=O)Cc1cccnc1 11a_100015525214_100000737805 [0,1,0,0,0,0|2,0,1]=4 542 B12R1.32 CCNC(=O)Cc1cccnc1 240690a_100015525214_100000737805 [0,1,0,0,0,0|2,0,1]=4 543 B12R1.32 CCNC(=O)Cc1cccnc1 527a_100015525214_100000737805 [0,1,0,0,0,0|2,0,1]=4 544 B12R1.32 CCNC(=O)Cc1ccncc1 11a_100015525214_100011201483 [0,1,0,0,0,0|2,0,1]=4 545 B12R1.32 CCNC(=O)Cc1ccncc1 240690a_100015525214_100011201483 [0,1,0,0,0,0|2,0,1]=4 546 B12R1.32 CCNC(=O)Nc1ccccc1 2430a_100000106764_100015525214 [0,1,0,0,0,0|2,0,1]=4 547 B12R1.32 CCNC(C)C[n+]1ccccc1 270004a_100015525214_100000034229 [0,1,0,0,0,0|1,0,0]=2 548 B12R1.32 CCNC(C)Cc1ccccn1 2230a_100000238496_100000210202 [0,1,0,0,0,0|1,0,0]=2 549 B12R1.32 CCNC(C)Cc1cccnc1 2230a_100011207255_100000210202 [0,1,0,0,0,0|1,0,0]=2 550 B12R1.32 CCNC(C)Cc1cccnc1 270004a_100015525214_100015187140 [0,1,0,0,0,0|1,0,0]=2 551 B12R1.32 CCNC(C)Cc1ccncc1 270004a_100015525214_100000238508 [0,1,0,0,0,0|1,0,0]=2 552 B12R1.32 CCNC(C)Cc1cnccn1 2230a_100011277835_100000210202 [0,1,0,0,0,0|2,0,0]=3 553 B12R1.32 CCNC(C)Cc1cnccn1 270004a_100015525214_100015184882 [0,1,0,0,0,0|2,0,0]=3 554 B12R1.32 CCOC(C)Cc1ccccc1 34a_100000748627_100000210202 [0,1,0,0,0,0|1,0,0]=2 555 B12R1.32 CCOC(C)Cc1ccccc1 34a_100121572206_200011218536 [0,1,0,0,0,0|1,0,0]=2 556 B12R1.32 CCOC(C)Cc1ccccc1 7a_100000748627_100000210202 [0,1,0,0,0,0|1,0,0]=2 557 B12R1.32 CCSC(C)Cc1ccccc1 62a_100000210202_200011218536 [0,1,0,0,0,0|1,0,0]=2 558 B12R1.32 CCSC(C)Cc1ccccc1 62a_200011218536_100000210202 [0,1,0,0,0,0|1,0,0]=2 559 B12R1.32 CN(CC#N)Cc1ccccc1 2230a_100000186898_100011215382 [0,1,0,0,0,0|2,0,1]=4 560 B12R1.32 CN(CC#N)Cc1ccccc1 2230a_100000743013_200000210301 [0,1,0,0,0,0|2,0,1]=4 561 B12R1.32 CN(CC#N)Cc1ccccc1 2230a_100000748184_100015291786 [0,1,0,0,0,0|2,0,1]=4 562 B12R1.32 CN(CC#N)Cc1ccccc1 269982a_100000186898_100011214920 [0,1,0,0,0,0|2,0,1]=4 563 B12R1.32 CN(CC=O)Cc1ccccc1 2230a_100000186898_200015260668 [0,1,0,0,0,0|2,0,1]=4 564 B12R1.32 CN(CC=O)Cc1ccccc1 269982a_100000186898_200015260668 [0,1,0,0,0,0|2,0,1]=4 565 B12R1.32 CN(CCF)Cc1ccccc1 2230a_100000186898_100011217306 [0,1,0,0,0,0|2,0,0]=3 566 B12R1.32 CN(CCF)Cc1ccccc1 269982a_100000186898_100011217306 [0,1,0,0,0,0|2,0,0]=3 567 B12R1.32 CN(CCF)Cc1ccccn1 2230a_100000207498_100011217306 [0,1,0,0,0,0|3,0,0]=4 568 B12R1.32 CN(CCF)Cc1ccccn1 269982a_100000207498_100011217306 [0,1,0,0,0,0|3,0,0]=4 569 B12R1.32 CN(CCF)Cc1cccnc1 2230a_100000184577_100011217306 [0,1,0,0,0,0|3,0,0]=4 570 B12R1.32 CN(CCF)Cc1cccnc1 269982a_100000184577_100011217306 [0,1,0,0,0,0|3,0,0]=4 571 B12R1.32 CN(CCF)Cc1ccncc1 2230a_100000187231_100011217306 [0,1,0,0,0,0|3,0,0]=4 572 B12R1.32 CN(CCF)Cc1ccncc1 269982a_100000187231_100011217306 [0,1,0,0,0,0|3,0,0]=4 573 B12R1.32 CN(CCO)Cc1ccccc1 2230a_100000180844_200000210301 [0,1,0,0,0,0|2,0,0]=3 574 B12R1.32 CN(CCO)Cc1ccccc1 2230a_100000186898_100000211926 [0,1,0,0,0,0|2,0,0]=3 575 B12R1.32 CN(CCO)Cc1ccccc1 2230a_100000210263_100015291786 [0,1,0,0,0,0|2,0,0]=3 576 B12R1.32 CN(CCO)Cc1ccccc1 269982a_100000180844_200000210301 [0,1,0,0,0,0|2,0,0]=3 577 B12R1.32 CN(CCO)Cc1ccccc1 269982a_100000186898_100000211926 [0,1,0,0,0,0|2,0,0]=3 578 B12R1.32 CN(CCO)Cc1ccccc1 269982a_100000210263_100000211182 [0,1,0,0,0,0|2,0,0]=3 579 B12R1.32 CN(CCO)Cc1ccccc1 270004a_100000210263_100015611070 [0,1,0,0,0,0|2,0,0]=3 580 B12R1.32 CN(CCO)Cc1ccccn1 2230a_100000207498_100000211926 [0,1,0,0,0,0|3,0,0]=4 581 B12R1.32 CN(CCO)Cc1ccccn1 2230a_100000210263_100000721315 [0,1,0,0,0,0|3,0,0]=4 582 B12R1.32 CN(CCO)Cc1ccccn1 269982a_100000207498_100000211926 [0,1,0,0,0,0|3,0,0]=4 583 B12R1.32 CN(CCO)Cc1ccccn1 269982a_100000210263_100000721315 [0,1,0,0,0,0|3,0,0]=4 584 B12R1.32 CN(CCO)Cc1ccccn1 270004a_100000210263_100000209966 [0,1,0,0,0,0|3,0,0]=4 585 B12R1.32 CN(CCO)Cc1cccnc1 2230a_100000184577_100000211926 [0,1,0,0,0,0|3,0,0]=4 586 B12R1.32 CN(CCO)Cc1cccnc1 2230a_100000210263_100000741622 [0,1,0,0,0,0|3,0,0]=4 587 B12R1.32 CN(CCO)Cc1cccnc1 2230a_200000200437_200000210301 [0,1,0,0,0,0|3,0,0]=4 588 B12R1.32 CN(CCO)Cc1cccnc1 269982a_100000184577_100000211926 [0,1,0,0,0,0|3,0,0]=4 589 B12R1.32 CN(CCO)Cc1cccnc1 269982a_100000210263_100000733263 [0,1,0,0,0,0|3,0,0]=4 590 B12R1.32 CN(CCO)Cc1cccnc1 269982a_200000200437_200000210301 [0,1,0,0,0,0|3,0,0]=4 591 B12R1.32 CN(CCO)Cc1cccnc1 270004a_100000210263_100000209961 [0,1,0,0,0,0|3,0,0]=4 592 B12R1.32 CN(CCO)Cc1ccncc1 2230a_100000187231_100000211926 [0,1,0,0,0,0|3,0,0]=4 593 B12R1.32 CN(CCO)Cc1ccncc1 2230a_100000210263_100015193705 [0,1,0,0,0,0|3,0,0]=4 594 B12R1.32 CN(CCO)Cc1ccncc1 269982a_100000187231_100000211926 [0,1,0,0,0,0|3,0,0]=4 595 B12R1.32 CN(CCO)Cc1ccncc1 269982a_100000210263_100015193705 [0,1,0,0,0,0|3,0,0]=4 596 B12R1.32 CNCC(=O)Cc1ccccc1 2230a_106832991635_100000233483 [0,1,0,0,0,0|1,0,1]=3 597 B12R1.32 CNCC(=O)Cc1ccccc1 7a_106832991635_100000233483 [0,1,0,0,0,0|1,0,1]=3 598 B12R1.32 CNCC(=O)Nc1ccccc1 2230a_106832991635_100000182850 [0,1,0,0,0,0|2,0,1]=4 599 B12R1.32 CNCC(=O)Nc1ccccc1 34a_100102657272_100000182850 [0,1,0,0,0,0|2,0,1]=4 600 B12R1.32 CNCC(=O)Nc1ccccc1 7a_106832991635_100000182850 [0,1,0,0,0,0|2,0,1]=4 601 B12R1.32 CNCC(=O)Oc1ccccc1 2230a_106832991635_100009813826 [0,1,0,0,0,0|2,0,1]=4 602 B12R1.32 CNCC(=O)Oc1ccccc1 34a_100102657272_100009813826 [0,1,0,0,0,0|2,0,1]=4 603 B12R1.32 CNCC(=O)Oc1ccccc1 7a_106832991635_100009813826 [0,1,0,0,0,0|2,0,1]=4 604 B12R1.32 CNCC(C)Oc1ccccc1 2230a_100000755676_200000210301 [0,1,0,0,0,0|1,0,0]=2 605 B12R1.32 CNCC(C)Oc1ccccc1 34a_100000755676_200000210301 [0,1,0,0,0,0|1,0,0]=2 606 B12R1.32 CNCC(C)Oc1cccnc1 2230a_200011219418_200000210301 [0,1,0,0,0,0|2,0,0]=3 607 B12R1.32 CNCC(O)Cc1ccccc1 2230a_100000752270_200000210301 [0,1,0,0,0,0|1,0,0]=2 608 B12R1.32 CNC[C@@H](O)Cc1ccccc1 2230a_106832991635_100000729385 [0,1,0,0,0,0|1,0,0]=2 609 B12R1.32 CNC[C@@H](O)Cc1ccccc1 34a_100102657272_100000729385 [0,1,0,0,0,0|1,0,0]=2 610 B12R1.32 CNC[C@@H](O)Cc1ccccc1 7a_106832991635_100000729385 [0,1,0,0,0,0|1,0,0]=2 611 B12R1.32 CNNC(=O)C[n+]1ccccc1 22a_100016993582_200000086051 [0,1,0,0,0,0|2,0,1]=4 612 B12R1.32 CNNC(=O)Cc1ccccn1 22a_100016993582_100000233486 [0,1,0,0,0,0|2,0,1]=4 613 B12R1.32 CNNC(=O)Cc1cccnc1 22a_100016993582_100000737805 [0,1,0,0,0,0|2,0,1]=4 614 B12R1.32 CNNC(=O)Cc1ccncc1 22a_100016993582_100011201483 [0,1,0,0,0,0|2,0,1]=4 615 B12R1.32 COC/C(=C/c1ccccc1)/C 34a_200025717232_200000210301 [0,1,0,0,0,0|1,0,2]=4 616 B12R1.32 COC/C(=C/c1ccccc1)/C 7a_200025717232_200000210301 [0,1,0,0,0,0|1,0,2]=4 617 B12R1.32 COCC(=O)Cc1ccccc1 1458a_100000210968_100015291786 [0,1,0,0,0,0|2,0,1]=4 618 B12R1.32 COCC(C)Cc1ccccc1 34a_100012125295_200000210301 [0,1,0,0,0,0|1,0,0]=2 619 B12R1.32 COCC(C)Cc1ccccc1 7a_100012125295_200000210301 [0,1,0,0,0,0|1,0,0]=2 620 B12R1.32 COCC(C)Nc1ccccc1 34a_100000106764_100000765312 [0,1,0,0,0,0|2,0,0]=3 621 B12R1.32 COCC(C)Oc1ccccc1 34a_100000210340_100000765312 [0,1,0,0,0,0|2,0,0]=3 622 B12R1.32 COCC(C)Oc1ccccc1 34a_200000036796_200000210301 [0,1,0,0,0,0|2,0,0]=3 623 B12R1.32 COCC(C)Oc1ccccc1 7a_100000210340_100000765312 [0,1,0,0,0,0|2,0,0]=3 624 B12R1.32 COCC(C)Oc1ccccc1 7a_200000036796_200000210301 [0,1,0,0,0,0|2,0,0]=3 625 B12R1.32 COCC(C)Oc1cccnc1 34a_100000210849_100000765312 [0,1,0,0,0,0|3,0,0]=4 626 B12R1.32 COCC(C)Oc1cccnc1 7a_100000210849_100000765312 [0,1,0,0,0,0|3,0,0]=4 627 B12R1.32 COCC(C)Oc1ccncc1 34a_100000212176_100000765312 [0,1,0,0,0,0|3,0,0]=4 628 B12R1.32 COCC(C)Sc1ccccc1 62a_100000719477_100000765312 [0,1,0,0,0,0|2,0,0]=3 629 B12R1.32 COCC(C)Sc1ccccc1 62a_100000765312_100000041952 [0,1,0,0,0,0|2,0,0]=3 630 B12R1.32 COCC(C)Sc1ccccn1 62a_100000765312_100011216584 [0,1,0,0,0,0|3,0,0]=4 631 B12R1.32 COCC(C)Sc1ccccn1 62a_100011216584_100000765312 [0,1,0,0,0,0|3,0,0]=4 632 B12R1.32 COCC(C)Sc1cccnc1 62a_100000210063_100000765312 [0,1,0,0,0,0|3,0,0]=4 633 B12R1.32 COCC(C)Sc1cccnc1 62a_100000765312_100000210063 [0,1,0,0,0,0|3,0,0]=4 634 B12R1.32 COCC(C)Sc1ccncc1 62a_100000728582_100000765312 [0,1,0,0,0,0|3,0,0]=4 635 B12R1.32 COCC(C)Sc1ccncc1 62a_100000765312_100000728582 [0,1,0,0,0,0|3,0,0]=4 636 B12R1.32 COCC(N)Cc1ccccc1 34a_100000739027_200000210301 [0,1,0,0,0,0|2,0,0]=3 637 B12R1.32 COCN(C)Cc1ccccc1 2230a_100000186898_100000766300 [0,1,0,0,0,0|2,0,0]=3 638 B12R1.32 COCN(C)Cc1ccccc1 269982a_100000186898_100000766300 [0,1,0,0,0,0|2,0,0]=3 639 B12R1.32 COCN(C)Cc1ccccn1 2230a_100000207498_100000766300 [0,1,0,0,0,0|3,0,0]=4 640 B12R1.32 COCN(C)Cc1ccccn1 269982a_100000207498_100000766300 [0,1,0,0,0,0|3,0,0]=4 641 B12R1.32 COCN(C)Cc1cccnc1 2230a_100000184577_100000766300 [0,1,0,0,0,0|3,0,0]=4 642 B12R1.32 COCN(C)Cc1cccnc1 269982a_100000184577_100000766300 [0,1,0,0,0,0|3,0,0]=4 643 B12R1.32 COCN(C)Cc1ccncc1 2230a_100000187231_100000766300 [0,1,0,0,0,0|3,0,0]=4 644 B12R1.32 COCN(C)Cc1ccncc1 269982a_100000187231_100000766300 [0,1,0,0,0,0|3,0,0]=4 645 B12R1.32 COC[C@@H](O)Cc1ccccc1 34a_100138415774_100000729385 [0,1,0,0,0,0|2,0,0]=3 646 B12R1.32 CSCC(=O)Cc1ccccc1 1458a_100000184570_100015291786 [0,1,0,0,0,0|2,0,1]=4 647 B12R1.32 CSCC(=O)Cc1ccccc1 62a_100000233483_200000210301 [0,1,0,0,0,0|2,0,1]=4 648 B12R1.32 CSCC(=O)Cc1ccccc1 62a_200000210301_100000233483 [0,1,0,0,0,0|2,0,1]=4 649 B12R1.32 CSCN(C)Cc1ccccc1 2230a_100000186898_100011218213 [0,1,0,0,0,0|2,0,0]=3 650 B12R1.32 CSCN(C)Cc1ccccc1 269982a_100000186898_100011218213 [0,1,0,0,0,0|2,0,0]=3 651 B12R1.32 CSCN(C)Cc1ccccn1 2230a_100000207498_100011218213 [0,1,0,0,0,0|3,0,0]=4 652 B12R1.32 CSCN(C)Cc1ccccn1 269982a_100000207498_100011218213 [0,1,0,0,0,0|3,0,0]=4 653 B12R1.32 CSCN(C)Cc1cccnc1 2230a_100000184577_100011218213 [0,1,0,0,0,0|3,0,0]=4 654 B12R1.32 CSCN(C)Cc1cccnc1 269982a_100000184577_100011218213 [0,1,0,0,0,0|3,0,0]=4 655 B12R1.32 CSCN(C)Cc1ccncc1 2230a_100000187231_100011218213 [0,1,0,0,0,0|3,0,0]=4 656 B12R1.32 CSCN(C)Cc1ccncc1 269982a_100000187231_100011218213 [0,1,0,0,0,0|3,0,0]=4 657 B12R1.32 CSC[C@@H](O)Cc1ccccc1 62a_100000729385_200000210301 [0,1,0,0,0,0|2,0,0]=3 658 B12R1.32 CSC[C@@H](O)Cc1ccccc1 62a_200000210301_100000729385 [0,1,0,0,0,0|2,0,0]=3 659 B12R1.32 O=C(CCO)Cc1ccccc1 1458a_100011216618_100015291786 [0,1,0,0,0,0|2,0,1]=4 660 B12R1.32 [13CH3]N(CC#N)Cc1ccccc1 2230a_100000743013_200025704644 [0,1,0,0,0,0|2,0,1]=4 661 B12R1.32 [13CH3]N(CCO)Cc1ccccc1 2230a_100000180844_200025704644 [0,1,0,0,0,0|2,0,0]=3 662 B12R1.32 [13CH3]N(CCO)Cc1ccccc1 269982a_100000180844_200025704644 [0,1,0,0,0,0|2,0,0]=3 663 B12R1.32 [13CH3]N(CCO)Cc1cccnc1 2230a_200000200437_200025704644 [0,1,0,0,0,0|3,0,0]=4 664 B12R1.32 [13CH3]N(CCO)Cc1cccnc1 269982a_200000200437_200025704644 [0,1,0,0,0,0|3,0,0]=4 665 B12R1.32 [13CH3]NCC(O)Cc1ccccc1 2230a_100000752270_200025704644 [0,1,0,0,0,0|1,0,0]=2 666 B12R1.32 [13CH3]OCC(N)Cc1ccccc1 34a_100000739027_200025704644 [0,1,0,0,0,0|2,0,0]=3 667 B12R1.32 [13CH3]SCC(=O)Cc1ccccc1 62a_100000233483_200025704644 [0,1,0,0,0,0|2,0,1]=4 668 B12R1.32 [13CH3]SCC(=O)Cc1ccccc1 62a_200025704644_100000233483 [0,1,0,0,0,0|2,0,1]=4 669 B12R1.32 [13CH3]SC[C@@H](O)Cc1ccccc1 62a_100000729385_200025704644 [0,1,0,0,0,0|2,0,0]=3 670 B12R1.32 [13CH3]SC[C@@H](O)Cc1ccccc1 62a_200025704644_100000729385 [0,1,0,0,0,0|2,0,0]=3 671 B12R1.34 C#CC(C)C(=O)c1ccccc1 1458a_100000185807_200000035995 [0,1,0,0,0,0|1,0,2]=4 672 B12R1.34 C#CC(C)N(C)c1ccccc1 34a_100000210012_200000035995 [0,1,0,0,0,0|2,0,1]=4 673 B12R1.34 C=C(C(=O)NC)c1ccccc1 1626a_100102657272_100000065200 [0,1,0,0,0,0|1,0,2]=4 674 B12R1.34 C=CC(C)N(C)c1ccccc1 269982a_100000210012_100011215867 [0,1,0,0,0,0|2,0,1]=4 675 B12R1.34 CC(C#N)C(=O)c1ccccc1 1458a_100000185807_100000703298 [0,1,0,0,0,0|2,0,1]=4 676 B12R1.34 CC(C#N)N(C)c1ccccc1 2230a_100000210012_100000184139 [0,1,0,0,0,0|3,0,0]=4 677 B12R1.34 CC(C#N)N(C)c1ccccc1 269982a_100000210012_100000703298 [0,1,0,0,0,0|3,0,0]=4 678 B12R1.34 CC(C#N)N(C)c1ccccc1 34a_100000762819_200000210301 [0,1,0,0,0,0|3,0,0]=4 679 B12R1.34 CC(C#N)N([13CH3])c1ccccc1 34a_100000762819_200025704644 [0,1,0,0,0,0|3,0,0]=4 680 B12R1.34 CC(CO)N(C)c1ccccc1 2230a_100000210012_100012180447 [0,1,0,0,0,0|3,0,0]=4 681 B12R1.34 CC(CO)N(C)c1ccccc1 34a_100000210012_100012180447 [0,1,0,0,0,0|3,0,0]=4 682 B12R1.34 CC(S[13CH3])C(=O)c1ccccc1 62a_100000239700_200025704644 [0,1,0,0,0,0|1,0,1]=3 683 B12R1.34 CC(S[13CH3])C(=O)c1ccccc1 62a_200025704644_100000239700 [0,1,0,0,0,0|1,0,1]=3 684 B12R1.34 CC(c1ccccc1)N(C)CF 269982a_100000195388_100015361967 [0,1,0,0,0,0|3,0,0]=4 685 B12R1.34 CCC(=O)C(C)c1ccccc1 1458a_100000210414_100000230085 [0,1,0,0,0,0|2,0,1]=4 686 B12R1.34 CCC(=O)C(F)c1ccccc1 1458a_100000698975_100000210202 [0,1,0,0,0,0|2,0,1]=4 687 B12R1.34 CCC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000210202 [0,1,0,0,0,0|2,0,1]=4 688 B12R1.34 CCC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000210202 [0,1,0,0,0,0|2,0,1]=4 689 B12R1.34 CCC(C)C(=O)c1ccccc1 1458a_100000185807_100000758301 [0,1,0,0,0,0|1,0,1]=3 690 B12R1.34 CCC(C)N(C)c1ccccc1 2230a_100000210012_100000758301 [0,1,0,0,0,0|2,0,0]=3 691 B12R1.34 CCC(C)N(C)c1ccccc1 269982a_100000210012_100000758301 [0,1,0,0,0,0|2,0,0]=3 692 B12R1.34 CCC(C)N(C)c1ccccc1 34a_100000210012_100011215416 [0,1,0,0,0,0|2,0,0]=3 693 B12R1.34 CCN(C)C(=O)c1ccccc1 11a_100000225621_100000185807 [0,1,0,0,0,0|2,0,1]=4 694 B12R1.34 CCN(C)C(=O)c1ccccc1 1626a_100000225621_100000185807 [0,1,0,0,0,0|2,0,1]=4 695 B12R1.34 CCN(C)C(=O)c1ccccc1 240690a_100000225621_100000185807 [0,1,0,0,0,0|2,0,1]=4 696 B12R1.34 CCN(C)C(=O)c1ccccc1 527a_100000225621_100000185807 [0,1,0,0,0,0|2,0,1]=4 697 B12R1.34 CCN(C)C(C)c1ccccc1 2230a_100000195388_100000210202 [0,1,0,0,0,0|2,0,0]=3 698 B12R1.34 CCN(C)C(C)c1ccccc1 2230a_100000225621_100000230085 [0,1,0,0,0,0|2,0,0]=3 699 B12R1.34 CCN(C)C(C)c1ccccc1 269982a_100000195388_100000204670 [0,1,0,0,0,0|2,0,0]=3 700 B12R1.34 CCN(C)C(C)c1ccccc1 269982a_100000225621_100000230085 [0,1,0,0,0,0|2,0,0]=3 701 B12R1.34 CCN(C)C(C)c1ccccn1 2230a_100000231138_100000210202 [0,1,0,0,0,0|3,0,0]=4 702 B12R1.34 CCN(C)C(C)c1ccccn1 269982a_100000231138_100000204670 [0,1,0,0,0,0|3,0,0]=4 703 B12R1.34 CCN(C)C(C)c1cccnc1 2230a_100000232774_100000210202 [0,1,0,0,0,0|3,0,0]=4 704 B12R1.34 CCN(C)C(C)c1cccnc1 269982a_100000232774_100000204670 [0,1,0,0,0,0|3,0,0]=4 705 B12R1.34 CCN(C)C(C)c1ccncc1 2230a_100000231139_100000210202 [0,1,0,0,0,0|3,0,0]=4 706 B12R1.34 CCN(C)C(C)c1ccncc1 269982a_100000231139_100000204670 [0,1,0,0,0,0|3,0,0]=4 707 B12R1.34 CNC(=O)C(C)c1ccccn1 11a_106832991635_100000722050 [0,1,0,0,0,0|2,0,1]=4 708 B12R1.34 CNC(=O)C(C)c1ccccn1 1626a_100102657272_100000722050 [0,1,0,0,0,0|2,0,1]=4 709 B12R1.34 CNC(=O)C(C)c1ccccn1 240690a_100102657272_100000722050 [0,1,0,0,0,0|2,0,1]=4 710 B12R1.34 CNC(=O)C(C)c1ccccn1 527a_100102657272_100000722050 [0,1,0,0,0,0|2,0,1]=4 711 B12R1.34 CNC(=O)C(F)c1ccccc1 11a_106832991635_100000698975 [0,1,0,0,0,0|1,0,1]=3 712 B12R1.34 CNC(=O)C(F)c1ccccc1 1626a_100102657272_100000698975 [0,1,0,0,0,0|1,0,1]=3 713 B12R1.34 CNC(=O)C(F)c1ccccc1 240690a_100102657272_100000698975 [0,1,0,0,0,0|1,0,1]=3 714 B12R1.34 CNC(=O)C(F)c1ccccc1 527a_100102657272_100000698975 [0,1,0,0,0,0|1,0,1]=3 715 B12R1.34 CNC(=O)N(C)c1ccccc1 512a_106832991638_100000210012 [0,1,0,0,0,0|2,0,1]=4 716 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 11a_106832991635_100000751047 [0,1,0,0,0,0|1,0,1]=3 717 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 1626a_100102657272_100000751047 [0,1,0,0,0,0|1,0,1]=3 718 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 240690a_100102657272_100000751047 [0,1,0,0,0,0|1,0,1]=3 719 B12R1.34 CNC(=O)[C@@H](C)c1ccccc1 527a_100102657272_100000751047 [0,1,0,0,0,0|1,0,1]=3 720 B12R1.34 CNC(=O)[C@H](O)c1ccccc1 240690a_100102657272_100000684486 [0,1,0,0,0,0|1,0,1]=3 721 B12R1.34 CNC(C)C(=O)c1ccccc1 2230a_106832991635_100000239700 [0,1,0,0,0,0|0,0,1]=2 722 B12R1.34 CNC(C)C(=O)c1ccccc1 7a_106832991635_100000239700 [0,1,0,0,0,0|0,0,1]=2 723 B12R1.34 COC(C)N(C)c1ccccc1 269982a_100000210012_100009879195 [0,1,0,0,0,0|2,0,0]=3 724 B12R1.34 CO[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_200000210301 [0,1,0,0,0,0|1,0,0]=2 725 B12R1.34 CSC(C)C(=O)c1ccccc1 62a_100000239700_200000210301 [0,1,0,0,0,0|1,0,1]=3 726 B12R1.34 CSC(C)C(=O)c1ccccc1 62a_200000210301_100000239700 [0,1,0,0,0,0|1,0,1]=3 727 B12R1.34 C[C@H](CO)N(C)c1ccccc1 269982a_100000210012_100016084084 [0,1,0,0,0,0|3,0,0]=4 728 B12R1.34 C[C@H](O[13CH3])[C@@H](N)c1ccccc1 34a_100134616770_200025704644 [0,1,0,0,0,0|1,0,0]=2 729 B12R1.43 C/C(=C\c1ccccc1)/C(=O)[13CH3] 1458a_100016990649_200025704644 [0,1,0,0,0,0|1,0,2]=4 730 B12R1.43 C=C(C)C(=O)Cc1ccccc1 1458a_100000185857_100015291786 [0,1,0,0,0,0|2,0,1]=4 731 B12R1.43 CC(=O)/C(=C/c1ccccc1)/C 1458a_100016990649_200000210301 [0,1,0,0,0,0|1,0,2]=4 732 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000070787_200011218536 [0,1,0,0,0,0|1,0,0]=2 733 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000754839_200000210301 [0,1,0,0,0,0|1,0,0]=2 734 B12R1.43 CC(=O)C(C)Cc1ccccn1 1458a_100012000792_200000210301 [0,1,0,0,0,0|2,0,0]=3 735 B12R1.43 CC(=O)C(C)Oc1ccccc1 1458a_100000188414_200000210301 [0,1,0,0,0,0|2,0,0]=3 736 B12R1.43 CC(=O)C(C)Oc1ccccc1 7a_100000210340_100000179758 [0,1,0,0,0,0|2,0,0]=3 737 B12R1.43 CC(=O)C(C)Oc1cccnc1 7a_100000210849_100000179758 [0,1,0,0,0,0|3,0,0]=4 738 B12R1.43 CC(=O)C(C)Sc1ccccc1 1458a_100000199063_200000210301 [0,1,0,0,0,0|2,0,0]=3 739 B12R1.43 CC(=O)C(C)Sc1ccccc1 62a_100000719477_100009814033 [0,1,0,0,0,0|2,0,0]=3 740 B12R1.43 CC(=O)C(C)Sc1ccccc1 62a_100009814033_100000041952 [0,1,0,0,0,0|2,0,0]=3 741 B12R1.43 CC(=O)C(C)Sc1ccccn1 1458a_100000156770_200000210301 [0,1,0,0,0,0|3,0,0]=4 742 B12R1.43 CC(=O)C(C)Sc1ccccn1 62a_100009814033_100011216584 [0,1,0,0,0,0|3,0,0]=4 743 B12R1.43 CC(=O)C(C)Sc1ccccn1 62a_100011216584_100009814033 [0,1,0,0,0,0|3,0,0]=4 744 B12R1.43 CC(=O)C(C)Sc1cccnc1 62a_100000210063_100009814033 [0,1,0,0,0,0|3,0,0]=4 745 B12R1.43 CC(=O)C(C)Sc1cccnc1 62a_100009814033_100000210063 [0,1,0,0,0,0|3,0,0]=4 746 B12R1.43 CC(=O)C(C)Sc1ccncc1 62a_100000728582_100009814033 [0,1,0,0,0,0|3,0,0]=4 747 B12R1.43 CC(=O)C(C)Sc1ccncc1 62a_100009814033_100000728582 [0,1,0,0,0,0|3,0,0]=4 748 B12R1.43 CC(=O)N(C)Cc1ccccc1 11a_100000186898_100015343762 [0,1,0,0,0,0|2,0,0]=3 749 B12R1.43 CC(=O)N(C)Cc1ccccc1 1626a_100000186898_100015343762 [0,1,0,0,0,0|2,0,0]=3 750 B12R1.43 CC(=O)N(C)Cc1ccccc1 240690a_100000186898_100015343762 [0,1,0,0,0,0|2,0,0]=3 751 B12R1.43 CC(=O)N(C)Cc1ccccc1 527a_100000186898_100103153847 [0,1,0,0,0,0|2,0,0]=3 752 B12R1.43 CC(=O)N(C)Cc1ccccn1 11a_100000207498_100015343762 [0,1,0,0,0,0|3,0,0]=4 753 B12R1.43 CC(=O)N(C)Cc1ccccn1 240690a_100000207498_100015343762 [0,1,0,0,0,0|3,0,0]=4 754 B12R1.43 CC(=O)N(C)Cc1ccccn1 527a_100000207498_100103153847 [0,1,0,0,0,0|3,0,0]=4 755 B12R1.43 CC(=O)N(C)Cc1cccnc1 11a_100000184577_100015343762 [0,1,0,0,0,0|3,0,0]=4 756 B12R1.43 CC(=O)N(C)Cc1cccnc1 240690a_100000184577_100015343762 [0,1,0,0,0,0|3,0,0]=4 757 B12R1.43 CC(=O)N(C)Cc1cccnc1 527a_100000184577_100103153847 [0,1,0,0,0,0|3,0,0]=4 758 B12R1.43 CC(=O)N(C)Cc1ccncc1 11a_100000187231_100015343762 [0,1,0,0,0,0|3,0,0]=4 759 B12R1.43 CC(=O)N(C)Cc1ccncc1 240690a_100000187231_100015343762 [0,1,0,0,0,0|3,0,0]=4 760 B12R1.43 CC(=O)N(C)Cc1ccncc1 527a_100000187231_100103153847 [0,1,0,0,0,0|3,0,0]=4 761 B12R1.43 CC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200000210301 [0,1,0,0,0,0|2,0,0]=3 762 B12R1.43 CC(C)C(=O)Cc1ccccc1 1458a_100000210198_100015291786 [0,1,0,0,0,0|2,0,1]=4 763 B12R1.43 CC(C)N(C)Cc1ccccc1 2230a_100000068392_200000210301 [0,1,0,0,0,0|2,0,0]=3 764 B12R1.43 CC(C)N(C)Cc1ccccc1 2230a_100000186898_100000210206 [0,1,0,0,0,0|2,0,0]=3 765 B12R1.43 CC(C)N(C)Cc1ccccc1 269982a_100000068392_200000210301 [0,1,0,0,0,0|2,0,0]=3 766 B12R1.43 CC(C)N(C)Cc1ccccc1 269982a_100000186898_100000210206 [0,1,0,0,0,0|2,0,0]=3 767 B12R1.43 CC(C)N(C)Cc1ccccc1 269982a_200000211004_100000211182 [0,1,0,0,0,0|2,0,0]=3 768 B12R1.43 CC(C)N(C)Cc1ccccc1 270004a_200000211004_100015611070 [0,1,0,0,0,0|2,0,0]=3 769 B12R1.43 CC(C)N(C)Cc1ccccn1 2230a_100000200191_200000210301 [0,1,0,0,0,0|3,0,0]=4 770 B12R1.43 CC(C)N(C)Cc1ccccn1 2230a_100000207498_100000210206 [0,1,0,0,0,0|3,0,0]=4 771 B12R1.43 CC(C)N(C)Cc1ccccn1 269982a_100000200191_200000210301 [0,1,0,0,0,0|3,0,0]=4 772 B12R1.43 CC(C)N(C)Cc1ccccn1 269982a_100000207498_100000210206 [0,1,0,0,0,0|3,0,0]=4 773 B12R1.43 CC(C)N(C)Cc1ccccn1 269982a_200000211004_100000721315 [0,1,0,0,0,0|3,0,0]=4 774 B12R1.43 CC(C)N(C)Cc1ccccn1 270004a_200000211004_100000209966 [0,1,0,0,0,0|3,0,0]=4 775 B12R1.43 CC(C)N(C)Cc1cccnc1 2230a_100000184577_100000210206 [0,1,0,0,0,0|3,0,0]=4 776 B12R1.43 CC(C)N(C)Cc1cccnc1 2230a_100000200193_200000210301 [0,1,0,0,0,0|3,0,0]=4 777 B12R1.43 CC(C)N(C)Cc1cccnc1 269982a_100000184577_100000210206 [0,1,0,0,0,0|3,0,0]=4 778 B12R1.43 CC(C)N(C)Cc1cccnc1 269982a_100000200193_200000210301 [0,1,0,0,0,0|3,0,0]=4 779 B12R1.43 CC(C)N(C)Cc1cccnc1 269982a_200000211004_100000733263 [0,1,0,0,0,0|3,0,0]=4 780 B12R1.43 CC(C)N(C)Cc1cccnc1 270004a_200000211004_100000209961 [0,1,0,0,0,0|3,0,0]=4 781 B12R1.43 CC(C)N(C)Cc1ccncc1 2230a_100000187231_100000210206 [0,1,0,0,0,0|3,0,0]=4 782 B12R1.43 CC(C)N(C)Cc1ccncc1 269982a_100000187231_100000210206 [0,1,0,0,0,0|3,0,0]=4 783 B12R1.43 CC(C)N(C)Cc1ccncc1 269982a_200000211004_100015193705 [0,1,0,0,0,0|3,0,0]=4 784 B12R1.43 CC(C)N([13CH3])Cc1ccccc1 2230a_100000068392_200025704644 [0,1,0,0,0,0|2,0,0]=3 785 B12R1.43 CC(C)N([13CH3])Cc1ccccc1 269982a_100000068392_200025704644 [0,1,0,0,0,0|2,0,0]=3 786 B12R1.43 CC(C)N([13CH3])Cc1ccccn1 2230a_100000200191_200025704644 [0,1,0,0,0,0|3,0,0]=4 787 B12R1.43 CC(C)N([13CH3])Cc1ccccn1 269982a_100000200191_200025704644 [0,1,0,0,0,0|3,0,0]=4 788 B12R1.43 CC(C)N([13CH3])Cc1cccnc1 2230a_100000200193_200025704644 [0,1,0,0,0,0|3,0,0]=4 789 B12R1.43 CC(C)N([13CH3])Cc1cccnc1 269982a_100000200193_200025704644 [0,1,0,0,0,0|3,0,0]=4 790 B12R1.43 CC(C[n+]1ccccc1)N(C)C 270004a_100102631434_100000034229 [0,1,0,0,0,0|1,0,0]=2 791 B12R1.43 CC(Cc1ccccc1)C(=O)[13CH3] 1458a_100000754839_200025704644 [0,1,0,0,0,0|1,0,0]=2 792 B12R1.43 CC(Cc1ccccc1)N(C)C 269982a_100102631434_200011218536 [0,1,0,0,0,0|0,0,0]=1 793 B12R1.43 CC(Cc1ccccn1)C(=O)[13CH3] 1458a_100012000792_200025704644 [0,1,0,0,0,0|2,0,0]=3 794 B12R1.43 CC(Cc1ccccn1)N(C)C 2230a_200011351704_200000210301 [0,1,0,0,0,0|1,0,0]=2 795 B12R1.43 CC(Cc1ccccn1)N(C)C 269982a_200011351704_200000210301 [0,1,0,0,0,0|1,0,0]=2 796 B12R1.43 CC(Cc1ccccn1)N(C)[13CH3] 2230a_200011351704_200025704644 [0,1,0,0,0,0|1,0,0]=2 797 B12R1.43 CC(Cc1ccccn1)N(C)[13CH3] 269982a_200011351704_200025704644 [0,1,0,0,0,0|1,0,0]=2 798 B12R1.43 CC(Cc1cccnc1)N(C)C 270004a_100102631434_100015187140 [0,1,0,0,0,0|1,0,0]=2 799 B12R1.43 CC(Cc1ccncc1)N(C)C 270004a_100102631434_100000238508 [0,1,0,0,0,0|1,0,0]=2 800 B12R1.43 CC(Cc1cnccn1)N(C)C 270004a_100102631434_100015184882 [0,1,0,0,0,0|2,0,0]=3 801 B12R1.43 CC(F)C(=O)Cc1ccccc1 1458a_100000062450_100015291786 [0,1,0,0,0,0|2,0,1]=4 802 B12R1.43 CC(Nc1ccccc1)C(=O)N 34a_100000106764_100000702099 [0,1,0,0,0,0|3,0,0]=4 803 B12R1.43 CC(Oc1ccccc1)C(=O)N 34a_100000210340_100000702099 [0,1,0,0,0,0|3,0,0]=4 804 B12R1.43 CC(Oc1ccccc1)C(=O)N 7a_100000210340_100000702099 [0,1,0,0,0,0|3,0,0]=4 805 B12R1.43 CC(Oc1ccccc1)C(=O)[13CH3] 1458a_100000188414_200025704644 [0,1,0,0,0,0|2,0,0]=3 806 B12R1.43 CC(Sc1ccccc1)C(=O)N 62a_100000702099_100000041952 [0,1,0,0,0,0|3,0,0]=4 807 B12R1.43 CC(Sc1ccccc1)C(=O)N 62a_100000719477_100000702099 [0,1,0,0,0,0|3,0,0]=4 808 B12R1.43 CC(Sc1ccccc1)C(=O)[13CH3] 1458a_100000199063_200025704644 [0,1,0,0,0,0|2,0,0]=3 809 B12R1.43 CC(Sc1ccccn1)C(=O)[13CH3] 1458a_100000156770_200025704644 [0,1,0,0,0,0|3,0,0]=4 810 B12R1.43 CN(C)C(=O)C[n+]1ccccc1 11a_100102631434_200000086051 [0,1,0,0,0,0|2,0,1]=4 811 B12R1.43 CN(C)C(=O)C[n+]1ccccc1 240690a_100102631434_200000086051 [0,1,0,0,0,0|2,0,1]=4 812 B12R1.43 CN(C)C(=O)C[n+]1ccccc1 527a_100102631434_200000086051 [0,1,0,0,0,0|2,0,1]=4 813 B12R1.43 CN(C)C(=O)Cc1ccccn1 11a_100102631434_100000233486 [0,1,0,0,0,0|2,0,1]=4 814 B12R1.43 CN(C)C(=O)Cc1cccnc1 11a_100102631434_100000737805 [0,1,0,0,0,0|2,0,1]=4 815 B12R1.43 CN(C)C(=O)Cc1cccnc1 240690a_100102631434_100000737805 [0,1,0,0,0,0|2,0,1]=4 816 B12R1.43 CN(C)C(=O)Cc1cccnc1 527a_100102631434_100000737805 [0,1,0,0,0,0|2,0,1]=4 817 B12R1.43 CN(C)C(=O)Cc1ccncc1 11a_100102631434_100011201483 [0,1,0,0,0,0|2,0,1]=4 818 B12R1.43 CN(C)C(=O)Cc1ccncc1 240690a_100102631434_100011201483 [0,1,0,0,0,0|2,0,1]=4 819 B12R1.43 CN(C)C(=O)Nc1ccccc1 2430a_100000106764_100102631434 [0,1,0,0,0,0|2,0,1]=4 820 B12R1.43 C[C@@H](O)C(=O)Cc1ccccc1 1458a_100000717761_100015291786 [0,1,0,0,0,0|2,0,1]=4 821 B12R1.43 C[C@H](O)C(=O)Cc1ccccc1 1458a_217856618621_100015291786 [0,1,0,0,0,0|2,0,1]=4 822 B12R1.43 [13CH3]C(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200025704644 [0,1,0,0,0,0|2,0,0]=3 823 B12R1.49 C#CC(C)Nc1ccc(cc1)Br 34a_100000210018_200000035995 [0,1,0,0,0,0|2,0,1]=4 824 B12R1.49 C#CC(C)Nc1ccc(cc1)C 34a_100000124888_200000035995 [0,1,0,0,0,0|2,0,1]=4 825 B12R1.49 C#CC(C)Nc1ccc(cc1)Cl 34a_100000210052_200000035995 [0,1,0,0,0,0|2,0,1]=4 826 B12R1.49 C#CC(C)Nc1ccc(cc1)F 34a_100000185862_200000035995 [0,1,0,0,0,0|2,0,1]=4 827 B12R1.49 C#CC(C)Nc1ccc(cc1)I 34a_100000185761_200000035995 [0,1,0,0,0,0|2,0,1]=4 828 B12R1.49 C#CC(C)Nc1ccc(cc1)O 34a_100000185829_200000035995 [0,1,0,0,0,0|2,0,1]=4 829 B12R1.49 C#CC(C)Oc1ccc(cc1)Br 34a_100000185759_200000035995 [0,1,0,0,0,0|2,0,1]=4 830 B12R1.49 C#CC(C)Oc1ccc(cc1)C 34a_100000210336_200000035995 [0,1,0,0,0,0|2,0,1]=4 831 B12R1.49 C#CC(C)Oc1ccc(cc1)Cl 34a_100000210216_200000035995 [0,1,0,0,0,0|2,0,1]=4 832 B12R1.49 C#CC(C)Oc1ccc(cc1)F 34a_100000210339_200000035995 [0,1,0,0,0,0|2,0,1]=4 833 B12R1.49 C#CC(C)Oc1ccc(cc1)I 34a_100000212066_200000035995 [0,1,0,0,0,0|2,0,1]=4 834 B12R1.49 C#CC(C)Oc1ccc(cc1)N 34a_100000185829_200000035995 [0,1,0,0,0,0|2,0,1]=4 835 B12R1.49 C#CC(C)Sc1ccc(cc1)Br 62a_200000035995_100000752885 [0,1,0,0,0,0|2,0,1]=4 836 B12R1.49 C#CC(C)Sc1ccc(cc1)C 62a_200000035995_100000186775 [0,1,0,0,0,0|2,0,1]=4 837 B12R1.49 C#CC(C)Sc1ccc(cc1)Cl 62a_200000035995_100000755918 [0,1,0,0,0,0|2,0,1]=4 838 B12R1.49 C#CC(C)Sc1ccc(cc1)F 62a_200000035995_100000211213 [0,1,0,0,0,0|2,0,1]=4 839 B12R1.49 C#CC(C)Sc1ccc(cc1)N 62a_200000035995_100000185761 [0,1,0,0,0,0|2,0,1]=4 840 B12R1.49 C#CC(C)Sc1ccc(cc1)O 62a_200000035995_100000185759 [0,1,0,0,0,0|2,0,1]=4 841 B12R1.49 C=CC(C)Sc1ccc(cc1)Br 62a_100011215867_100000752885 [0,1,0,0,0,0|2,0,1]=4 842 B12R1.49 C=CC(C)Sc1ccc(cc1)C 62a_100011215867_100000186775 [0,1,0,0,0,0|2,0,1]=4 843 B12R1.49 C=CC(C)Sc1ccc(cc1)Cl 62a_100011215867_100000755918 [0,1,0,0,0,0|2,0,1]=4 844 B12R1.49 C=CC(C)Sc1ccc(cc1)F 62a_100011215867_100000211213 [0,1,0,0,0,0|2,0,1]=4 845 B12R1.49 C=CC(C)Sc1ccc(cc1)N 62a_100011215867_100000185761 [0,1,0,0,0,0|2,0,1]=4 846 B12R1.49 C=CC(C)Sc1ccc(cc1)O 62a_100011215867_100000185759 [0,1,0,0,0,0|2,0,1]=4 847 B12R1.49 CC(C#N)Nc1ccc(cc1)Br 2230a_100000210018_100000184139 [0,1,0,0,0,0|3,0,0]=4 848 B12R1.49 CC(C#N)Nc1ccc(cc1)Cl 2230a_100000210052_100000184139 [0,1,0,0,0,0|3,0,0]=4 849 B12R1.49 CC(C#N)Oc1ccc(cc1)Br 7a_100000185759_100000703298 [0,1,0,0,0,0|3,0,0]=4 850 B12R1.49 CC(C#N)Oc1ccc(cc1)Cl 7a_100000210216_100000703298 [0,1,0,0,0,0|3,0,0]=4 851 B12R1.49 CC(C#N)Oc1ccc(cc1)I 7a_100000212066_100000703298 [0,1,0,0,0,0|3,0,0]=4 852 B12R1.49 CC(C#N)Sc1ccc(cc1)Br 62a_100000703298_100000752885 [0,1,0,0,0,0|3,0,0]=4 853 B12R1.49 CC(C#N)Sc1ccc(cc1)Br 62a_100000752885_100000703298 [0,1,0,0,0,0|3,0,0]=4 854 B12R1.49 CC(C#N)Sc1ccc(cc1)Cl 62a_100000703298_100000755918 [0,1,0,0,0,0|3,0,0]=4 855 B12R1.49 CC(C#N)Sc1ccc(cc1)Cl 62a_100000755918_100000703298 [0,1,0,0,0,0|3,0,0]=4 856 B12R1.49 CC(C#N)Sc1ccc(cc1)F 62a_100000211213_100000703298 [0,1,0,0,0,0|3,0,0]=4 857 B12R1.49 CC(C#N)Sc1ccc(cc1)F 62a_100000703298_100000211213 [0,1,0,0,0,0|3,0,0]=4 858 B12R1.49 CC(C#N)Sc1ccc(cc1)N 62a_100000185761_100000703298 [0,1,0,0,0,0|3,0,0]=4 859 B12R1.49 CC(C#N)Sc1ccc(cc1)N 62a_100000703298_100000185761 [0,1,0,0,0,0|3,0,0]=4 860 B12R1.49 CC(C#N)Sc1ccc(cc1)O 62a_100000703298_100000185759 [0,1,0,0,0,0|3,0,0]=4 861 B12R1.49 CC(CO)Nc1ccc(cc1)Br 2230a_100000210018_100012180447 [0,1,0,0,0,0|3,0,0]=4 862 B12R1.49 CC(CO)Nc1ccc(cc1)Br 34a_100000210018_100012180447 [0,1,0,0,0,0|3,0,0]=4 863 B12R1.49 CC(CO)Nc1ccc(cc1)Cl 2230a_100000210052_100012180447 [0,1,0,0,0,0|3,0,0]=4 864 B12R1.49 CC(CO)Nc1ccc(cc1)Cl 34a_100000210052_100012180447 [0,1,0,0,0,0|3,0,0]=4 865 B12R1.49 CC(CO)Nc1ccc(cc1)F 34a_100000185862_100012180447 [0,1,0,0,0,0|3,0,0]=4 866 B12R1.49 CC(CO)Nc1ccc(cc1)I 34a_100000185761_100012180447 [0,1,0,0,0,0|3,0,0]=4 867 B12R1.49 CC(CO)Nc1ccc(cc1)O 34a_100000185829_100012180447 [0,1,0,0,0,0|3,0,0]=4 868 B12R1.49 CC(CO)Oc1ccc(cc1)Br 34a_100000185759_100012180447 [0,1,0,0,0,0|3,0,0]=4 869 B12R1.49 CC(CO)Oc1ccc(cc1)Br 7a_100000185759_100012180447 [0,1,0,0,0,0|3,0,0]=4 870 B12R1.49 CC(CO)Oc1ccc(cc1)Cl 34a_100000210216_100012180447 [0,1,0,0,0,0|3,0,0]=4 871 B12R1.49 CC(CO)Oc1ccc(cc1)Cl 7a_100000210216_100012180447 [0,1,0,0,0,0|3,0,0]=4 872 B12R1.49 CC(CO)Oc1ccc(cc1)F 34a_100000210339_100012180447 [0,1,0,0,0,0|3,0,0]=4 873 B12R1.49 CC(CO)Oc1ccc(cc1)I 34a_100000212066_100012180447 [0,1,0,0,0,0|3,0,0]=4 874 B12R1.49 CC(CO)Oc1ccc(cc1)I 7a_100000212066_100012180447 [0,1,0,0,0,0|3,0,0]=4 875 B12R1.49 CC(CO)Oc1ccc(cc1)N 34a_100000185829_100012180447 [0,1,0,0,0,0|3,0,0]=4 876 B12R1.49 CC(CO)Sc1ccc(cc1)Br 62a_100012180447_100000752885 [0,1,0,0,0,0|3,0,0]=4 877 B12R1.49 CC(CO)Sc1ccc(cc1)Cl 62a_100012180447_100000755918 [0,1,0,0,0,0|3,0,0]=4 878 B12R1.49 CC(CO)Sc1ccc(cc1)F 62a_100012180447_100000211213 [0,1,0,0,0,0|3,0,0]=4 879 B12R1.49 CC(CO)Sc1ccc(cc1)N 62a_100012180447_100000185761 [0,1,0,0,0,0|3,0,0]=4 880 B12R1.49 CC(CO)Sc1ccc(cc1)O 62a_100012180447_100000185759 [0,1,0,0,0,0|3,0,0]=4 881 B12R1.49 CC(Cc1ccc(cc1)F)O[13CH3] 34a_100011351027_200025704644 [0,1,0,0,0,0|1,0,0]=2 882 B12R1.49 CC(Cc1ccc(cc1)F)O[13CH3] 7a_100011351027_200025704644 [0,1,0,0,0,0|1,0,0]=2 883 B12R1.49 CC(Cc1ccc(cc1)O)N[13CH3] 2230a_100102634573_200025704644 [0,1,0,0,0,0|0,0,0]=1 884 B12R1.49 CC(Cc1ccc(cc1)O)N[13CH3] 34a_100102634573_200025704644 [0,1,0,0,0,0|0,0,0]=1 885 B12R1.49 CCC(=O)Cc1ccc(cc1)Br 1458a_100000198978_100000210202 [0,1,0,0,0,0|2,0,1]=4 886 B12R1.49 CCC(=O)Cc1ccc(cc1)Br 1458a_100000210414_100000189115 [0,1,0,0,0,0|2,0,1]=4 887 B12R1.49 CCC(=O)Cc1ccc(cc1)C 1458a_100000210414_100000210814 [0,1,0,0,0,0|2,0,1]=4 888 B12R1.49 CCC(=O)Cc1ccc(cc1)C 1458a_100000212244_100000210202 [0,1,0,0,0,0|2,0,1]=4 889 B12R1.49 CCC(=O)Cc1ccc(cc1)Cl 1458a_100000210414_100000694040 [0,1,0,0,0,0|2,0,1]=4 890 B12R1.49 CCC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_100000210202 [0,1,0,0,0,0|2,0,1]=4 891 B12R1.49 CCC(=O)Cc1ccc(cc1)F 1458a_100000210414_100000198546 [0,1,0,0,0,0|2,0,1]=4 892 B12R1.49 CCC(=O)Cc1ccc(cc1)F 1458a_100000210951_100000210202 [0,1,0,0,0,0|2,0,1]=4 893 B12R1.49 CCC(=O)Cc1ccc(cc1)I 1458a_100000210414_100000189116 [0,1,0,0,0,0|2,0,1]=4 894 B12R1.49 CCC(=O)Cc1ccc(cc1)I 1458a_100000688869_100000210202 [0,1,0,0,0,0|2,0,1]=4 895 B12R1.49 CCC(=O)Cc1ccc(cc1)O 1458a_100000198540_100000210202 [0,1,0,0,0,0|2,0,1]=4 896 B12R1.49 CCC(C)Nc1ccc(cc1)Br 2230a_100000210018_100000758301 [0,1,0,0,0,0|2,0,0]=3 897 B12R1.49 CCC(C)Nc1ccc(cc1)Br 34a_100000210018_100011215416 [0,1,0,0,0,0|2,0,0]=3 898 B12R1.49 CCC(C)Nc1ccc(cc1)C 34a_100000124888_100011215416 [0,1,0,0,0,0|2,0,0]=3 899 B12R1.49 CCC(C)Nc1ccc(cc1)Cl 2230a_100000210052_100000758301 [0,1,0,0,0,0|2,0,0]=3 900 B12R1.49 CCC(C)Nc1ccc(cc1)Cl 34a_100000210052_100011215416 [0,1,0,0,0,0|2,0,0]=3 901 B12R1.49 CCC(C)Nc1ccc(cc1)F 34a_100000185862_100011215416 [0,1,0,0,0,0|2,0,0]=3 902 B12R1.49 CCC(C)Nc1ccc(cc1)I 34a_100000185761_100011215416 [0,1,0,0,0,0|2,0,0]=3 903 B12R1.49 CCC(C)Nc1ccc(cc1)O 34a_100000185829_100011215416 [0,1,0,0,0,0|2,0,0]=3 904 B12R1.49 CCC(C)Oc1ccc(=O)[nH]c1 34a_100000075641_100011215416 [0,1,0,0,0,0|3,0,0]=4 905 B12R1.49 CCC(C)Oc1ccc(cc1)Br 34a_100000185759_100011215416 [0,1,0,0,0,0|2,0,0]=3 906 B12R1.49 CCC(C)Oc1ccc(cc1)Br 7a_100000185759_100000758301 [0,1,0,0,0,0|2,0,0]=3 907 B12R1.49 CCC(C)Oc1ccc(cc1)C 34a_100000210336_100011215416 [0,1,0,0,0,0|2,0,0]=3 908 B12R1.49 CCC(C)Oc1ccc(cc1)C 7a_100000210336_100000758301 [0,1,0,0,0,0|2,0,0]=3 909 B12R1.49 CCC(C)Oc1ccc(cc1)Cl 34a_100000210216_100011215416 [0,1,0,0,0,0|2,0,0]=3 910 B12R1.49 CCC(C)Oc1ccc(cc1)Cl 7a_100000210216_100000758301 [0,1,0,0,0,0|2,0,0]=3 911 B12R1.49 CCC(C)Oc1ccc(cc1)F 34a_100000210339_100011215416 [0,1,0,0,0,0|2,0,0]=3 912 B12R1.49 CCC(C)Oc1ccc(cc1)I 34a_100000212066_100011215416 [0,1,0,0,0,0|2,0,0]=3 913 B12R1.49 CCC(C)Oc1ccc(cc1)I 7a_100000212066_100000758301 [0,1,0,0,0,0|2,0,0]=3 914 B12R1.49 CCC(C)Oc1ccc(cc1)N 34a_100000185829_100011215416 [0,1,0,0,0,0|2,0,0]=3 915 B12R1.49 CCC(C)Oc1ccc(cn1)C 34a_100000759353_100011215416 [0,1,0,0,0,0|3,0,0]=4 916 B12R1.49 CCC(C)Oc1ccc(cn1)Cl 34a_100011215309_100011215416 [0,1,0,0,0,0|3,0,0]=4 917 B12R1.49 CCC(C)Oc1ccc(cn1)F 34a_100000742473_100011215416 [0,1,0,0,0,0|3,0,0]=4 918 B12R1.49 CCC(C)Oc1ccc(cn1)N 34a_100000729260_100011215416 [0,1,0,0,0,0|3,0,0]=4 919 B12R1.49 CCC(C)Oc1ccc(nc1)Br 34a_100000685995_100011215416 [0,1,0,0,0,0|3,0,0]=4 920 B12R1.49 CCC(C)Oc1ccc(nc1)Br 7a_100000685995_100000758301 [0,1,0,0,0,0|3,0,0]=4 921 B12R1.49 CCC(C)Oc1ccc(nc1)C 34a_100000745506_100011215416 [0,1,0,0,0,0|3,0,0]=4 922 B12R1.49 CCC(C)Oc1ccc(nc1)C 7a_100000745506_100000758301 [0,1,0,0,0,0|3,0,0]=4 923 B12R1.49 CCC(C)Oc1ccc(nc1)Cl 34a_100000744096_100011215416 [0,1,0,0,0,0|3,0,0]=4 924 B12R1.49 CCC(C)Oc1ccc(nc1)Cl 7a_100000744096_100000758301 [0,1,0,0,0,0|3,0,0]=4 925 B12R1.49 CCC(C)Oc1ccc(nc1)F 34a_100000688820_100011215416 [0,1,0,0,0,0|3,0,0]=4 926 B12R1.49 CCC(C)Oc1ccc(nc1)F 7a_100000688820_100000758301 [0,1,0,0,0,0|3,0,0]=4 927 B12R1.49 CCC(C)Oc1ccc(nc1)I 34a_100000687607_100011215416 [0,1,0,0,0,0|3,0,0]=4 928 B12R1.49 CCC(C)Oc1ccc(nc1)I 7a_100000687607_100000758301 [0,1,0,0,0,0|3,0,0]=4 929 B12R1.49 CCC(C)Oc1ccc(nc1)N 34a_100015188713_100011215416 [0,1,0,0,0,0|3,0,0]=4 930 B12R1.49 CCC(C)Oc1ccc(nc1)N 7a_100015188713_100000758301 [0,1,0,0,0,0|3,0,0]=4 931 B12R1.49 CCC(C)Sc1cc[n+](cc1)[O-] 62a_100000758301_100000039755 [0,1,0,0,0,0|3,0,0]=4 932 B12R1.49 CCC(C)Sc1ccc(=O)[nH]c1 62a_100000212171_100000758301 [0,1,0,0,0,0|3,0,0]=4 933 B12R1.49 CCC(C)Sc1ccc(=O)[nH]c1 62a_100000758301_100000212171 [0,1,0,0,0,0|3,0,0]=4 934 B12R1.49 CCC(C)Sc1ccc(cc1)Br 62a_100000752885_100000758301 [0,1,0,0,0,0|2,0,0]=3 935 B12R1.49 CCC(C)Sc1ccc(cc1)Br 62a_100000758301_100000752885 [0,1,0,0,0,0|2,0,0]=3 936 B12R1.49 CCC(C)Sc1ccc(cc1)C 62a_100000186775_100000758301 [0,1,0,0,0,0|2,0,0]=3 937 B12R1.49 CCC(C)Sc1ccc(cc1)C 62a_100000758301_100000186775 [0,1,0,0,0,0|2,0,0]=3 938 B12R1.49 CCC(C)Sc1ccc(cc1)Cl 62a_100000755918_100000758301 [0,1,0,0,0,0|2,0,0]=3 939 B12R1.49 CCC(C)Sc1ccc(cc1)Cl 62a_100000758301_100000755918 [0,1,0,0,0,0|2,0,0]=3 940 B12R1.49 CCC(C)Sc1ccc(cc1)F 62a_100000211213_100000758301 [0,1,0,0,0,0|2,0,0]=3 941 B12R1.49 CCC(C)Sc1ccc(cc1)F 62a_100000758301_100000211213 [0,1,0,0,0,0|2,0,0]=3 942 B12R1.49 CCC(C)Sc1ccc(cc1)N 62a_100000185761_100000758301 [0,1,0,0,0,0|2,0,0]=3 943 B12R1.49 CCC(C)Sc1ccc(cc1)N 62a_100000758301_100000185761 [0,1,0,0,0,0|2,0,0]=3 944 B12R1.49 CCC(C)Sc1ccc(cc1)O 62a_100000758301_100000185759 [0,1,0,0,0,0|2,0,0]=3 945 B12R1.49 CCC(C)Sc1ccc(cn1)Br 62a_100000686858_100000758301 [0,1,0,0,0,0|3,0,0]=4 946 B12R1.49 CCC(C)Sc1ccc(cn1)Br 62a_100000758301_100000686858 [0,1,0,0,0,0|3,0,0]=4 947 B12R1.49 CCC(C)Sc1ccc(cn1)C 62a_100000758301_100000754016 [0,1,0,0,0,0|3,0,0]=4 948 B12R1.49 CCC(C)Sc1ccc(cn1)C 62a_100011192072_100000758301 [0,1,0,0,0,0|3,0,0]=4 949 B12R1.49 CCC(C)Sc1ccc(cn1)Cl 62a_100000758301_100011356976 [0,1,0,0,0,0|3,0,0]=4 950 B12R1.49 CCC(C)Sc1ccc(cn1)Cl 62a_100011356976_100000758301 [0,1,0,0,0,0|3,0,0]=4 951 B12R1.49 CCC(C)Sc1ccc(cn1)F 62a_100000744514_100000758301 [0,1,0,0,0,0|3,0,0]=4 952 B12R1.49 CCC(C)Sc1ccc(cn1)F 62a_100000758301_100000744514 [0,1,0,0,0,0|3,0,0]=4 953 B12R1.49 CCC(C)Sc1ccc(cn1)N 62a_100000737798_100000758301 [0,1,0,0,0,0|3,0,0]=4 954 B12R1.49 CCC(C)Sc1ccc(cn1)N 62a_100000758301_100000737798 [0,1,0,0,0,0|3,0,0]=4 955 B12R1.49 CCC(C)Sc1ccc(cn1)O 62a_100000685995_100000758301 [0,1,0,0,0,0|3,0,0]=4 956 B12R1.49 CCC(C)Sc1ccc(cn1)O 62a_100000758301_100000744096 [0,1,0,0,0,0|3,0,0]=4 957 B12R1.49 CCC(C)Sc1ccc(nc1)Br 62a_100000758301_100009814638 [0,1,0,0,0,0|3,0,0]=4 958 B12R1.49 CCC(C)Sc1ccc(nc1)Br 62a_100009814638_100000758301 [0,1,0,0,0,0|3,0,0]=4 959 B12R1.49 CCC(C)Sc1ccc(nc1)C 62a_100000751577_100000758301 [0,1,0,0,0,0|3,0,0]=4 960 B12R1.49 CCC(C)Sc1ccc(nc1)C 62a_100000758301_100000751577 [0,1,0,0,0,0|3,0,0]=4 961 B12R1.49 CCC(C)Sc1ccc(nc1)Cl 62a_100000034144_100000758301 [0,1,0,0,0,0|3,0,0]=4 962 B12R1.49 CCC(C)Sc1ccc(nc1)Cl 62a_100000758301_100000034144 [0,1,0,0,0,0|3,0,0]=4 963 B12R1.49 CCC(C)Sc1ccc(nc1)F 62a_100000042367_100000758301 [0,1,0,0,0,0|3,0,0]=4 964 B12R1.49 CCC(C)Sc1ccc(nc1)F 62a_100000758301_100000042367 [0,1,0,0,0,0|3,0,0]=4 965 B12R1.49 CCC(C)Sc1ccc(nc1)N 62a_100000187370_100000758301 [0,1,0,0,0,0|3,0,0]=4 966 B12R1.49 CCC(C)Sc1ccc(nc1)N 62a_100000758301_100000187370 [0,1,0,0,0,0|3,0,0]=4 967 B12R1.49 CCN(C)Cc1ccc(cc1)Br 2230a_100000180866_100000210202 [0,1,0,0,0,0|2,0,0]=3 968 B12R1.49 CCN(C)Cc1ccc(cc1)Br 2230a_100000187385_200000210301 [0,1,0,0,0,0|2,0,0]=3 969 B12R1.49 CCN(C)Cc1ccc(cc1)Br 2230a_100000225621_100011217064 [0,1,0,0,0,0|2,0,0]=3 970 B12R1.49 CCN(C)Cc1ccc(cc1)Br 269982a_100000180866_100000204670 [0,1,0,0,0,0|2,0,0]=3 971 B12R1.49 CCN(C)Cc1ccc(cc1)Br 269982a_100000187385_200000210301 [0,1,0,0,0,0|2,0,0]=3 972 B12R1.49 CCN(C)Cc1ccc(cc1)Br 269982a_100000225621_100011217064 [0,1,0,0,0,0|2,0,0]=3 973 B12R1.49 CCN(C)Cc1ccc(cc1)Br 26a_100000225621_100000185759 [0,1,0,0,0,0|2,0,0]=3 974 B12R1.49 CCN(C)Cc1ccc(cc1)C 2230a_100000180869_200000210301 [0,1,0,0,0,0|2,0,0]=3 975 B12R1.49 CCN(C)Cc1ccc(cc1)C 2230a_100000225621_100000210814 [0,1,0,0,0,0|2,0,0]=3 976 B12R1.49 CCN(C)Cc1ccc(cc1)C 2230a_100000744650_100000210202 [0,1,0,0,0,0|2,0,0]=3 977 B12R1.49 CCN(C)Cc1ccc(cc1)C 269982a_100000180869_200000210301 [0,1,0,0,0,0|2,0,0]=3 978 B12R1.49 CCN(C)Cc1ccc(cc1)C 269982a_100000225621_100000210814 [0,1,0,0,0,0|2,0,0]=3 979 B12R1.49 CCN(C)Cc1ccc(cc1)C 269982a_100000744650_100000204670 [0,1,0,0,0,0|2,0,0]=3 980 B12R1.49 CCN(C)Cc1ccc(cc1)C 26a_100000225621_200020625495 [0,1,0,0,0,0|2,0,0]=3 981 B12R1.49 CCN(C)Cc1ccc(cc1)C 34a_100000744650_100000210202 [0,1,0,0,0,0|2,0,0]=3 982 B12R1.49 CCN(C)Cc1ccc(cc1)Cl 2230a_100000180830_200000210301 [0,1,0,0,0,0|2,0,0]=3 983 B12R1.49 CCN(C)Cc1ccc(cc1)Cl 2230a_100000184517_100000210202 [0,1,0,0,0,0|2,0,0]=3 984 B12R1.49 CCN(C)Cc1ccc(cc1)Cl 2230a_100000225621_100000694040 [0,1,0,0,0,0|2,0,0]=3 985 B12R1.49 CCN(C)Cc1ccc(cc1)Cl 269982a_100000180830_200000210301 [0,1,0,0,0,0|2,0,0]=3 986 B12R1.49 CCN(C)Cc1ccc(cc1)Cl 269982a_100000184517_100000204670 [0,1,0,0,0,0|2,0,0]=3 987 B12R1.49 CCN(C)Cc1ccc(cc1)Cl 269982a_100000225621_100000187161 [0,1,0,0,0,0|2,0,0]=3 988 B12R1.49 CCN(C)Cc1ccc(cc1)Cl 34a_100000184517_100000210202 [0,1,0,0,0,0|2,0,0]=3 989 B12R1.49 CCN(C)Cc1ccc(cc1)F 2230a_100000184576_100000210202 [0,1,0,0,0,0|2,0,0]=3 990 B12R1.49 CCN(C)Cc1ccc(cc1)F 2230a_100000225621_100000198546 [0,1,0,0,0,0|2,0,0]=3 991 B12R1.49 CCN(C)Cc1ccc(cc1)F 2230a_100015183324_200000210301 [0,1,0,0,0,0|2,0,0]=3 992 B12R1.49 CCN(C)Cc1ccc(cc1)F 269982a_100000184576_100000204670 [0,1,0,0,0,0|2,0,0]=3 993 B12R1.49 CCN(C)Cc1ccc(cc1)F 269982a_100000225621_100000198546 [0,1,0,0,0,0|2,0,0]=3 994 B12R1.49 CCN(C)Cc1ccc(cc1)F 269982a_100015183324_200000210301 [0,1,0,0,0,0|2,0,0]=3 995 B12R1.49 CCN(C)Cc1ccc(cc1)F 34a_100000184576_100000210202 [0,1,0,0,0,0|2,0,0]=3 996 B12R1.49 CCN(C)Cc1ccc(cc1)F 34a_100015183324_200000210301 [0,1,0,0,0,0|2,0,0]=3 997 B12R1.49 CCN(C)Cc1ccc(cc1)I 2230a_100000225621_100000189116 [0,1,0,0,0,0|2,0,0]=3 998 B12R1.49 CCN(C)Cc1ccc(cc1)I 269982a_100000225621_100000189116 [0,1,0,0,0,0|2,0,0]=3 999 B12R1.49 CCN(C)Cc1ccc(cc1)O 2230a_100000207500_100000210202 [0,1,0,0,0,0|2,0,0]=3 1000 B12R1.49 CCN(C)Cc1ccc(cc1)O 269982a_100000207500_100000204670 [0,1,0,0,0,0|2,0,0]=3 1001 B12R1.49 CCN(C)Cc1ccc(cc1)O 269982a_100000748449_200000210301 [0,1,0,0,0,0|2,0,0]=3 1002 B12R1.49 CCN(C)Cc1ccc(cn1)Br 2230a_100000225621_100000702658 [0,1,0,0,0,0|3,0,0]=4 1003 B12R1.49 CCN(C)Cc1ccc(cn1)Br 269982a_100000225621_100000702658 [0,1,0,0,0,0|3,0,0]=4 1004 B12R1.49 CCN(C)Cc1ccc(cn1)C 2230a_100000225621_100000691093 [0,1,0,0,0,0|3,0,0]=4 1005 B12R1.49 CCN(C)Cc1ccc(cn1)C 2230a_200000717808_100000210202 [0,1,0,0,0,0|3,0,0]=4 1006 B12R1.49 CCN(C)Cc1ccc(cn1)C 269982a_100000225621_100000691093 [0,1,0,0,0,0|3,0,0]=4 1007 B12R1.49 CCN(C)Cc1ccc(cn1)C 269982a_200000717808_100000204670 [0,1,0,0,0,0|3,0,0]=4 1008 B12R1.49 CCN(C)Cc1ccc(cn1)Cl 2230a_100000225621_100012066911 [0,1,0,0,0,0|3,0,0]=4 1009 B12R1.49 CCN(C)Cc1ccc(cn1)Cl 269982a_100000225621_100000697101 [0,1,0,0,0,0|3,0,0]=4 1010 B12R1.49 CCN(C)Cc1ccc(cn1)F 2230a_100000225621_100000703193 [0,1,0,0,0,0|3,0,0]=4 1011 B12R1.49 CCN(C)Cc1ccc(cn1)F 269982a_100000225621_100000703193 [0,1,0,0,0,0|3,0,0]=4 1012 B12R1.49 CCN(C)Cc1ccc(nc1)Br 2230a_100000225621_100009831999 [0,1,0,0,0,0|3,0,0]=4 1013 B12R1.49 CCN(C)Cc1ccc(nc1)Br 269982a_100000225621_100009831999 [0,1,0,0,0,0|3,0,0]=4 1014 B12R1.49 CCN(C)Cc1ccc(nc1)C 2230a_100000225621_100016987292 [0,1,0,0,0,0|3,0,0]=4 1015 B12R1.49 CCN(C)Cc1ccc(nc1)C 2230a_106623407658_100000210202 [0,1,0,0,0,0|3,0,0]=4 1016 B12R1.49 CCN(C)Cc1ccc(nc1)C 269982a_100000225621_100016987292 [0,1,0,0,0,0|3,0,0]=4 1017 B12R1.49 CCN(C)Cc1ccc(nc1)C 269982a_106623407658_100000204670 [0,1,0,0,0,0|3,0,0]=4 1018 B12R1.49 CCN(C)Cc1ccc(nc1)C 34a_106623407658_100000210202 [0,1,0,0,0,0|3,0,0]=4 1019 B12R1.49 CCN(C)Cc1ccc(nc1)Cl 2230a_100000026953_100000210202 [0,1,0,0,0,0|3,0,0]=4 1020 B12R1.49 CCN(C)Cc1ccc(nc1)Cl 2230a_100000225621_100000735431 [0,1,0,0,0,0|3,0,0]=4 1021 B12R1.49 CCN(C)Cc1ccc(nc1)Cl 269982a_100000026953_100000204670 [0,1,0,0,0,0|3,0,0]=4 1022 B12R1.49 CCN(C)Cc1ccc(nc1)Cl 269982a_100000225621_100000735431 [0,1,0,0,0,0|3,0,0]=4 1023 B12R1.49 CCN(C)Cc1ccc(nc1)Cl 34a_100000026953_100000210202 [0,1,0,0,0,0|3,0,0]=4 1024 B12R1.49 CCN(C)Cc1ccc(nc1)F 2230a_100000225621_100009820150 [0,1,0,0,0,0|3,0,0]=4 1025 B12R1.49 CCN(C)Cc1ccc(nc1)F 269982a_100000225621_100009820150 [0,1,0,0,0,0|3,0,0]=4 1026 B12R1.49 CCN([13CH3])Cc1ccc(cc1)Br 2230a_100000187385_200025704644 [0,1,0,0,0,0|2,0,0]=3 1027 B12R1.49 CCN([13CH3])Cc1ccc(cc1)Br 269982a_100000187385_200025704644 [0,1,0,0,0,0|2,0,0]=3 1028 B12R1.49 CCN([13CH3])Cc1ccc(cc1)C 2230a_100000180869_200025704644 [0,1,0,0,0,0|2,0,0]=3 1029 B12R1.49 CCN([13CH3])Cc1ccc(cc1)C 269982a_100000180869_200025704644 [0,1,0,0,0,0|2,0,0]=3 1030 B12R1.49 CCN([13CH3])Cc1ccc(cc1)Cl 2230a_100000180830_200025704644 [0,1,0,0,0,0|2,0,0]=3 1031 B12R1.49 CCN([13CH3])Cc1ccc(cc1)Cl 269982a_100000180830_200025704644 [0,1,0,0,0,0|2,0,0]=3 1032 B12R1.49 CCN([13CH3])Cc1ccc(cc1)F 2230a_100015183324_200025704644 [0,1,0,0,0,0|2,0,0]=3 1033 B12R1.49 CCN([13CH3])Cc1ccc(cc1)F 269982a_100015183324_200025704644 [0,1,0,0,0,0|2,0,0]=3 1034 B12R1.49 CCN([13CH3])Cc1ccc(cc1)F 34a_100015183324_200025704644 [0,1,0,0,0,0|2,0,0]=3 1035 B12R1.49 CCN([13CH3])Cc1ccc(cc1)O 269982a_100000748449_200025704644 [0,1,0,0,0,0|2,0,0]=3 1036 B12R1.49 CN(CF)Cc1ccc(cc1)Br 269982a_100000180866_100015361967 [0,1,0,0,0,0|3,0,0]=4 1037 B12R1.49 CN(CF)Cc1ccc(cc1)Cl 269982a_100000184517_100015361967 [0,1,0,0,0,0|3,0,0]=4 1038 B12R1.49 CN(CF)Cc1ccc(cc1)Cl 34a_100000184517_100015361967 [0,1,0,0,0,0|3,0,0]=4 1039 B12R1.49 CN(CF)Cc1ccc(cc1)F 269982a_100000184576_100015361967 [0,1,0,0,0,0|3,0,0]=4 1040 B12R1.49 CN(CF)Cc1ccc(cc1)F 34a_100000184576_100015361967 [0,1,0,0,0,0|3,0,0]=4 1041 B12R1.49 CN(CF)Cc1ccc(cc1)O 269982a_100000207500_100015361967 [0,1,0,0,0,0|3,0,0]=4 1042 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 11a_106832991635_100000198978 [0,1,0,0,0,0|1,0,1]=3 1043 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 240690a_100102657272_100000198978 [0,1,0,0,0,0|1,0,1]=3 1044 B12R1.49 CNC(=O)Cc1ccc(cc1)Br 527a_100102657272_100000198978 [0,1,0,0,0,0|1,0,1]=3 1045 B12R1.49 CNC(=O)Cc1ccc(cc1)C 11a_106832991635_100000212244 [0,1,0,0,0,0|1,0,1]=3 1046 B12R1.49 CNC(=O)Cc1ccc(cc1)C 240690a_100102657272_100000212244 [0,1,0,0,0,0|1,0,1]=3 1047 B12R1.49 CNC(=O)Cc1ccc(cc1)C 527a_100102657272_100000212244 [0,1,0,0,0,0|1,0,1]=3 1048 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 11a_106832991635_100000211027 [0,1,0,0,0,0|1,0,1]=3 1049 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 240690a_100102657272_100000211027 [0,1,0,0,0,0|1,0,1]=3 1050 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl 527a_100102657272_100000211027 [0,1,0,0,0,0|1,0,1]=3 1051 B12R1.49 CNC(=O)Cc1ccc(cc1)F 11a_106832991635_100000210951 [0,1,0,0,0,0|1,0,1]=3 1052 B12R1.49 CNC(=O)Cc1ccc(cc1)F 1626a_100102657272_100000210951 [0,1,0,0,0,0|1,0,1]=3 1053 B12R1.49 CNC(=O)Cc1ccc(cc1)F 240690a_100102657272_100000210951 [0,1,0,0,0,0|1,0,1]=3 1054 B12R1.49 CNC(=O)Cc1ccc(cc1)F 527a_100102657272_100000210951 [0,1,0,0,0,0|1,0,1]=3 1055 B12R1.49 CNC(=O)Cc1ccc(cc1)I 11a_106832991635_100000688869 [0,1,0,0,0,0|1,0,1]=3 1056 B12R1.49 CNC(=O)Cc1ccc(cc1)I 1626a_100102657272_100000688869 [0,1,0,0,0,0|1,0,1]=3 1057 B12R1.49 CNC(=O)Cc1ccc(cc1)I 240690a_100102657272_100000688869 [0,1,0,0,0,0|1,0,1]=3 1058 B12R1.49 CNC(=O)Cc1ccc(cc1)I 527a_100102657272_100000688869 [0,1,0,0,0,0|1,0,1]=3 1059 B12R1.49 CNC(=O)Cc1ccc(cc1)O 1626a_100102657272_100000198540 [0,1,0,0,0,0|1,0,1]=3 1060 B12R1.49 CNC(=O)Cc1ccc(cc1)O 240690a_100102657272_100000198540 [0,1,0,0,0,0|1,0,1]=3 1061 B12R1.49 CNC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000155101 [0,1,0,0,0,0|1,0,1]=3 1062 B12R1.49 CNC(=O)Cc1ccc(cc1)O 527a_100102657272_100000198540 [0,1,0,0,0,0|1,0,1]=3 1063 B12R1.49 CNC(=O)Cc1ccc(cn1)Br 11a_106832991635_100020629044 [0,1,0,0,0,0|2,0,1]=4 1064 B12R1.49 CNC(=O)Cc1ccc(cn1)Br 240690a_100102657272_100020629044 [0,1,0,0,0,0|2,0,1]=4 1065 B12R1.49 CNC(=O)Cc1ccc(cn1)C 11a_106832991635_100025705728 [0,1,0,0,0,0|2,0,1]=4 1066 B12R1.49 CNC(=O)Cc1ccc(cn1)C 1626a_100102657272_100025705728 [0,1,0,0,0,0|2,0,1]=4 1067 B12R1.49 CNC(=O)Cc1ccc(cn1)C 240690a_100102657272_100025705728 [0,1,0,0,0,0|2,0,1]=4 1068 B12R1.49 CNC(=O)Cc1ccc(cn1)Cl 11a_106832991635_100000728320 [0,1,0,0,0,0|2,0,1]=4 1069 B12R1.49 CNC(=O)Cc1ccc(cn1)Cl 1626a_100102657272_100000728320 [0,1,0,0,0,0|2,0,1]=4 1070 B12R1.49 CNC(=O)Cc1ccc(cn1)Cl 240690a_100102657272_100000728320 [0,1,0,0,0,0|2,0,1]=4 1071 B12R1.49 CNC(=O)Cc1ccc(cn1)Cl 527a_100102657272_100000728320 [0,1,0,0,0,0|2,0,1]=4 1072 B12R1.49 CNC(=O)Cc1ccc(nc1)Br 11a_106832991635_100010067268 [0,1,0,0,0,0|2,0,1]=4 1073 B12R1.49 CNC(=O)Cc1ccc(nc1)Br 240690a_100102657272_100010067268 [0,1,0,0,0,0|2,0,1]=4 1074 B12R1.49 CNC(=O)Cc1ccc(nc1)Br 527a_100102657272_100010067268 [0,1,0,0,0,0|2,0,1]=4 1075 B12R1.49 CNC(=O)Cc1ccc(nc1)C 11a_106832991635_100000740413 [0,1,0,0,0,0|2,0,1]=4 1076 B12R1.49 CNC(=O)Cc1ccc(nc1)C 1626a_100102657272_100000740413 [0,1,0,0,0,0|2,0,1]=4 1077 B12R1.49 CNC(=O)Cc1ccc(nc1)C 240690a_100102657272_100000740413 [0,1,0,0,0,0|2,0,1]=4 1078 B12R1.49 CNC(=O)Cc1ccc(nc1)C 527a_100102657272_100000740413 [0,1,0,0,0,0|2,0,1]=4 1079 B12R1.49 CNC(=O)Cc1ccc(nc1)Cl 11a_106832991635_100000061944 [0,1,0,0,0,0|2,0,1]=4 1080 B12R1.49 CNC(=O)Cc1ccc(nc1)Cl 1626a_100102657272_100000061944 [0,1,0,0,0,0|2,0,1]=4 1081 B12R1.49 CNC(=O)Cc1ccc(nc1)Cl 240690a_100102657272_100000061944 [0,1,0,0,0,0|2,0,1]=4 1082 B12R1.49 CNC(=O)Cc1ccc(nc1)Cl 527a_100102657272_100000061944 [0,1,0,0,0,0|2,0,1]=4 1083 B12R1.49 CNC(=O)Cn1ccc(=O)cc1 11a_106832991635_200000238563 [0,1,0,0,0,0|2,0,1]=4 1084 B12R1.49 CNC(=O)Cn1ccc(=O)cc1 1626a_100102657272_200000238563 [0,1,0,0,0,0|2,0,1]=4 1085 B12R1.49 CNC(=O)Cn1ccc(=O)cc1 240690a_100102657272_200000238563 [0,1,0,0,0,0|2,0,1]=4 1086 B12R1.49 CNC(=O)Cn1ccc(=O)cc1 527a_100102657272_200000238563 [0,1,0,0,0,0|2,0,1]=4 1087 B12R1.49 CNC(=O)Nc1ccc(cc1)Br 2430a_100000210018_100102657272 [0,1,0,0,0,0|2,0,1]=4 1088 B12R1.49 CNC(=O)Nc1ccc(cc1)C 2430a_100000124888_100102657272 [0,1,0,0,0,0|2,0,1]=4 1089 B12R1.49 CNC(=O)Nc1ccc(cc1)Cl 2430a_100000210052_100102657272 [0,1,0,0,0,0|2,0,1]=4 1090 B12R1.49 CNC(=O)Nc1ccc(cc1)F 2430a_100000185862_100102657272 [0,1,0,0,0,0|2,0,1]=4 1091 B12R1.49 CNC(=O)Nc1ccc(cc1)I 2430a_100000185761_100102657272 [0,1,0,0,0,0|2,0,1]=4 1092 B12R1.49 CNC(=O)Nc1ccc(cc1)O 2430a_100000185829_100102657272 [0,1,0,0,0,0|2,0,1]=4 1093 B12R1.49 CNC(C)Cc1ccc(cc1)Br 270004a_106832991635_100000691760 [0,1,0,0,0,0|0,0,0]=1 1094 B12R1.49 CNC(C)Cc1ccc(cc1)C 270004a_106832991635_100000751045 [0,1,0,0,0,0|0,0,0]=1 1095 B12R1.49 CNC(C)Cc1ccc(cc1)Cl 270004a_106832991635_100000747806 [0,1,0,0,0,0|0,0,0]=1 1096 B12R1.49 CNC(C)Cc1ccc(cc1)F 270004a_106832991635_100000745281 [0,1,0,0,0,0|0,0,0]=1 1097 B12R1.49 CNC(C)Cc1ccc(cc1)O 2230a_100102634573_200000210301 [0,1,0,0,0,0|0,0,0]=1 1098 B12R1.49 CNC(C)Cc1ccc(cc1)O 270004a_106832991635_100011218180 [0,1,0,0,0,0|0,0,0]=1 1099 B12R1.49 CNC(C)Cc1ccc(cc1)O 34a_100102634573_200000210301 [0,1,0,0,0,0|0,0,0]=1 1100 B12R1.49 COC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000149743 [0,1,0,0,0,0|2,0,1]=4 1101 B12R1.49 COC(C)Cc1ccc(cc1)F 34a_100011351027_200000210301 [0,1,0,0,0,0|1,0,0]=2 1102 B12R1.49 COC(C)Cc1ccc(cc1)F 7a_100011351027_200000210301 [0,1,0,0,0,0|1,0,0]=2 1103 B12R1.49 COC(C)Sc1cc[n+](cc1)[O-] 62a_100009879195_100000039755 [0,1,0,0,0,0|3,0,0]=4 1104 B12R1.49 COC(C)Sc1ccc(=O)[nH]c1 62a_100000212171_100009879195 [0,1,0,0,0,0|3,0,0]=4 1105 B12R1.49 COC(C)Sc1ccc(=O)[nH]c1 62a_100009879195_100000212171 [0,1,0,0,0,0|3,0,0]=4 1106 B12R1.49 COC(C)Sc1ccc(cc1)Br 62a_100000752885_100009879195 [0,1,0,0,0,0|2,0,0]=3 1107 B12R1.49 COC(C)Sc1ccc(cc1)Br 62a_100009879195_100000752885 [0,1,0,0,0,0|2,0,0]=3 1108 B12R1.49 COC(C)Sc1ccc(cc1)C 62a_100000186775_100009879195 [0,1,0,0,0,0|2,0,0]=3 1109 B12R1.49 COC(C)Sc1ccc(cc1)C 62a_100009879195_100000186775 [0,1,0,0,0,0|2,0,0]=3 1110 B12R1.49 COC(C)Sc1ccc(cc1)Cl 62a_100000755918_100009879195 [0,1,0,0,0,0|2,0,0]=3 1111 B12R1.49 COC(C)Sc1ccc(cc1)Cl 62a_100009879195_100000755918 [0,1,0,0,0,0|2,0,0]=3 1112 B12R1.49 COC(C)Sc1ccc(cc1)F 62a_100000211213_100009879195 [0,1,0,0,0,0|2,0,0]=3 1113 B12R1.49 COC(C)Sc1ccc(cc1)F 62a_100009879195_100000211213 [0,1,0,0,0,0|2,0,0]=3 1114 B12R1.49 COC(C)Sc1ccc(cc1)N 62a_100000185761_100009879195 [0,1,0,0,0,0|2,0,0]=3 1115 B12R1.49 COC(C)Sc1ccc(cc1)N 62a_100009879195_100000185761 [0,1,0,0,0,0|2,0,0]=3 1116 B12R1.49 COC(C)Sc1ccc(cc1)O 62a_100009879195_100000185759 [0,1,0,0,0,0|2,0,0]=3 1117 B12R1.49 COC(C)Sc1ccc(cn1)Br 62a_100000686858_100009879195 [0,1,0,0,0,0|3,0,0]=4 1118 B12R1.49 COC(C)Sc1ccc(cn1)Br 62a_100009879195_100000686858 [0,1,0,0,0,0|3,0,0]=4 1119 B12R1.49 COC(C)Sc1ccc(cn1)C 62a_100009879195_100000754016 [0,1,0,0,0,0|3,0,0]=4 1120 B12R1.49 COC(C)Sc1ccc(cn1)C 62a_100011192072_100009879195 [0,1,0,0,0,0|3,0,0]=4 1121 B12R1.49 COC(C)Sc1ccc(cn1)Cl 62a_100009879195_100011356976 [0,1,0,0,0,0|3,0,0]=4 1122 B12R1.49 COC(C)Sc1ccc(cn1)Cl 62a_100011356976_100009879195 [0,1,0,0,0,0|3,0,0]=4 1123 B12R1.49 COC(C)Sc1ccc(cn1)F 62a_100000744514_100009879195 [0,1,0,0,0,0|3,0,0]=4 1124 B12R1.49 COC(C)Sc1ccc(cn1)F 62a_100009879195_100000744514 [0,1,0,0,0,0|3,0,0]=4 1125 B12R1.49 COC(C)Sc1ccc(cn1)N 62a_100000737798_100009879195 [0,1,0,0,0,0|3,0,0]=4 1126 B12R1.49 COC(C)Sc1ccc(cn1)N 62a_100009879195_100000737798 [0,1,0,0,0,0|3,0,0]=4 1127 B12R1.49 COC(C)Sc1ccc(cn1)O 62a_100000685995_100009879195 [0,1,0,0,0,0|3,0,0]=4 1128 B12R1.49 COC(C)Sc1ccc(cn1)O 62a_100009879195_100000744096 [0,1,0,0,0,0|3,0,0]=4 1129 B12R1.49 COC(C)Sc1ccc(nc1)Br 62a_100009814638_100009879195 [0,1,0,0,0,0|3,0,0]=4 1130 B12R1.49 COC(C)Sc1ccc(nc1)Br 62a_100009879195_100009814638 [0,1,0,0,0,0|3,0,0]=4 1131 B12R1.49 COC(C)Sc1ccc(nc1)C 62a_100000751577_100009879195 [0,1,0,0,0,0|3,0,0]=4 1132 B12R1.49 COC(C)Sc1ccc(nc1)C 62a_100009879195_100000751577 [0,1,0,0,0,0|3,0,0]=4 1133 B12R1.49 COC(C)Sc1ccc(nc1)Cl 62a_100000034144_100009879195 [0,1,0,0,0,0|3,0,0]=4 1134 B12R1.49 COC(C)Sc1ccc(nc1)Cl 62a_100009879195_100000034144 [0,1,0,0,0,0|3,0,0]=4 1135 B12R1.49 COC(C)Sc1ccc(nc1)F 62a_100000042367_100009879195 [0,1,0,0,0,0|3,0,0]=4 1136 B12R1.49 COC(C)Sc1ccc(nc1)F 62a_100009879195_100000042367 [0,1,0,0,0,0|3,0,0]=4 1137 B12R1.49 COC(C)Sc1ccc(nc1)N 62a_100000187370_100009879195 [0,1,0,0,0,0|3,0,0]=4 1138 B12R1.49 COC(C)Sc1ccc(nc1)N 62a_100009879195_100000187370 [0,1,0,0,0,0|3,0,0]=4 1139 B12R1.49 C[C@H](CO)Sc1ccc(cc1)Br 62a_100000752885_100016084084 [0,1,0,0,0,0|3,0,0]=4 1140 B12R1.49 C[C@H](CO)Sc1ccc(cc1)Br 62a_100016084084_100000752885 [0,1,0,0,0,0|3,0,0]=4 1141 B12R1.49 C[C@H](CO)Sc1ccc(cc1)Cl 62a_100000755918_100016084084 [0,1,0,0,0,0|3,0,0]=4 1142 B12R1.49 C[C@H](CO)Sc1ccc(cc1)Cl 62a_100016084084_100000755918 [0,1,0,0,0,0|3,0,0]=4 1143 B12R1.49 C[C@H](CO)Sc1ccc(cc1)F 62a_100000211213_100016084084 [0,1,0,0,0,0|3,0,0]=4 1144 B12R1.49 C[C@H](CO)Sc1ccc(cc1)F 62a_100016084084_100000211213 [0,1,0,0,0,0|3,0,0]=4 1145 B12R1.49 C[C@H](CO)Sc1ccc(cc1)N 62a_100000185761_100016084084 [0,1,0,0,0,0|3,0,0]=4 1146 B12R1.49 C[C@H](CO)Sc1ccc(cc1)N 62a_100016084084_100000185761 [0,1,0,0,0,0|3,0,0]=4 1147 B12R1.49 C[C@H](CO)Sc1ccc(cc1)O 62a_100016084084_100000185759 [0,1,0,0,0,0|3,0,0]=4 1148 B12R1.49 Cc1ccc(cc1)CN(C)CF 269982a_100000744650_100015361967 [0,1,0,0,0,0|3,0,0]=4 1149 B12R1.49 Cc1ccc(cc1)CN(C)CF 34a_100000744650_100015361967 [0,1,0,0,0,0|3,0,0]=4 1150 B12R1.49 Cc1ccc(cc1)NC(C)CO 34a_100000124888_100012180447 [0,1,0,0,0,0|3,0,0]=4 1151 B12R1.49 Cc1ccc(cc1)OC(C)C#N 7a_100000210336_100000703298 [0,1,0,0,0,0|3,0,0]=4 1152 B12R1.49 Cc1ccc(cc1)OC(C)CO 34a_100000210336_100012180447 [0,1,0,0,0,0|3,0,0]=4 1153 B12R1.49 Cc1ccc(cc1)OC(C)CO 7a_100000210336_100012180447 [0,1,0,0,0,0|3,0,0]=4 1154 B12R1.49 Cc1ccc(cc1)SC(C)C#N 62a_100000186775_100000703298 [0,1,0,0,0,0|3,0,0]=4 1155 B12R1.49 Cc1ccc(cc1)SC(C)C#N 62a_100000703298_100000186775 [0,1,0,0,0,0|3,0,0]=4 1156 B12R1.49 Cc1ccc(cc1)SC(C)CO 62a_100012180447_100000186775 [0,1,0,0,0,0|3,0,0]=4 1157 B12R1.49 Cc1ccc(cc1)S[C@H](C)CO 62a_100000186775_100016084084 [0,1,0,0,0,0|3,0,0]=4 1158 B12R1.49 Cc1ccc(cc1)S[C@H](C)CO 62a_100016084084_100000186775 [0,1,0,0,0,0|3,0,0]=4 1159 B12R1.50 C#CC(C)Nc1cccc(c1)Br 34a_100000210019_200000035995 [0,1,0,0,0,0|2,0,1]=4 1160 B12R1.50 C#CC(C)Nc1cccc(c1)C 34a_100000188690_200000035995 [0,1,0,0,0,0|2,0,1]=4 1161 B12R1.50 C#CC(C)Nc1cccc(c1)Cl 34a_100000185859_200000035995 [0,1,0,0,0,0|2,0,1]=4 1162 B12R1.50 C#CC(C)Nc1cccc(c1)F 34a_100000210047_200000035995 [0,1,0,0,0,0|2,0,1]=4 1163 B12R1.50 C#CC(C)Nc1cccc(c1)I 34a_100000211102_200000035995 [0,1,0,0,0,0|2,0,1]=4 1164 B12R1.50 C#CC(C)Nc1cccc(c1)O 34a_100000210217_200000035995 [0,1,0,0,0,0|2,0,1]=4 1165 B12R1.50 C#CC(C)Oc1cccc(c1)Br 34a_100000210342_200000035995 [0,1,0,0,0,0|2,0,1]=4 1166 B12R1.50 C#CC(C)Oc1cccc(c1)C 34a_100000210337_200000035995 [0,1,0,0,0,0|2,0,1]=4 1167 B12R1.50 C#CC(C)Oc1cccc(c1)Cl 34a_100000210295_200000035995 [0,1,0,0,0,0|2,0,1]=4 1168 B12R1.50 C#CC(C)Oc1cccc(c1)F 34a_100000210426_200000035995 [0,1,0,0,0,0|2,0,1]=4 1169 B12R1.50 C#CC(C)Oc1cccc(c1)I 34a_100000211634_200000035995 [0,1,0,0,0,0|2,0,1]=4 1170 B12R1.50 C#CC(C)Oc1cccc(c1)N 34a_100000210217_200000035995 [0,1,0,0,0,0|2,0,1]=4 1171 B12R1.50 C#CC(C)Sc1cccc(c1)Br 62a_200000035995_100000691529 [0,1,0,0,0,0|2,0,1]=4 1172 B12R1.50 C#CC(C)Sc1cccc(c1)C 62a_200000035995_100011215228 [0,1,0,0,0,0|2,0,1]=4 1173 B12R1.50 C#CC(C)Sc1cccc(c1)Cl 62a_200000035995_100000699651 [0,1,0,0,0,0|2,0,1]=4 1174 B12R1.50 C#CC(C)Sc1cccc(c1)F 62a_200000035995_100000685547 [0,1,0,0,0,0|2,0,1]=4 1175 B12R1.50 C#CC(C)Sc1cccc(c1)N 62a_200000035995_100000210019 [0,1,0,0,0,0|2,0,1]=4 1176 B12R1.50 C#CC(C)Sc1cccc(c1)O 62a_200000035995_100000211634 [0,1,0,0,0,0|2,0,1]=4 1177 B12R1.50 C#CC(C)Sc1cccc(c1)[S] 62a_200000035995_114929384022 [0,1,0,0,0,0|2,0,1]=4 1178 B12R1.50 C=CC(C)Sc1cccc(c1)Br 62a_100011215867_100000691529 [0,1,0,0,0,0|2,0,1]=4 1179 B12R1.50 C=CC(C)Sc1cccc(c1)C 62a_100011215867_100011215228 [0,1,0,0,0,0|2,0,1]=4 1180 B12R1.50 C=CC(C)Sc1cccc(c1)Cl 62a_100011215867_100000699651 [0,1,0,0,0,0|2,0,1]=4 1181 B12R1.50 C=CC(C)Sc1cccc(c1)F 62a_100011215867_100000685547 [0,1,0,0,0,0|2,0,1]=4 1182 B12R1.50 C=CC(C)Sc1cccc(c1)N 62a_100011215867_100000210019 [0,1,0,0,0,0|2,0,1]=4 1183 B12R1.50 C=CC(C)Sc1cccc(c1)O 62a_100011215867_100000211634 [0,1,0,0,0,0|2,0,1]=4 1184 B12R1.50 C=CC(C)Sc1cccc(c1)[S] 62a_100011215867_114929384022 [0,1,0,0,0,0|2,0,1]=4 1185 B12R1.50 CC(C#N)Oc1cccc(c1)Br 7a_100000210342_100000703298 [0,1,0,0,0,0|3,0,0]=4 1186 B12R1.50 CC(C#N)Oc1cccc(c1)Cl 7a_100000210295_100000703298 [0,1,0,0,0,0|3,0,0]=4 1187 B12R1.50 CC(C#N)Oc1cccc(c1)F 7a_100000210426_100000703298 [0,1,0,0,0,0|3,0,0]=4 1188 B12R1.50 CC(C#N)Oc1cccc(c1)I 7a_100000211634_100000703298 [0,1,0,0,0,0|3,0,0]=4 1189 B12R1.50 CC(C#N)Sc1cccc(c1)Br 62a_100000691529_100000703298 [0,1,0,0,0,0|3,0,0]=4 1190 B12R1.50 CC(C#N)Sc1cccc(c1)Br 62a_100000703298_100000691529 [0,1,0,0,0,0|3,0,0]=4 1191 B12R1.50 CC(C#N)Sc1cccc(c1)Cl 62a_100000699651_100000703298 [0,1,0,0,0,0|3,0,0]=4 1192 B12R1.50 CC(C#N)Sc1cccc(c1)Cl 62a_100000703298_100000699651 [0,1,0,0,0,0|3,0,0]=4 1193 B12R1.50 CC(C#N)Sc1cccc(c1)F 62a_100000685547_100000703298 [0,1,0,0,0,0|3,0,0]=4 1194 B12R1.50 CC(C#N)Sc1cccc(c1)F 62a_100000703298_100000685547 [0,1,0,0,0,0|3,0,0]=4 1195 B12R1.50 CC(C#N)Sc1cccc(c1)N 62a_100000210019_100000703298 [0,1,0,0,0,0|3,0,0]=4 1196 B12R1.50 CC(C#N)Sc1cccc(c1)N 62a_100000703298_100000210019 [0,1,0,0,0,0|3,0,0]=4 1197 B12R1.50 CC(C#N)Sc1cccc(c1)O 62a_100000703298_100000211634 [0,1,0,0,0,0|3,0,0]=4 1198 B12R1.50 CC(C#N)Sc1cccc(c1)[S] 62a_100000703298_114929384022 [0,1,0,0,0,0|3,0,0]=4 1199 B12R1.50 CC(C#N)Sc1cccc(c1)[S] 62a_114929384022_100000703298 [0,1,0,0,0,0|3,0,0]=4 1200 B12R1.50 CC(CO)Nc1cccc(c1)Br 34a_100000210019_100012180447 [0,1,0,0,0,0|3,0,0]=4 1201 B12R1.50 CC(CO)Nc1cccc(c1)Cl 34a_100000185859_100012180447 [0,1,0,0,0,0|3,0,0]=4 1202 B12R1.50 CC(CO)Nc1cccc(c1)F 34a_100000210047_100012180447 [0,1,0,0,0,0|3,0,0]=4 1203 B12R1.50 CC(CO)Nc1cccc(c1)I 34a_100000211102_100012180447 [0,1,0,0,0,0|3,0,0]=4 1204 B12R1.50 CC(CO)Nc1cccc(c1)O 34a_100000210217_100012180447 [0,1,0,0,0,0|3,0,0]=4 1205 B12R1.50 CC(CO)Oc1cccc(c1)Br 34a_100000210342_100012180447 [0,1,0,0,0,0|3,0,0]=4 1206 B12R1.50 CC(CO)Oc1cccc(c1)Br 7a_100000210342_100012180447 [0,1,0,0,0,0|3,0,0]=4 1207 B12R1.50 CC(CO)Oc1cccc(c1)Cl 34a_100000210295_100012180447 [0,1,0,0,0,0|3,0,0]=4 1208 B12R1.50 CC(CO)Oc1cccc(c1)Cl 7a_100000210295_100012180447 [0,1,0,0,0,0|3,0,0]=4 1209 B12R1.50 CC(CO)Oc1cccc(c1)F 34a_100000210426_100012180447 [0,1,0,0,0,0|3,0,0]=4 1210 B12R1.50 CC(CO)Oc1cccc(c1)F 7a_100000210426_100012180447 [0,1,0,0,0,0|3,0,0]=4 1211 B12R1.50 CC(CO)Oc1cccc(c1)I 34a_100000211634_100012180447 [0,1,0,0,0,0|3,0,0]=4 1212 B12R1.50 CC(CO)Oc1cccc(c1)I 7a_100000211634_100012180447 [0,1,0,0,0,0|3,0,0]=4 1213 B12R1.50 CC(CO)Oc1cccc(c1)N 34a_100000210217_100012180447 [0,1,0,0,0,0|3,0,0]=4 1214 B12R1.50 CC(CO)Sc1cccc(c1)Br 62a_100012180447_100000691529 [0,1,0,0,0,0|3,0,0]=4 1215 B12R1.50 CC(CO)Sc1cccc(c1)Cl 62a_100012180447_100000699651 [0,1,0,0,0,0|3,0,0]=4 1216 B12R1.50 CC(CO)Sc1cccc(c1)F 62a_100012180447_100000685547 [0,1,0,0,0,0|3,0,0]=4 1217 B12R1.50 CC(CO)Sc1cccc(c1)N 62a_100012180447_100000210019 [0,1,0,0,0,0|3,0,0]=4 1218 B12R1.50 CC(CO)Sc1cccc(c1)O 62a_100012180447_100000211634 [0,1,0,0,0,0|3,0,0]=4 1219 B12R1.50 CC(CO)Sc1cccc(c1)[S] 62a_100012180447_114929384022 [0,1,0,0,0,0|3,0,0]=4 1220 B12R1.50 CCC(=O)Cc1cccc(c1)Br 1458a_100000210414_100000211773 [0,1,0,0,0,0|2,0,1]=4 1221 B12R1.50 CCC(=O)Cc1cccc(c1)Br 1458a_100000747190_100000210202 [0,1,0,0,0,0|2,0,1]=4 1222 B12R1.50 CCC(=O)Cc1cccc(c1)C 1458a_100000210414_100000211840 [0,1,0,0,0,0|2,0,1]=4 1223 B12R1.50 CCC(=O)Cc1cccc(c1)C 1458a_100011206899_100000210202 [0,1,0,0,0,0|2,0,1]=4 1224 B12R1.50 CCC(=O)Cc1cccc(c1)Cl 1458a_100000210414_100000181238 [0,1,0,0,0,0|2,0,1]=4 1225 B12R1.50 CCC(=O)Cc1cccc(c1)Cl 1458a_100000749307_100000210202 [0,1,0,0,0,0|2,0,1]=4 1226 B12R1.50 CCC(=O)Cc1cccc(c1)F 1458a_100000210414_100000230114 [0,1,0,0,0,0|2,0,1]=4 1227 B12R1.50 CCC(=O)Cc1cccc(c1)F 1458a_100000211661_100000210202 [0,1,0,0,0,0|2,0,1]=4 1228 B12R1.50 CCC(=O)Cc1cccc(c1)I 1458a_100000210414_100011218688 [0,1,0,0,0,0|2,0,1]=4 1229 B12R1.50 CCC(=O)Cc1cccc(c1)I 1458a_100000238430_100000210202 [0,1,0,0,0,0|2,0,1]=4 1230 B12R1.50 CCC(=O)Cc1cccc(c1)O 1458a_100000210414_100011660834 [0,1,0,0,0,0|2,0,1]=4 1231 B12R1.50 CCC(=O)Cc1cccc(c1)O 1458a_100000745134_100000210202 [0,1,0,0,0,0|2,0,1]=4 1232 B12R1.50 CCC(C)Nc1cccc(c1)Br 34a_100000210019_100011215416 [0,1,0,0,0,0|2,0,0]=3 1233 B12R1.50 CCC(C)Nc1cccc(c1)C 2230a_100000188690_100000758301 [0,1,0,0,0,0|2,0,0]=3 1234 B12R1.50 CCC(C)Nc1cccc(c1)C 34a_100000188690_100011215416 [0,1,0,0,0,0|2,0,0]=3 1235 B12R1.50 CCC(C)Nc1cccc(c1)Cl 34a_100000185859_100011215416 [0,1,0,0,0,0|2,0,0]=3 1236 B12R1.50 CCC(C)Nc1cccc(c1)F 34a_100000210047_100011215416 [0,1,0,0,0,0|2,0,0]=3 1237 B12R1.50 CCC(C)Nc1cccc(c1)I 34a_100000211102_100011215416 [0,1,0,0,0,0|2,0,0]=3 1238 B12R1.50 CCC(C)Nc1cccc(c1)O 34a_100000210217_100011215416 [0,1,0,0,0,0|2,0,0]=3 1239 B12R1.50 CCC(C)Oc1cc[nH]c(=O)c1 34a_100000032262_100011215416 [0,1,0,0,0,0|3,0,0]=4 1240 B12R1.50 CCC(C)Oc1ccc[n+](c1)[O-] 34a_100000039713_100011215416 [0,1,0,0,0,0|3,0,0]=4 1241 B12R1.50 CCC(C)Oc1ccc[n+](c1)[O-] 7a_100000039713_100000758301 [0,1,0,0,0,0|3,0,0]=4 1242 B12R1.50 CCC(C)Oc1cccc(=O)[nH]1 34a_100000033347_100011215416 [0,1,0,0,0,0|3,0,0]=4 1243 B12R1.50 CCC(C)Oc1cccc(c1)Br 34a_100000210342_100011215416 [0,1,0,0,0,0|2,0,0]=3 1244 B12R1.50 CCC(C)Oc1cccc(c1)Br 7a_100000210342_100000758301 [0,1,0,0,0,0|2,0,0]=3 1245 B12R1.50 CCC(C)Oc1cccc(c1)C 34a_100000210337_100011215416 [0,1,0,0,0,0|2,0,0]=3 1246 B12R1.50 CCC(C)Oc1cccc(c1)C 7a_100000210337_100000758301 [0,1,0,0,0,0|2,0,0]=3 1247 B12R1.50 CCC(C)Oc1cccc(c1)Cl 34a_100000210295_100011215416 [0,1,0,0,0,0|2,0,0]=3 1248 B12R1.50 CCC(C)Oc1cccc(c1)Cl 7a_100000210295_100000758301 [0,1,0,0,0,0|2,0,0]=3 1249 B12R1.50 CCC(C)Oc1cccc(c1)F 34a_100000210426_100011215416 [0,1,0,0,0,0|2,0,0]=3 1250 B12R1.50 CCC(C)Oc1cccc(c1)F 7a_100000210426_100000758301 [0,1,0,0,0,0|2,0,0]=3 1251 B12R1.50 CCC(C)Oc1cccc(c1)I 34a_100000211634_100011215416 [0,1,0,0,0,0|2,0,0]=3 1252 B12R1.50 CCC(C)Oc1cccc(c1)I 7a_100000211634_100000758301 [0,1,0,0,0,0|2,0,0]=3 1253 B12R1.50 CCC(C)Oc1cccc(c1)N 34a_100000210217_100011215416 [0,1,0,0,0,0|2,0,0]=3 1254 B12R1.50 CCC(C)Oc1cccc(c1)O 271570a_203496583355_200011236628 [0,1,0,0,0,0|2,0,0]=3 1255 B12R1.50 CCC(C)Oc1cccc(n1)F 34a_100011432558_100011215416 [0,1,0,0,0,0|3,0,0]=4 1256 B12R1.50 CCC(C)Oc1ccnc(c1)C 34a_100000688365_100011215416 [0,1,0,0,0,0|3,0,0]=4 1257 B12R1.50 CCC(C)Oc1ccnc(c1)Cl 34a_100000762945_100011215416 [0,1,0,0,0,0|3,0,0]=4 1258 B12R1.50 CCC(C)Oc1ccnc(c1)F 34a_100000732698_100011215416 [0,1,0,0,0,0|3,0,0]=4 1259 B12R1.50 CCC(C)Oc1ccnc(c1)N 34a_100011834064_100011215416 [0,1,0,0,0,0|3,0,0]=4 1260 B12R1.50 CCC(C)Oc1cncc(c1)Br 34a_100000754920_100011215416 [0,1,0,0,0,0|3,0,0]=4 1261 B12R1.50 CCC(C)Oc1cncc(c1)Br 7a_100000754920_100000758301 [0,1,0,0,0,0|3,0,0]=4 1262 B12R1.50 CCC(C)Oc1cncc(c1)C 34a_100011830280_100011215416 [0,1,0,0,0,0|3,0,0]=4 1263 B12R1.50 CCC(C)Oc1cncc(c1)C 7a_100011830280_100000758301 [0,1,0,0,0,0|3,0,0]=4 1264 B12R1.50 CCC(C)Oc1cncc(c1)Cl 7a_100000032511_100000758301 [0,1,0,0,0,0|3,0,0]=4 1265 B12R1.50 CCC(C)Oc1cncc(c1)F 34a_100011830296_100011215416 [0,1,0,0,0,0|3,0,0]=4 1266 B12R1.50 CCC(C)Oc1cncc(c1)F 7a_100011830296_100000758301 [0,1,0,0,0,0|3,0,0]=4 1267 B12R1.50 CCC(C)Oc1cncc(c1)N 34a_100011997051_100011215416 [0,1,0,0,0,0|3,0,0]=4 1268 B12R1.50 CCC(C)Sc1cc(=O)cc[nH]1 62a_100009817434_100000758301 [0,1,0,0,0,0|3,0,0]=4 1269 B12R1.50 CCC(C)Sc1cc(ccn1)C 62a_100000750283_100000758301 [0,1,0,0,0,0|3,0,0]=4 1270 B12R1.50 CCC(C)Sc1cc(ccn1)C 62a_100000758301_100000750283 [0,1,0,0,0,0|3,0,0]=4 1271 B12R1.50 CCC(C)Sc1cc(ccn1)Cl 62a_100000758301_100010167805 [0,1,0,0,0,0|3,0,0]=4 1272 B12R1.50 CCC(C)Sc1cc(ccn1)Cl 62a_100010167805_100000758301 [0,1,0,0,0,0|3,0,0]=4 1273 B12R1.50 CCC(C)Sc1cc(ccn1)F 62a_100000758301_100000764206 [0,1,0,0,0,0|3,0,0]=4 1274 B12R1.50 CCC(C)Sc1cc(ccn1)F 62a_100000764206_100000758301 [0,1,0,0,0,0|3,0,0]=4 1275 B12R1.50 CCC(C)Sc1cc(ccn1)N 62a_100000758301_100009814236 [0,1,0,0,0,0|3,0,0]=4 1276 B12R1.50 CCC(C)Sc1cc(ccn1)N 62a_100009814236_100000758301 [0,1,0,0,0,0|3,0,0]=4 1277 B12R1.50 CCC(C)Sc1cc(ccn1)O 62a_100000758301_100000762945 [0,1,0,0,0,0|3,0,0]=4 1278 B12R1.50 CCC(C)Sc1cc[nH]c(=O)c1 62a_100000758301_100009816521 [0,1,0,0,0,0|3,0,0]=4 1279 B12R1.50 CCC(C)Sc1cc[nH]c(=O)c1 62a_100009816521_100000758301 [0,1,0,0,0,0|3,0,0]=4 1280 B12R1.50 CCC(C)Sc1ccc[n+](c1)C 62a_100000758301_100009996589 [0,1,0,0,0,0|3,0,0]=4 1281 B12R1.50 CCC(C)Sc1ccc[n+](c1)C 62a_100009996589_100000758301 [0,1,0,0,0,0|3,0,0]=4 1282 B12R1.50 CCC(C)Sc1ccc[n+](c1)[O-] 62a_100000758301_100009815978 [0,1,0,0,0,0|3,0,0]=4 1283 B12R1.50 CCC(C)Sc1cccc(=O)[nH]1 62a_100000758301_100000752884 [0,1,0,0,0,0|3,0,0]=4 1284 B12R1.50 CCC(C)Sc1cccc(c1)Br 62a_100000691529_100000758301 [0,1,0,0,0,0|2,0,0]=3 1285 B12R1.50 CCC(C)Sc1cccc(c1)Br 62a_100000758301_100000691529 [0,1,0,0,0,0|2,0,0]=3 1286 B12R1.50 CCC(C)Sc1cccc(c1)C 62a_100000758301_100011215228 [0,1,0,0,0,0|2,0,0]=3 1287 B12R1.50 CCC(C)Sc1cccc(c1)C 62a_100011215228_100000758301 [0,1,0,0,0,0|2,0,0]=3 1288 B12R1.50 CCC(C)Sc1cccc(c1)Cl 62a_100000699651_100000758301 [0,1,0,0,0,0|2,0,0]=3 1289 B12R1.50 CCC(C)Sc1cccc(c1)Cl 62a_100000758301_100000699651 [0,1,0,0,0,0|2,0,0]=3 1290 B12R1.50 CCC(C)Sc1cccc(c1)F 62a_100000685547_100000758301 [0,1,0,0,0,0|2,0,0]=3 1291 B12R1.50 CCC(C)Sc1cccc(c1)F 62a_100000758301_100000685547 [0,1,0,0,0,0|2,0,0]=3 1292 B12R1.50 CCC(C)Sc1cccc(c1)N 62a_100000210019_100000758301 [0,1,0,0,0,0|2,0,0]=3 1293 B12R1.50 CCC(C)Sc1cccc(c1)N 62a_100000758301_100000210019 [0,1,0,0,0,0|2,0,0]=3 1294 B12R1.50 CCC(C)Sc1cccc(c1)O 62a_100000758301_100000211634 [0,1,0,0,0,0|2,0,0]=3 1295 B12R1.50 CCC(C)Sc1cccc(c1)[S] 62a_100000758301_114929384022 [0,1,0,0,0,0|2,0,0]=3 1296 B12R1.50 CCC(C)Sc1cccc(c1)[S] 62a_114929384022_100000758301 [0,1,0,0,0,0|2,0,0]=3 1297 B12R1.50 CCC(C)Sc1cccc(n1)Br 62a_100000684672_100000758301 [0,1,0,0,0,0|3,0,0]=4 1298 B12R1.50 CCC(C)Sc1cccc(n1)Br 62a_100000758301_100000684672 [0,1,0,0,0,0|3,0,0]=4 1299 B12R1.50 CCC(C)Sc1cccc(n1)C 62a_100000742759_100000758301 [0,1,0,0,0,0|3,0,0]=4 1300 B12R1.50 CCC(C)Sc1cccc(n1)C 62a_100000758301_100000742759 [0,1,0,0,0,0|3,0,0]=4 1301 B12R1.50 CCC(C)Sc1cccc(n1)Cl 62a_100000051397_100000758301 [0,1,0,0,0,0|3,0,0]=4 1302 B12R1.50 CCC(C)Sc1cccc(n1)Cl 62a_100000758301_100000051397 [0,1,0,0,0,0|3,0,0]=4 1303 B12R1.50 CCC(C)Sc1cccc(n1)F 62a_100000758301_100009815982 [0,1,0,0,0,0|3,0,0]=4 1304 B12R1.50 CCC(C)Sc1cccc(n1)F 62a_100009815982_100000758301 [0,1,0,0,0,0|3,0,0]=4 1305 B12R1.50 CCC(C)Sc1cccc(n1)N 62a_100000740741_100000758301 [0,1,0,0,0,0|3,0,0]=4 1306 B12R1.50 CCC(C)Sc1cccc(n1)N 62a_100000758301_100000740741 [0,1,0,0,0,0|3,0,0]=4 1307 B12R1.50 CCC(C)Sc1ccnc(c1)Br 62a_100000758301_100009814637 [0,1,0,0,0,0|3,0,0]=4 1308 B12R1.50 CCC(C)Sc1ccnc(c1)Br 62a_100009814637_100000758301 [0,1,0,0,0,0|3,0,0]=4 1309 B12R1.50 CCC(C)Sc1ccnc(c1)C 62a_100000758301_100000758586 [0,1,0,0,0,0|3,0,0]=4 1310 B12R1.50 CCC(C)Sc1ccnc(c1)C 62a_100000758586_100000758301 [0,1,0,0,0,0|3,0,0]=4 1311 B12R1.50 CCC(C)Sc1ccnc(c1)Cl 62a_100000035001_100000758301 [0,1,0,0,0,0|3,0,0]=4 1312 B12R1.50 CCC(C)Sc1ccnc(c1)Cl 62a_100000758301_100000035001 [0,1,0,0,0,0|3,0,0]=4 1313 B12R1.50 CCC(C)Sc1ccnc(c1)F 62a_100000758301_100009816116 [0,1,0,0,0,0|3,0,0]=4 1314 B12R1.50 CCC(C)Sc1ccnc(c1)F 62a_100009816116_100000758301 [0,1,0,0,0,0|3,0,0]=4 1315 B12R1.50 CCC(C)Sc1ccnc(c1)N 62a_100000049665_100000758301 [0,1,0,0,0,0|3,0,0]=4 1316 B12R1.50 CCC(C)Sc1ccnc(c1)N 62a_100000758301_100000049665 [0,1,0,0,0,0|3,0,0]=4 1317 B12R1.50 CCC(C)Sc1cncc(c1)Br 62a_100000728054_100000758301 [0,1,0,0,0,0|3,0,0]=4 1318 B12R1.50 CCC(C)Sc1cncc(c1)Br 62a_100000758301_100000728054 [0,1,0,0,0,0|3,0,0]=4 1319 B12R1.50 CCC(C)Sc1cncc(c1)C 62a_100000758301_100000760492 [0,1,0,0,0,0|3,0,0]=4 1320 B12R1.50 CCC(C)Sc1cncc(c1)C 62a_100000760492_100000758301 [0,1,0,0,0,0|3,0,0]=4 1321 B12R1.50 CCC(C)Sc1cncc(c1)Cl 62a_100000049639_100000758301 [0,1,0,0,0,0|3,0,0]=4 1322 B12R1.50 CCC(C)Sc1cncc(c1)Cl 62a_100000758301_100000049639 [0,1,0,0,0,0|3,0,0]=4 1323 B12R1.50 CCC(C)Sc1cncc(c1)F 62a_100000744099_100000758301 [0,1,0,0,0,0|3,0,0]=4 1324 B12R1.50 CCC(C)Sc1cncc(c1)F 62a_100000758301_100000744099 [0,1,0,0,0,0|3,0,0]=4 1325 B12R1.50 CCC(C)Sc1cncc(c1)N 62a_100000687067_100000758301 [0,1,0,0,0,0|3,0,0]=4 1326 B12R1.50 CCC(C)Sc1cncc(c1)N 62a_100000758301_100000687067 [0,1,0,0,0,0|3,0,0]=4 1327 B12R1.50 CCC(C)Sc1cncc(c1)O 62a_100000754920_100000758301 [0,1,0,0,0,0|3,0,0]=4 1328 B12R1.50 CCC(C)Sc1cncc(c1)O 62a_100000758301_100000754920 [0,1,0,0,0,0|3,0,0]=4 1329 B12R1.50 CCN(C)Cc1cc(ccn1)Br 2230a_100000225621_100010173614 [0,1,0,0,0,0|3,0,0]=4 1330 B12R1.50 CCN(C)Cc1cc(ccn1)Br 269982a_100000225621_100010173614 [0,1,0,0,0,0|3,0,0]=4 1331 B12R1.50 CCN(C)Cc1cc(ccn1)C 2230a_100000225621_100000718516 [0,1,0,0,0,0|3,0,0]=4 1332 B12R1.50 CCN(C)Cc1cc(ccn1)C 2230a_106354213154_100000210202 [0,1,0,0,0,0|3,0,0]=4 1333 B12R1.50 CCN(C)Cc1cc(ccn1)C 269982a_100000225621_100000718516 [0,1,0,0,0,0|3,0,0]=4 1334 B12R1.50 CCN(C)Cc1cc(ccn1)C 269982a_106354213154_100000204670 [0,1,0,0,0,0|3,0,0]=4 1335 B12R1.50 CCN(C)Cc1cc(ccn1)Cl 2230a_100000225621_100016988179 [0,1,0,0,0,0|3,0,0]=4 1336 B12R1.50 CCN(C)Cc1cc(ccn1)Cl 2230a_100102954512_100000210202 [0,1,0,0,0,0|3,0,0]=4 1337 B12R1.50 CCN(C)Cc1cc(ccn1)Cl 269982a_100000225621_100016988179 [0,1,0,0,0,0|3,0,0]=4 1338 B12R1.50 CCN(C)Cc1cc(ccn1)Cl 269982a_100102954512_100000204670 [0,1,0,0,0,0|3,0,0]=4 1339 B12R1.50 CCN(C)Cc1cccc(c1)Br 2230a_100000187426_200000210301 [0,1,0,0,0,0|2,0,0]=3 1340 B12R1.50 CCN(C)Cc1cccc(c1)Br 2230a_100000187585_100000210202 [0,1,0,0,0,0|2,0,0]=3 1341 B12R1.50 CCN(C)Cc1cccc(c1)Br 2230a_100000225621_100000698116 [0,1,0,0,0,0|2,0,0]=3 1342 B12R1.50 CCN(C)Cc1cccc(c1)Br 269982a_100000187426_200000210301 [0,1,0,0,0,0|2,0,0]=3 1343 B12R1.50 CCN(C)Cc1cccc(c1)Br 269982a_100000187585_100000204670 [0,1,0,0,0,0|2,0,0]=3 1344 B12R1.50 CCN(C)Cc1cccc(c1)Br 269982a_100000225621_100000211773 [0,1,0,0,0,0|2,0,0]=3 1345 B12R1.50 CCN(C)Cc1cccc(c1)Br 26a_100000225621_100000210342 [0,1,0,0,0,0|2,0,0]=3 1346 B12R1.50 CCN(C)Cc1cccc(c1)C 2230a_100000225621_100000211840 [0,1,0,0,0,0|2,0,0]=3 1347 B12R1.50 CCN(C)Cc1cccc(c1)C 2230a_102495364743_100000210202 [0,1,0,0,0,0|2,0,0]=3 1348 B12R1.50 CCN(C)Cc1cccc(c1)C 2230a_102516607250_200000210301 [0,1,0,0,0,0|2,0,0]=3 1349 B12R1.50 CCN(C)Cc1cccc(c1)C 269982a_100000225621_100000211840 [0,1,0,0,0,0|2,0,0]=3 1350 B12R1.50 CCN(C)Cc1cccc(c1)C 269982a_102495364743_100000204670 [0,1,0,0,0,0|2,0,0]=3 1351 B12R1.50 CCN(C)Cc1cccc(c1)C 269982a_102516607250_200000210301 [0,1,0,0,0,0|2,0,0]=3 1352 B12R1.50 CCN(C)Cc1cccc(c1)C 34a_102495364743_100000210202 [0,1,0,0,0,0|2,0,0]=3 1353 B12R1.50 CCN(C)Cc1cccc(c1)Cl 2230a_100000201194_200000210301 [0,1,0,0,0,0|2,0,0]=3 1354 B12R1.50 CCN(C)Cc1cccc(c1)Cl 2230a_100000225621_100000181238 [0,1,0,0,0,0|2,0,0]=3 1355 B12R1.50 CCN(C)Cc1cccc(c1)Cl 2230a_100020629429_100000210202 [0,1,0,0,0,0|2,0,0]=3 1356 B12R1.50 CCN(C)Cc1cccc(c1)Cl 269982a_100000201194_200000210301 [0,1,0,0,0,0|2,0,0]=3 1357 B12R1.50 CCN(C)Cc1cccc(c1)Cl 269982a_100000225621_100000181238 [0,1,0,0,0,0|2,0,0]=3 1358 B12R1.50 CCN(C)Cc1cccc(c1)Cl 269982a_100020629429_100000204670 [0,1,0,0,0,0|2,0,0]=3 1359 B12R1.50 CCN(C)Cc1cccc(c1)F 2230a_100000184398_100000210202 [0,1,0,0,0,0|2,0,0]=3 1360 B12R1.50 CCN(C)Cc1cccc(c1)F 2230a_100000195558_200000210301 [0,1,0,0,0,0|2,0,0]=3 1361 B12R1.50 CCN(C)Cc1cccc(c1)F 2230a_100000225621_100000230114 [0,1,0,0,0,0|2,0,0]=3 1362 B12R1.50 CCN(C)Cc1cccc(c1)F 269982a_100000184398_100000204670 [0,1,0,0,0,0|2,0,0]=3 1363 B12R1.50 CCN(C)Cc1cccc(c1)F 269982a_100000195558_200000210301 [0,1,0,0,0,0|2,0,0]=3 1364 B12R1.50 CCN(C)Cc1cccc(c1)F 269982a_100000225621_100000230114 [0,1,0,0,0,0|2,0,0]=3 1365 B12R1.50 CCN(C)Cc1cccc(c1)F 34a_100000184398_100000210202 [0,1,0,0,0,0|2,0,0]=3 1366 B12R1.50 CCN(C)Cc1cccc(c1)F 34a_100000195558_200000210301 [0,1,0,0,0,0|2,0,0]=3 1367 B12R1.50 CCN(C)Cc1cccc(c1)I 2230a_100000225621_100011218688 [0,1,0,0,0,0|2,0,0]=3 1368 B12R1.50 CCN(C)Cc1cccc(c1)I 269982a_100000225621_100011218688 [0,1,0,0,0,0|2,0,0]=3 1369 B12R1.50 CCN(C)Cc1cccc(c1)O 2230a_100000201218_200000210301 [0,1,0,0,0,0|2,0,0]=3 1370 B12R1.50 CCN(C)Cc1cccc(c1)O 2230a_100000207540_100000210202 [0,1,0,0,0,0|2,0,0]=3 1371 B12R1.50 CCN(C)Cc1cccc(c1)O 2230a_100000225621_100011660834 [0,1,0,0,0,0|2,0,0]=3 1372 B12R1.50 CCN(C)Cc1cccc(c1)O 269982a_100000201218_200000210301 [0,1,0,0,0,0|2,0,0]=3 1373 B12R1.50 CCN(C)Cc1cccc(c1)O 269982a_100000207540_100000204670 [0,1,0,0,0,0|2,0,0]=3 1374 B12R1.50 CCN(C)Cc1cccc(c1)O 269982a_100000225621_100000084143 [0,1,0,0,0,0|2,0,0]=3 1375 B12R1.50 CCN(C)Cc1cccc(n1)Br 2230a_100000225621_100009889011 [0,1,0,0,0,0|3,0,0]=4 1376 B12R1.50 CCN(C)Cc1cccc(n1)Br 2230a_106354212997_100000210202 [0,1,0,0,0,0|3,0,0]=4 1377 B12R1.50 CCN(C)Cc1cccc(n1)Br 269982a_100000225621_100009889011 [0,1,0,0,0,0|3,0,0]=4 1378 B12R1.50 CCN(C)Cc1cccc(n1)Br 269982a_106354212997_100000204670 [0,1,0,0,0,0|3,0,0]=4 1379 B12R1.50 CCN(C)Cc1cccc(n1)C 2230a_100000225621_100000757606 [0,1,0,0,0,0|3,0,0]=4 1380 B12R1.50 CCN(C)Cc1cccc(n1)C 2230a_100000687132_100000210202 [0,1,0,0,0,0|3,0,0]=4 1381 B12R1.50 CCN(C)Cc1cccc(n1)C 269982a_100000225621_100000757606 [0,1,0,0,0,0|3,0,0]=4 1382 B12R1.50 CCN(C)Cc1cccc(n1)C 269982a_100000687132_100000204670 [0,1,0,0,0,0|3,0,0]=4 1383 B12R1.50 CCN(C)Cc1cccc(n1)Cl 2230a_100000225621_100000086093 [0,1,0,0,0,0|3,0,0]=4 1384 B12R1.50 CCN(C)Cc1cccc(n1)Cl 269982a_100000225621_100000086093 [0,1,0,0,0,0|3,0,0]=4 1385 B12R1.50 CCN(C)Cc1cccc(n1)F 2230a_100000225621_100009819644 [0,1,0,0,0,0|3,0,0]=4 1386 B12R1.50 CCN(C)Cc1cccc(n1)F 269982a_100000225621_100009819644 [0,1,0,0,0,0|3,0,0]=4 1387 B12R1.50 CCN(C)Cc1ccnc(c1)Br 2230a_100000225621_100010243470 [0,1,0,0,0,0|3,0,0]=4 1388 B12R1.50 CCN(C)Cc1ccnc(c1)Br 269982a_100000225621_100010254460 [0,1,0,0,0,0|3,0,0]=4 1389 B12R1.50 CCN(C)Cc1ccnc(c1)C 2230a_100000225621_200020672517 [0,1,0,0,0,0|3,0,0]=4 1390 B12R1.50 CCN(C)Cc1ccnc(c1)C 269982a_100000225621_200020672517 [0,1,0,0,0,0|3,0,0]=4 1391 B12R1.50 CCN(C)Cc1ccnc(c1)Cl 2230a_100000225621_100000764220 [0,1,0,0,0,0|3,0,0]=4 1392 B12R1.50 CCN(C)Cc1ccnc(c1)Cl 269982a_100000225621_100000764220 [0,1,0,0,0,0|3,0,0]=4 1393 B12R1.50 CCN(C)Cc1cncc(c1)Br 2230a_100000225621_100000738771 [0,1,0,0,0,0|3,0,0]=4 1394 B12R1.50 CCN(C)Cc1cncc(c1)Br 2230a_103549770560_100000210202 [0,1,0,0,0,0|3,0,0]=4 1395 B12R1.50 CCN(C)Cc1cncc(c1)Br 269982a_100000225621_100000738771 [0,1,0,0,0,0|3,0,0]=4 1396 B12R1.50 CCN(C)Cc1cncc(c1)Br 269982a_103549770560_100000204670 [0,1,0,0,0,0|3,0,0]=4 1397 B12R1.50 CCN(C)Cc1cncc(c1)C 2230a_100000225621_100000716715 [0,1,0,0,0,0|3,0,0]=4 1398 B12R1.50 CCN(C)Cc1cncc(c1)C 269982a_100000225621_100000716715 [0,1,0,0,0,0|3,0,0]=4 1399 B12R1.50 CCN(C)Cc1cncc(c1)Cl 2230a_100000225621_100016992070 [0,1,0,0,0,0|3,0,0]=4 1400 B12R1.50 CCN(C)Cc1cncc(c1)Cl 269982a_100000225621_100016992070 [0,1,0,0,0,0|3,0,0]=4 1401 B12R1.50 CCN(C)Cc1cncc(c1)F 2230a_100000225621_100000725299 [0,1,0,0,0,0|3,0,0]=4 1402 B12R1.50 CCN(C)Cc1cncc(c1)F 269982a_100000225621_100000725299 [0,1,0,0,0,0|3,0,0]=4 1403 B12R1.50 CCN([13CH3])Cc1cccc(c1)Br 2230a_100000187426_200025704644 [0,1,0,0,0,0|2,0,0]=3 1404 B12R1.50 CCN([13CH3])Cc1cccc(c1)Br 269982a_100000187426_200025704644 [0,1,0,0,0,0|2,0,0]=3 1405 B12R1.50 CCN([13CH3])Cc1cccc(c1)C 2230a_102516607250_200025704644 [0,1,0,0,0,0|2,0,0]=3 1406 B12R1.50 CCN([13CH3])Cc1cccc(c1)C 269982a_102516607250_200025704644 [0,1,0,0,0,0|2,0,0]=3 1407 B12R1.50 CCN([13CH3])Cc1cccc(c1)Cl 2230a_100000201194_200025704644 [0,1,0,0,0,0|2,0,0]=3 1408 B12R1.50 CCN([13CH3])Cc1cccc(c1)Cl 269982a_100000201194_200025704644 [0,1,0,0,0,0|2,0,0]=3 1409 B12R1.50 CCN([13CH3])Cc1cccc(c1)F 2230a_100000195558_200025704644 [0,1,0,0,0,0|2,0,0]=3 1410 B12R1.50 CCN([13CH3])Cc1cccc(c1)F 269982a_100000195558_200025704644 [0,1,0,0,0,0|2,0,0]=3 1411 B12R1.50 CCN([13CH3])Cc1cccc(c1)F 34a_100000195558_200025704644 [0,1,0,0,0,0|2,0,0]=3 1412 B12R1.50 CCN([13CH3])Cc1cccc(c1)O 2230a_100000201218_200025704644 [0,1,0,0,0,0|2,0,0]=3 1413 B12R1.50 CCN([13CH3])Cc1cccc(c1)O 269982a_100000201218_200025704644 [0,1,0,0,0,0|2,0,0]=3 1414 B12R1.50 CN(CF)Cc1cccc(c1)Br 269982a_100000187585_100015361967 [0,1,0,0,0,0|3,0,0]=4 1415 B12R1.50 CN(CF)Cc1cccc(c1)Cl 269982a_100020629429_100015361967 [0,1,0,0,0,0|3,0,0]=4 1416 B12R1.50 CN(CF)Cc1cccc(c1)F 269982a_100000184398_100015361967 [0,1,0,0,0,0|3,0,0]=4 1417 B12R1.50 CN(CF)Cc1cccc(c1)F 34a_100000184398_100015361967 [0,1,0,0,0,0|3,0,0]=4 1418 B12R1.50 CN(CF)Cc1cccc(c1)O 269982a_100000207540_100015361967 [0,1,0,0,0,0|3,0,0]=4 1419 B12R1.50 CNC(=O)Cc1cccc(c1)Br 11a_106832991635_100000747190 [0,1,0,0,0,0|1,0,1]=3 1420 B12R1.50 CNC(=O)Cc1cccc(c1)Br 240690a_100102657272_100000747190 [0,1,0,0,0,0|1,0,1]=3 1421 B12R1.50 CNC(=O)Cc1cccc(c1)Br 527a_100102657272_100000747190 [0,1,0,0,0,0|1,0,1]=3 1422 B12R1.50 CNC(=O)Cc1cccc(c1)C 11a_106832991635_100011206899 [0,1,0,0,0,0|1,0,1]=3 1423 B12R1.50 CNC(=O)Cc1cccc(c1)C 1626a_100102657272_100011206899 [0,1,0,0,0,0|1,0,1]=3 1424 B12R1.50 CNC(=O)Cc1cccc(c1)C 240690a_100102657272_100011206899 [0,1,0,0,0,0|1,0,1]=3 1425 B12R1.50 CNC(=O)Cc1cccc(c1)C 527a_100102657272_100011206899 [0,1,0,0,0,0|1,0,1]=3 1426 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 11a_106832991635_100000749307 [0,1,0,0,0,0|1,0,1]=3 1427 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 1626a_100102657272_100000749307 [0,1,0,0,0,0|1,0,1]=3 1428 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 240690a_100102657272_100000749307 [0,1,0,0,0,0|1,0,1]=3 1429 B12R1.50 CNC(=O)Cc1cccc(c1)Cl 527a_100102657272_100000749307 [0,1,0,0,0,0|1,0,1]=3 1430 B12R1.50 CNC(=O)Cc1cccc(c1)F 11a_106832991635_100000211661 [0,1,0,0,0,0|1,0,1]=3 1431 B12R1.50 CNC(=O)Cc1cccc(c1)F 1626a_100102657272_100000211661 [0,1,0,0,0,0|1,0,1]=3 1432 B12R1.50 CNC(=O)Cc1cccc(c1)F 240690a_100102657272_100000211661 [0,1,0,0,0,0|1,0,1]=3 1433 B12R1.50 CNC(=O)Cc1cccc(c1)F 527a_100102657272_100000211661 [0,1,0,0,0,0|1,0,1]=3 1434 B12R1.50 CNC(=O)Cc1cccc(c1)I 11a_106832991635_100000238430 [0,1,0,0,0,0|1,0,1]=3 1435 B12R1.50 CNC(=O)Cc1cccc(c1)I 1626a_100102657272_100000238430 [0,1,0,0,0,0|1,0,1]=3 1436 B12R1.50 CNC(=O)Cc1cccc(c1)I 240690a_100102657272_100000238430 [0,1,0,0,0,0|1,0,1]=3 1437 B12R1.50 CNC(=O)Cc1cccc(c1)I 527a_100102657272_100000238430 [0,1,0,0,0,0|1,0,1]=3 1438 B12R1.50 CNC(=O)Cc1cccc(c1)O 240690a_100102657272_100000745134 [0,1,0,0,0,0|1,0,1]=3 1439 B12R1.50 CNC(=O)Cc1cccc(c1)O 527a_100102657272_100000745134 [0,1,0,0,0,0|1,0,1]=3 1440 B12R1.50 CNC(=O)Cc1cccc(n1)Br 11a_106832991635_100010201708 [0,1,0,0,0,0|2,0,1]=4 1441 B12R1.50 CNC(=O)Cc1cccc(n1)Br 240690a_100102657272_100010201708 [0,1,0,0,0,0|2,0,1]=4 1442 B12R1.50 CNC(=O)Cc1cccc(n1)Br 527a_100102657272_100010201708 [0,1,0,0,0,0|2,0,1]=4 1443 B12R1.50 CNC(=O)Cc1cccc(n1)C 11a_106832991635_100012001110 [0,1,0,0,0,0|2,0,1]=4 1444 B12R1.50 CNC(=O)Cc1cccc(n1)C 1626a_100102657272_100012001110 [0,1,0,0,0,0|2,0,1]=4 1445 B12R1.50 CNC(=O)Cc1cccc(n1)C 240690a_100102657272_100012001110 [0,1,0,0,0,0|2,0,1]=4 1446 B12R1.50 CNC(=O)Cc1cccc(n1)C 527a_100102657272_100012001110 [0,1,0,0,0,0|2,0,1]=4 1447 B12R1.50 CNC(=O)Cc1cccc(n1)Cl 11a_106832991635_100000090259 [0,1,0,0,0,0|2,0,1]=4 1448 B12R1.50 CNC(=O)Cc1cccc(n1)Cl 1626a_100102657272_100000090259 [0,1,0,0,0,0|2,0,1]=4 1449 B12R1.50 CNC(=O)Cc1cccc(n1)Cl 240690a_100102657272_100000090259 [0,1,0,0,0,0|2,0,1]=4 1450 B12R1.50 CNC(=O)Cc1cccc(n1)F 11a_106832991635_100000096803 [0,1,0,0,0,0|2,0,1]=4 1451 B12R1.50 CNC(=O)Cc1cccc(n1)F 1626a_100102657272_100000096803 [0,1,0,0,0,0|2,0,1]=4 1452 B12R1.50 CNC(=O)Cc1cccc(n1)F 240690a_100102657272_100000096803 [0,1,0,0,0,0|2,0,1]=4 1453 B12R1.50 CNC(=O)Cc1ccnc(c1)Br 11a_106832991635_100010126891 [0,1,0,0,0,0|2,0,1]=4 1454 B12R1.50 CNC(=O)Cc1ccnc(c1)Br 240690a_100102657272_100010126891 [0,1,0,0,0,0|2,0,1]=4 1455 B12R1.50 CNC(=O)Cc1ccnc(c1)Br 527a_100102657272_100010126891 [0,1,0,0,0,0|2,0,1]=4 1456 B12R1.50 CNC(=O)Cc1ccnc(c1)Cl 11a_106832991635_100000085289 [0,1,0,0,0,0|2,0,1]=4 1457 B12R1.50 CNC(=O)Cc1ccnc(c1)Cl 1626a_100102657272_100000085289 [0,1,0,0,0,0|2,0,1]=4 1458 B12R1.50 CNC(=O)Cc1ccnc(c1)Cl 240690a_100102657272_100000085289 [0,1,0,0,0,0|2,0,1]=4 1459 B12R1.50 CNC(=O)Cc1ccnc(c1)Cl 527a_100102657272_100000085289 [0,1,0,0,0,0|2,0,1]=4 1460 B12R1.50 CNC(=O)Cc1cncc(c1)Br 11a_106832991635_100000239331 [0,1,0,0,0,0|2,0,1]=4 1461 B12R1.50 CNC(=O)Cc1cncc(c1)Br 240690a_100102657272_100000239331 [0,1,0,0,0,0|2,0,1]=4 1462 B12R1.50 CNC(=O)Cc1cncc(c1)Br 527a_100102657272_100000239331 [0,1,0,0,0,0|2,0,1]=4 1463 B12R1.50 CNC(=O)Cc1cncc(c1)F 11a_106832991635_100011667516 [0,1,0,0,0,0|2,0,1]=4 1464 B12R1.50 CNC(=O)Cc1cncc(c1)F 240690a_100102657272_100011667516 [0,1,0,0,0,0|2,0,1]=4 1465 B12R1.50 CNC(=O)Cc1cncc(c1)F 527a_100102657272_100011667516 [0,1,0,0,0,0|2,0,1]=4 1466 B12R1.50 CNC(=O)Nc1cccc(c1)Br 2430a_100000210019_100102657272 [0,1,0,0,0,0|2,0,1]=4 1467 B12R1.50 CNC(=O)Nc1cccc(c1)Br 512a_100000210019_100102657272 [0,1,0,0,0,0|2,0,1]=4 1468 B12R1.50 CNC(=O)Nc1cccc(c1)C 2430a_100000188690_100102657272 [0,1,0,0,0,0|2,0,1]=4 1469 B12R1.50 CNC(=O)Nc1cccc(c1)C 512a_100000188690_100102657272 [0,1,0,0,0,0|2,0,1]=4 1470 B12R1.50 CNC(=O)Nc1cccc(c1)Cl 2430a_100000185859_100102657272 [0,1,0,0,0,0|2,0,1]=4 1471 B12R1.50 CNC(=O)Nc1cccc(c1)F 2430a_100000210047_100102657272 [0,1,0,0,0,0|2,0,1]=4 1472 B12R1.50 CNC(=O)Nc1cccc(c1)F 512a_100000210047_100102657272 [0,1,0,0,0,0|2,0,1]=4 1473 B12R1.50 CNC(=O)Nc1cccc(c1)I 2430a_100000211102_100102657272 [0,1,0,0,0,0|2,0,1]=4 1474 B12R1.50 CNC(=O)Nc1cccc(c1)I 512a_100000211102_100102657272 [0,1,0,0,0,0|2,0,1]=4 1475 B12R1.50 CNC(=O)Nc1cccc(c1)O 2430a_100000210217_100102657272 [0,1,0,0,0,0|2,0,1]=4 1476 B12R1.50 CNC(=O)Nc1cccc(c1)O 512a_100000210217_100102657272 [0,1,0,0,0,0|2,0,1]=4 1477 B12R1.50 CNC(C)Cc1cc(ccn1)C 270004a_106832991635_200015184229 [0,1,0,0,0,0|1,0,0]=2 1478 B12R1.50 CNC(C)Cc1cccc(c1)Br 270004a_106832991635_100000689217 [0,1,0,0,0,0|0,0,0]=1 1479 B12R1.50 CNC(C)Cc1cccc(c1)Cl 270004a_106832991635_100000727212 [0,1,0,0,0,0|0,0,0]=1 1480 B12R1.50 CNC(C)Cc1cccc(c1)F 270004a_106832991635_100000687711 [0,1,0,0,0,0|0,0,0]=1 1481 B12R1.50 COC(=O)Cc1cccc(c1)O 271570a_203496583355_100000699549 [0,1,0,0,0,0|2,0,1]=4 1482 B12R1.50 COC(C)Cc1cccc(n1)C 34a_200015421231_200000210301 [0,1,0,0,0,0|2,0,0]=3 1483 B12R1.50 COC(C)Sc1cc(=O)cc[nH]1 62a_100009817434_100009879195 [0,1,0,0,0,0|3,0,0]=4 1484 B12R1.50 COC(C)Sc1cc(ccn1)C 62a_100000750283_100009879195 [0,1,0,0,0,0|3,0,0]=4 1485 B12R1.50 COC(C)Sc1cc(ccn1)C 62a_100009879195_100000750283 [0,1,0,0,0,0|3,0,0]=4 1486 B12R1.50 COC(C)Sc1cc(ccn1)Cl 62a_100009879195_100010167805 [0,1,0,0,0,0|3,0,0]=4 1487 B12R1.50 COC(C)Sc1cc(ccn1)Cl 62a_100010167805_100009879195 [0,1,0,0,0,0|3,0,0]=4 1488 B12R1.50 COC(C)Sc1cc(ccn1)F 62a_100000764206_100009879195 [0,1,0,0,0,0|3,0,0]=4 1489 B12R1.50 COC(C)Sc1cc(ccn1)F 62a_100009879195_100000764206 [0,1,0,0,0,0|3,0,0]=4 1490 B12R1.50 COC(C)Sc1cc(ccn1)N 62a_100009814236_100009879195 [0,1,0,0,0,0|3,0,0]=4 1491 B12R1.50 COC(C)Sc1cc(ccn1)N 62a_100009879195_100009814236 [0,1,0,0,0,0|3,0,0]=4 1492 B12R1.50 COC(C)Sc1cc(ccn1)O 62a_100009879195_100000762945 [0,1,0,0,0,0|3,0,0]=4 1493 B12R1.50 COC(C)Sc1cc[nH]c(=O)c1 62a_100009816521_100009879195 [0,1,0,0,0,0|3,0,0]=4 1494 B12R1.50 COC(C)Sc1cc[nH]c(=O)c1 62a_100009879195_100009816521 [0,1,0,0,0,0|3,0,0]=4 1495 B12R1.50 COC(C)Sc1ccc[n+](c1)C 62a_100009879195_100009996589 [0,1,0,0,0,0|3,0,0]=4 1496 B12R1.50 COC(C)Sc1ccc[n+](c1)C 62a_100009996589_100009879195 [0,1,0,0,0,0|3,0,0]=4 1497 B12R1.50 COC(C)Sc1ccc[n+](c1)[O-] 62a_100009879195_100009815978 [0,1,0,0,0,0|3,0,0]=4 1498 B12R1.50 COC(C)Sc1cccc(=O)[nH]1 62a_100009879195_100000752884 [0,1,0,0,0,0|3,0,0]=4 1499 B12R1.50 COC(C)Sc1cccc(c1)Br 62a_100000691529_100009879195 [0,1,0,0,0,0|2,0,0]=3 1500 B12R1.50 COC(C)Sc1cccc(c1)Br 62a_100009879195_100000691529 [0,1,0,0,0,0|2,0,0]=3 1501 B12R1.50 COC(C)Sc1cccc(c1)C 62a_100009879195_100011215228 [0,1,0,0,0,0|2,0,0]=3 1502 B12R1.50 COC(C)Sc1cccc(c1)C 62a_100011215228_100009879195 [0,1,0,0,0,0|2,0,0]=3 1503 B12R1.50 COC(C)Sc1cccc(c1)Cl 62a_100000699651_100009879195 [0,1,0,0,0,0|2,0,0]=3 1504 B12R1.50 COC(C)Sc1cccc(c1)Cl 62a_100009879195_100000699651 [0,1,0,0,0,0|2,0,0]=3 1505 B12R1.50 COC(C)Sc1cccc(c1)F 62a_100000685547_100009879195 [0,1,0,0,0,0|2,0,0]=3 1506 B12R1.50 COC(C)Sc1cccc(c1)F 62a_100009879195_100000685547 [0,1,0,0,0,0|2,0,0]=3 1507 B12R1.50 COC(C)Sc1cccc(c1)N 62a_100000210019_100009879195 [0,1,0,0,0,0|2,0,0]=3 1508 B12R1.50 COC(C)Sc1cccc(c1)N 62a_100009879195_100000210019 [0,1,0,0,0,0|2,0,0]=3 1509 B12R1.50 COC(C)Sc1cccc(c1)O 62a_100009879195_100000211634 [0,1,0,0,0,0|2,0,0]=3 1510 B12R1.50 COC(C)Sc1cccc(c1)[S] 62a_100009879195_114929384022 [0,1,0,0,0,0|2,0,0]=3 1511 B12R1.50 COC(C)Sc1cccc(c1)[S] 62a_114929384022_100009879195 [0,1,0,0,0,0|2,0,0]=3 1512 B12R1.50 COC(C)Sc1cccc(n1)Br 62a_100000684672_100009879195 [0,1,0,0,0,0|3,0,0]=4 1513 B12R1.50 COC(C)Sc1cccc(n1)Br 62a_100009879195_100000684672 [0,1,0,0,0,0|3,0,0]=4 1514 B12R1.50 COC(C)Sc1cccc(n1)C 62a_100000742759_100009879195 [0,1,0,0,0,0|3,0,0]=4 1515 B12R1.50 COC(C)Sc1cccc(n1)C 62a_100009879195_100000742759 [0,1,0,0,0,0|3,0,0]=4 1516 B12R1.50 COC(C)Sc1cccc(n1)Cl 62a_100000051397_100009879195 [0,1,0,0,0,0|3,0,0]=4 1517 B12R1.50 COC(C)Sc1cccc(n1)Cl 62a_100009879195_100000051397 [0,1,0,0,0,0|3,0,0]=4 1518 B12R1.50 COC(C)Sc1cccc(n1)F 62a_100009815982_100009879195 [0,1,0,0,0,0|3,0,0]=4 1519 B12R1.50 COC(C)Sc1cccc(n1)F 62a_100009879195_100009815982 [0,1,0,0,0,0|3,0,0]=4 1520 B12R1.50 COC(C)Sc1cccc(n1)N 62a_100000740741_100009879195 [0,1,0,0,0,0|3,0,0]=4 1521 B12R1.50 COC(C)Sc1cccc(n1)N 62a_100009879195_100000740741 [0,1,0,0,0,0|3,0,0]=4 1522 B12R1.50 COC(C)Sc1ccnc(c1)Br 62a_100009814637_100009879195 [0,1,0,0,0,0|3,0,0]=4 1523 B12R1.50 COC(C)Sc1ccnc(c1)Br 62a_100009879195_100009814637 [0,1,0,0,0,0|3,0,0]=4 1524 B12R1.50 COC(C)Sc1ccnc(c1)C 62a_100000758586_100009879195 [0,1,0,0,0,0|3,0,0]=4 1525 B12R1.50 COC(C)Sc1ccnc(c1)C 62a_100009879195_100000758586 [0,1,0,0,0,0|3,0,0]=4 1526 B12R1.50 COC(C)Sc1ccnc(c1)Cl 62a_100000035001_100009879195 [0,1,0,0,0,0|3,0,0]=4 1527 B12R1.50 COC(C)Sc1ccnc(c1)Cl 62a_100009879195_100000035001 [0,1,0,0,0,0|3,0,0]=4 1528 B12R1.50 COC(C)Sc1ccnc(c1)F 62a_100009816116_100009879195 [0,1,0,0,0,0|3,0,0]=4 1529 B12R1.50 COC(C)Sc1ccnc(c1)F 62a_100009879195_100009816116 [0,1,0,0,0,0|3,0,0]=4 1530 B12R1.50 COC(C)Sc1ccnc(c1)N 62a_100000049665_100009879195 [0,1,0,0,0,0|3,0,0]=4 1531 B12R1.50 COC(C)Sc1ccnc(c1)N 62a_100009879195_100000049665 [0,1,0,0,0,0|3,0,0]=4 1532 B12R1.50 COC(C)Sc1cncc(c1)Br 62a_100000728054_100009879195 [0,1,0,0,0,0|3,0,0]=4 1533 B12R1.50 COC(C)Sc1cncc(c1)Br 62a_100009879195_100000728054 [0,1,0,0,0,0|3,0,0]=4 1534 B12R1.50 COC(C)Sc1cncc(c1)C 62a_100000760492_100009879195 [0,1,0,0,0,0|3,0,0]=4 1535 B12R1.50 COC(C)Sc1cncc(c1)C 62a_100009879195_100000760492 [0,1,0,0,0,0|3,0,0]=4 1536 B12R1.50 COC(C)Sc1cncc(c1)Cl 62a_100000049639_100009879195 [0,1,0,0,0,0|3,0,0]=4 1537 B12R1.50 COC(C)Sc1cncc(c1)Cl 62a_100009879195_100000049639 [0,1,0,0,0,0|3,0,0]=4 1538 B12R1.50 COC(C)Sc1cncc(c1)F 62a_100000744099_100009879195 [0,1,0,0,0,0|3,0,0]=4 1539 B12R1.50 COC(C)Sc1cncc(c1)F 62a_100009879195_100000744099 [0,1,0,0,0,0|3,0,0]=4 1540 B12R1.50 COC(C)Sc1cncc(c1)N 62a_100000687067_100009879195 [0,1,0,0,0,0|3,0,0]=4 1541 B12R1.50 COC(C)Sc1cncc(c1)N 62a_100009879195_100000687067 [0,1,0,0,0,0|3,0,0]=4 1542 B12R1.50 COC(C)Sc1cncc(c1)O 62a_100000754920_100009879195 [0,1,0,0,0,0|3,0,0]=4 1543 B12R1.50 COC(C)Sc1cncc(c1)O 62a_100009879195_100000754920 [0,1,0,0,0,0|3,0,0]=4 1544 B12R1.50 C[C@H](CO)Sc1cccc(c1)Br 62a_100000691529_100016084084 [0,1,0,0,0,0|3,0,0]=4 1545 B12R1.50 C[C@H](CO)Sc1cccc(c1)Br 62a_100016084084_100000691529 [0,1,0,0,0,0|3,0,0]=4 1546 B12R1.50 C[C@H](CO)Sc1cccc(c1)Cl 62a_100000699651_100016084084 [0,1,0,0,0,0|3,0,0]=4 1547 B12R1.50 C[C@H](CO)Sc1cccc(c1)Cl 62a_100016084084_100000699651 [0,1,0,0,0,0|3,0,0]=4 1548 B12R1.50 C[C@H](CO)Sc1cccc(c1)F 62a_100000685547_100016084084 [0,1,0,0,0,0|3,0,0]=4 1549 B12R1.50 C[C@H](CO)Sc1cccc(c1)F 62a_100016084084_100000685547 [0,1,0,0,0,0|3,0,0]=4 1550 B12R1.50 C[C@H](CO)Sc1cccc(c1)N 62a_100000210019_100016084084 [0,1,0,0,0,0|3,0,0]=4 1551 B12R1.50 C[C@H](CO)Sc1cccc(c1)N 62a_100016084084_100000210019 [0,1,0,0,0,0|3,0,0]=4 1552 B12R1.50 C[C@H](CO)Sc1cccc(c1)O 62a_100016084084_100000211634 [0,1,0,0,0,0|3,0,0]=4 1553 B12R1.50 C[C@H](CO)Sc1cccc(c1)[S] 62a_100016084084_114929384022 [0,1,0,0,0,0|3,0,0]=4 1554 B12R1.50 C[C@H](CO)Sc1cccc(c1)[S] 62a_114929384022_100016084084 [0,1,0,0,0,0|3,0,0]=4 1555 B12R1.50 Cc1cccc(c1)CN(C)CF 269982a_102495364743_100015361967 [0,1,0,0,0,0|3,0,0]=4 1556 B12R1.50 Cc1cccc(c1)CN(C)CF 34a_102495364743_100015361967 [0,1,0,0,0,0|3,0,0]=4 1557 B12R1.50 Cc1cccc(c1)NC(C)C#N 2230a_100000188690_100000184139 [0,1,0,0,0,0|3,0,0]=4 1558 B12R1.50 Cc1cccc(c1)NC(C)CO 2230a_100000188690_100012180447 [0,1,0,0,0,0|3,0,0]=4 1559 B12R1.50 Cc1cccc(c1)NC(C)CO 34a_100000188690_100012180447 [0,1,0,0,0,0|3,0,0]=4 1560 B12R1.50 Cc1cccc(c1)OC(C)C#N 7a_100000210337_100000703298 [0,1,0,0,0,0|3,0,0]=4 1561 B12R1.50 Cc1cccc(c1)OC(C)CO 34a_100000210337_100012180447 [0,1,0,0,0,0|3,0,0]=4 1562 B12R1.50 Cc1cccc(c1)OC(C)CO 7a_100000210337_100012180447 [0,1,0,0,0,0|3,0,0]=4 1563 B12R1.50 Cc1cccc(c1)SC(C)C#N 62a_100000703298_100011215228 [0,1,0,0,0,0|3,0,0]=4 1564 B12R1.50 Cc1cccc(c1)SC(C)C#N 62a_100011215228_100000703298 [0,1,0,0,0,0|3,0,0]=4 1565 B12R1.50 Cc1cccc(c1)SC(C)CO 62a_100012180447_100011215228 [0,1,0,0,0,0|3,0,0]=4 1566 B12R1.50 Cc1cccc(c1)S[C@H](C)CO 62a_100011215228_100016084084 [0,1,0,0,0,0|3,0,0]=4 1567 B12R1.50 Cc1cccc(c1)S[C@H](C)CO 62a_100016084084_100011215228 [0,1,0,0,0,0|3,0,0]=4 1568 B12R1.50 Cc1cccc(n1)CC(C)O[13CH3] 34a_200015421231_200025704644 [0,1,0,0,0,0|2,0,0]=3 1569 B12R1.50 NC(CO)Cc1cccc(c1)O 271570a_203496583355_114802770106 [0,1,0,0,0,0|3,0,0]=4 1570 B12R1.118 C#CC(Cc1ccccc1)OC 34a_100000685211_200000210301 [0,1,0,0,0,0|1,0,1]=3 1571 B12R1.118 C#CC(Cc1ccccc1)OC 7a_100000685211_200000210301 [0,1,0,0,0,0|1,0,1]=3 1572 B12R1.118 C#CC(Cc1ccccc1)O[13CH3] 34a_100000685211_200025704644 [0,1,0,0,0,0|1,0,1]=3 1573 B12R1.118 C#CC(Cc1ccccc1)O[13CH3] 7a_100000685211_200025704644 [0,1,0,0,0,0|1,0,1]=3 1574 B12R1.118 CCC(CC)Oc1ccccc1 7a_100000210340_100000210505 [0,1,0,0,0,0|2,0,0]=3 1575 B12R1.118 CCC(CC)Oc1cccnc1 7a_100000210849_100000210505 [0,1,0,0,0,0|3,0,0]=4 1576 B12R1.118 CCC(CC)Sc1ccccc1 62a_100000210505_100000041952 [0,1,0,0,0,0|2,0,0]=3 1577 B12R1.118 CCC(CC)Sc1ccccc1 62a_100000719477_100000210505 [0,1,0,0,0,0|2,0,0]=3 1578 B12R1.118 CCC(CC)Sc1ccccn1 62a_100000210505_100011216584 [0,1,0,0,0,0|3,0,0]=4 1579 B12R1.118 CCC(CC)Sc1ccccn1 62a_100011216584_100000210505 [0,1,0,0,0,0|3,0,0]=4 1580 B12R1.118 CCC(CC)Sc1cccnc1 62a_100000210063_100000210505 [0,1,0,0,0,0|3,0,0]=4 1581 B12R1.118 CCC(CC)Sc1cccnc1 62a_100000210505_100000210063 [0,1,0,0,0,0|3,0,0]=4 1582 B12R1.118 CCC(CC)Sc1ccncc1 62a_100000210505_100000728582 [0,1,0,0,0,0|3,0,0]=4 1583 B12R1.118 CCC(CC)Sc1ccncc1 62a_100000728582_100000210505 [0,1,0,0,0,0|3,0,0]=4 1584 B12R1.118 CCC(Cc1ccccc1)NC 270004a_106832991635_100000212045 [0,1,0,0,0,0|0,0,0]=1 1585 B12R1.118 CCC(Cc1ccccc1)OC 7a_100000760156_200000210301 [0,1,0,0,0,0|1,0,0]=2 1586 B12R1.118 CCC(Cc1ccccc1)O[13CH3] 7a_100000760156_200025704644 [0,1,0,0,0,0|1,0,0]=2 1587 B12R1.118 CCN(CC)Cc1ccccc1 2230a_100000186914_100000210202 [0,1,0,0,0,0|2,0,0]=3 1588 B12R1.118 CCN(CC)Cc1ccccc1 2230a_100000724800_100015291786 [0,1,0,0,0,0|2,0,0]=3 1589 B12R1.118 CCN(CC)Cc1ccccc1 269956a_100000042499_100015291786 [0,1,0,0,0,0|2,0,0]=3 1590 B12R1.118 CCN(CC)Cc1ccccc1 269982a_100000186914_100000204670 [0,1,0,0,0,0|2,0,0]=3 1591 B12R1.118 CCN(CC)Cc1ccccc1 269982a_100000724800_100000211182 [0,1,0,0,0,0|2,0,0]=3 1592 B12R1.118 CCN(CC)Cc1ccccc1 270004a_100000724800_100015611070 [0,1,0,0,0,0|2,0,0]=3 1593 B12R1.118 CCN(CC)Cc1ccccn1 2230a_100000201164_100000210202 [0,1,0,0,0,0|3,0,0]=4 1594 B12R1.118 CCN(CC)Cc1ccccn1 2230a_100000724800_100000721315 [0,1,0,0,0,0|3,0,0]=4 1595 B12R1.118 CCN(CC)Cc1ccccn1 269956a_100000042499_100000721315 [0,1,0,0,0,0|3,0,0]=4 1596 B12R1.118 CCN(CC)Cc1ccccn1 269982a_100000201164_100000204670 [0,1,0,0,0,0|3,0,0]=4 1597 B12R1.118 CCN(CC)Cc1ccccn1 269982a_100000724800_100000721315 [0,1,0,0,0,0|3,0,0]=4 1598 B12R1.118 CCN(CC)Cc1ccccn1 270004a_100000724800_100000209966 [0,1,0,0,0,0|3,0,0]=4 1599 B12R1.118 CCN(CC)Cc1cccnc1 2230a_100000186920_100000210202 [0,1,0,0,0,0|3,0,0]=4 1600 B12R1.118 CCN(CC)Cc1cccnc1 2230a_100000724800_100000741622 [0,1,0,0,0,0|3,0,0]=4 1601 B12R1.118 CCN(CC)Cc1cccnc1 269956a_100000042499_100000733263 [0,1,0,0,0,0|3,0,0]=4 1602 B12R1.118 CCN(CC)Cc1cccnc1 269982a_100000186920_100000204670 [0,1,0,0,0,0|3,0,0]=4 1603 B12R1.118 CCN(CC)Cc1cccnc1 269982a_100000724800_100000733263 [0,1,0,0,0,0|3,0,0]=4 1604 B12R1.118 CCN(CC)Cc1cccnc1 270004a_100000724800_100000209961 [0,1,0,0,0,0|3,0,0]=4 1605 B12R1.118 CCN(CC)Cc1ccncc1 2230a_100000186919_100000210202 [0,1,0,0,0,0|3,0,0]=4 1606 B12R1.118 CCN(CC)Cc1ccncc1 2230a_100000724800_100015193705 [0,1,0,0,0,0|3,0,0]=4 1607 B12R1.118 CCN(CC)Cc1ccncc1 269956a_100000042499_100015193705 [0,1,0,0,0,0|3,0,0]=4 1608 B12R1.118 CCN(CC)Cc1ccncc1 269982a_100000186919_100000204670 [0,1,0,0,0,0|3,0,0]=4 1609 B12R1.118 CCN(CC)Cc1ccncc1 269982a_100000724800_100015193705 [0,1,0,0,0,0|3,0,0]=4 1610 B12R1.118 CCN(CF)Cc1ccccc1 269982a_100000186914_100015361967 [0,1,0,0,0,0|2,0,0]=3 1611 B12R1.118 CCN(CF)Cc1ccccn1 269982a_100000201164_100015361967 [0,1,0,0,0,0|3,0,0]=4 1612 B12R1.118 CCN(CF)Cc1cccnc1 269982a_100000186920_100015361967 [0,1,0,0,0,0|3,0,0]=4 1613 B12R1.118 CCN(CF)Cc1ccncc1 269982a_100000186919_100015361967 [0,1,0,0,0,0|3,0,0]=4 1614 B12R1.118 CNC(C#N)Cc1ccccc1 2230a_100000746547_200000210301 [0,1,0,0,0,0|0,0,1]=2 1615 B12R1.118 CNC(C#N)Cc1ccccc1 7a_106832991635_100000183401 [0,1,0,0,0,0|0,0,1]=2 1616 B12R1.118 CNC(CO)Cc1ccccc1 2230a_100000739027_200000210301 [0,1,0,0,0,0|0,0,0]=1 1617 B12R1.118 CNC(CO)Cc1cccnc1 2230a_100000717814_200000210301 [0,1,0,0,0,0|1,0,0]=2 1618 B12R1.118 CNC(CO)Cc1ccncc1 2230a_100000717866_200000210301 [0,1,0,0,0,0|1,0,0]=2 1619 B12R1.118 COC(CN)Cc1ccccc1 34a_100000752270_200000210301 [0,1,0,0,0,0|1,0,0]=2 1620 B12R1.118 CO[C@H](CCl)Cc1ccccc1 7a_100000729385_200000210301 [0,1,0,0,0,0|1,0,0]=2 1621 B12R1.118 CSC(C#N)Cc1ccccc1 62a_100000183401_200000210301 [0,1,0,0,0,0|1,0,1]=3 1622 B12R1.118 CSC(C#N)Cc1ccccc1 62a_200000210301_100000183401 [0,1,0,0,0,0|1,0,1]=3 1623 B12R1.118 [13CH3]NC(C#N)Cc1ccccc1 2230a_100000746547_200025704644 [0,1,0,0,0,0|0,0,1]=2 1624 B12R1.118 [13CH3]NC(CO)Cc1ccccc1 2230a_100000739027_200025704644 [0,1,0,0,0,0|0,0,0]=1 1625 B12R1.118 [13CH3]NC(CO)Cc1cccnc1 2230a_100000717814_200025704644 [0,1,0,0,0,0|1,0,0]=2 1626 B12R1.118 [13CH3]NC(CO)Cc1ccncc1 2230a_100000717866_200025704644 [0,1,0,0,0,0|1,0,0]=2 1627 B12R1.118 [13CH3]OC(CN)Cc1ccccc1 34a_100000752270_200025704644 [0,1,0,0,0,0|1,0,0]=2 1628 B12R1.118 [13CH3]O[C@H](CCl)Cc1ccccc1 7a_100000729385_200025704644 [0,1,0,0,0,0|1,0,0]=2 1629 B12R1.118 [13CH3]SC(C#N)Cc1ccccc1 62a_100000183401_200025704644 [0,1,0,0,0,0|1,0,1]=3 1630 B12R1.118 [13CH3]SC(C#N)Cc1ccccc1 62a_200025704644_100000183401 [0,1,0,0,0,0|1,0,1]=3 1631 B12R1.194 C#CC(C)(C)Nc1ccccc1 34a_100000106764_100000038118 [0,1,0,0,0,0|2,0,1]=4 1632 B12R1.194 C#CC(C)(C)Oc1ccccc1 34a_100000210340_100000038118 [0,1,0,0,0,0|2,0,1]=4 1633 B12R1.194 C#CC(C)(C)Sc1ccccc1 62a_100000038118_100000041952 [0,1,0,0,0,0|2,0,1]=4 1634 B12R1.194 C#CC(C)(C)Sc1ccccc1 62a_100000719477_100000038118 [0,1,0,0,0,0|2,0,1]=4 1635 B12R1.194 CC(C)(C#N)Nc1ccccc1 34a_100000106764_100011162410 [0,1,0,0,0,0|3,0,0]=4 1636 B12R1.194 CC(C)(C#N)Oc1ccccc1 34a_100000210340_100011162410 [0,1,0,0,0,0|3,0,0]=4 1637 B12R1.194 CC(C)(C#N)Oc1ccccc1 7a_100000210340_100011162410 [0,1,0,0,0,0|3,0,0]=4 1638 B12R1.194 CC(C)(C#N)Sc1ccccc1 62a_100000719477_100011162410 [0,1,0,0,0,0|3,0,0]=4 1639 B12R1.194 CC(C)(C#N)Sc1ccccc1 62a_100011162410_100000041952 [0,1,0,0,0,0|3,0,0]=4 1640 B12R1.194 CC(C)(Cc1ccccc1)O[13CH3] 7a_100011215222_200025704644 [0,1,0,0,0,0|1,0,0]=2 1641 B12R1.194 CCC(C)(C)Oc1ccccc1 7a_100000210340_100000210677 [0,1,0,0,0,0|2,0,0]=3 1642 B12R1.194 CCC(C)(C)Oc1cccnc1 7a_100000210849_100000210677 [0,1,0,0,0,0|3,0,0]=4 1643 B12R1.194 CCC(C)(C)Sc1ccccc1 62a_100000032637_100000041952 [0,1,0,0,0,0|2,0,0]=3 1644 B12R1.194 CCC(C)(C)Sc1ccccc1 62a_100000719477_100000032637 [0,1,0,0,0,0|2,0,0]=3 1645 B12R1.194 CCC(C)(C)Sc1ccccn1 62a_100000032637_100011216584 [0,1,0,0,0,0|3,0,0]=4 1646 B12R1.194 CCC(C)(C)Sc1ccccn1 62a_100011216584_100000032637 [0,1,0,0,0,0|3,0,0]=4 1647 B12R1.194 CCC(C)(C)Sc1cccnc1 62a_100000032637_100000210063 [0,1,0,0,0,0|3,0,0]=4 1648 B12R1.194 CCC(C)(C)Sc1cccnc1 62a_100000210063_100000032637 [0,1,0,0,0,0|3,0,0]=4 1649 B12R1.194 CCC(C)(C)Sc1ccncc1 62a_100000032637_100000728582 [0,1,0,0,0,0|3,0,0]=4 1650 B12R1.194 CCC(C)(C)Sc1ccncc1 62a_100000728582_100000032637 [0,1,0,0,0,0|3,0,0]=4 1651 B12R1.194 CNC(F)(F)Oc1ccccc1 7a_106832991635_200000057402 [0,1,0,0,0,0|2,0,0]=3 1652 B12R1.194 CNS(=O)(=O)Cc1ccccc1 270084a_100102657272_100000211737 [0,1,0,0,0,0|2,0,0]=3 1653 B12R1.194 CNS(=O)(=O)Cc1ccccc1 274078a_100102657272_100000211737 [0,1,0,0,0,0|2,0,0]=3 1654 B12R1.194 CNS(=O)(=O)Cc1ccccc1 40a_100102657272_100000235865 [0,1,0,0,0,0|2,0,0]=3 1655 B12R1.194 COC(C)(C)Cc1ccccc1 7a_100011215222_200000210301 [0,1,0,0,0,0|1,0,0]=2 1656 B12R1.194 CSC(F)(F)Oc1ccccc1 62a_200000057402_200000210301 [0,1,0,0,0,0|3,0,0]=4 1657 B12R1.194 CSC(F)(F)Oc1ccccc1 62a_200000210301_200000057402 [0,1,0,0,0,0|3,0,0]=4 1658 B12R1.194 [13CH3]SC(F)(F)Oc1ccccc1 62a_200000057402_200025704644 [0,1,0,0,0,0|3,0,0]=4 1659 B12R1.194 [13CH3]SC(F)(F)Oc1ccccc1 62a_200025704644_200000057402 [0,1,0,0,0,0|3,0,0]=4 1660 B12R1.371 C#CC(C)Nc1ccccc1Br 34a_100000210017_200000035995 [0,1,0,0,0,0|2,0,1]=4 1661 B12R1.371 C#CC(C)Nc1ccccc1C 34a_100015192222_200000035995 [0,1,0,0,0,0|2,0,1]=4 1662 B12R1.371 C#CC(C)Nc1ccccc1Cl 34a_100000185783_200000035995 [0,1,0,0,0,0|2,0,1]=4 1663 B12R1.371 C#CC(C)Nc1ccccc1F 34a_100000210422_200000035995 [0,1,0,0,0,0|2,0,1]=4 1664 B12R1.371 C#CC(C)Nc1ccccc1I 34a_100000210053_200000035995 [0,1,0,0,0,0|2,0,1]=4 1665 B12R1.371 C#CC(C)Nc1ccccc1O 34a_100000185747_200000035995 [0,1,0,0,0,0|2,0,1]=4 1666 B12R1.371 C#CC(C)Oc1ccccc1Br 34a_100000181306_200000035995 [0,1,0,0,0,0|2,0,1]=4 1667 B12R1.371 C#CC(C)Oc1ccccc1C 34a_100000210338_200000035995 [0,1,0,0,0,0|2,0,1]=4 1668 B12R1.371 C#CC(C)Oc1ccccc1Cl 34a_100000210172_200000035995 [0,1,0,0,0,0|2,0,1]=4 1669 B12R1.371 C#CC(C)Oc1ccccc1F 34a_100000210171_200000035995 [0,1,0,0,0,0|2,0,1]=4 1670 B12R1.371 C#CC(C)Oc1ccccc1I 34a_100000739446_200000035995 [0,1,0,0,0,0|2,0,1]=4 1671 B12R1.371 C#CC(C)Oc1ccccc1N 34a_100000185747_200000035995 [0,1,0,0,0,0|2,0,1]=4 1672 B12R1.371 C#CC(C)Sc1ccccc1Br 62a_200000035995_100000695589 [0,1,0,0,0,0|2,0,1]=4 1673 B12R1.371 C#CC(C)Sc1ccccc1C 62a_200000035995_100000210755 [0,1,0,0,0,0|2,0,1]=4 1674 B12R1.371 C#CC(C)Sc1ccccc1Cl 62a_200000035995_100000764095 [0,1,0,0,0,0|2,0,1]=4 1675 B12R1.371 C#CC(C)Sc1ccccc1F 62a_200000035995_100011215700 [0,1,0,0,0,0|2,0,1]=4 1676 B12R1.371 C#CC(C)Sc1ccccc1N 62a_200000035995_100000210017 [0,1,0,0,0,0|2,0,1]=4 1677 B12R1.371 C#CC(C)Sc1ccccc1O 62a_200000035995_100000739446 [0,1,0,0,0,0|2,0,1]=4 1678 B12R1.371 C=CC(C)Sc1ccccc1Br 62a_100011215867_100000695589 [0,1,0,0,0,0|2,0,1]=4 1679 B12R1.371 C=CC(C)Sc1ccccc1C 62a_100011215867_100000210755 [0,1,0,0,0,0|2,0,1]=4 1680 B12R1.371 C=CC(C)Sc1ccccc1Cl 62a_100011215867_100000764095 [0,1,0,0,0,0|2,0,1]=4 1681 B12R1.371 C=CC(C)Sc1ccccc1F 62a_100011215867_100011215700 [0,1,0,0,0,0|2,0,1]=4 1682 B12R1.371 C=CC(C)Sc1ccccc1N 62a_100011215867_100000210017 [0,1,0,0,0,0|2,0,1]=4 1683 B12R1.371 C=CC(C)Sc1ccccc1O 62a_100011215867_100000739446 [0,1,0,0,0,0|2,0,1]=4 1684 B12R1.371 CC(C#N)Oc1ccccc1Br 7a_100000181306_100000703298 [0,1,0,0,0,0|3,0,0]=4 1685 B12R1.371 CC(C#N)Oc1ccccc1Cl 7a_100000210172_100000703298 [0,1,0,0,0,0|3,0,0]=4 1686 B12R1.371 CC(C#N)Oc1ccccc1F 7a_100000210171_100000703298 [0,1,0,0,0,0|3,0,0]=4 1687 B12R1.371 CC(C#N)Oc1ccccc1I 7a_100000739446_100000703298 [0,1,0,0,0,0|3,0,0]=4 1688 B12R1.371 CC(C#N)Oc1ccccc1N 7a_100000185747_100000703298 [0,1,0,0,0,0|3,0,0]=4 1689 B12R1.371 CC(C#N)Sc1ccccc1Br 62a_100000695589_100000703298 [0,1,0,0,0,0|3,0,0]=4 1690 B12R1.371 CC(C#N)Sc1ccccc1Br 62a_100000703298_100000695589 [0,1,0,0,0,0|3,0,0]=4 1691 B12R1.371 CC(C#N)Sc1ccccc1Cl 62a_100000703298_100000764095 [0,1,0,0,0,0|3,0,0]=4 1692 B12R1.371 CC(C#N)Sc1ccccc1Cl 62a_100000764095_100000703298 [0,1,0,0,0,0|3,0,0]=4 1693 B12R1.371 CC(C#N)Sc1ccccc1F 62a_100000703298_100011215700 [0,1,0,0,0,0|3,0,0]=4 1694 B12R1.371 CC(C#N)Sc1ccccc1F 62a_100011215700_100000703298 [0,1,0,0,0,0|3,0,0]=4 1695 B12R1.371 CC(C#N)Sc1ccccc1N 62a_100000210017_100000703298 [0,1,0,0,0,0|3,0,0]=4 1696 B12R1.371 CC(C#N)Sc1ccccc1N 62a_100000703298_100000210017 [0,1,0,0,0,0|3,0,0]=4 1697 B12R1.371 CC(C#N)Sc1ccccc1O 62a_100000703298_100000739446 [0,1,0,0,0,0|3,0,0]=4 1698 B12R1.371 CC(C#N)Sc1ccccc1O 62a_100000739446_100000703298 [0,1,0,0,0,0|3,0,0]=4 1699 B12R1.371 CC(CO)Nc1ccccc1Br 34a_100000210017_100012180447 [0,1,0,0,0,0|3,0,0]=4 1700 B12R1.371 CC(CO)Nc1ccccc1Cl 34a_100000185783_100012180447 [0,1,0,0,0,0|3,0,0]=4 1701 B12R1.371 CC(CO)Nc1ccccc1F 34a_100000210422_100012180447 [0,1,0,0,0,0|3,0,0]=4 1702 B12R1.371 CC(CO)Nc1ccccc1I 34a_100000210053_100012180447 [0,1,0,0,0,0|3,0,0]=4 1703 B12R1.371 CC(CO)Nc1ccccc1O 34a_100000185747_100012180447 [0,1,0,0,0,0|3,0,0]=4 1704 B12R1.371 CC(CO)Oc1ccccc1Br 34a_100000181306_100012180447 [0,1,0,0,0,0|3,0,0]=4 1705 B12R1.371 CC(CO)Oc1ccccc1Br 7a_100000181306_100012180447 [0,1,0,0,0,0|3,0,0]=4 1706 B12R1.371 CC(CO)Oc1ccccc1Cl 34a_100000210172_100012180447 [0,1,0,0,0,0|3,0,0]=4 1707 B12R1.371 CC(CO)Oc1ccccc1Cl 7a_100000210172_100012180447 [0,1,0,0,0,0|3,0,0]=4 1708 B12R1.371 CC(CO)Oc1ccccc1F 34a_100000210171_100012180447 [0,1,0,0,0,0|3,0,0]=4 1709 B12R1.371 CC(CO)Oc1ccccc1F 7a_100000210171_100012180447 [0,1,0,0,0,0|3,0,0]=4 1710 B12R1.371 CC(CO)Oc1ccccc1I 34a_100000739446_100012180447 [0,1,0,0,0,0|3,0,0]=4 1711 B12R1.371 CC(CO)Oc1ccccc1I 7a_100000739446_100012180447 [0,1,0,0,0,0|3,0,0]=4 1712 B12R1.371 CC(CO)Oc1ccccc1N 34a_100000185747_100012180447 [0,1,0,0,0,0|3,0,0]=4 1713 B12R1.371 CC(CO)Oc1ccccc1N 7a_100000185747_100012180447 [0,1,0,0,0,0|3,0,0]=4 1714 B12R1.371 CC(CO)Sc1ccccc1Br 62a_100012180447_100000695589 [0,1,0,0,0,0|3,0,0]=4 1715 B12R1.371 CC(CO)Sc1ccccc1Cl 62a_100012180447_100000764095 [0,1,0,0,0,0|3,0,0]=4 1716 B12R1.371 CC(CO)Sc1ccccc1F 62a_100012180447_100011215700 [0,1,0,0,0,0|3,0,0]=4 1717 B12R1.371 CC(CO)Sc1ccccc1N 62a_100012180447_100000210017 [0,1,0,0,0,0|3,0,0]=4 1718 B12R1.371 CC(CO)Sc1ccccc1O 62a_100012180447_100000739446 [0,1,0,0,0,0|3,0,0]=4 1719 B12R1.371 CCC(=O)Cc1ccccc1Br 1458a_100000210414_100000184730 [0,1,0,0,0,0|2,0,1]=4 1720 B12R1.371 CCC(=O)Cc1ccccc1Br 1458a_100000751119_100000210202 [0,1,0,0,0,0|2,0,1]=4 1721 B12R1.371 CCC(=O)Cc1ccccc1C 1458a_100000210414_100000211839 [0,1,0,0,0,0|2,0,1]=4 1722 B12R1.371 CCC(=O)Cc1ccccc1C 1458a_100000212180_100000210202 [0,1,0,0,0,0|2,0,1]=4 1723 B12R1.371 CCC(=O)Cc1ccccc1Cl 1458a_100000183793_100000210202 [0,1,0,0,0,0|2,0,1]=4 1724 B12R1.371 CCC(=O)Cc1ccccc1Cl 1458a_100000210414_100000187162 [0,1,0,0,0,0|2,0,1]=4 1725 B12R1.371 CCC(=O)Cc1ccccc1F 1458a_100000210414_100000187165 [0,1,0,0,0,0|2,0,1]=4 1726 B12R1.371 CCC(=O)Cc1ccccc1F 1458a_100000212012_100000210202 [0,1,0,0,0,0|2,0,1]=4 1727 B12R1.371 CCC(=O)Cc1ccccc1I 1458a_100000036491_100000210202 [0,1,0,0,0,0|2,0,1]=4 1728 B12R1.371 CCC(=O)Cc1ccccc1I 1458a_100000210414_100011216222 [0,1,0,0,0,0|2,0,1]=4 1729 B12R1.371 CCC(=O)Cc1ccccc1O 1458a_100000743006_100000210202 [0,1,0,0,0,0|2,0,1]=4 1730 B12R1.371 CCC(C)Nc1ccccc1Br 34a_100000210017_100011215416 [0,1,0,0,0,0|2,0,0]=3 1731 B12R1.371 CCC(C)Nc1ccccc1C 34a_100015192222_100011215416 [0,1,0,0,0,0|2,0,0]=3 1732 B12R1.371 CCC(C)Nc1ccccc1Cl 34a_100000185783_100011215416 [0,1,0,0,0,0|2,0,0]=3 1733 B12R1.371 CCC(C)Nc1ccccc1F 34a_100000210422_100011215416 [0,1,0,0,0,0|2,0,0]=3 1734 B12R1.371 CCC(C)Nc1ccccc1I 34a_100000210053_100011215416 [0,1,0,0,0,0|2,0,0]=3 1735 B12R1.371 CCC(C)Nc1ccccc1O 34a_100000185747_100011215416 [0,1,0,0,0,0|2,0,0]=3 1736 B12R1.371 CCC(C)Oc1cccc[n+]1[O-] 7a_100000211761_100000758301 [0,1,0,0,0,0|3,0,0]=4 1737 B12R1.371 CCC(C)Oc1ccccc1Br 34a_100000181306_100011215416 [0,1,0,0,0,0|2,0,0]=3 1738 B12R1.371 CCC(C)Oc1ccccc1Br 7a_100000181306_100000758301 [0,1,0,0,0,0|2,0,0]=3 1739 B12R1.371 CCC(C)Oc1ccccc1C 34a_100000210338_100011215416 [0,1,0,0,0,0|2,0,0]=3 1740 B12R1.371 CCC(C)Oc1ccccc1C 7a_100000210338_100000758301 [0,1,0,0,0,0|2,0,0]=3 1741 B12R1.371 CCC(C)Oc1ccccc1Cl 34a_100000210172_100011215416 [0,1,0,0,0,0|2,0,0]=3 1742 B12R1.371 CCC(C)Oc1ccccc1Cl 7a_100000210172_100000758301 [0,1,0,0,0,0|2,0,0]=3 1743 B12R1.371 CCC(C)Oc1ccccc1F 34a_100000210171_100011215416 [0,1,0,0,0,0|2,0,0]=3 1744 B12R1.371 CCC(C)Oc1ccccc1F 7a_100000210171_100000758301 [0,1,0,0,0,0|2,0,0]=3 1745 B12R1.371 CCC(C)Oc1ccccc1I 34a_100000739446_100011215416 [0,1,0,0,0,0|2,0,0]=3 1746 B12R1.371 CCC(C)Oc1ccccc1I 7a_100000739446_100000758301 [0,1,0,0,0,0|2,0,0]=3 1747 B12R1.371 CCC(C)Oc1ccccc1N 34a_100000185747_100011215416 [0,1,0,0,0,0|2,0,0]=3 1748 B12R1.371 CCC(C)Oc1ccccc1N 7a_100000185747_100000758301 [0,1,0,0,0,0|2,0,0]=3 1749 B12R1.371 CCC(C)Oc1cccnc1Br 34a_100000744436_100011215416 [0,1,0,0,0,0|3,0,0]=4 1750 B12R1.371 CCC(C)Oc1cccnc1Br 7a_100000744436_100000758301 [0,1,0,0,0,0|3,0,0]=4 1751 B12R1.371 CCC(C)Oc1cccnc1C 34a_100000745507_100011215416 [0,1,0,0,0,0|3,0,0]=4 1752 B12R1.371 CCC(C)Oc1cccnc1C 7a_100000745507_100000758301 [0,1,0,0,0,0|3,0,0]=4 1753 B12R1.371 CCC(C)Oc1cccnc1Cl 34a_100000757616_100011215416 [0,1,0,0,0,0|3,0,0]=4 1754 B12R1.371 CCC(C)Oc1cccnc1Cl 7a_100000757616_100000758301 [0,1,0,0,0,0|3,0,0]=4 1755 B12R1.371 CCC(C)Oc1cccnc1F 34a_100000061740_100011215416 [0,1,0,0,0,0|3,0,0]=4 1756 B12R1.371 CCC(C)Oc1cccnc1F 7a_100000061740_100000758301 [0,1,0,0,0,0|3,0,0]=4 1757 B12R1.371 CCC(C)Oc1cccnc1I 34a_100000034122_100011215416 [0,1,0,0,0,0|3,0,0]=4 1758 B12R1.371 CCC(C)Oc1cccnc1I 7a_100000034122_100000758301 [0,1,0,0,0,0|3,0,0]=4 1759 B12R1.371 CCC(C)Oc1cccnc1N 34a_100000211975_100011215416 [0,1,0,0,0,0|3,0,0]=4 1760 B12R1.371 CCC(C)Oc1cccnc1N 7a_100000211975_100000758301 [0,1,0,0,0,0|3,0,0]=4 1761 B12R1.371 CCC(C)Oc1cccoc1=O 34a_100000077404_100011215416 [0,1,0,0,0,0|3,0,0]=4 1762 B12R1.371 CCC(C)Oc1cccoc1=O 7a_100000077404_100000758301 [0,1,0,0,0,0|3,0,0]=4 1763 B12R1.371 CCC(C)Oc1ccncc1Br 34a_100011996408_100011215416 [0,1,0,0,0,0|3,0,0]=4 1764 B12R1.371 CCC(C)Oc1ccncc1C 34a_100000694293_100011215416 [0,1,0,0,0,0|3,0,0]=4 1765 B12R1.371 CCC(C)Oc1ccncc1Cl 34a_100011997054_100011215416 [0,1,0,0,0,0|3,0,0]=4 1766 B12R1.371 CCC(C)Oc1ccncc1F 34a_200000081243_100011215416 [0,1,0,0,0,0|3,0,0]=4 1767 B12R1.371 CCC(C)Oc1cnccc1C 34a_100011997053_100011215416 [0,1,0,0,0,0|3,0,0]=4 1768 B12R1.371 CCC(C)Oc1cnccc1C 7a_100011997053_100000758301 [0,1,0,0,0,0|3,0,0]=4 1769 B12R1.371 CCC(C)Oc1cnccc1Cl 34a_100011996695_100011215416 [0,1,0,0,0,0|3,0,0]=4 1770 B12R1.371 CCC(C)Oc1cnccc1I 34a_100000050107_100011215416 [0,1,0,0,0,0|3,0,0]=4 1771 B12R1.371 CCC(C)Oc1cnccc1N 34a_100000753702_100011215416 [0,1,0,0,0,0|3,0,0]=4 1772 B12R1.371 CCC(C)Oc1coccc1=O 34a_100000060831_100011215416 [0,1,0,0,0,0|3,0,0]=4 1773 B12R1.371 CCC(C)Oc1ncccc1Cl 34a_100011290957_100011215416 [0,1,0,0,0,0|3,0,0]=4 1774 B12R1.371 CCC(C)Oc1ncccc1F 34a_100011219419_100011215416 [0,1,0,0,0,0|3,0,0]=4 1775 B12R1.371 CCC(C)Oc1ncccc1N 34a_100000746358_100011215416 [0,1,0,0,0,0|3,0,0]=4 1776 B12R1.371 CCC(C)Sc1c[nH]ccc1=O 62a_100000758301_100009998708 [0,1,0,0,0,0|3,0,0]=4 1777 B12R1.371 CCC(C)Sc1c[nH]ccc1=O 62a_100009998708_100000758301 [0,1,0,0,0,0|3,0,0]=4 1778 B12R1.371 CCC(C)Sc1c[nH]ccc1=S 62a_100000758301_200012280681 [0,1,0,0,0,0|3,0,0]=4 1779 B12R1.371 CCC(C)Sc1c[nH]ccc1=S 62a_200012280681_100000758301 [0,1,0,0,0,0|3,0,0]=4 1780 B12R1.371 CCC(C)Sc1cccc[n+]1C 62a_100000758301_100000212160 [0,1,0,0,0,0|3,0,0]=4 1781 B12R1.371 CCC(C)Sc1cccc[n+]1[O-] 62a_100000758301_200000042595 [0,1,0,0,0,0|3,0,0]=4 1782 B12R1.371 CCC(C)Sc1ccccc1Br 62a_100000695589_100000758301 [0,1,0,0,0,0|2,0,0]=3 1783 B12R1.371 CCC(C)Sc1ccccc1Br 62a_100000758301_100000695589 [0,1,0,0,0,0|2,0,0]=3 1784 B12R1.371 CCC(C)Sc1ccccc1C 62a_100000210755_100000758301 [0,1,0,0,0,0|2,0,0]=3 1785 B12R1.371 CCC(C)Sc1ccccc1C 62a_100000758301_100000210755 [0,1,0,0,0,0|2,0,0]=3 1786 B12R1.371 CCC(C)Sc1ccccc1Cl 62a_100000758301_100000764095 [0,1,0,0,0,0|2,0,0]=3 1787 B12R1.371 CCC(C)Sc1ccccc1Cl 62a_100000764095_100000758301 [0,1,0,0,0,0|2,0,0]=3 1788 B12R1.371 CCC(C)Sc1ccccc1F 62a_100000758301_100011215700 [0,1,0,0,0,0|2,0,0]=3 1789 B12R1.371 CCC(C)Sc1ccccc1F 62a_100011215700_100000758301 [0,1,0,0,0,0|2,0,0]=3 1790 B12R1.371 CCC(C)Sc1ccccc1N 62a_100000210017_100000758301 [0,1,0,0,0,0|2,0,0]=3 1791 B12R1.371 CCC(C)Sc1ccccc1N 62a_100000758301_100000210017 [0,1,0,0,0,0|2,0,0]=3 1792 B12R1.371 CCC(C)Sc1ccccc1O 62a_100000739446_100000758301 [0,1,0,0,0,0|2,0,0]=3 1793 B12R1.371 CCC(C)Sc1ccccc1O 62a_100000758301_100000739446 [0,1,0,0,0,0|2,0,0]=3 1794 B12R1.371 CCC(C)Sc1cccnc1Br 62a_100000758301_100010202626 [0,1,0,0,0,0|3,0,0]=4 1795 B12R1.371 CCC(C)Sc1cccnc1Br 62a_100010202626_100000758301 [0,1,0,0,0,0|3,0,0]=4 1796 B12R1.371 CCC(C)Sc1cccnc1C 62a_100000751574_100000758301 [0,1,0,0,0,0|3,0,0]=4 1797 B12R1.371 CCC(C)Sc1cccnc1C 62a_100000758301_100000751574 [0,1,0,0,0,0|3,0,0]=4 1798 B12R1.371 CCC(C)Sc1cccnc1Cl 62a_100000036424_100000758301 [0,1,0,0,0,0|3,0,0]=4 1799 B12R1.371 CCC(C)Sc1cccnc1Cl 62a_100000758301_100000036424 [0,1,0,0,0,0|3,0,0]=4 1800 B12R1.371 CCC(C)Sc1cccnc1F 62a_100000758301_100009816115 [0,1,0,0,0,0|3,0,0]=4 1801 B12R1.371 CCC(C)Sc1cccnc1F 62a_100009816115_100000758301 [0,1,0,0,0,0|3,0,0]=4 1802 B12R1.371 CCC(C)Sc1cccnc1N 62a_100000045569_100000758301 [0,1,0,0,0,0|3,0,0]=4 1803 B12R1.371 CCC(C)Sc1cccnc1N 62a_100000758301_100000045569 [0,1,0,0,0,0|3,0,0]=4 1804 B12R1.371 CCC(C)Sc1cccnc1O 62a_100000758301_100000760158 [0,1,0,0,0,0|3,0,0]=4 1805 B12R1.371 CCC(C)Sc1cccnc1O 62a_100000760158_100000758301 [0,1,0,0,0,0|3,0,0]=4 1806 B12R1.371 CCC(C)Sc1ccncc1Br 62a_100000726257_100000758301 [0,1,0,0,0,0|3,0,0]=4 1807 B12R1.371 CCC(C)Sc1ccncc1Br 62a_100000758301_100000726257 [0,1,0,0,0,0|3,0,0]=4 1808 B12R1.371 CCC(C)Sc1ccncc1C 62a_100000758301_100000765111 [0,1,0,0,0,0|3,0,0]=4 1809 B12R1.371 CCC(C)Sc1ccncc1C 62a_100000765111_100000758301 [0,1,0,0,0,0|3,0,0]=4 1810 B12R1.371 CCC(C)Sc1ccncc1Cl 62a_100000708259_100000758301 [0,1,0,0,0,0|3,0,0]=4 1811 B12R1.371 CCC(C)Sc1ccncc1Cl 62a_100000758301_100000708259 [0,1,0,0,0,0|3,0,0]=4 1812 B12R1.371 CCC(C)Sc1ccncc1F 62a_100000047030_100000758301 [0,1,0,0,0,0|3,0,0]=4 1813 B12R1.371 CCC(C)Sc1ccncc1F 62a_100000758301_100000047030 [0,1,0,0,0,0|3,0,0]=4 1814 B12R1.371 CCC(C)Sc1ccncc1N 62a_100000756074_100000758301 [0,1,0,0,0,0|3,0,0]=4 1815 B12R1.371 CCC(C)Sc1ccncc1N 62a_100000758301_100000756074 [0,1,0,0,0,0|3,0,0]=4 1816 B12R1.371 CCC(C)Sc1ccncc1O 62a_100000758301_100009817591 [0,1,0,0,0,0|3,0,0]=4 1817 B12R1.371 CCC(C)Sc1ccncc1O 62a_100009817591_100000758301 [0,1,0,0,0,0|3,0,0]=4 1818 B12R1.371 CCC(C)Sc1cnccc1Br 62a_100000758301_100010138639 [0,1,0,0,0,0|3,0,0]=4 1819 B12R1.371 CCC(C)Sc1cnccc1Br 62a_100010138639_100000758301 [0,1,0,0,0,0|3,0,0]=4 1820 B12R1.371 CCC(C)Sc1cnccc1C 62a_100000758301_100000761580 [0,1,0,0,0,0|3,0,0]=4 1821 B12R1.371 CCC(C)Sc1cnccc1C 62a_100000761580_100000758301 [0,1,0,0,0,0|3,0,0]=4 1822 B12R1.371 CCC(C)Sc1cnccc1Cl 62a_100000758301_100009995489 [0,1,0,0,0,0|3,0,0]=4 1823 B12R1.371 CCC(C)Sc1cnccc1Cl 62a_100009995489_100000758301 [0,1,0,0,0,0|3,0,0]=4 1824 B12R1.371 CCC(C)Sc1cnccc1F 62a_100000758301_100009820683 [0,1,0,0,0,0|3,0,0]=4 1825 B12R1.371 CCC(C)Sc1cnccc1F 62a_100009820683_100000758301 [0,1,0,0,0,0|3,0,0]=4 1826 B12R1.371 CCC(C)Sc1cnccc1N 62a_100000047001_100000758301 [0,1,0,0,0,0|3,0,0]=4 1827 B12R1.371 CCC(C)Sc1cnccc1N 62a_100000758301_100000047001 [0,1,0,0,0,0|3,0,0]=4 1828 B12R1.371 CCC(C)Sc1ncccc1Br 62a_100000696092_100000758301 [0,1,0,0,0,0|3,0,0]=4 1829 B12R1.371 CCC(C)Sc1ncccc1Br 62a_100000758301_100000696092 [0,1,0,0,0,0|3,0,0]=4 1830 B12R1.371 CCC(C)Sc1ncccc1C 62a_100000751373_100000758301 [0,1,0,0,0,0|3,0,0]=4 1831 B12R1.371 CCC(C)Sc1ncccc1C 62a_100000758301_100000751373 [0,1,0,0,0,0|3,0,0]=4 1832 B12R1.371 CCC(C)Sc1ncccc1Cl 62a_100000758301_100011356963 [0,1,0,0,0,0|3,0,0]=4 1833 B12R1.371 CCC(C)Sc1ncccc1Cl 62a_100011356963_100000758301 [0,1,0,0,0,0|3,0,0]=4 1834 B12R1.371 CCC(C)Sc1ncccc1F 62a_100000685392_100000758301 [0,1,0,0,0,0|3,0,0]=4 1835 B12R1.371 CCC(C)Sc1ncccc1F 62a_100000758301_100000685392 [0,1,0,0,0,0|3,0,0]=4 1836 B12R1.371 CCC(C)Sc1ncccc1N 62a_100000688686_100000758301 [0,1,0,0,0,0|3,0,0]=4 1837 B12R1.371 CCC(C)Sc1ncccc1N 62a_100000758301_100000688686 [0,1,0,0,0,0|3,0,0]=4 1838 B12R1.371 CCC(C)Sc1ncccc1O 62a_100000034122_100000758301 [0,1,0,0,0,0|3,0,0]=4 1839 B12R1.371 CCC(C)Sc1ncccc1O 62a_100000758301_100000034122 [0,1,0,0,0,0|3,0,0]=4 1840 B12R1.371 CCN(C)Cc1ccccc1Br 2230a_100000184654_100000210202 [0,1,0,0,0,0|2,0,0]=3 1841 B12R1.371 CCN(C)Cc1ccccc1Br 2230a_100000225621_100000184730 [0,1,0,0,0,0|2,0,0]=3 1842 B12R1.371 CCN(C)Cc1ccccc1Br 269982a_100000184654_100000204670 [0,1,0,0,0,0|2,0,0]=3 1843 B12R1.371 CCN(C)Cc1ccccc1Br 269982a_100000225621_100000184730 [0,1,0,0,0,0|2,0,0]=3 1844 B12R1.371 CCN(C)Cc1ccccc1Br 26a_100000225621_100000181306 [0,1,0,0,0,0|2,0,0]=3 1845 B12R1.371 CCN(C)Cc1ccccc1C 2230a_100000184421_100000210202 [0,1,0,0,0,0|2,0,0]=3 1846 B12R1.371 CCN(C)Cc1ccccc1C 2230a_100000201206_200000210301 [0,1,0,0,0,0|2,0,0]=3 1847 B12R1.371 CCN(C)Cc1ccccc1C 2230a_100000225621_100000211839 [0,1,0,0,0,0|2,0,0]=3 1848 B12R1.371 CCN(C)Cc1ccccc1C 269982a_100000184421_100000204670 [0,1,0,0,0,0|2,0,0]=3 1849 B12R1.371 CCN(C)Cc1ccccc1C 269982a_100000201206_200000210301 [0,1,0,0,0,0|2,0,0]=3 1850 B12R1.371 CCN(C)Cc1ccccc1C 269982a_100000225621_100000211839 [0,1,0,0,0,0|2,0,0]=3 1851 B12R1.371 CCN(C)Cc1ccccc1Cl 2230a_100000184507_100000210202 [0,1,0,0,0,0|2,0,0]=3 1852 B12R1.371 CCN(C)Cc1ccccc1Cl 2230a_100000201176_200000210301 [0,1,0,0,0,0|2,0,0]=3 1853 B12R1.371 CCN(C)Cc1ccccc1Cl 2230a_100000225621_100000187162 [0,1,0,0,0,0|2,0,0]=3 1854 B12R1.371 CCN(C)Cc1ccccc1Cl 269982a_100000184507_100000204670 [0,1,0,0,0,0|2,0,0]=3 1855 B12R1.371 CCN(C)Cc1ccccc1Cl 269982a_100000201176_200000210301 [0,1,0,0,0,0|2,0,0]=3 1856 B12R1.371 CCN(C)Cc1ccccc1Cl 269982a_100000225621_100000187162 [0,1,0,0,0,0|2,0,0]=3 1857 B12R1.371 CCN(C)Cc1ccccc1Cl 26a_100000225621_100000210172 [0,1,0,0,0,0|2,0,0]=3 1858 B12R1.371 CCN(C)Cc1ccccc1F 2230a_100000225621_100000211605 [0,1,0,0,0,0|2,0,0]=3 1859 B12R1.371 CCN(C)Cc1ccccc1F 2230a_100000742528_100000210202 [0,1,0,0,0,0|2,0,0]=3 1860 B12R1.371 CCN(C)Cc1ccccc1F 2230a_100015186831_200000210301 [0,1,0,0,0,0|2,0,0]=3 1861 B12R1.371 CCN(C)Cc1ccccc1F 269982a_100000225621_100000211605 [0,1,0,0,0,0|2,0,0]=3 1862 B12R1.371 CCN(C)Cc1ccccc1F 269982a_100000742528_100000204670 [0,1,0,0,0,0|2,0,0]=3 1863 B12R1.371 CCN(C)Cc1ccccc1F 269982a_100015186831_200000210301 [0,1,0,0,0,0|2,0,0]=3 1864 B12R1.371 CCN(C)Cc1ccccc1F 34a_100000742528_100000210202 [0,1,0,0,0,0|2,0,0]=3 1865 B12R1.371 CCN(C)Cc1ccccc1F 34a_100015186831_200000210301 [0,1,0,0,0,0|2,0,0]=3 1866 B12R1.371 CCN(C)Cc1ccccc1I 2230a_100000225621_100011215278 [0,1,0,0,0,0|2,0,0]=3 1867 B12R1.371 CCN(C)Cc1ccccc1I 269982a_100000225621_100011215278 [0,1,0,0,0,0|2,0,0]=3 1868 B12R1.371 CCN(C)Cc1ccccc1O 2230a_100011223546_200000210301 [0,1,0,0,0,0|2,0,0]=3 1869 B12R1.371 CCN(C)Cc1ccccc1O 2230a_100015189988_100000210202 [0,1,0,0,0,0|2,0,0]=3 1870 B12R1.371 CCN(C)Cc1ccccc1O 269982a_100011223546_200000210301 [0,1,0,0,0,0|2,0,0]=3 1871 B12R1.371 CCN(C)Cc1ccccc1O 269982a_100015189988_100000204670 [0,1,0,0,0,0|2,0,0]=3 1872 B12R1.371 CCN(C)Cc1cccnc1Br 2230a_100000225621_100010140945 [0,1,0,0,0,0|3,0,0]=4 1873 B12R1.371 CCN(C)Cc1cccnc1Br 269982a_100000225621_100010140945 [0,1,0,0,0,0|3,0,0]=4 1874 B12R1.371 CCN(C)Cc1cccnc1C 2230a_100000225621_100000732876 [0,1,0,0,0,0|3,0,0]=4 1875 B12R1.371 CCN(C)Cc1cccnc1C 2230a_200011875998_100000210202 [0,1,0,0,0,0|3,0,0]=4 1876 B12R1.371 CCN(C)Cc1cccnc1C 269982a_100000225621_100000732876 [0,1,0,0,0,0|3,0,0]=4 1877 B12R1.371 CCN(C)Cc1cccnc1C 269982a_200011875998_100000204670 [0,1,0,0,0,0|3,0,0]=4 1878 B12R1.371 CCN(C)Cc1cccnc1Cl 2230a_100000225621_100000045678 [0,1,0,0,0,0|3,0,0]=4 1879 B12R1.371 CCN(C)Cc1cccnc1Cl 2230a_103496529121_100000210202 [0,1,0,0,0,0|3,0,0]=4 1880 B12R1.371 CCN(C)Cc1cccnc1Cl 269982a_100000225621_100000045678 [0,1,0,0,0,0|3,0,0]=4 1881 B12R1.371 CCN(C)Cc1cccnc1Cl 269982a_103496529121_100000204670 [0,1,0,0,0,0|3,0,0]=4 1882 B12R1.371 CCN(C)Cc1cccnc1F 2230a_100000225621_100000099810 [0,1,0,0,0,0|3,0,0]=4 1883 B12R1.371 CCN(C)Cc1cccnc1F 269982a_100000225621_100000099810 [0,1,0,0,0,0|3,0,0]=4 1884 B12R1.371 CCN(C)Cc1ccncc1C 2230a_100000225621_100020672808 [0,1,0,0,0,0|3,0,0]=4 1885 B12R1.371 CCN(C)Cc1ccncc1C 2230a_100015187836_100000210202 [0,1,0,0,0,0|3,0,0]=4 1886 B12R1.371 CCN(C)Cc1ccncc1C 269982a_100000225621_100020672808 [0,1,0,0,0,0|3,0,0]=4 1887 B12R1.371 CCN(C)Cc1ccncc1C 269982a_100015187836_100000204670 [0,1,0,0,0,0|3,0,0]=4 1888 B12R1.371 CCN(C)Cc1ccncc1Cl 2230a_100000225621_100000763264 [0,1,0,0,0,0|3,0,0]=4 1889 B12R1.371 CCN(C)Cc1ccncc1Cl 269982a_100000225621_100000763264 [0,1,0,0,0,0|3,0,0]=4 1890 B12R1.371 CCN(C)Cc1cnccc1C 2230a_100000225621_100000690890 [0,1,0,0,0,0|3,0,0]=4 1891 B12R1.371 CCN(C)Cc1cnccc1C 269982a_100000225621_100000690890 [0,1,0,0,0,0|3,0,0]=4 1892 B12R1.371 CCN(C)Cc1ncccc1Br 2230a_100000225621_100025702911 [0,1,0,0,0,0|3,0,0]=4 1893 B12R1.371 CCN(C)Cc1ncccc1C 2230a_100000225621_100000696600 [0,1,0,0,0,0|3,0,0]=4 1894 B12R1.371 CCN(C)Cc1ncccc1C 269982a_100000225621_100000696600 [0,1,0,0,0,0|3,0,0]=4 1895 B12R1.371 CCN(C)Cc1ncccc1Cl 2230a_100000225621_100000099807 [0,1,0,0,0,0|3,0,0]=4 1896 B12R1.371 CCN(C)Cc1ncccc1Cl 269982a_100000225621_100000099807 [0,1,0,0,0,0|3,0,0]=4 1897 B12R1.371 CCN(C)Cc1ncccc1F 2230a_100000225621_100000104219 [0,1,0,0,0,0|3,0,0]=4 1898 B12R1.371 CCN(C)Cc1ncccc1F 269982a_100000225621_100000104219 [0,1,0,0,0,0|3,0,0]=4 1899 B12R1.371 CCN([13CH3])Cc1ccccc1C 2230a_100000201206_200025704644 [0,1,0,0,0,0|2,0,0]=3 1900 B12R1.371 CCN([13CH3])Cc1ccccc1C 269982a_100000201206_200025704644 [0,1,0,0,0,0|2,0,0]=3 1901 B12R1.371 CCN([13CH3])Cc1ccccc1Cl 2230a_100000201176_200025704644 [0,1,0,0,0,0|2,0,0]=3 1902 B12R1.371 CCN([13CH3])Cc1ccccc1Cl 269982a_100000201176_200025704644 [0,1,0,0,0,0|2,0,0]=3 1903 B12R1.371 CCN([13CH3])Cc1ccccc1F 2230a_100015186831_200025704644 [0,1,0,0,0,0|2,0,0]=3 1904 B12R1.371 CCN([13CH3])Cc1ccccc1F 269982a_100015186831_200025704644 [0,1,0,0,0,0|2,0,0]=3 1905 B12R1.371 CCN([13CH3])Cc1ccccc1F 34a_100015186831_200025704644 [0,1,0,0,0,0|2,0,0]=3 1906 B12R1.371 CCN([13CH3])Cc1ccccc1O 2230a_100011223546_200025704644 [0,1,0,0,0,0|2,0,0]=3 1907 B12R1.371 CCN([13CH3])Cc1ccccc1O 269982a_100011223546_200025704644 [0,1,0,0,0,0|2,0,0]=3 1908 B12R1.371 CN(CF)Cc1ccccc1Br 269982a_100000184654_100015361967 [0,1,0,0,0,0|3,0,0]=4 1909 B12R1.371 CN(CF)Cc1ccccc1Cl 269982a_100000184507_100015361967 [0,1,0,0,0,0|3,0,0]=4 1910 B12R1.371 CN(CF)Cc1ccccc1F 269982a_100000742528_100015361967 [0,1,0,0,0,0|3,0,0]=4 1911 B12R1.371 CN(CF)Cc1ccccc1F 34a_100000742528_100015361967 [0,1,0,0,0,0|3,0,0]=4 1912 B12R1.371 CN(CF)Cc1ccccc1O 269982a_100015189988_100015361967 [0,1,0,0,0,0|3,0,0]=4 1913 B12R1.371 CNC(=O)Cc1ccccc1Br 11a_106832991635_100000751119 [0,1,0,0,0,0|1,0,1]=3 1914 B12R1.371 CNC(=O)Cc1ccccc1Br 240690a_100102657272_100000751119 [0,1,0,0,0,0|1,0,1]=3 1915 B12R1.371 CNC(=O)Cc1ccccc1Br 527a_100102657272_100000751119 [0,1,0,0,0,0|1,0,1]=3 1916 B12R1.371 CNC(=O)Cc1ccccc1C 11a_106832991635_100000212180 [0,1,0,0,0,0|1,0,1]=3 1917 B12R1.371 CNC(=O)Cc1ccccc1C 1626a_100102657272_100000212180 [0,1,0,0,0,0|1,0,1]=3 1918 B12R1.371 CNC(=O)Cc1ccccc1C 240690a_100102657272_100000212180 [0,1,0,0,0,0|1,0,1]=3 1919 B12R1.371 CNC(=O)Cc1ccccc1C 527a_100102657272_100000212180 [0,1,0,0,0,0|1,0,1]=3 1920 B12R1.371 CNC(=O)Cc1ccccc1Cl 11a_106832991635_100000183793 [0,1,0,0,0,0|1,0,1]=3 1921 B12R1.371 CNC(=O)Cc1ccccc1Cl 1626a_100102657272_100000183793 [0,1,0,0,0,0|1,0,1]=3 1922 B12R1.371 CNC(=O)Cc1ccccc1Cl 240690a_100102657272_100000183793 [0,1,0,0,0,0|1,0,1]=3 1923 B12R1.371 CNC(=O)Cc1ccccc1Cl 527a_100102657272_100000183793 [0,1,0,0,0,0|1,0,1]=3 1924 B12R1.371 CNC(=O)Cc1ccccc1F 11a_106832991635_100000212012 [0,1,0,0,0,0|1,0,1]=3 1925 B12R1.371 CNC(=O)Cc1ccccc1F 1626a_100102657272_100000212012 [0,1,0,0,0,0|1,0,1]=3 1926 B12R1.371 CNC(=O)Cc1ccccc1F 240690a_100102657272_100000212012 [0,1,0,0,0,0|1,0,1]=3 1927 B12R1.371 CNC(=O)Cc1ccccc1F 527a_100102657272_100000212012 [0,1,0,0,0,0|1,0,1]=3 1928 B12R1.371 CNC(=O)Cc1ccccc1I 11a_106832991635_100000036491 [0,1,0,0,0,0|1,0,1]=3 1929 B12R1.371 CNC(=O)Cc1ccccc1I 1626a_100102657272_100000036491 [0,1,0,0,0,0|1,0,1]=3 1930 B12R1.371 CNC(=O)Cc1ccccc1I 240690a_100102657272_100000036491 [0,1,0,0,0,0|1,0,1]=3 1931 B12R1.371 CNC(=O)Cc1ccccc1I 527a_100102657272_100000036491 [0,1,0,0,0,0|1,0,1]=3 1932 B12R1.371 CNC(=O)Cc1ccccc1O 240690a_100102657272_100000743006 [0,1,0,0,0,0|1,0,1]=3 1933 B12R1.371 CNC(=O)Cc1ccccc1O 271570a_203496583355_200009816160 [0,1,0,0,0,0|1,0,1]=3 1934 B12R1.371 CNC(=O)Cc1ccccc1O 527a_100102657272_100000743006 [0,1,0,0,0,0|1,0,1]=3 1935 B12R1.371 CNC(=O)Cc1cccnc1Cl 11a_106832991635_100000093521 [0,1,0,0,0,0|2,0,1]=4 1936 B12R1.371 CNC(=O)Cc1cccnc1Cl 1626a_100102657272_100000093521 [0,1,0,0,0,0|2,0,1]=4 1937 B12R1.371 CNC(=O)Cc1cccnc1Cl 240690a_100102657272_100000093521 [0,1,0,0,0,0|2,0,1]=4 1938 B12R1.371 CNC(=O)Cc1cccnc1Cl 527a_100102657272_100000093521 [0,1,0,0,0,0|2,0,1]=4 1939 B12R1.371 CNC(=O)Cc1ncccc1Br 11a_106832991635_200012357574 [0,1,0,0,0,0|2,0,1]=4 1940 B12R1.371 CNC(=O)Cc1ncccc1Br 240690a_100102657272_200012357574 [0,1,0,0,0,0|2,0,1]=4 1941 B12R1.371 CNC(=O)Cc1ncccc1C 11a_106832991635_200000722269 [0,1,0,0,0,0|2,0,1]=4 1942 B12R1.371 CNC(=O)Cc1ncccc1C 1626a_100102657272_200000722269 [0,1,0,0,0,0|2,0,1]=4 1943 B12R1.371 CNC(=O)Cc1ncccc1C 240690a_100102657272_200000722269 [0,1,0,0,0,0|2,0,1]=4 1944 B12R1.371 CNC(=O)Cc1ncccc1Cl 11a_106832991635_100011998755 [0,1,0,0,0,0|2,0,1]=4 1945 B12R1.371 CNC(=O)Cc1ncccc1Cl 240690a_100102657272_100011998755 [0,1,0,0,0,0|2,0,1]=4 1946 B12R1.371 CNC(=O)Cc1ncccc1Cl 527a_100102657272_100011998755 [0,1,0,0,0,0|2,0,1]=4 1947 B12R1.371 CNC(=O)Cn1ccccc1=O 1626a_100102657272_100000189665 [0,1,0,0,0,0|2,0,1]=4 1948 B12R1.371 CNC(=O)Cn1ccccc1=O 240690a_100102657272_100000189665 [0,1,0,0,0,0|2,0,1]=4 1949 B12R1.371 CNC(=O)Cn1ccccc1=O 527a_100102657272_100000189665 [0,1,0,0,0,0|2,0,1]=4 1950 B12R1.371 CNC(=O)Nc1ccccc1Br 2430a_100000210017_100102657272 [0,1,0,0,0,0|2,0,1]=4 1951 B12R1.371 CNC(=O)Nc1ccccc1C 2430a_100015192222_100102657272 [0,1,0,0,0,0|2,0,1]=4 1952 B12R1.371 CNC(=O)Nc1ccccc1Cl 2430a_100000185783_100102657272 [0,1,0,0,0,0|2,0,1]=4 1953 B12R1.371 CNC(=O)Nc1ccccc1F 2430a_100000210422_100102657272 [0,1,0,0,0,0|2,0,1]=4 1954 B12R1.371 CNC(=O)Nc1ccccc1I 2430a_100000210053_100102657272 [0,1,0,0,0,0|2,0,1]=4 1955 B12R1.371 CNC(=O)Nc1ccccc1O 2430a_100000185747_100102657272 [0,1,0,0,0,0|2,0,1]=4 1956 B12R1.371 CNC(C)Cc1ccccc1Br 270004a_106832991635_100011350739 [0,1,0,0,0,0|0,0,0]=1 1957 B12R1.371 CNC(C)Cc1ccccc1C 270004a_106832991635_200000764500 [0,1,0,0,0,0|0,0,0]=1 1958 B12R1.371 CNC(C)Cc1ccccc1Cl 270004a_106832991635_100000758791 [0,1,0,0,0,0|0,0,0]=1 1959 B12R1.371 CNC(C)Cc1ccccc1F 270004a_106832991635_100000709178 [0,1,0,0,0,0|0,0,0]=1 1960 B12R1.371 CNC(C)Cc1ncccc1C 270004a_106832991635_100011823981 [0,1,0,0,0,0|1,0,0]=2 1961 B12R1.371 COC(=O)Cc1ccccc1O 271570a_203496583355_100000699816 [0,1,0,0,0,0|2,0,1]=4 1962 B12R1.371 COC(C)Sc1c[nH]ccc1=O 62a_100009879195_100009998708 [0,1,0,0,0,0|3,0,0]=4 1963 B12R1.371 COC(C)Sc1c[nH]ccc1=O 62a_100009998708_100009879195 [0,1,0,0,0,0|3,0,0]=4 1964 B12R1.371 COC(C)Sc1c[nH]ccc1=S 62a_100009879195_200012280681 [0,1,0,0,0,0|3,0,0]=4 1965 B12R1.371 COC(C)Sc1c[nH]ccc1=S 62a_200012280681_100009879195 [0,1,0,0,0,0|3,0,0]=4 1966 B12R1.371 COC(C)Sc1cccc[n+]1C 62a_100009879195_100000212160 [0,1,0,0,0,0|3,0,0]=4 1967 B12R1.371 COC(C)Sc1cccc[n+]1[O-] 62a_100009879195_200000042595 [0,1,0,0,0,0|3,0,0]=4 1968 B12R1.371 COC(C)Sc1ccccc1Br 62a_100000695589_100009879195 [0,1,0,0,0,0|2,0,0]=3 1969 B12R1.371 COC(C)Sc1ccccc1Br 62a_100009879195_100000695589 [0,1,0,0,0,0|2,0,0]=3 1970 B12R1.371 COC(C)Sc1ccccc1C 62a_100000210755_100009879195 [0,1,0,0,0,0|2,0,0]=3 1971 B12R1.371 COC(C)Sc1ccccc1C 62a_100009879195_100000210755 [0,1,0,0,0,0|2,0,0]=3 1972 B12R1.371 COC(C)Sc1ccccc1Cl 62a_100000764095_100009879195 [0,1,0,0,0,0|2,0,0]=3 1973 B12R1.371 COC(C)Sc1ccccc1Cl 62a_100009879195_100000764095 [0,1,0,0,0,0|2,0,0]=3 1974 B12R1.371 COC(C)Sc1ccccc1F 62a_100009879195_100011215700 [0,1,0,0,0,0|2,0,0]=3 1975 B12R1.371 COC(C)Sc1ccccc1F 62a_100011215700_100009879195 [0,1,0,0,0,0|2,0,0]=3 1976 B12R1.371 COC(C)Sc1ccccc1N 62a_100000210017_100009879195 [0,1,0,0,0,0|2,0,0]=3 1977 B12R1.371 COC(C)Sc1ccccc1N 62a_100009879195_100000210017 [0,1,0,0,0,0|2,0,0]=3 1978 B12R1.371 COC(C)Sc1ccccc1O 62a_100000739446_100009879195 [0,1,0,0,0,0|2,0,0]=3 1979 B12R1.371 COC(C)Sc1ccccc1O 62a_100009879195_100000739446 [0,1,0,0,0,0|2,0,0]=3 1980 B12R1.371 COC(C)Sc1cccnc1Br 62a_100009879195_100010202626 [0,1,0,0,0,0|3,0,0]=4 1981 B12R1.371 COC(C)Sc1cccnc1Br 62a_100010202626_100009879195 [0,1,0,0,0,0|3,0,0]=4 1982 B12R1.371 COC(C)Sc1cccnc1C 62a_100000751574_100009879195 [0,1,0,0,0,0|3,0,0]=4 1983 B12R1.371 COC(C)Sc1cccnc1C 62a_100009879195_100000751574 [0,1,0,0,0,0|3,0,0]=4 1984 B12R1.371 COC(C)Sc1cccnc1Cl 62a_100000036424_100009879195 [0,1,0,0,0,0|3,0,0]=4 1985 B12R1.371 COC(C)Sc1cccnc1Cl 62a_100009879195_100000036424 [0,1,0,0,0,0|3,0,0]=4 1986 B12R1.371 COC(C)Sc1cccnc1F 62a_100009816115_100009879195 [0,1,0,0,0,0|3,0,0]=4 1987 B12R1.371 COC(C)Sc1cccnc1F 62a_100009879195_100009816115 [0,1,0,0,0,0|3,0,0]=4 1988 B12R1.371 COC(C)Sc1cccnc1N 62a_100000045569_100009879195 [0,1,0,0,0,0|3,0,0]=4 1989 B12R1.371 COC(C)Sc1cccnc1N 62a_100009879195_100000045569 [0,1,0,0,0,0|3,0,0]=4 1990 B12R1.371 COC(C)Sc1cccnc1O 62a_100000760158_100009879195 [0,1,0,0,0,0|3,0,0]=4 1991 B12R1.371 COC(C)Sc1cccnc1O 62a_100009879195_100000760158 [0,1,0,0,0,0|3,0,0]=4 1992 B12R1.371 COC(C)Sc1ccncc1Br 62a_100000726257_100009879195 [0,1,0,0,0,0|3,0,0]=4 1993 B12R1.371 COC(C)Sc1ccncc1Br 62a_100009879195_100000726257 [0,1,0,0,0,0|3,0,0]=4 1994 B12R1.371 COC(C)Sc1ccncc1C 62a_100000765111_100009879195 [0,1,0,0,0,0|3,0,0]=4 1995 B12R1.371 COC(C)Sc1ccncc1C 62a_100009879195_100000765111 [0,1,0,0,0,0|3,0,0]=4 1996 B12R1.371 COC(C)Sc1ccncc1Cl 62a_100000708259_100009879195 [0,1,0,0,0,0|3,0,0]=4 1997 B12R1.371 COC(C)Sc1ccncc1Cl 62a_100009879195_100000708259 [0,1,0,0,0,0|3,0,0]=4 1998 B12R1.371 COC(C)Sc1ccncc1F 62a_100000047030_100009879195 [0,1,0,0,0,0|3,0,0]=4 1999 B12R1.371 COC(C)Sc1ccncc1F 62a_100009879195_100000047030 [0,1,0,0,0,0|3,0,0]=4 2000 B12R1.371 COC(C)Sc1ccncc1N 62a_100000756074_100009879195 [0,1,0,0,0,0|3,0,0]=4 2001 B12R1.371 COC(C)Sc1ccncc1N 62a_100009879195_100000756074 [0,1,0,0,0,0|3,0,0]=4 2002 B12R1.371 COC(C)Sc1ccncc1O 62a_100009817591_100009879195 [0,1,0,0,0,0|3,0,0]=4 2003 B12R1.371 COC(C)Sc1ccncc1O 62a_100009879195_100009817591 [0,1,0,0,0,0|3,0,0]=4 2004 B12R1.371 COC(C)Sc1cnccc1Br 62a_100009879195_100010138639 [0,1,0,0,0,0|3,0,0]=4 2005 B12R1.371 COC(C)Sc1cnccc1Br 62a_100010138639_100009879195 [0,1,0,0,0,0|3,0,0]=4 2006 B12R1.371 COC(C)Sc1cnccc1C 62a_100000761580_100009879195 [0,1,0,0,0,0|3,0,0]=4 2007 B12R1.371 COC(C)Sc1cnccc1C 62a_100009879195_100000761580 [0,1,0,0,0,0|3,0,0]=4 2008 B12R1.371 COC(C)Sc1cnccc1Cl 62a_100009879195_100009995489 [0,1,0,0,0,0|3,0,0]=4 2009 B12R1.371 COC(C)Sc1cnccc1Cl 62a_100009995489_100009879195 [0,1,0,0,0,0|3,0,0]=4 2010 B12R1.371 COC(C)Sc1cnccc1F 62a_100009820683_100009879195 [0,1,0,0,0,0|3,0,0]=4 2011 B12R1.371 COC(C)Sc1cnccc1F 62a_100009879195_100009820683 [0,1,0,0,0,0|3,0,0]=4 2012 B12R1.371 COC(C)Sc1cnccc1N 62a_100000047001_100009879195 [0,1,0,0,0,0|3,0,0]=4 2013 B12R1.371 COC(C)Sc1cnccc1N 62a_100009879195_100000047001 [0,1,0,0,0,0|3,0,0]=4 2014 B12R1.371 COC(C)Sc1ncccc1Br 62a_100000696092_100009879195 [0,1,0,0,0,0|3,0,0]=4 2015 B12R1.371 COC(C)Sc1ncccc1Br 62a_100009879195_100000696092 [0,1,0,0,0,0|3,0,0]=4 2016 B12R1.371 COC(C)Sc1ncccc1C 62a_100000751373_100009879195 [0,1,0,0,0,0|3,0,0]=4 2017 B12R1.371 COC(C)Sc1ncccc1C 62a_100009879195_100000751373 [0,1,0,0,0,0|3,0,0]=4 2018 B12R1.371 COC(C)Sc1ncccc1Cl 62a_100009879195_100011356963 [0,1,0,0,0,0|3,0,0]=4 2019 B12R1.371 COC(C)Sc1ncccc1Cl 62a_100011356963_100009879195 [0,1,0,0,0,0|3,0,0]=4 2020 B12R1.371 COC(C)Sc1ncccc1F 62a_100000685392_100009879195 [0,1,0,0,0,0|3,0,0]=4 2021 B12R1.371 COC(C)Sc1ncccc1F 62a_100009879195_100000685392 [0,1,0,0,0,0|3,0,0]=4 2022 B12R1.371 COC(C)Sc1ncccc1N 62a_100000688686_100009879195 [0,1,0,0,0,0|3,0,0]=4 2023 B12R1.371 COC(C)Sc1ncccc1N 62a_100009879195_100000688686 [0,1,0,0,0,0|3,0,0]=4 2024 B12R1.371 COC(C)Sc1ncccc1O 62a_100000034122_100009879195 [0,1,0,0,0,0|3,0,0]=4 2025 B12R1.371 COC(C)Sc1ncccc1O 62a_100009879195_100000034122 [0,1,0,0,0,0|3,0,0]=4 2026 B12R1.371 C[C@H](CO)Sc1ccccc1Br 62a_100000695589_100016084084 [0,1,0,0,0,0|3,0,0]=4 2027 B12R1.371 C[C@H](CO)Sc1ccccc1Br 62a_100016084084_100000695589 [0,1,0,0,0,0|3,0,0]=4 2028 B12R1.371 C[C@H](CO)Sc1ccccc1Cl 62a_100000764095_100016084084 [0,1,0,0,0,0|3,0,0]=4 2029 B12R1.371 C[C@H](CO)Sc1ccccc1Cl 62a_100016084084_100000764095 [0,1,0,0,0,0|3,0,0]=4 2030 B12R1.371 C[C@H](CO)Sc1ccccc1F 62a_100011215700_100016084084 [0,1,0,0,0,0|3,0,0]=4 2031 B12R1.371 C[C@H](CO)Sc1ccccc1F 62a_100016084084_100011215700 [0,1,0,0,0,0|3,0,0]=4 2032 B12R1.371 C[C@H](CO)Sc1ccccc1N 62a_100000210017_100016084084 [0,1,0,0,0,0|3,0,0]=4 2033 B12R1.371 C[C@H](CO)Sc1ccccc1N 62a_100016084084_100000210017 [0,1,0,0,0,0|3,0,0]=4 2034 B12R1.371 C[C@H](CO)Sc1ccccc1O 62a_100000739446_100016084084 [0,1,0,0,0,0|3,0,0]=4 2035 B12R1.371 C[C@H](CO)Sc1ccccc1O 62a_100016084084_100000739446 [0,1,0,0,0,0|3,0,0]=4 2036 B12R1.371 Cc1ccccc1CN(C)CF 269982a_100000184421_100015361967 [0,1,0,0,0,0|3,0,0]=4 2037 B12R1.371 Cc1ccccc1NC(C)CO 34a_100015192222_100012180447 [0,1,0,0,0,0|3,0,0]=4 2038 B12R1.371 Cc1ccccc1OC(C)C#N 7a_100000210338_100000703298 [0,1,0,0,0,0|3,0,0]=4 2039 B12R1.371 Cc1ccccc1OC(C)CO 34a_100000210338_100012180447 [0,1,0,0,0,0|3,0,0]=4 2040 B12R1.371 Cc1ccccc1OC(C)CO 7a_100000210338_100012180447 [0,1,0,0,0,0|3,0,0]=4 2041 B12R1.371 Cc1ccccc1SC(C)C#N 62a_100000210755_100000703298 [0,1,0,0,0,0|3,0,0]=4 2042 B12R1.371 Cc1ccccc1SC(C)C#N 62a_100000703298_100000210755 [0,1,0,0,0,0|3,0,0]=4 2043 B12R1.371 Cc1ccccc1SC(C)CO 62a_100012180447_100000210755 [0,1,0,0,0,0|3,0,0]=4 2044 B12R1.371 Cc1ccccc1S[C@H](C)CO 62a_100000210755_100016084084 [0,1,0,0,0,0|3,0,0]=4 2045 B12R1.371 Cc1ccccc1S[C@H](C)CO 62a_100016084084_100000210755 [0,1,0,0,0,0|3,0,0]=4 2046 B12R1.371 NNC(=O)Cc1ccccc1O 271570a_203496583355_200010210069 [0,1,0,0,0,0|2,0,1]=4 2047 B10R0.18 C=CC=CC(=O)CC(=O)NC 1458a_100016291481_100000183359 [0,0,1,0,0,0|2,0,1]=4 2048 B10R0.18 C=CC=CC(=O)CC(C)CC 1458a_100016291481_100000748023 [0,0,1,0,0,0|2,0,0]=3 2049 B10R0.18 C=CC=CC(=O)CC(O)CC 1458a_100016291481_100011218378 [0,0,1,0,0,0|3,0,0]=4 2050 B10R0.18 C=CC=CC(=O)C[C@@H](C)CC 1458a_100016291481_100009816398 [0,0,1,0,0,0|2,0,0]=3 2051 B10R0.18 C=CC=CC(=O)C[C@@H](C)CO 1458a_100016291481_100000059175 [0,0,1,0,0,0|3,0,0]=4 2052 B10R0.18 C=CC=CC(=O)NC(C)CC 1626a_100000209981_100016291481 [0,0,1,0,0,0|3,0,0]=4 2053 B12R2.11 CN1C[C@@H]1Cc2ccccc2 2230a_100016998360_200000210301 [0,0,0,1,0,0|0,0,0]=1 2054 B12R2.11 CN1C[C@@H]1Cc2ccccc2 269982a_100016998360_200000210301 [0,0,0,1,0,0|0,0,0]=1 2055 B12R2.11 CN1C[C@@H]1Cc2ccccc2 34a_100016998360_200000210301 [0,0,0,1,0,0|0,0,0]=1 2056 B12R2.11 [13CH3]N1C[C@@H]1Cc2ccccc2 2230a_100016998360_200025704644 [0,0,0,1,0,0|0,0,0]=1 2057 B12R2.11 [13CH3]N1C[C@@H]1Cc2ccccc2 269982a_100016998360_200025704644 [0,0,0,1,0,0|0,0,0]=1 2058 B12R2.11 [13CH3]N1C[C@@H]1Cc2ccccc2 34a_100016998360_200025704644 [0,0,0,1,0,0|0,0,0]=1 2059 B12R2.18 Cn1c(nc2c1cccc2)O 271570a_203496583355_200000239431 [0,0,0,1,0,0|2,0,1]=4 2060 B12R2.23 CN1CCC1c2ccccc2 2230a_100000739605_200000210301 [0,0,0,1,0,0|2,0,0]=3 2061 B12R2.23 CN1CCC1c2ccccc2 269982a_100000739605_200000210301 [0,0,0,1,0,0|2,0,0]=3 2062 B12R2.23 [13CH3]N1CCC1c2ccccc2 2230a_100000739605_200025704644 [0,0,0,1,0,0|2,0,0]=3 2063 B12R2.23 [13CH3]N1CCC1c2ccccc2 269982a_100000739605_200025704644 [0,0,0,1,0,0|2,0,0]=3 2064 B12R2.24 CN1CCc2ccccc2C1 2230a_100000188457_200000210301 [0,0,0,1,0,0|2,0,0]=3 2065 B12R2.24 CN1CCc2ccccc2C1 269982a_100000188457_200000210301 [0,0,0,1,0,0|2,0,0]=3 2066 B12R2.24 CN1CCc2ccccc2C1 34a_100000188457_200000210301 [0,0,0,1,0,0|2,0,0]=3 2067 B12R2.24 CN1CCc2cccnc2C1 2230a_100015206102_200000210301 [0,0,0,1,0,0|3,0,0]=4 2068 B12R2.24 CN1CCc2cccnc2C1 269982a_100015206102_200000210301 [0,0,0,1,0,0|3,0,0]=4 2069 B12R2.24 CN1CCc2ccncc2C1 2230a_100015190008_200000210301 [0,0,0,1,0,0|3,0,0]=4 2070 B12R2.24 CN1CCc2ccncc2C1 269982a_100015190008_200000210301 [0,0,0,1,0,0|3,0,0]=4 2071 B12R2.24 CN1CCc2cnccc2C1 2230a_100020645890_200000210301 [0,0,0,1,0,0|3,0,0]=4 2072 B12R2.24 CN1CCc2cnccc2C1 269982a_100020645890_200000210301 [0,0,0,1,0,0|3,0,0]=4 2073 B12R2.24 CN1CCc2ncccc2C1 2230a_100000699647_200000210301 [0,0,0,1,0,0|3,0,0]=4 2074 B12R2.24 CN1CCc2ncccc2C1 269982a_100000699647_200000210301 [0,0,0,1,0,0|3,0,0]=4 2075 B12R2.24 [13CH3]N1CCc2ccccc2C1 2230a_100000188457_200025704644 [0,0,0,1,0,0|2,0,0]=3 2076 B12R2.24 [13CH3]N1CCc2ccccc2C1 269982a_100000188457_200025704644 [0,0,0,1,0,0|2,0,0]=3 2077 B12R2.24 [13CH3]N1CCc2ccccc2C1 34a_100000188457_200025704644 [0,0,0,1,0,0|2,0,0]=3 2078 B12R2.24 [13CH3]N1CCc2cccnc2C1 2230a_100015206102_200025704644 [0,0,0,1,0,0|3,0,0]=4 2079 B12R2.24 [13CH3]N1CCc2cccnc2C1 269982a_100015206102_200025704644 [0,0,0,1,0,0|3,0,0]=4 2080 B12R2.24 [13CH3]N1CCc2ccncc2C1 2230a_100015190008_200025704644 [0,0,0,1,0,0|3,0,0]=4 2081 B12R2.24 [13CH3]N1CCc2ccncc2C1 269982a_100015190008_200025704644 [0,0,0,1,0,0|3,0,0]=4 2082 B12R2.24 [13CH3]N1CCc2cnccc2C1 2230a_100020645890_200025704644 [0,0,0,1,0,0|3,0,0]=4 2083 B12R2.24 [13CH3]N1CCc2cnccc2C1 269982a_100020645890_200025704644 [0,0,0,1,0,0|3,0,0]=4 2084 B12R2.24 [13CH3]N1CCc2ncccc2C1 2230a_100000699647_200025704644 [0,0,0,1,0,0|3,0,0]=4 2085 B12R2.24 [13CH3]N1CCc2ncccc2C1 269982a_100000699647_200025704644 [0,0,0,1,0,0|3,0,0]=4 2086 B12R2.27 CN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_200000210301 [0,0,0,1,0,0|0,0,0]=1 2087 B12R2.27 CN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_200000210301 [0,0,0,1,0,0|0,0,0]=1 2088 B12R2.27 [13CH3]N[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_200025704644 [0,0,0,1,0,0|0,0,0]=1 2089 B12R2.27 [13CH3]N[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_200025704644 [0,0,0,1,0,0|0,0,0]=1 2090 B12R2.32 CCN1Cc2ccccc2C1 2230a_100000752595_100000210202 [0,0,0,1,0,0|2,0,0]=3 2091 B12R2.32 CCN1Cc2ccccc2C1 269982a_100000752595_100000204670 [0,0,0,1,0,0|2,0,0]=3 2092 B12R2.32 CCN1Cc2ccccc2C1 34a_100000752595_100000210202 [0,0,0,1,0,0|2,0,0]=3 2093 B12R2.32 CCN1Cc2cccnc2C1 269982a_100000726175_100000204670 [0,0,0,1,0,0|3,0,0]=4 2094 B12R2.32 CCN1Cc2ccncc2C1 2230a_100000730608_100000210202 [0,0,0,1,0,0|3,0,0]=4 2095 B12R2.32 CCN1Cc2ccncc2C1 269982a_100000730608_100000204670 [0,0,0,1,0,0|3,0,0]=4 2096 B12R2.32 CNC1Cc2ccccc2C1 2230a_100000753258_200000210301 [0,0,0,1,0,0|0,0,0]=1 2097 B12R2.32 CNC1Cc2ccccc2C1 34a_100000753258_200000210301 [0,0,0,1,0,0|0,0,0]=1 2098 B12R2.32 CNC1Cc2ccccc2C1 34a_100102657272_100000753484 [0,0,0,1,0,0|0,0,0]=1 2099 B12R2.32 CNC1Cc2ccccc2C1 7a_106832991635_100000753484 [0,0,0,1,0,0|0,0,0]=1 2100 B12R2.32 CNc1nc2ccccc2[nH]1 27a_100102657272_100009814255 [0,0,0,1,0,0|2,0,1]=4 2101 B12R2.32 CNc1nc2ccccc2s1 27a_100102657272_100000751744 [0,0,0,1,0,0|2,0,1]=4 2102 B12R2.32 COC1Cc2ccccc2C1 34a_100011215286_200000210301 [0,0,0,1,0,0|1,0,0]=2 2103 B12R2.32 COC1Cc2ccccc2C1 34a_100138415774_100000753484 [0,0,0,1,0,0|1,0,0]=2 2104 B12R2.32 CSC1Cc2ccccc2C1 62a_200000210301_100000753484 [0,0,0,1,0,0|1,0,0]=2 2105 B12R2.32 FCN1Cc2ccccc2C1 269982a_100000752595_100015361967 [0,0,0,1,0,0|3,0,0]=4 2106 B12R2.32 FCN1Cc2ccccc2C1 34a_100000752595_100015361967 [0,0,0,1,0,0|3,0,0]=4 2107 B12R2.32 [13CH3]NC1Cc2ccccc2C1 2230a_100000753258_200025704644 [0,0,0,1,0,0|0,0,0]=1 2108 B12R2.32 [13CH3]NC1Cc2ccccc2C1 34a_100000753258_200025704644 [0,0,0,1,0,0|0,0,0]=1 2109 B12R2.32 [13CH3]OC1Cc2ccccc2C1 34a_100011215286_200025704644 [0,0,0,1,0,0|1,0,0]=2 2110 B12R2.32 [13CH3]SC1Cc2ccccc2C1 62a_200025704644_100000753484 [0,0,0,1,0,0|1,0,0]=2 2111 B12R2.2058 c1cc(ccn1)CN2CCC2 269982a_100000754969_100015193705 [0,0,0,1,0,0|3,0,0]=4 2112 B12R2.2058 c1cc(ccn1)OC2CCC2 34a_100000212176_100000749161 [0,0,0,1,0,0|3,0,0]=4 2113 B12R2.2058 c1cc(ccn1)SC2CCC2 62a_100000728582_100000749161 [0,0,0,1,0,0|3,0,0]=4 2114 B12R2.2058 c1ccc(cc1)CN2CCC2 269982a_100000754969_100000211182 [0,0,0,1,0,0|2,0,0]=3 2115 B12R2.2058 c1ccc(cc1)NC2CCC2 34a_100000106764_100000749161 [0,0,0,1,0,0|2,0,0]=3 2116 B12R2.2058 c1ccc(cc1)NC2COC2 34a_100000106764_100009818527 [0,0,0,1,0,0|3,0,0]=4 2117 B12R2.2058 c1ccc(cc1)OC2CCC2 34a_100000210340_100000749161 [0,0,0,1,0,0|2,0,0]=3 2118 B12R2.2058 c1ccc(cc1)OC2COC2 34a_100000210340_100009818527 [0,0,0,1,0,0|3,0,0]=4 2119 B12R2.2058 c1ccc(cc1)OC2COC2 7a_100000210340_100009818527 [0,0,0,1,0,0|3,0,0]=4 2120 B12R2.2058 c1ccc(cc1)SC2CCC2 62a_100000719477_100000749161 [0,0,0,1,0,0|2,0,0]=3 2121 B12R2.2058 c1ccc(cc1)SC2COC2 62a_100000719477_100009818527 [0,0,0,1,0,0|3,0,0]=4 2122 B12R2.2058 c1ccc(nc1)CN2CCC2 269982a_100000754969_100000721315 [0,0,0,1,0,0|3,0,0]=4 2123 B12R2.2058 c1ccc(nc1)SC2CCC2 62a_100011216584_100000749161 [0,0,0,1,0,0|3,0,0]=4 2124 B12R2.2058 c1cncc(c1)CN2CCC2 269982a_100000754969_100000733263 [0,0,0,1,0,0|3,0,0]=4 2125 B12R2.2058 c1cncc(c1)OC2CCC2 34a_100000210849_100000749161 [0,0,0,1,0,0|3,0,0]=4 2126 B12R2.2058 c1cncc(c1)SC2CCC2 62a_100000210063_100000749161 [0,0,0,1,0,0|3,0,0]=4 2127 B10R1.15 CC(N[13CH3])c1ccccn1 2230a_100000181244_200025704644 [0,0,0,0,1,0|1,0,0]=2 2128 B10R1.15 CC(N[13CH3])c1cccnc1 2230a_100000195435_200025704644 [0,0,0,0,1,0|1,0,0]=2 2129 B10R1.15 CC(N[13CH3])c1ccncc1 2230a_100000181269_200025704644 [0,0,0,0,1,0|1,0,0]=2 2130 B10R1.15 CC(N[13CH3])c1ncccn1 2230a_100020641698_200025704644 [0,0,0,0,1,0|2,0,0]=3 2131 B10R1.15 CC(S[13CH3])c1ccccc1 62a_100000230085_200025704644 [0,0,0,0,1,0|1,0,0]=2 2132 B10R1.15 CC(S[13CH3])c1ccccc1 62a_200025704644_100000230085 [0,0,0,0,1,0|1,0,0]=2 2133 B10R1.15 CC(S[13CH3])c1cnccn1 62a_200000703233_200025704644 [0,0,0,0,1,0|3,0,0]=4 2134 B10R1.15 CC(S[13CH3])c1cnccn1 62a_200025704644_200000703233 [0,0,0,0,1,0|3,0,0]=4 2135 B10R1.15 CCC(=O)c1ccccc1 1458a_100000185807_100000210202 [0,0,0,0,1,0|2,0,1]=4 2136 B10R1.15 CCN(C)c1ccccc1 2230a_100000210012_100000210202 [0,0,0,0,1,0|2,0,0]=3 2137 B10R1.15 CCN(C)c1ccccc1 2230a_100000210013_200000210301 [0,0,0,0,1,0|2,0,0]=3 2138 B10R1.15 CCN(C)c1ccccc1 269982a_100000210012_100000204670 [0,0,0,0,1,0|2,0,0]=3 2139 B10R1.15 CCN(C)c1ccccc1 269982a_100000210013_200000210301 [0,0,0,0,1,0|2,0,0]=3 2140 B10R1.15 CCN(C)c1ccccc1 34a_100000210012_100000210202 [0,0,0,0,1,0|2,0,0]=3 2141 B10R1.15 CCN(C)c1ccccc1 34a_100000210013_200000210301 [0,0,0,0,1,0|2,0,0]=3 2142 B10R1.15 CCN([13CH3])c1ccccc1 2230a_100000210013_200025704644 [0,0,0,0,1,0|2,0,0]=3 2143 B10R1.15 CCN([13CH3])c1ccccc1 269982a_100000210013_200025704644 [0,0,0,0,1,0|2,0,0]=3 2144 B10R1.15 CCN([13CH3])c1ccccc1 34a_100000210013_200025704644 [0,0,0,0,1,0|2,0,0]=3 2145 B10R1.15 CN(CF)c1ccccc1 269982a_100000210012_100015361967 [0,0,0,0,1,0|3,0,0]=4 2146 B10R1.15 CN(CF)c1ccccc1 34a_100000210012_100015361967 [0,0,0,0,1,0|3,0,0]=4 2147 B10R1.15 CNC(=O)c1ccccc1 11a_106832991635_100000185807 [0,0,0,0,1,0|1,0,1]=3 2148 B10R1.15 CNC(=O)c1ccccc1 1626a_100102657272_100000185807 [0,0,0,0,1,0|1,0,1]=3 2149 B10R1.15 CNC(=O)c1ccccc1 240690a_100102657272_100000185807 [0,0,0,0,1,0|1,0,1]=3 2150 B10R1.15 CNC(=O)c1ccccc1 527a_100102657272_100000185807 [0,0,0,0,1,0|1,0,1]=3 2151 B10R1.15 CNC(C)c1ccccc1 2230a_106832991635_100000230085 [0,0,0,0,1,0|0,0,0]=1 2152 B10R1.15 CNC(C)c1ccccc1 269862a_106832991636_100000185851 [0,0,0,0,1,0|0,0,0]=1 2153 B10R1.15 CNC(C)c1ccccc1 34a_100102657272_100000211855 [0,0,0,0,1,0|0,0,0]=1 2154 B10R1.15 CNC(C)c1ccccc1 7a_106832991635_100000230085 [0,0,0,0,1,0|0,0,0]=1 2155 B10R1.15 CNC(C)c1ccccn1 2230a_100000181244_200000210301 [0,0,0,0,1,0|1,0,0]=2 2156 B10R1.15 CNC(C)c1ccccn1 269862a_106832991636_100000210467 [0,0,0,0,1,0|1,0,0]=2 2157 B10R1.15 CNC(C)c1cccnc1 2230a_100000195435_200000210301 [0,0,0,0,1,0|1,0,0]=2 2158 B10R1.15 CNC(C)c1cccnc1 269862a_106832991636_100000210468 [0,0,0,0,1,0|1,0,0]=2 2159 B10R1.15 CNC(C)c1cccnn1 269862a_106832991636_100009866853 [0,0,0,0,1,0|2,0,0]=3 2160 B10R1.15 CNC(C)c1ccncc1 2230a_100000181269_200000210301 [0,0,0,0,1,0|1,0,0]=2 2161 B10R1.15 CNC(C)c1ccncc1 269862a_106832991636_100000185792 [0,0,0,0,1,0|1,0,0]=2 2162 B10R1.15 CNC(C)c1ccnnc1 269862a_106832991636_100012182992 [0,0,0,0,1,0|2,0,0]=3 2163 B10R1.15 CNC(C)c1cnccn1 2230a_106832991635_200000703233 [0,0,0,0,1,0|2,0,0]=3 2164 B10R1.15 CNC(C)c1cnccn1 269862a_106832991636_100000751083 [0,0,0,0,1,0|2,0,0]=3 2165 B10R1.15 CNC(C)c1cnccn1 7a_106832991635_200000703233 [0,0,0,0,1,0|2,0,0]=3 2166 B10R1.15 CNC(C)c1cncnc1 269862a_106832991636_100000757475 [0,0,0,0,1,0|2,0,0]=3 2167 B10R1.15 CNC(C)c1ncccn1 2230a_100020641698_200000210301 [0,0,0,0,1,0|2,0,0]=3 2168 B10R1.15 CNC(C)c1ncccn1 270004a_106832991635_100011350828 [0,0,0,0,1,0|2,0,0]=3 2169 B10R1.15 CN[C@H](C)c1ccccc1 2230a_100000751104_200000210301 [0,0,0,0,1,0|0,0,0]=1 2170 B10R1.15 CN[C@H](C)c1cnccn1 2230a_100020589798_200000210301 [0,0,0,0,1,0|2,0,0]=3 2171 B10R1.15 COC(C)c1ccccc1 34a_100138415774_100000211855 [0,0,0,0,1,0|1,0,0]=2 2172 B10R1.15 CO[C@H](C)c1ccccc1 34a_100000761318_200000210301 [0,0,0,0,1,0|1,0,0]=2 2173 B10R1.15 CO[C@H](C)c1ccccc1 7a_100000761318_200000210301 [0,0,0,0,1,0|1,0,0]=2 2174 B10R1.15 CSC(C)c1ccccc1 62a_100000230085_200000210301 [0,0,0,0,1,0|1,0,0]=2 2175 B10R1.15 CSC(C)c1ccccc1 62a_200000210301_100000230085 [0,0,0,0,1,0|1,0,0]=2 2176 B10R1.15 CSC(C)c1cnccn1 62a_200000210301_200000703233 [0,0,0,0,1,0|3,0,0]=4 2177 B10R1.15 CSC(C)c1cnccn1 62a_200000703233_200000210301 [0,0,0,0,1,0|3,0,0]=4 2178 B10R1.15 C[C@@H](N[13CH3])c1ccccc1 2230a_100000751104_200025704644 [0,0,0,0,1,0|0,0,0]=1 2179 B10R1.15 C[C@@H](N[13CH3])c1cnccn1 2230a_100020589798_200025704644 [0,0,0,0,1,0|2,0,0]=3 2180 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 34a_100000761318_200025704644 [0,0,0,0,1,0|1,0,0]=2 2181 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 7a_100000761318_200025704644 [0,0,0,0,1,0|1,0,0]=2 2182 B10R1.27 CC(Cc1ccco1)O[13CH3] 34a_100011803939_200025704644 [0,0,0,0,1,0|2,0,0]=3 2183 B10R1.27 CC(Cc1ccco1)O[13CH3] 7a_100011803939_200025704644 [0,0,0,0,1,0|2,0,0]=3 2184 B10R1.27 CC(Cc1cccs1)N[13CH3] 2230a_100000751415_200025704644 [0,0,0,0,1,0|1,0,0]=2 2185 B10R1.27 CC(Cc1ccsc1)N[13CH3] 2230a_100000743546_200025704644 [0,0,0,0,1,0|1,0,0]=2 2186 B10R1.27 CC(Cc1ccsc1)N[13CH3] 34a_100000743546_200025704644 [0,0,0,0,1,0|1,0,0]=2 2187 B10R1.27 CC(Cn1cccn1)N[13CH3] 2230a_100000738251_200025704644 [0,0,0,0,1,0|2,0,0]=3 2188 B10R1.27 CC(Cn1cncn1)N[13CH3] 2230a_100011201177_200025704644 [0,0,0,0,1,0|3,0,0]=4 2189 B10R1.27 CCC(C)Oc1ccsc1 34a_100000106738_100011215416 [0,0,0,0,1,0|3,0,0]=4 2190 B10R1.27 CCC(C)Oc1ccsc1 7a_100000106738_100000758301 [0,0,0,0,1,0|3,0,0]=4 2191 B10R1.27 CCC(C)Sc1ccco1 62a_100000758301_100009814098 [0,0,0,0,1,0|3,0,0]=4 2192 B10R1.27 CCC(C)Sc1ccco1 62a_100009814098_100000758301 [0,0,0,0,1,0|3,0,0]=4 2193 B10R1.27 CCC(C)Sc1cccs1 62a_100000758301_100011215356 [0,0,0,0,1,0|3,0,0]=4 2194 B10R1.27 CCC(C)Sc1cccs1 62a_100011215356_100000758301 [0,0,0,0,1,0|3,0,0]=4 2195 B10R1.27 CCC(C)Sc1ccoc1 62a_100000758301_100011215275 [0,0,0,0,1,0|3,0,0]=4 2196 B10R1.27 CCC(C)Sc1ccoc1 62a_100011215275_100000758301 [0,0,0,0,1,0|3,0,0]=4 2197 B10R1.27 CCC(C)Sc1ccsc1 62a_100000738268_100000758301 [0,0,0,0,1,0|3,0,0]=4 2198 B10R1.27 CCC(C)Sc1ccsc1 62a_100000758301_100000738268 [0,0,0,0,1,0|3,0,0]=4 2199 B10R1.27 CCN(C)Cc1ccco1 2230a_100000185268_100000210202 [0,0,0,0,1,0|3,0,0]=4 2200 B10R1.27 CCN(C)Cc1ccco1 2230a_100000739255_200000210301 [0,0,0,0,1,0|3,0,0]=4 2201 B10R1.27 CCN(C)Cc1ccco1 269982a_100000185268_100000204670 [0,0,0,0,1,0|3,0,0]=4 2202 B10R1.27 CCN(C)Cc1ccco1 269982a_100000739255_200000210301 [0,0,0,0,1,0|3,0,0]=4 2203 B10R1.27 CCN(C)Cc1cccs1 2230a_100000184426_100000210202 [0,0,0,0,1,0|3,0,0]=4 2204 B10R1.27 CCN(C)Cc1cccs1 2230a_100025770963_200000210301 [0,0,0,0,1,0|3,0,0]=4 2205 B10R1.27 CCN(C)Cc1cccs1 269982a_100000184426_100000204670 [0,0,0,0,1,0|3,0,0]=4 2206 B10R1.27 CCN(C)Cc1cccs1 269982a_100025770963_200000210301 [0,0,0,0,1,0|3,0,0]=4 2207 B10R1.27 CCN(C)Cc1ccsc1 2230a_100000225621_100011261437 [0,0,0,0,1,0|3,0,0]=4 2208 B10R1.27 CCN(C)Cc1ccsc1 2230a_100020654213_100000210202 [0,0,0,0,1,0|3,0,0]=4 2209 B10R1.27 CCN(C)Cc1ccsc1 269982a_100000225621_100011233845 [0,0,0,0,1,0|3,0,0]=4 2210 B10R1.27 CCN(C)Cc1ccsc1 269982a_100020654213_100000204670 [0,0,0,0,1,0|3,0,0]=4 2211 B10R1.27 CCN([13CH3])Cc1ccco1 2230a_100000739255_200025704644 [0,0,0,0,1,0|3,0,0]=4 2212 B10R1.27 CCN([13CH3])Cc1ccco1 269982a_100000739255_200025704644 [0,0,0,0,1,0|3,0,0]=4 2213 B10R1.27 CCN([13CH3])Cc1cccs1 2230a_100025770963_200025704644 [0,0,0,0,1,0|3,0,0]=4 2214 B10R1.27 CCN([13CH3])Cc1cccs1 269982a_100025770963_200025704644 [0,0,0,0,1,0|3,0,0]=4 2215 B10R1.27 CNC(=O)Cc1ccc[nH]1 11a_106832991635_100000238377 [0,0,0,0,1,0|2,0,1]=4 2216 B10R1.27 CNC(=O)Cc1ccc[nH]1 240690a_100102657272_100000238377 [0,0,0,0,1,0|2,0,1]=4 2217 B10R1.27 CNC(=O)Cc1ccc[nH]1 527a_100102657272_100000238377 [0,0,0,0,1,0|2,0,1]=4 2218 B10R1.27 CNC(=O)Cc1ccco1 11a_106832991635_100011217309 [0,0,0,0,1,0|2,0,1]=4 2219 B10R1.27 CNC(=O)Cc1ccco1 527a_100102657272_100011217309 [0,0,0,0,1,0|2,0,1]=4 2220 B10R1.27 CNC(=O)Cc1cccs1 11a_106832991635_100000210189 [0,0,0,0,1,0|2,0,1]=4 2221 B10R1.27 CNC(=O)Cc1cccs1 1626a_100102657272_100000210189 [0,0,0,0,1,0|2,0,1]=4 2222 B10R1.27 CNC(=O)Cc1cccs1 240690a_100102657272_100000210189 [0,0,0,0,1,0|2,0,1]=4 2223 B10R1.27 CNC(=O)Cc1ccoc1 11a_106832991635_100000684892 [0,0,0,0,1,0|2,0,1]=4 2224 B10R1.27 CNC(=O)Cc1ccoc1 1626a_100102657272_100000684892 [0,0,0,0,1,0|2,0,1]=4 2225 B10R1.27 CNC(=O)Cc1ccoc1 240690a_100102657272_100000684892 [0,0,0,0,1,0|2,0,1]=4 2226 B10R1.27 CNC(=O)Cc1ccoc1 527a_100102657272_100000684892 [0,0,0,0,1,0|2,0,1]=4 2227 B10R1.27 CNC(=O)Cc1ccsc1 11a_106832991635_100000184062 [0,0,0,0,1,0|2,0,1]=4 2228 B10R1.27 CNC(=O)Cc1ccsc1 1626a_100102657272_100000184062 [0,0,0,0,1,0|2,0,1]=4 2229 B10R1.27 CNC(=O)Cc1ccsc1 240690a_100102657272_100000184062 [0,0,0,0,1,0|2,0,1]=4 2230 B10R1.27 CNC(=O)Cc1ccsc1 527a_100102657272_100000184062 [0,0,0,0,1,0|2,0,1]=4 2231 B10R1.27 CNC(=O)Cn1cccc1 11a_106832991635_100011196272 [0,0,0,0,1,0|2,0,1]=4 2232 B10R1.27 CNC(=O)Cn1cccc1 1626a_100102657272_100011196272 [0,0,0,0,1,0|2,0,1]=4 2233 B10R1.27 CNC(=O)Cn1cccc1 527a_100102657272_100011196272 [0,0,0,0,1,0|2,0,1]=4 2234 B10R1.27 CNC(C)CC1C=CCC1 270004a_106832991635_100000116859 [0,0,0,0,1,0|0,0,3]=4 2235 B10R1.27 CNC(C)Cc1ccco1 270004a_106832991635_100011216958 [0,0,0,0,1,0|1,0,0]=2 2236 B10R1.27 CNC(C)Cc1cccs1 2230a_100000751415_200000210301 [0,0,0,0,1,0|1,0,0]=2 2237 B10R1.27 CNC(C)Cc1ccsc1 2230a_100000743546_200000210301 [0,0,0,0,1,0|1,0,0]=2 2238 B10R1.27 CNC(C)Cc1ccsc1 34a_100000743546_200000210301 [0,0,0,0,1,0|1,0,0]=2 2239 B10R1.27 CNC(C)Cn1cccn1 2230a_100000738251_200000210301 [0,0,0,0,1,0|2,0,0]=3 2240 B10R1.27 CNC(C)Cn1cncn1 2230a_100011201177_200000210301 [0,0,0,0,1,0|3,0,0]=4 2241 B10R1.27 CNC(C)Cn1cncn1 270004a_106832991635_100011342613 [0,0,0,0,1,0|3,0,0]=4 2242 B10R1.27 COC(C)Cc1ccco1 34a_100011803939_200000210301 [0,0,0,0,1,0|2,0,0]=3 2243 B10R1.27 COC(C)Cc1ccco1 7a_100011803939_200000210301 [0,0,0,0,1,0|2,0,0]=3 2244 B10R1.27 COC(C)Sc1ccco1 62a_100009814098_100009879195 [0,0,0,0,1,0|3,0,0]=4 2245 B10R1.27 COC(C)Sc1ccco1 62a_100009879195_100009814098 [0,0,0,0,1,0|3,0,0]=4 2246 B10R1.27 COC(C)Sc1cccs1 62a_100009879195_100011215356 [0,0,0,0,1,0|3,0,0]=4 2247 B10R1.27 COC(C)Sc1cccs1 62a_100011215356_100009879195 [0,0,0,0,1,0|3,0,0]=4 2248 B10R1.27 COC(C)Sc1ccoc1 62a_100009879195_100011215275 [0,0,0,0,1,0|3,0,0]=4 2249 B10R1.27 COC(C)Sc1ccoc1 62a_100011215275_100009879195 [0,0,0,0,1,0|3,0,0]=4 2250 B10R1.27 COC(C)Sc1ccsc1 62a_100000738268_100009879195 [0,0,0,0,1,0|3,0,0]=4 2251 B10R1.27 COC(C)Sc1ccsc1 62a_100009879195_100000738268 [0,0,0,0,1,0|3,0,0]=4 2252 B12R1.27 C#CC(C)NCc1ccccc1 2230a_100000707721_100015291786 [0,0,0,0,0,1|1,0,1]=3 2253 B12R1.27 C#CC(C)NCc1ccccc1 270004a_100000707721_100015611070 [0,0,0,0,0,1|1,0,1]=3 2254 B12R1.27 C#CC(C)NCc1ccccc1 34a_100000707721_100015291786 [0,0,0,0,0,1|1,0,1]=3 2255 B12R1.27 C#CC(C)NCc1ccccc1 34a_100015324214_200000035995 [0,0,0,0,0,1|1,0,1]=3 2256 B12R1.27 C#CC(C)NCc1ccccn1 2230a_100000707721_100000721315 [0,0,0,0,0,1|2,0,1]=4 2257 B12R1.27 C#CC(C)NCc1ccccn1 270004a_100000707721_100000209966 [0,0,0,0,0,1|2,0,1]=4 2258 B12R1.27 C#CC(C)NCc1ccccn1 34a_100000707721_100000721315 [0,0,0,0,0,1|2,0,1]=4 2259 B12R1.27 C#CC(C)NCc1cccnc1 2230a_100000707721_100000741622 [0,0,0,0,0,1|2,0,1]=4 2260 B12R1.27 C#CC(C)NCc1cccnc1 270004a_100000707721_100000209961 [0,0,0,0,0,1|2,0,1]=4 2261 B12R1.27 C#CC(C)NCc1cccnc1 34a_100000707721_100000733263 [0,0,0,0,0,1|2,0,1]=4 2262 B12R1.27 C#CC(C)NCc1ccncc1 2230a_100000707721_100015193705 [0,0,0,0,0,1|2,0,1]=4 2263 B12R1.27 C#CC(C)OCc1ccccc1 34a_100000210790_200000035995 [0,0,0,0,0,1|1,0,1]=3 2264 B12R1.27 C#CC(C)SCc1ccccc1 62a_200000035995_100015291786 [0,0,0,0,0,1|1,0,1]=3 2265 B12R1.27 C#CC(C)SCc1ccccn1 62a_200000035995_100000721315 [0,0,0,0,0,1|2,0,1]=4 2266 B12R1.27 C#CC(C)SCc1cccnc1 62a_200000035995_100000741622 [0,0,0,0,0,1|2,0,1]=4 2267 B12R1.27 C#CC(C)SCc1ccncc1 62a_200000035995_100015193705 [0,0,0,0,0,1|2,0,1]=4 2268 B12R1.27 C#C[C@@H](C)OCc1ccccc1 34a_100009815206_100015291786 [0,0,0,0,0,1|1,0,1]=3 2269 B12R1.27 C#C[C@@H](C)OCc1ccccc1 7a_100009815206_100000211182 [0,0,0,0,0,1|1,0,1]=3 2270 B12R1.27 C#C[C@@H](C)OCc1ccccn1 34a_100009815206_100000721315 [0,0,0,0,0,1|2,0,1]=4 2271 B12R1.27 C#C[C@@H](C)OCc1ccccn1 7a_100009815206_100000721315 [0,0,0,0,0,1|2,0,1]=4 2272 B12R1.27 C#C[C@@H](C)OCc1cccnc1 34a_100009815206_100000733263 [0,0,0,0,0,1|2,0,1]=4 2273 B12R1.27 C#C[C@@H](C)OCc1cccnc1 7a_100009815206_100000741622 [0,0,0,0,0,1|2,0,1]=4 2274 B12R1.27 C#C[C@@H](C)OCc1ccncc1 7a_100009815206_100015193705 [0,0,0,0,0,1|2,0,1]=4 2275 B12R1.27 C=CC(C)OCc1ccccc1 34a_100000695699_100015291786 [0,0,0,0,0,1|1,0,1]=3 2276 B12R1.27 C=CC(C)OCc1ccccn1 34a_100000695699_100000721315 [0,0,0,0,0,1|2,0,1]=4 2277 B12R1.27 C=CC(C)OCc1cccnc1 34a_100000695699_100000733263 [0,0,0,0,0,1|2,0,1]=4 2278 B12R1.27 C=CC(C)SCc1ccccc1 62a_100011215867_100015291786 [0,0,0,0,0,1|1,0,1]=3 2279 B12R1.27 C=CC(C)SCc1ccccn1 62a_100011215867_100000721315 [0,0,0,0,0,1|2,0,1]=4 2280 B12R1.27 C=CC(C)SCc1cccnc1 62a_100011215867_100000741622 [0,0,0,0,0,1|2,0,1]=4 2281 B12R1.27 C=CC(C)SCc1ccncc1 62a_100011215867_100015193705 [0,0,0,0,0,1|2,0,1]=4 2282 B12R1.27 C=CC(O)CNc1ccccc1 34a_100000106764_100000730141 [0,0,0,0,0,1|2,0,1]=4 2283 B12R1.27 C=CC(O)COc1ccccc1 34a_100000210340_100000730141 [0,0,0,0,0,1|2,0,1]=4 2284 B12R1.27 C=CC(O)COc1ccccc1 7a_100000210340_100000730141 [0,0,0,0,0,1|2,0,1]=4 2285 B12R1.27 C=CC(O)CSc1ccccc1 62a_100000719477_100000730141 [0,0,0,0,0,1|2,0,1]=4 2286 B12R1.27 C=CC(O)CSc1ccccc1 62a_100000730141_100000041952 [0,0,0,0,0,1|2,0,1]=4 2287 B12R1.27 CC(C#Cc1ccccc1)O[13CH3] 34a_200000065209_200025704644 [0,0,0,0,0,1|1,0,1]=3 2288 B12R1.27 CC(C#Cc1ccccc1)O[13CH3] 7a_200000065209_200025704644 [0,0,0,0,0,1|1,0,1]=3 2289 B12R1.27 CC(C#N)NCc1ccccc1 2230a_100000737613_100015291786 [0,0,0,0,0,1|2,0,0]=3 2290 B12R1.27 CC(C#N)NCc1ccccc1 2230a_100015324214_100000184139 [0,0,0,0,0,1|2,0,0]=3 2291 B12R1.27 CC(C#N)NCc1ccccn1 2230a_100000737613_100000721315 [0,0,0,0,0,1|3,0,0]=4 2292 B12R1.27 CC(C#N)NCc1cccnc1 2230a_100000737613_100000741622 [0,0,0,0,0,1|3,0,0]=4 2293 B12R1.27 CC(C#N)NCc1ccncc1 2230a_100000737613_100015193705 [0,0,0,0,0,1|3,0,0]=4 2294 B12R1.27 CC(C#N)OCc1ccccc1 34a_100011218135_100015291786 [0,0,0,0,0,1|2,0,0]=3 2295 B12R1.27 CC(C#N)OCc1ccccc1 7a_100000210790_100000703298 [0,0,0,0,0,1|2,0,0]=3 2296 B12R1.27 CC(C#N)OCc1ccccn1 34a_100011218135_100000721315 [0,0,0,0,0,1|3,0,0]=4 2297 B12R1.27 CC(C#N)OCc1cccnc1 34a_100011218135_100000733263 [0,0,0,0,0,1|3,0,0]=4 2298 B12R1.27 CC(C#N)SCc1ccccc1 62a_100000211182_100000703298 [0,0,0,0,0,1|2,0,0]=3 2299 B12R1.27 CC(C#N)SCc1ccccc1 62a_100000703298_100015291786 [0,0,0,0,0,1|2,0,0]=3 2300 B12R1.27 CC(C#N)SCc1ccccn1 62a_100000703298_100000721315 [0,0,0,0,0,1|3,0,0]=4 2301 B12R1.27 CC(C#N)SCc1ccccn1 62a_100000721315_100000703298 [0,0,0,0,0,1|3,0,0]=4 2302 B12R1.27 CC(C#N)SCc1cccnc1 62a_100000703298_100000741622 [0,0,0,0,0,1|3,0,0]=4 2303 B12R1.27 CC(C#N)SCc1cccnc1 62a_100000741622_100000703298 [0,0,0,0,0,1|3,0,0]=4 2304 B12R1.27 CC(C#N)SCc1ccncc1 62a_100000703298_100015193705 [0,0,0,0,0,1|3,0,0]=4 2305 B12R1.27 CC(C#N)SCc1ccncc1 62a_100015193705_100000703298 [0,0,0,0,0,1|3,0,0]=4 2306 B12R1.27 CC(CCc1ccccc1)N[13CH3] 2230a_100000210798_200025704644 [0,0,0,0,0,1|0,0,0]=1 2307 B12R1.27 CC(CCc1ccccc1)N[13CH3] 34a_100000210798_200025704644 [0,0,0,0,0,1|0,0,0]=1 2308 B12R1.27 CC(CF)OCc1ccccc1 34a_100016041109_100015291786 [0,0,0,0,0,1|2,0,0]=3 2309 B12R1.27 CC(CF)OCc1ccccc1 7a_100016041109_100000211182 [0,0,0,0,0,1|2,0,0]=3 2310 B12R1.27 CC(CF)OCc1ccccn1 34a_100016041109_100000721315 [0,0,0,0,0,1|3,0,0]=4 2311 B12R1.27 CC(CF)OCc1ccccn1 7a_100016041109_100000721315 [0,0,0,0,0,1|3,0,0]=4 2312 B12R1.27 CC(CF)OCc1cccnc1 34a_100016041109_100000733263 [0,0,0,0,0,1|3,0,0]=4 2313 B12R1.27 CC(CF)OCc1cccnc1 7a_100016041109_100000741622 [0,0,0,0,0,1|3,0,0]=4 2314 B12R1.27 CC(CF)OCc1ccncc1 7a_100016041109_100015193705 [0,0,0,0,0,1|3,0,0]=4 2315 B12R1.27 CC(CN)OCc1ccccc1 34a_100000210904_100015291786 [0,0,0,0,0,1|2,0,0]=3 2316 B12R1.27 CC(CN)OCc1ccccn1 34a_100000210904_100000721315 [0,0,0,0,0,1|3,0,0]=4 2317 B12R1.27 CC(CN)OCc1cccnc1 34a_100000210904_100000733263 [0,0,0,0,0,1|3,0,0]=4 2318 B12R1.27 CC(CO)NCc1ccccc1 2230a_100015324214_100012180447 [0,0,0,0,0,1|2,0,0]=3 2319 B12R1.27 CC(CO)NCc1ccccc1 34a_100015324214_100012180447 [0,0,0,0,0,1|2,0,0]=3 2320 B12R1.27 CC(CO)OCc1ccccc1 34a_100000210790_100012180447 [0,0,0,0,0,1|2,0,0]=3 2321 B12R1.27 CC(CO)OCc1ccccc1 7a_100000210790_100012180447 [0,0,0,0,0,1|2,0,0]=3 2322 B12R1.27 CC(CO)SCc1ccccc1 62a_100012180447_100015291786 [0,0,0,0,0,1|2,0,0]=3 2323 B12R1.27 CC(CO)SCc1ccccn1 62a_100012180447_100000721315 [0,0,0,0,0,1|3,0,0]=4 2324 B12R1.27 CC(CO)SCc1cccnc1 62a_100012180447_100000741622 [0,0,0,0,0,1|3,0,0]=4 2325 B12R1.27 CC(CO)SCc1ccncc1 62a_100012180447_100015193705 [0,0,0,0,0,1|3,0,0]=4 2326 B12R1.27 CC(COc1ccccc1)N[13CH3] 2230a_100000746794_200025704644 [0,0,0,0,0,1|0,0,0]=1 2327 B12R1.27 CC(COc1ccccc1)N[13CH3] 34a_100000746794_200025704644 [0,0,0,0,0,1|0,0,0]=1 2328 B12R1.27 CC(COc1ccccc1)O[13CH3] 34a_100000210911_200025704644 [0,0,0,0,0,1|1,0,0]=2 2329 B12R1.27 CC(COc1ccccc1)O[13CH3] 7a_100000210911_200025704644 [0,0,0,0,0,1|1,0,0]=2 2330 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000185753_100000210202 [0,0,0,0,0,1|2,0,1]=4 2331 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000210414_100000765856 [0,0,0,0,0,1|2,0,1]=4 2332 B12R1.27 CCC(=O)COc1ccccc1 1458a_100000186222_100000210202 [0,0,0,0,0,1|2,0,1]=4 2333 B12R1.27 CCC(=O)COc1ccccc1 7a_100000210340_100000747405 [0,0,0,0,0,1|2,0,1]=4 2334 B12R1.27 CCC(=O)CSc1ccccc1 1458a_100000211596_100000210202 [0,0,0,0,0,1|2,0,1]=4 2335 B12R1.27 CCC(=O)CSc1ccccc1 62a_100000719477_100000747405 [0,0,0,0,0,1|2,0,1]=4 2336 B12R1.27 CCC(=O)CSc1ccccc1 62a_100000747405_100000041952 [0,0,0,0,0,1|2,0,1]=4 2337 B12R1.27 CCC(=O)NCc1ccccc1 11a_100015324214_100000210414 [0,0,0,0,0,1|2,0,1]=4 2338 B12R1.27 CCC(=O)NCc1ccccc1 1626a_100015324214_100000210414 [0,0,0,0,0,1|2,0,1]=4 2339 B12R1.27 CCC(=O)NCc1ccccc1 240690a_100015324214_100000210414 [0,0,0,0,0,1|2,0,1]=4 2340 B12R1.27 CCC(=O)NCc1ccccc1 527a_100015324214_100000210414 [0,0,0,0,0,1|2,0,1]=4 2341 B12R1.27 CCC(C)CNc1ccccc1 34a_100000106764_100000748023 [0,0,0,0,0,1|1,0,0]=2 2342 B12R1.27 CCC(C)CNc1cccnn1 27a_100020588543_100016991348 [0,0,0,0,0,1|3,0,0]=4 2343 B12R1.27 CCC(C)CNc1ccncn1 27a_100020588543_100000703185 [0,0,0,0,0,1|3,0,0]=4 2344 B12R1.27 CCC(C)CNc1cnccn1 27a_100020588543_100000211759 [0,0,0,0,0,1|3,0,0]=4 2345 B12R1.27 CCC(C)CNc1ncccn1 27a_100020588543_100000211032 [0,0,0,0,0,1|3,0,0]=4 2346 B12R1.27 CCC(C)COc1ccccc1 34a_100000210340_100000748023 [0,0,0,0,0,1|1,0,0]=2 2347 B12R1.27 CCC(C)COc1ccccc1 7a_100000210340_100000748023 [0,0,0,0,0,1|1,0,0]=2 2348 B12R1.27 CCC(C)COc1cccnc1 34a_100000210849_100000748023 [0,0,0,0,0,1|2,0,0]=3 2349 B12R1.27 CCC(C)COc1cccnc1 7a_100000210849_100000748023 [0,0,0,0,0,1|2,0,0]=3 2350 B12R1.27 CCC(C)COc1ccncc1 34a_100000212176_100000748023 [0,0,0,0,0,1|2,0,0]=3 2351 B12R1.27 CCC(C)COc1ccnnc1 34a_100015204005_100000748023 [0,0,0,0,0,1|3,0,0]=4 2352 B12R1.27 CCC(C)COc1cncnc1 7a_100000754086_100000748023 [0,0,0,0,0,1|3,0,0]=4 2353 B12R1.27 CCC(C)CSc1ccccc1 62a_100000719477_100000748023 [0,0,0,0,0,1|1,0,0]=2 2354 B12R1.27 CCC(C)CSc1ccccc1 62a_100000748023_100000041952 [0,0,0,0,0,1|1,0,0]=2 2355 B12R1.27 CCC(C)CSc1ccccn1 62a_100000748023_100011216584 [0,0,0,0,0,1|2,0,0]=3 2356 B12R1.27 CCC(C)CSc1ccccn1 62a_100011216584_100000748023 [0,0,0,0,0,1|2,0,0]=3 2357 B12R1.27 CCC(C)CSc1cccnc1 62a_100000210063_100000748023 [0,0,0,0,0,1|2,0,0]=3 2358 B12R1.27 CCC(C)CSc1cccnc1 62a_100000748023_100000210063 [0,0,0,0,0,1|2,0,0]=3 2359 B12R1.27 CCC(C)CSc1cccnn1 62a_100000748023_100016991348 [0,0,0,0,0,1|3,0,0]=4 2360 B12R1.27 CCC(C)CSc1cccnn1 62a_100016991348_100000748023 [0,0,0,0,0,1|3,0,0]=4 2361 B12R1.27 CCC(C)CSc1ccncc1 62a_100000728582_100000748023 [0,0,0,0,0,1|2,0,0]=3 2362 B12R1.27 CCC(C)CSc1ccncc1 62a_100000748023_100000728582 [0,0,0,0,0,1|2,0,0]=3 2363 B12R1.27 CCC(C)CSc1ccncn1 62a_100000703185_100000748023 [0,0,0,0,0,1|3,0,0]=4 2364 B12R1.27 CCC(C)CSc1ccncn1 62a_100000748023_100000703185 [0,0,0,0,0,1|3,0,0]=4 2365 B12R1.27 CCC(C)CSc1ccnnc1 62a_100000732662_100000748023 [0,0,0,0,0,1|3,0,0]=4 2366 B12R1.27 CCC(C)CSc1ccnnc1 62a_100000748023_100000732662 [0,0,0,0,0,1|3,0,0]=4 2367 B12R1.27 CCC(C)CSc1cnccn1 62a_100000211759_100000748023 [0,0,0,0,0,1|3,0,0]=4 2368 B12R1.27 CCC(C)CSc1cnccn1 62a_100000748023_100000211759 [0,0,0,0,0,1|3,0,0]=4 2369 B12R1.27 CCC(C)CSc1cncnc1 62a_100000748023_100011206942 [0,0,0,0,0,1|3,0,0]=4 2370 B12R1.27 CCC(C)CSc1cncnc1 62a_100011206942_100000748023 [0,0,0,0,0,1|3,0,0]=4 2371 B12R1.27 CCC(C)CSc1ncccn1 62a_100000211032_100000748023 [0,0,0,0,0,1|3,0,0]=4 2372 B12R1.27 CCC(C)CSc1ncccn1 62a_100000748023_100000211032 [0,0,0,0,0,1|3,0,0]=4 2373 B12R1.27 CCC(C)NCc1ccccc1 207a_100000209981_100015611070 [0,0,0,0,0,1|1,0,0]=2 2374 B12R1.27 CCC(C)NCc1ccccc1 2230a_100000209981_100015291786 [0,0,0,0,0,1|1,0,0]=2 2375 B12R1.27 CCC(C)NCc1ccccc1 2230a_100015324214_100000758301 [0,0,0,0,0,1|1,0,0]=2 2376 B12R1.27 CCC(C)NCc1ccccc1 270004a_100000209981_100015611070 [0,0,0,0,0,1|1,0,0]=2 2377 B12R1.27 CCC(C)NCc1ccccc1 34a_100015324214_100011215416 [0,0,0,0,0,1|1,0,0]=2 2378 B12R1.27 CCC(C)NCc1ccccn1 207a_100000209981_100000209966 [0,0,0,0,0,1|2,0,0]=3 2379 B12R1.27 CCC(C)NCc1ccccn1 2230a_100000209981_100000721315 [0,0,0,0,0,1|2,0,0]=3 2380 B12R1.27 CCC(C)NCc1ccccn1 270004a_100000209981_100000209966 [0,0,0,0,0,1|2,0,0]=3 2381 B12R1.27 CCC(C)NCc1cccnc1 207a_100000209981_100000209961 [0,0,0,0,0,1|2,0,0]=3 2382 B12R1.27 CCC(C)NCc1cccnc1 2230a_100000209981_100000741622 [0,0,0,0,0,1|2,0,0]=3 2383 B12R1.27 CCC(C)NCc1cccnc1 270004a_100000209981_100000209961 [0,0,0,0,0,1|2,0,0]=3 2384 B12R1.27 CCC(C)NCc1cccnn1 2230a_100000209981_100016990269 [0,0,0,0,0,1|3,0,0]=4 2385 B12R1.27 CCC(C)NCc1cccnn1 2230a_100159270163_100000758301 [0,0,0,0,0,1|3,0,0]=4 2386 B12R1.27 CCC(C)NCc1ccncc1 207a_100000209981_100000186114 [0,0,0,0,0,1|2,0,0]=3 2387 B12R1.27 CCC(C)NCc1ccncc1 2230a_100000209981_100015193705 [0,0,0,0,0,1|2,0,0]=3 2388 B12R1.27 CCC(C)NCc1ccnnc1 270004a_100000209981_100011934578 [0,0,0,0,0,1|3,0,0]=4 2389 B12R1.27 CCC(C)NCc1cnccn1 2230a_100000209981_100016995436 [0,0,0,0,0,1|3,0,0]=4 2390 B12R1.27 CCC(C)NCc1cnccn1 270004a_100000209981_100000749867 [0,0,0,0,0,1|3,0,0]=4 2391 B12R1.27 CCC(C)NCc1cncnc1 2230a_100000209981_100015196519 [0,0,0,0,0,1|3,0,0]=4 2392 B12R1.27 CCC(C)NCc1cncnc1 2230a_100011243677_100000758301 [0,0,0,0,0,1|3,0,0]=4 2393 B12R1.27 CCC(C)NCc1cncnc1 270004a_100000209981_100000749868 [0,0,0,0,0,1|3,0,0]=4 2394 B12R1.27 CCC(C)NCc1ncccn1 2230a_100000209981_100000703007 [0,0,0,0,0,1|3,0,0]=4 2395 B12R1.27 CCC(C)NCc1ncccn1 270004a_100000209981_100011532527 [0,0,0,0,0,1|3,0,0]=4 2396 B12R1.27 CCC(C)OCc1ccccc1 34a_100000210790_100011215416 [0,0,0,0,0,1|1,0,0]=2 2397 B12R1.27 CCC(C)OCc1ccccc1 7a_100000210228_100000211182 [0,0,0,0,0,1|1,0,0]=2 2398 B12R1.27 CCC(C)OCc1ccccc1 7a_100000210790_100000758301 [0,0,0,0,0,1|1,0,0]=2 2399 B12R1.27 CCC(C)OCc1ccccn1 7a_100000210228_100000721315 [0,0,0,0,0,1|2,0,0]=3 2400 B12R1.27 CCC(C)OCc1cccnc1 7a_100000210228_100000741622 [0,0,0,0,0,1|2,0,0]=3 2401 B12R1.27 CCC(C)OCc1cccnn1 7a_100000210228_100016990269 [0,0,0,0,0,1|3,0,0]=4 2402 B12R1.27 CCC(C)OCc1ccncc1 7a_100000210228_100015193705 [0,0,0,0,0,1|2,0,0]=3 2403 B12R1.27 CCC(C)OCc1cnccn1 7a_100000210228_100016995436 [0,0,0,0,0,1|3,0,0]=4 2404 B12R1.27 CCC(C)OCc1cncnc1 7a_100000210228_100015196519 [0,0,0,0,0,1|3,0,0]=4 2405 B12R1.27 CCC(C)OCc1ncccn1 7a_100000210228_100000703007 [0,0,0,0,0,1|3,0,0]=4 2406 B12R1.27 CCC(C)SCc1ccccc1 62a_100000211182_100000758301 [0,0,0,0,0,1|1,0,0]=2 2407 B12R1.27 CCC(C)SCc1ccccc1 62a_100000758301_100015291786 [0,0,0,0,0,1|1,0,0]=2 2408 B12R1.27 CCC(C)SCc1ccccn1 62a_100000721315_100000758301 [0,0,0,0,0,1|2,0,0]=3 2409 B12R1.27 CCC(C)SCc1ccccn1 62a_100000758301_100000721315 [0,0,0,0,0,1|2,0,0]=3 2410 B12R1.27 CCC(C)SCc1cccnc1 62a_100000741622_100000758301 [0,0,0,0,0,1|2,0,0]=3 2411 B12R1.27 CCC(C)SCc1cccnc1 62a_100000758301_100000741622 [0,0,0,0,0,1|2,0,0]=3 2412 B12R1.27 CCC(C)SCc1cccnn1 62a_100000758301_100016990269 [0,0,0,0,0,1|3,0,0]=4 2413 B12R1.27 CCC(C)SCc1cccnn1 62a_100016990269_100000758301 [0,0,0,0,0,1|3,0,0]=4 2414 B12R1.27 CCC(C)SCc1ccncc1 62a_100000758301_100015193705 [0,0,0,0,0,1|2,0,0]=3 2415 B12R1.27 CCC(C)SCc1ccncc1 62a_100015193705_100000758301 [0,0,0,0,0,1|2,0,0]=3 2416 B12R1.27 CCC(C)SCc1cnccn1 62a_100000758301_100016995436 [0,0,0,0,0,1|3,0,0]=4 2417 B12R1.27 CCC(C)SCc1cnccn1 62a_100016995436_100000758301 [0,0,0,0,0,1|3,0,0]=4 2418 B12R1.27 CCC(C)SCc1cncnc1 62a_100000758301_100015196519 [0,0,0,0,0,1|3,0,0]=4 2419 B12R1.27 CCC(C)SCc1cncnc1 62a_100015196519_100000758301 [0,0,0,0,0,1|3,0,0]=4 2420 B12R1.27 CCC(C)SCc1ncccn1 62a_100000703007_100000758301 [0,0,0,0,0,1|3,0,0]=4 2421 B12R1.27 CCC(C)SCc1ncccn1 62a_100000758301_100000703007 [0,0,0,0,0,1|3,0,0]=4 2422 B12R1.27 CCC(O)CNc1ccccc1 34a_100000106764_100011218378 [0,0,0,0,0,1|2,0,0]=3 2423 B12R1.27 CCC(O)COc1ccccc1 34a_100000210340_100011218378 [0,0,0,0,0,1|2,0,0]=3 2424 B12R1.27 CCC(O)COc1ccccc1 7a_100000210340_100011218378 [0,0,0,0,0,1|2,0,0]=3 2425 B12R1.27 CCC(O)COc1cccnc1 34a_100000210849_100011218378 [0,0,0,0,0,1|3,0,0]=4 2426 B12R1.27 CCC(O)COc1cccnc1 7a_100000210849_100011218378 [0,0,0,0,0,1|3,0,0]=4 2427 B12R1.27 CCC(O)COc1ccncc1 34a_100000212176_100011218378 [0,0,0,0,0,1|3,0,0]=4 2428 B12R1.27 CCC(O)CSc1ccccc1 62a_100000719477_100011218378 [0,0,0,0,0,1|2,0,0]=3 2429 B12R1.27 CCC(O)CSc1ccccc1 62a_100011218378_100000041952 [0,0,0,0,0,1|2,0,0]=3 2430 B12R1.27 CCC(O)CSc1ccccn1 62a_100011216584_100011218378 [0,0,0,0,0,1|3,0,0]=4 2431 B12R1.27 CCC(O)CSc1ccccn1 62a_100011218378_100011216584 [0,0,0,0,0,1|3,0,0]=4 2432 B12R1.27 CCC(O)CSc1cccnc1 62a_100000210063_100011218378 [0,0,0,0,0,1|3,0,0]=4 2433 B12R1.27 CCC(O)CSc1cccnc1 62a_100011218378_100000210063 [0,0,0,0,0,1|3,0,0]=4 2434 B12R1.27 CCC(O)CSc1ccncc1 62a_100000728582_100011218378 [0,0,0,0,0,1|3,0,0]=4 2435 B12R1.27 CCC(O)CSc1ccncc1 62a_100011218378_100000728582 [0,0,0,0,0,1|3,0,0]=4 2436 B12R1.27 CCN(C)CCc1ccccc1 2230a_100000207497_100000210202 [0,0,0,0,0,1|2,0,0]=3 2437 B12R1.27 CCN(C)CCc1ccccc1 2230a_100000225621_100000765856 [0,0,0,0,0,1|2,0,0]=3 2438 B12R1.27 CCN(C)CCc1ccccc1 2230a_100000741020_200000210301 [0,0,0,0,0,1|2,0,0]=3 2439 B12R1.27 CCN(C)CCc1ccccc1 269982a_100000207497_100000204670 [0,0,0,0,0,1|2,0,0]=3 2440 B12R1.27 CCN(C)CCc1ccccc1 269982a_100000225621_100000765856 [0,0,0,0,0,1|2,0,0]=3 2441 B12R1.27 CCN(C)CCc1ccccc1 269982a_100000741020_200000210301 [0,0,0,0,0,1|2,0,0]=3 2442 B12R1.27 CCN(C)CCc1ccccn1 2230a_100000225621_100015183660 [0,0,0,0,0,1|3,0,0]=4 2443 B12R1.27 CCN(C)CCc1ccccn1 2230a_100000227201_200000210301 [0,0,0,0,0,1|3,0,0]=4 2444 B12R1.27 CCN(C)CCc1ccccn1 2230a_100000737206_100000210202 [0,0,0,0,0,1|3,0,0]=4 2445 B12R1.27 CCN(C)CCc1ccccn1 269982a_100000225621_100015183660 [0,0,0,0,0,1|3,0,0]=4 2446 B12R1.27 CCN(C)CCc1ccccn1 269982a_100000227201_200000210301 [0,0,0,0,0,1|3,0,0]=4 2447 B12R1.27 CCN(C)CCc1ccccn1 269982a_100000737206_100000204670 [0,0,0,0,0,1|3,0,0]=4 2448 B12R1.27 CCN(C)CCc1cccnc1 2230a_100000225621_200011713674 [0,0,0,0,0,1|3,0,0]=4 2449 B12R1.27 CCN(C)CCc1cccnc1 2230a_100000763209_100000210202 [0,0,0,0,0,1|3,0,0]=4 2450 B12R1.27 CCN(C)CCc1cccnc1 269982a_100000225621_200011713674 [0,0,0,0,0,1|3,0,0]=4 2451 B12R1.27 CCN(C)CCc1cccnc1 269982a_100000763209_100000204670 [0,0,0,0,0,1|3,0,0]=4 2452 B12R1.27 CCN(C)CCc1ccncc1 2230a_100000225621_100000723409 [0,0,0,0,0,1|3,0,0]=4 2453 B12R1.27 CCN(C)CCc1ccncc1 2230a_100000742850_100000210202 [0,0,0,0,0,1|3,0,0]=4 2454 B12R1.27 CCN(C)CCc1ccncc1 269982a_100000225621_100000723409 [0,0,0,0,0,1|3,0,0]=4 2455 B12R1.27 CCN(C)CCc1ccncc1 269982a_100000742850_100000204670 [0,0,0,0,0,1|3,0,0]=4 2456 B12R1.27 CCN(C)CSc1ccccc1 2230a_100000225621_100011218342 [0,0,0,0,0,1|2,0,0]=3 2457 B12R1.27 CCN(C)CSc1ccccc1 269982a_100000225621_100011218342 [0,0,0,0,0,1|2,0,0]=3 2458 B12R1.27 CCN([13CH3])CCc1ccccc1 2230a_100000741020_200025704644 [0,0,0,0,0,1|2,0,0]=3 2459 B12R1.27 CCN([13CH3])CCc1ccccc1 269982a_100000741020_200025704644 [0,0,0,0,0,1|2,0,0]=3 2460 B12R1.27 CCN([13CH3])CCc1ccccn1 2230a_100000227201_200025704644 [0,0,0,0,0,1|3,0,0]=4 2461 B12R1.27 CCN([13CH3])CCc1ccccn1 269982a_100000227201_200025704644 [0,0,0,0,0,1|3,0,0]=4 2462 B12R1.27 CC[C@H](C)CNc1ccccc1 34a_100000106764_100009816398 [0,0,0,0,0,1|1,0,0]=2 2463 B12R1.27 CC[C@H](C)COc1ccccc1 34a_100000210340_100009816398 [0,0,0,0,0,1|1,0,0]=2 2464 B12R1.27 CC[C@H](C)COc1ccccc1 7a_100000210340_100009816398 [0,0,0,0,0,1|1,0,0]=2 2465 B12R1.27 CC[C@H](C)COc1cccnc1 34a_100000210849_100009816398 [0,0,0,0,0,1|2,0,0]=3 2466 B12R1.27 CC[C@H](C)COc1cccnc1 7a_100000210849_100009816398 [0,0,0,0,0,1|2,0,0]=3 2467 B12R1.27 CC[C@H](C)COc1ccncc1 34a_100000212176_100009816398 [0,0,0,0,0,1|2,0,0]=3 2468 B12R1.27 CC[C@H](C)COc1ccnnc1 34a_100015204005_100009816398 [0,0,0,0,0,1|3,0,0]=4 2469 B12R1.27 CC[C@H](C)COc1cncnc1 7a_100000754086_100009816398 [0,0,0,0,0,1|3,0,0]=4 2470 B12R1.27 CC[C@H](C)CSc1ccccc1 62a_100000719477_100009816398 [0,0,0,0,0,1|1,0,0]=2 2471 B12R1.27 CC[C@H](C)CSc1ccccc1 62a_100009816398_100000041952 [0,0,0,0,0,1|1,0,0]=2 2472 B12R1.27 CC[C@H](C)CSc1ccccn1 62a_100009816398_100011216584 [0,0,0,0,0,1|2,0,0]=3 2473 B12R1.27 CC[C@H](C)CSc1ccccn1 62a_100011216584_100009816398 [0,0,0,0,0,1|2,0,0]=3 2474 B12R1.27 CC[C@H](C)CSc1cccnc1 62a_100000210063_100009816398 [0,0,0,0,0,1|2,0,0]=3 2475 B12R1.27 CC[C@H](C)CSc1cccnc1 62a_100009816398_100000210063 [0,0,0,0,0,1|2,0,0]=3 2476 B12R1.27 CC[C@H](C)CSc1cccnn1 62a_100009816398_100016991348 [0,0,0,0,0,1|3,0,0]=4 2477 B12R1.27 CC[C@H](C)CSc1cccnn1 62a_100016991348_100009816398 [0,0,0,0,0,1|3,0,0]=4 2478 B12R1.27 CC[C@H](C)CSc1ccncc1 62a_100000728582_100009816398 [0,0,0,0,0,1|2,0,0]=3 2479 B12R1.27 CC[C@H](C)CSc1ccncc1 62a_100009816398_100000728582 [0,0,0,0,0,1|2,0,0]=3 2480 B12R1.27 CC[C@H](C)CSc1ccncn1 62a_100000703185_100009816398 [0,0,0,0,0,1|3,0,0]=4 2481 B12R1.27 CC[C@H](C)CSc1ccncn1 62a_100009816398_100000703185 [0,0,0,0,0,1|3,0,0]=4 2482 B12R1.27 CC[C@H](C)CSc1ccnnc1 62a_100000732662_100009816398 [0,0,0,0,0,1|3,0,0]=4 2483 B12R1.27 CC[C@H](C)CSc1ccnnc1 62a_100009816398_100000732662 [0,0,0,0,0,1|3,0,0]=4 2484 B12R1.27 CC[C@H](C)CSc1cnccn1 62a_100000211759_100009816398 [0,0,0,0,0,1|3,0,0]=4 2485 B12R1.27 CC[C@H](C)CSc1cnccn1 62a_100009816398_100000211759 [0,0,0,0,0,1|3,0,0]=4 2486 B12R1.27 CC[C@H](C)CSc1cncnc1 62a_100009816398_100011206942 [0,0,0,0,0,1|3,0,0]=4 2487 B12R1.27 CC[C@H](C)CSc1cncnc1 62a_100011206942_100009816398 [0,0,0,0,0,1|3,0,0]=4 2488 B12R1.27 CC[C@H](C)CSc1ncccn1 62a_100000211032_100009816398 [0,0,0,0,0,1|3,0,0]=4 2489 B12R1.27 CC[C@H](C)CSc1ncccn1 62a_100009816398_100000211032 [0,0,0,0,0,1|3,0,0]=4 2490 B12R1.27 CN(CF)CCc1ccccc1 269982a_100000207497_100015361967 [0,0,0,0,0,1|3,0,0]=4 2491 B12R1.27 CNC(=O)C#Cc1ccccc1 240690a_100102657272_100000736102 [0,0,0,0,0,1|1,0,2]=4 2492 B12R1.27 CNC(=O)C=Cc1ccccc1 11a_106832991635_100000210462 [0,0,0,0,0,1|1,0,2]=4 2493 B12R1.27 CNC(=O)C=Cc1ccccc1 1626a_100102657272_100000210462 [0,0,0,0,0,1|1,0,2]=4 2494 B12R1.27 CNC(=O)CCc1ccccc1 11a_106832991635_100000185753 [0,0,0,0,0,1|1,0,1]=3 2495 B12R1.27 CNC(=O)CCc1ccccc1 1626a_100102657272_100000185753 [0,0,0,0,0,1|1,0,1]=3 2496 B12R1.27 CNC(=O)CCc1ccccc1 240690a_100102657272_100000185753 [0,0,0,0,0,1|1,0,1]=3 2497 B12R1.27 CNC(=O)CCc1ccccc1 527a_100102657272_100000185753 [0,0,0,0,0,1|1,0,1]=3 2498 B12R1.27 CNC(=O)CCc1ccccn1 11a_106832991635_100015195070 [0,0,0,0,0,1|2,0,1]=4 2499 B12R1.27 CNC(=O)CCc1ccccn1 240690a_100102657272_100015195070 [0,0,0,0,0,1|2,0,1]=4 2500 B12R1.27 CNC(=O)CCc1ccccn1 527a_100102657272_100015195070 [0,0,0,0,0,1|2,0,1]=4 2501 B12R1.27 CNC(=O)CCc1cccnc1 11a_106832991635_100000198484 [0,0,0,0,0,1|2,0,1]=4 2502 B12R1.27 CNC(=O)CCc1cccnc1 1626a_100102657272_100000198484 [0,0,0,0,0,1|2,0,1]=4 2503 B12R1.27 CNC(=O)CCc1cccnc1 240690a_100102657272_100000198484 [0,0,0,0,0,1|2,0,1]=4 2504 B12R1.27 CNC(=O)CCc1cccnc1 527a_100102657272_100000198484 [0,0,0,0,0,1|2,0,1]=4 2505 B12R1.27 CNC(=O)CCc1ccncc1 11a_106832991635_100011225043 [0,0,0,0,0,1|2,0,1]=4 2506 B12R1.27 CNC(=O)CCc1ccncc1 240690a_100102657272_100011225043 [0,0,0,0,0,1|2,0,1]=4 2507 B12R1.27 CNC(=O)CCc1ccncc1 527a_100102657272_100011225043 [0,0,0,0,0,1|2,0,1]=4 2508 B12R1.27 CNC(=O)CNc1ccccc1 34a_100000106764_100000183359 [0,0,0,0,0,1|1,0,1]=3 2509 B12R1.27 CNC(=O)COc1ccccc1 11a_106832991635_100000186222 [0,0,0,0,0,1|1,0,1]=3 2510 B12R1.27 CNC(=O)COc1ccccc1 1626a_100102657272_100000186222 [0,0,0,0,0,1|1,0,1]=3 2511 B12R1.27 CNC(=O)COc1ccccc1 240690a_100102657272_100000186222 [0,0,0,0,0,1|1,0,1]=3 2512 B12R1.27 CNC(=O)COc1ccccc1 34a_100000210340_100000183359 [0,0,0,0,0,1|1,0,1]=3 2513 B12R1.27 CNC(=O)COc1ccccc1 527a_100102657272_100000186222 [0,0,0,0,0,1|1,0,1]=3 2514 B12R1.27 CNC(=O)COc1ccccc1 7a_100000210340_100000183359 [0,0,0,0,0,1|1,0,1]=3 2515 B12R1.27 CNC(=O)COc1ccccn1 1626a_100102657272_100102699861 [0,0,0,0,0,1|2,0,1]=4 2516 B12R1.27 CNC(=O)COc1ccccn1 240690a_100102657272_100102699861 [0,0,0,0,0,1|2,0,1]=4 2517 B12R1.27 CNC(=O)COc1ccccn1 527a_100102657272_100102699861 [0,0,0,0,0,1|2,0,1]=4 2518 B12R1.27 CNC(=O)COc1cccnc1 11a_106832991635_100015207166 [0,0,0,0,0,1|2,0,1]=4 2519 B12R1.27 CNC(=O)COc1cccnc1 1626a_100102657272_100015207166 [0,0,0,0,0,1|2,0,1]=4 2520 B12R1.27 CNC(=O)COc1cccnc1 240690a_100102657272_100015207166 [0,0,0,0,0,1|2,0,1]=4 2521 B12R1.27 CNC(=O)COc1cccnc1 34a_100000210849_100000183359 [0,0,0,0,0,1|2,0,1]=4 2522 B12R1.27 CNC(=O)COc1cccnc1 527a_100102657272_100015207166 [0,0,0,0,0,1|2,0,1]=4 2523 B12R1.27 CNC(=O)COc1cccnc1 7a_100000210849_100000183359 [0,0,0,0,0,1|2,0,1]=4 2524 B12R1.27 CNC(=O)COc1ccncc1 34a_100000212176_100000183359 [0,0,0,0,0,1|2,0,1]=4 2525 B12R1.27 CNC(=O)CSc1ccccc1 11a_106832991635_100000211596 [0,0,0,0,0,1|1,0,1]=3 2526 B12R1.27 CNC(=O)CSc1ccccc1 1626a_100102657272_100000211596 [0,0,0,0,0,1|1,0,1]=3 2527 B12R1.27 CNC(=O)CSc1ccccc1 240690a_100102657272_100000211596 [0,0,0,0,0,1|1,0,1]=3 2528 B12R1.27 CNC(=O)CSc1ccccc1 527a_100102657272_100000211596 [0,0,0,0,0,1|1,0,1]=3 2529 B12R1.27 CNC(=O)CSc1ccccc1 62a_100000183359_100000041952 [0,0,0,0,0,1|1,0,1]=3 2530 B12R1.27 CNC(=O)CSc1ccccc1 62a_100000719477_100000183359 [0,0,0,0,0,1|1,0,1]=3 2531 B12R1.27 CNC(=O)CSc1ccccn1 11a_106832991635_100000156281 [0,0,0,0,0,1|2,0,1]=4 2532 B12R1.27 CNC(=O)CSc1ccccn1 240690a_100102657272_100000156281 [0,0,0,0,0,1|2,0,1]=4 2533 B12R1.27 CNC(=O)CSc1ccccn1 527a_100102657272_100000156281 [0,0,0,0,0,1|2,0,1]=4 2534 B12R1.27 CNC(=O)CSc1ccccn1 62a_100000183359_100011216584 [0,0,0,0,0,1|2,0,1]=4 2535 B12R1.27 CNC(=O)CSc1ccccn1 62a_100011216584_100000183359 [0,0,0,0,0,1|2,0,1]=4 2536 B12R1.27 CNC(=O)CSc1cccnc1 62a_100000183359_100000210063 [0,0,0,0,0,1|2,0,1]=4 2537 B12R1.27 CNC(=O)CSc1cccnc1 62a_100000210063_100000183359 [0,0,0,0,0,1|2,0,1]=4 2538 B12R1.27 CNC(=O)CSc1ccncc1 11a_106832991635_100000211328 [0,0,0,0,0,1|2,0,1]=4 2539 B12R1.27 CNC(=O)CSc1ccncc1 1626a_100102657272_100000211328 [0,0,0,0,0,1|2,0,1]=4 2540 B12R1.27 CNC(=O)CSc1ccncc1 240690a_100102657272_100000211328 [0,0,0,0,0,1|2,0,1]=4 2541 B12R1.27 CNC(=O)CSc1ccncc1 527a_100102657272_100000211328 [0,0,0,0,0,1|2,0,1]=4 2542 B12R1.27 CNC(=O)CSc1ccncc1 62a_100000183359_100000728582 [0,0,0,0,0,1|2,0,1]=4 2543 B12R1.27 CNC(=O)CSc1ccncc1 62a_100000728582_100000183359 [0,0,0,0,0,1|2,0,1]=4 2544 B12R1.27 CNC(=O)NCc1ccccc1 2708a_100015324214_106832991635 [0,0,0,0,0,1|1,0,1]=3 2545 B12R1.27 CNC(=O)NCc1ccccc1 2708a_100102657272_100015324214 [0,0,0,0,0,1|1,0,1]=3 2546 B12R1.27 CNC(=O)NCc1ccccc1 273464a_100015324214_100102657272 [0,0,0,0,0,1|1,0,1]=3 2547 B12R1.27 CNC(=O)NCc1ccccc1 273464a_100102657272_100015324214 [0,0,0,0,0,1|1,0,1]=3 2548 B12R1.27 CNC(=O)NCc1ccccc1 512a_100015324214_100102657272 [0,0,0,0,0,1|1,0,1]=3 2549 B12R1.27 CNC(=O)NCc1ccccc1 512a_106832991638_100015324214 [0,0,0,0,0,1|1,0,1]=3 2550 B12R1.27 CNC(=O)NCc1ccccn1 2708a_100000210449_106832991635 [0,0,0,0,0,1|2,0,1]=4 2551 B12R1.27 CNC(=O)NCc1ccccn1 2708a_100102657272_100000210449 [0,0,0,0,0,1|2,0,1]=4 2552 B12R1.27 CNC(=O)NCc1ccccn1 273464a_100000210449_100102657272 [0,0,0,0,0,1|2,0,1]=4 2553 B12R1.27 CNC(=O)NCc1ccccn1 273464a_100102657272_100000210449 [0,0,0,0,0,1|2,0,1]=4 2554 B12R1.27 CNC(=O)NCc1ccccn1 512a_106832991638_100000210449 [0,0,0,0,0,1|2,0,1]=4 2555 B12R1.27 CNC(=O)NCc1cccnc1 2708a_100000210453_106832991635 [0,0,0,0,0,1|2,0,1]=4 2556 B12R1.27 CNC(=O)NCc1cccnc1 2708a_100102657272_100000210453 [0,0,0,0,0,1|2,0,1]=4 2557 B12R1.27 CNC(=O)NCc1cccnc1 273464a_100000210453_100102657272 [0,0,0,0,0,1|2,0,1]=4 2558 B12R1.27 CNC(=O)NCc1cccnc1 273464a_100102657272_100000210453 [0,0,0,0,0,1|2,0,1]=4 2559 B12R1.27 CNC(=O)NCc1cccnc1 512a_100000210453_100102657272 [0,0,0,0,0,1|2,0,1]=4 2560 B12R1.27 CNC(=O)NCc1cccnc1 512a_106832991638_100000210453 [0,0,0,0,0,1|2,0,1]=4 2561 B12R1.27 CNC(=O)NCc1ccncc1 2708a_100000210450_106832991635 [0,0,0,0,0,1|2,0,1]=4 2562 B12R1.27 CNC(=O)NCc1ccncc1 2708a_100102657272_100000210450 [0,0,0,0,0,1|2,0,1]=4 2563 B12R1.27 CNC(=O)NCc1ccncc1 273464a_100000210450_100102657272 [0,0,0,0,0,1|2,0,1]=4 2564 B12R1.27 CNC(=O)NCc1ccncc1 273464a_100102657272_100000210450 [0,0,0,0,0,1|2,0,1]=4 2565 B12R1.27 CNC(=O)NCc1ccncc1 512a_106832991638_100000210450 [0,0,0,0,0,1|2,0,1]=4 2566 B12R1.27 CNC(=O)NNc1ccccc1 273464a_100102657272_100015195140 [0,0,0,0,0,1|2,0,1]=4 2567 B12R1.27 CNC(=O)NNc1ccccc1 512a_106832991638_100015195140 [0,0,0,0,0,1|2,0,1]=4 2568 B12R1.27 CNC(C)CCc1ccccc1 2230a_100000210798_200000210301 [0,0,0,0,0,1|0,0,0]=1 2569 B12R1.27 CNC(C)CCc1ccccc1 270004a_106832991635_100000210092 [0,0,0,0,0,1|0,0,0]=1 2570 B12R1.27 CNC(C)CCc1ccccc1 34a_100000210798_200000210301 [0,0,0,0,0,1|0,0,0]=1 2571 B12R1.27 CNC(C)COc1ccccc1 2230a_100000746794_200000210301 [0,0,0,0,0,1|0,0,0]=1 2572 B12R1.27 CNC(C)COc1ccccc1 270004a_106832991635_100000150576 [0,0,0,0,0,1|0,0,0]=1 2573 B12R1.27 CNC(C)COc1ccccc1 34a_100000746794_200000210301 [0,0,0,0,0,1|0,0,0]=1 2574 B12R1.27 CNC(C)CSc1ccccc1 270004a_106832991635_100000150717 [0,0,0,0,0,1|0,0,0]=1 2575 B12R1.27 COC(=O)CNc1ccccc1 34a_100000106764_100000747449 [0,0,0,0,0,1|2,0,1]=4 2576 B12R1.27 COC(=O)COc1ccccc1 34a_100000210340_100000747449 [0,0,0,0,0,1|2,0,1]=4 2577 B12R1.27 COC(=O)COc1ccccc1 7a_100000210340_100000747449 [0,0,0,0,0,1|2,0,1]=4 2578 B12R1.27 COC(=O)CSc1ccccc1 62a_100000719477_100000747449 [0,0,0,0,0,1|2,0,1]=4 2579 B12R1.27 COC(=O)CSc1ccccc1 62a_100000747449_100000041952 [0,0,0,0,0,1|2,0,1]=4 2580 B12R1.27 COC(C)C#Cc1ccccc1 34a_200000065209_200000210301 [0,0,0,0,0,1|1,0,1]=3 2581 B12R1.27 COC(C)C#Cc1ccccc1 7a_200000065209_200000210301 [0,0,0,0,0,1|1,0,1]=3 2582 B12R1.27 COC(C)COc1ccccc1 34a_100000210911_200000210301 [0,0,0,0,0,1|1,0,0]=2 2583 B12R1.27 COC(C)COc1ccccc1 7a_100000210911_200000210301 [0,0,0,0,0,1|1,0,0]=2 2584 B12R1.27 COC(C)SCc1ccccc1 62a_100000211182_100009879195 [0,0,0,0,0,1|1,0,0]=2 2585 B12R1.27 COC(C)SCc1ccccc1 62a_100009879195_100015291786 [0,0,0,0,0,1|1,0,0]=2 2586 B12R1.27 COC(C)SCc1ccccn1 62a_100000721315_100009879195 [0,0,0,0,0,1|2,0,0]=3 2587 B12R1.27 COC(C)SCc1ccccn1 62a_100009879195_100000721315 [0,0,0,0,0,1|2,0,0]=3 2588 B12R1.27 COC(C)SCc1cccnc1 62a_100000741622_100009879195 [0,0,0,0,0,1|2,0,0]=3 2589 B12R1.27 COC(C)SCc1cccnc1 62a_100009879195_100000741622 [0,0,0,0,0,1|2,0,0]=3 2590 B12R1.27 COC(C)SCc1cccnn1 62a_100009879195_100016990269 [0,0,0,0,0,1|3,0,0]=4 2591 B12R1.27 COC(C)SCc1cccnn1 62a_100016990269_100009879195 [0,0,0,0,0,1|3,0,0]=4 2592 B12R1.27 COC(C)SCc1ccncc1 62a_100009879195_100015193705 [0,0,0,0,0,1|2,0,0]=3 2593 B12R1.27 COC(C)SCc1ccncc1 62a_100015193705_100009879195 [0,0,0,0,0,1|2,0,0]=3 2594 B12R1.27 COC(C)SCc1cnccn1 62a_100009879195_100016995436 [0,0,0,0,0,1|3,0,0]=4 2595 B12R1.27 COC(C)SCc1cnccn1 62a_100016995436_100009879195 [0,0,0,0,0,1|3,0,0]=4 2596 B12R1.27 COC(C)SCc1cncnc1 62a_100009879195_100015196519 [0,0,0,0,0,1|3,0,0]=4 2597 B12R1.27 COC(C)SCc1cncnc1 62a_100015196519_100009879195 [0,0,0,0,0,1|3,0,0]=4 2598 B12R1.27 COC(C)SCc1ncccn1 62a_100000703007_100009879195 [0,0,0,0,0,1|3,0,0]=4 2599 B12R1.27 COC(C)SCc1ncccn1 62a_100009879195_100000703007 [0,0,0,0,0,1|3,0,0]=4 2600 B12R1.27 CO[C@@H](C)CCc1ccccc1 34a_100009815974_200000210301 [0,0,0,0,0,1|1,0,0]=2 2601 B12R1.27 CO[C@@H](C)CCc1ccccc1 7a_100009815974_200000210301 [0,0,0,0,0,1|1,0,0]=2 2602 B12R1.27 CO[C@H](C)CNc1cccnn1 27a_100020591295_100016991348 [0,0,0,0,0,1|3,0,0]=4 2603 B12R1.27 CO[C@H](C)CNc1ccncn1 27a_100020591295_100000703185 [0,0,0,0,0,1|3,0,0]=4 2604 B12R1.27 CO[C@H](C)CNc1cnccn1 27a_100020591295_100000211759 [0,0,0,0,0,1|3,0,0]=4 2605 B12R1.27 CO[C@H](C)CNc1ncccn1 27a_100020591295_100000211032 [0,0,0,0,0,1|3,0,0]=4 2606 B12R1.27 C[C@@H](CCc1ccccc1)O[13CH3] 34a_100009815974_200025704644 [0,0,0,0,0,1|1,0,0]=2 2607 B12R1.27 C[C@@H](CCc1ccccc1)O[13CH3] 7a_100009815974_200025704644 [0,0,0,0,0,1|1,0,0]=2 2608 B12R1.27 C[C@@H](CO)CNc1ccccc1 34a_100000106764_100000059175 [0,0,0,0,0,1|2,0,0]=3 2609 B12R1.27 C[C@@H](CO)COc1ccccc1 34a_100000210340_100000059175 [0,0,0,0,0,1|2,0,0]=3 2610 B12R1.27 C[C@@H](CO)COc1ccccc1 7a_100000210340_100000059175 [0,0,0,0,0,1|2,0,0]=3 2611 B12R1.27 C[C@@H](CO)COc1cccnc1 34a_100000210849_100000059175 [0,0,0,0,0,1|3,0,0]=4 2612 B12R1.27 C[C@@H](CO)COc1cccnc1 7a_100000210849_100000059175 [0,0,0,0,0,1|3,0,0]=4 2613 B12R1.27 C[C@@H](CO)COc1ccncc1 34a_100000212176_100000059175 [0,0,0,0,0,1|3,0,0]=4 2614 B12R1.27 C[C@@H](CO)CSc1ccccc1 62a_100000059175_100000041952 [0,0,0,0,0,1|2,0,0]=3 2615 B12R1.27 C[C@@H](CO)CSc1ccccc1 62a_100000719477_100000059175 [0,0,0,0,0,1|2,0,0]=3 2616 B12R1.27 C[C@@H](CO)CSc1ccccn1 62a_100000059175_100011216584 [0,0,0,0,0,1|3,0,0]=4 2617 B12R1.27 C[C@@H](CO)CSc1ccccn1 62a_100011216584_100000059175 [0,0,0,0,0,1|3,0,0]=4 2618 B12R1.27 C[C@@H](CO)CSc1cccnc1 62a_100000059175_100000210063 [0,0,0,0,0,1|3,0,0]=4 2619 B12R1.27 C[C@@H](CO)CSc1cccnc1 62a_100000210063_100000059175 [0,0,0,0,0,1|3,0,0]=4 2620 B12R1.27 C[C@@H](CO)CSc1ccncc1 62a_100000059175_100000728582 [0,0,0,0,0,1|3,0,0]=4 2621 B12R1.27 C[C@@H](CO)CSc1ccncc1 62a_100000728582_100000059175 [0,0,0,0,0,1|3,0,0]=4 2622 B12R1.27 C[C@H](CF)NCc1ccccc1 207a_100102880703_100015611070 [0,0,0,0,0,1|2,0,0]=3 2623 B12R1.27 C[C@H](CF)NCc1ccccc1 270004a_100102880703_100015611070 [0,0,0,0,0,1|2,0,0]=3 2624 B12R1.27 C[C@H](CF)NCc1ccccn1 207a_100102880703_100000209966 [0,0,0,0,0,1|3,0,0]=4 2625 B12R1.27 C[C@H](CF)NCc1ccccn1 270004a_100102880703_100000209966 [0,0,0,0,0,1|3,0,0]=4 2626 B12R1.27 C[C@H](CF)NCc1cccnc1 207a_100102880703_100000209961 [0,0,0,0,0,1|3,0,0]=4 2627 B12R1.27 C[C@H](CF)NCc1cccnc1 270004a_100102880703_100000209961 [0,0,0,0,0,1|3,0,0]=4 2628 B12R1.27 C[C@H](CF)NCc1ccncc1 207a_100102880703_100000186114 [0,0,0,0,0,1|3,0,0]=4 2629 B12R1.27 C[C@H](CO)NCc1ccccc1 207a_100000737577_100015611070 [0,0,0,0,0,1|2,0,0]=3 2630 B12R1.27 C[C@H](CO)NCc1ccccc1 2230a_100000737577_100015291786 [0,0,0,0,0,1|2,0,0]=3 2631 B12R1.27 C[C@H](CO)NCc1ccccc1 270004a_100000737577_100015611070 [0,0,0,0,0,1|2,0,0]=3 2632 B12R1.27 C[C@H](CO)NCc1ccccn1 207a_100000737577_100000209966 [0,0,0,0,0,1|3,0,0]=4 2633 B12R1.27 C[C@H](CO)NCc1ccccn1 2230a_100000737577_100000721315 [0,0,0,0,0,1|3,0,0]=4 2634 B12R1.27 C[C@H](CO)NCc1ccccn1 270004a_100000737577_100000209966 [0,0,0,0,0,1|3,0,0]=4 2635 B12R1.27 C[C@H](CO)NCc1cccnc1 207a_100000737577_100000209961 [0,0,0,0,0,1|3,0,0]=4 2636 B12R1.27 C[C@H](CO)NCc1cccnc1 2230a_100000737577_100000741622 [0,0,0,0,0,1|3,0,0]=4 2637 B12R1.27 C[C@H](CO)NCc1cccnc1 270004a_100000737577_100000209961 [0,0,0,0,0,1|3,0,0]=4 2638 B12R1.27 C[C@H](CO)NCc1ccncc1 207a_100000737577_100000186114 [0,0,0,0,0,1|3,0,0]=4 2639 B12R1.27 C[C@H](CO)NCc1ccncc1 2230a_100000737577_100015193705 [0,0,0,0,0,1|3,0,0]=4 2640 B12R1.27 C[C@H](CO)SCc1ccccc1 62a_100000211182_100016084084 [0,0,0,0,0,1|2,0,0]=3 2641 B12R1.27 C[C@H](CO)SCc1ccccc1 62a_100016084084_100015291786 [0,0,0,0,0,1|2,0,0]=3 2642 B12R1.27 C[C@H](CO)SCc1ccccn1 62a_100000721315_100016084084 [0,0,0,0,0,1|3,0,0]=4 2643 B12R1.27 C[C@H](CO)SCc1ccccn1 62a_100016084084_100000721315 [0,0,0,0,0,1|3,0,0]=4 2644 B12R1.27 C[C@H](CO)SCc1cccnc1 62a_100000741622_100016084084 [0,0,0,0,0,1|3,0,0]=4 2645 B12R1.27 C[C@H](CO)SCc1cccnc1 62a_100016084084_100000741622 [0,0,0,0,0,1|3,0,0]=4 2646 B12R1.27 C[C@H](CO)SCc1ccncc1 62a_100015193705_100016084084 [0,0,0,0,0,1|3,0,0]=4 2647 B12R1.27 C[C@H](CO)SCc1ccncc1 62a_100016084084_100015193705 [0,0,0,0,0,1|3,0,0]=4 2648 B12R1.27 N#CC(F)SCc1ccccc1 62a_100000211182_200000117898 [0,0,0,0,0,1|3,0,0]=4 2649 B12R1.27 N#CC(F)SCc1ccccc1 62a_200000117898_100015291786 [0,0,0,0,0,1|3,0,0]=4 2650 B12R1.27 OCC(O)CNc1ccccc1 34a_100000106764_100011219619 [0,0,0,0,0,1|3,0,0]=4 2651 B12R1.27 OCC(O)COc1ccccc1 34a_100000210340_100011219619 [0,0,0,0,0,1|3,0,0]=4 2652 B12R1.27 OCC(O)COc1ccccc1 7a_100000210340_100011219619 [0,0,0,0,0,1|3,0,0]=4 2653 B12R1.27 OCC(O)CSc1ccccc1 62a_100000719477_100011219619 [0,0,0,0,0,1|3,0,0]=4 2654 B12R1.27 OCC(O)CSc1ccccc1 62a_100011219619_100000041952 [0,0,0,0,0,1|3,0,0]=4 2655 B12R1.27 OC[C@H](O)CNc1ccccc1 34a_100000106764_100009815848 [0,0,0,0,0,1|3,0,0]=4 2656 B12R1.27 OC[C@H](O)COc1ccccc1 34a_100000210340_100009815848 [0,0,0,0,0,1|3,0,0]=4 2657 B12R1.27 OC[C@H](O)COc1ccccc1 7a_100000210340_100009815848 [0,0,0,0,0,1|3,0,0]=4 2658 B12R1.27 OC[C@H](O)CSc1ccccc1 62a_100000719477_100009815848 [0,0,0,0,0,1|3,0,0]=4 2659 B12R1.27 OC[C@H](O)CSc1ccccc1 62a_100009815848_100000041952 [0,0,0,0,0,1|3,0,0]=4 2660 B12R1.27 O[C@@H](CF)CNc1ccccc1 34a_100000106764_100015614560 [0,0,0,0,0,1|3,0,0]=4 2661 B12R1.27 O[C@@H](CF)COc1ccccc1 34a_100000210340_100015614560 [0,0,0,0,0,1|3,0,0]=4 2662 B12R1.27 O[C@@H](CF)COc1ccccc1 7a_100000210340_100015614560 [0,0,0,0,0,1|3,0,0]=4 2663 B12R1.27 O[C@@H](CF)CSc1ccccc1 62a_100000719477_100015614560 [0,0,0,0,0,1|3,0,0]=4 2664 B12R1.27 O[C@@H](CF)CSc1ccccc1 62a_100015614560_100000041952 [0,0,0,0,0,1|3,0,0]=4 2665 B9R0.4 C=CC=CC(=O)CC(C)C 1458a_100016291481_100000210624 [1,0,1,0,0,0|1,0,0]=3 2666 B9R0.4 C=CC=CC(=O)CC(C)O 1458a_100016291481_100011218427 [1,0,1,0,0,0|2,0,0]=4 2667 B9R0.4 C=CC=CC(=O)NC(C)C 1626a_100138425928_100016291481 [1,0,1,0,0,0|2,0,0]=4 2668 B9R0.18 C=CC=CC(=O)CCCC 1458a_100016291481_100000210211 [1,0,1,0,0,0|2,0,0]=4 2669 B9R0.18 C=CC=CC(=O)CCOC 1458a_100016291481_100000233755 [1,0,1,0,0,0|2,0,0]=4 2670 B9R0.18 C=CC=CC(=O)CCSC 1458a_100016291481_100000751147 [1,0,1,0,0,0|2,0,0]=4 2671 B9R1.8 CC=Cc1ccccc1 271570a_100016259895_100000210277 [2,0,0,0,0,0|0,0,2]=4 2672 B9R1.8 CCNc1ccccc1 34a_100000106764_100000210202 [2,0,0,0,0,0|1,0,0]=3 2673 B9R1.8 CCOc1ccccc1 34a_100000210340_100000210202 [2,0,0,0,0,0|1,0,0]=3 2674 B9R1.8 CCOc1ccccc1 7a_100000210340_100000210202 [2,0,0,0,0,0|1,0,0]=3 2675 B9R1.8 CCOc1cccnc1 34a_100000210849_100000210202 [2,0,0,0,0,0|2,0,0]=4 2676 B9R1.8 CCOc1cccnc1 7a_100000210849_100000210202 [2,0,0,0,0,0|2,0,0]=4 2677 B9R1.8 CCOc1ccncc1 34a_100000212176_100000210202 [2,0,0,0,0,0|2,0,0]=4 2678 B9R1.8 CCSc1ccccc1 62a_100000210202_100000041952 [2,0,0,0,0,0|1,0,0]=3 2679 B9R1.8 CCSc1ccccc1 62a_100000719477_100000210202 [2,0,0,0,0,0|1,0,0]=3 2680 B9R1.8 CCSc1ccccn1 62a_100000210202_100011216584 [2,0,0,0,0,0|2,0,0]=4 2681 B9R1.8 CCSc1ccccn1 62a_100011216584_100000210202 [2,0,0,0,0,0|2,0,0]=4 2682 B9R1.8 CCSc1cccnc1 62a_100000210063_100000210202 [2,0,0,0,0,0|2,0,0]=4 2683 B9R1.8 CCSc1cccnc1 62a_100000210202_100000210063 [2,0,0,0,0,0|2,0,0]=4 2684 B9R1.8 CCSc1ccncc1 62a_100000210202_100000728582 [2,0,0,0,0,0|2,0,0]=4 2685 B9R1.8 CCSc1ccncc1 62a_100000728582_100000210202 [2,0,0,0,0,0|2,0,0]=4 2686 B9R1.8 CNCc1ccccc1 207a_100102657272_100015611070 [2,0,0,0,0,0|0,0,0]=2 2687 B9R1.8 CNCc1ccccc1 2230a_100015324214_200000210301 [2,0,0,0,0,0|0,0,0]=2 2688 B9R1.8 CNCc1ccccc1 2230a_106832991635_100015291786 [2,0,0,0,0,0|0,0,0]=2 2689 B9R1.8 CNCc1ccccc1 270004a_106832991635_100015611070 [2,0,0,0,0,0|0,0,0]=2 2690 B9R1.8 CNCc1ccccc1 34a_100015324214_200000210301 [2,0,0,0,0,0|0,0,0]=2 2691 B9R1.8 CNCc1ccccc1 34a_100102657272_100015291786 [2,0,0,0,0,0|0,0,0]=2 2692 B9R1.8 CNCc1ccccc1 7a_106832991635_100000211182 [2,0,0,0,0,0|0,0,0]=2 2693 B9R1.8 CNCc1ccccn1 207a_100102657272_100000209966 [2,0,0,0,0,0|1,0,0]=3 2694 B9R1.8 CNCc1ccccn1 2230a_106832991635_100000721315 [2,0,0,0,0,0|1,0,0]=3 2695 B9R1.8 CNCc1ccccn1 270004a_106832991635_100000209966 [2,0,0,0,0,0|1,0,0]=3 2696 B9R1.8 CNCc1ccccn1 34a_100102657272_100000721315 [2,0,0,0,0,0|1,0,0]=3 2697 B9R1.8 CNCc1ccccn1 7a_106832991635_100000721315 [2,0,0,0,0,0|1,0,0]=3 2698 B9R1.8 CNCc1cccnc1 207a_100102657272_100000209961 [2,0,0,0,0,0|1,0,0]=3 2699 B9R1.8 CNCc1cccnc1 2230a_106832991635_100000741622 [2,0,0,0,0,0|1,0,0]=3 2700 B9R1.8 CNCc1cccnc1 270004a_106832991635_100000209961 [2,0,0,0,0,0|1,0,0]=3 2701 B9R1.8 CNCc1cccnc1 34a_100102657272_100000733263 [2,0,0,0,0,0|1,0,0]=3 2702 B9R1.8 CNCc1cccnc1 7a_106832991635_100000741622 [2,0,0,0,0,0|1,0,0]=3 2703 B9R1.8 CNCc1cccnn1 2230a_100159270163_200000210301 [2,0,0,0,0,0|2,0,0]=4 2704 B9R1.8 CNCc1cccnn1 2230a_106832991635_100016990269 [2,0,0,0,0,0|2,0,0]=4 2705 B9R1.8 CNCc1cccnn1 34a_100102657272_100016990269 [2,0,0,0,0,0|2,0,0]=4 2706 B9R1.8 CNCc1cccnn1 7a_106832991635_100016990269 [2,0,0,0,0,0|2,0,0]=4 2707 B9R1.8 CNCc1ccncc1 207a_100102657272_100000186114 [2,0,0,0,0,0|1,0,0]=3 2708 B9R1.8 CNCc1ccncc1 2230a_106832991635_100015193705 [2,0,0,0,0,0|1,0,0]=3 2709 B9R1.8 CNCc1ccncc1 7a_106832991635_100015193705 [2,0,0,0,0,0|1,0,0]=3 2710 B9R1.8 CNCc1ccnnc1 270004a_106832991635_100011934578 [2,0,0,0,0,0|2,0,0]=4 2711 B9R1.8 CNCc1cnccn1 2230a_106832991635_100016995436 [2,0,0,0,0,0|2,0,0]=4 2712 B9R1.8 CNCc1cnccn1 270004a_106832991635_100000749867 [2,0,0,0,0,0|2,0,0]=4 2713 B9R1.8 CNCc1cnccn1 34a_100102657272_100016995436 [2,0,0,0,0,0|2,0,0]=4 2714 B9R1.8 CNCc1cnccn1 7a_106832991635_100016995436 [2,0,0,0,0,0|2,0,0]=4 2715 B9R1.8 CNCc1cncnc1 2230a_100011243677_200000210301 [2,0,0,0,0,0|2,0,0]=4 2716 B9R1.8 CNCc1cncnc1 2230a_106832991635_100015196519 [2,0,0,0,0,0|2,0,0]=4 2717 B9R1.8 CNCc1cncnc1 270004a_106832991635_100000749868 [2,0,0,0,0,0|2,0,0]=4 2718 B9R1.8 CNCc1cncnc1 34a_100102657272_100015196519 [2,0,0,0,0,0|2,0,0]=4 2719 B9R1.8 CNCc1cncnc1 7a_106832991635_100015196519 [2,0,0,0,0,0|2,0,0]=4 2720 B9R1.8 CNCc1ncccn1 2230a_106832991635_100000703007 [2,0,0,0,0,0|2,0,0]=4 2721 B9R1.8 CNCc1ncccn1 270004a_106832991635_100011532527 [2,0,0,0,0,0|2,0,0]=4 2722 B9R1.8 CNCc1ncccn1 34a_100102657272_100000703007 [2,0,0,0,0,0|2,0,0]=4 2723 B9R1.8 CNCc1ncccn1 7a_106832991635_100000703007 [2,0,0,0,0,0|2,0,0]=4 2724 B9R1.8 COCc1ccccc1 34a_100000210790_200000210301 [2,0,0,0,0,0|1,0,0]=3 2725 B9R1.8 COCc1ccccc1 34a_100138415774_100015291786 [2,0,0,0,0,0|1,0,0]=3 2726 B9R1.8 COCc1ccccc1 7a_100000210790_200000210301 [2,0,0,0,0,0|1,0,0]=3 2727 B9R1.8 COCc1ccccn1 34a_100138415774_100000721315 [2,0,0,0,0,0|2,0,0]=4 2728 B9R1.8 COCc1cccnc1 34a_100138415774_100000733263 [2,0,0,0,0,0|2,0,0]=4 2729 B9R1.8 CSCc1ccccc1 62a_100000211182_200000210301 [2,0,0,0,0,0|1,0,0]=3 2730 B9R1.8 CSCc1ccccc1 62a_200000210301_100015291786 [2,0,0,0,0,0|1,0,0]=3 2731 B9R1.8 CSCc1ccccn1 62a_100000721315_200000210301 [2,0,0,0,0,0|2,0,0]=4 2732 B9R1.8 CSCc1ccccn1 62a_200000210301_100000721315 [2,0,0,0,0,0|2,0,0]=4 2733 B9R1.8 CSCc1cccnc1 62a_100000741622_200000210301 [2,0,0,0,0,0|2,0,0]=4 2734 B9R1.8 CSCc1cccnc1 62a_200000210301_100000741622 [2,0,0,0,0,0|2,0,0]=4 2735 B9R1.8 CSCc1ccncc1 62a_100015193705_200000210301 [2,0,0,0,0,0|2,0,0]=4 2736 B9R1.8 CSCc1ccncc1 62a_200000210301_100015193705 [2,0,0,0,0,0|2,0,0]=4 2737 B9R1.8 FCNc1ccccc1 34a_100000106764_100015361967 [2,0,0,0,0,0|2,0,0]=4 2738 B9R1.8 FCOc1ccccc1 34a_100000210340_100015361967 [2,0,0,0,0,0|2,0,0]=4 2739 B9R1.8 FCOc1ccccc1 7a_100000210340_100015361967 [2,0,0,0,0,0|2,0,0]=4 2740 B9R1.8 FCSc1ccccc1 62a_100000719477_100015361967 [2,0,0,0,0,0|2,0,0]=4 2741 B9R1.8 FCSc1ccccc1 62a_100015361967_100000041952 [2,0,0,0,0,0|2,0,0]=4 2742 B9R1.8 [13CH3]NCc1ccccc1 2230a_100015324214_200025704644 [2,0,0,0,0,0|0,0,0]=2 2743 B9R1.8 [13CH3]NCc1ccccc1 34a_100015324214_200025704644 [2,0,0,0,0,0|0,0,0]=2 2744 B9R1.8 [13CH3]NCc1cccnn1 2230a_100159270163_200025704644 [2,0,0,0,0,0|2,0,0]=4 2745 B9R1.8 [13CH3]NCc1cncnc1 2230a_100011243677_200025704644 [2,0,0,0,0,0|2,0,0]=4 2746 B9R1.8 [13CH3]OCc1ccccc1 34a_100000210790_200025704644 [2,0,0,0,0,0|1,0,0]=3 2747 B9R1.8 [13CH3]OCc1ccccc1 7a_100000210790_200025704644 [2,0,0,0,0,0|1,0,0]=3 2748 B9R1.8 [13CH3]SCc1ccccc1 62a_100000211182_200025704644 [2,0,0,0,0,0|1,0,0]=3 2749 B9R1.8 [13CH3]SCc1ccccc1 62a_200025704644_100015291786 [2,0,0,0,0,0|1,0,0]=3 2750 B9R1.8 [13CH3]SCc1ccccn1 62a_100000721315_200025704644 [2,0,0,0,0,0|2,0,0]=4 2751 B9R1.8 [13CH3]SCc1ccccn1 62a_200025704644_100000721315 [2,0,0,0,0,0|2,0,0]=4 2752 B9R1.8 [13CH3]SCc1cccnc1 62a_100000741622_200025704644 [2,0,0,0,0,0|2,0,0]=4 2753 B9R1.8 [13CH3]SCc1cccnc1 62a_200025704644_100000741622 [2,0,0,0,0,0|2,0,0]=4 2754 B9R1.8 [13CH3]SCc1ccncc1 62a_100015193705_200025704644 [2,0,0,0,0,0|2,0,0]=4 2755 B9R1.8 [13CH3]SCc1ccncc1 62a_200025704644_100015193705 [2,0,0,0,0,0|2,0,0]=4 2756 B11R0.5 C=CC=CC(=O)CC(C)CCC 1458a_100016291481_100011216630 [0,1,1,0,0,0|2,0,0]=4 2757 B11R0.72 C=CC=CC(=O)CC(CC)CC 1458a_100016291481_100011215472 [0,1,1,0,0,0|2,0,0]=4 2758 B11R0.72 C=CC=CC(=O)CC(OC)OC 1458a_100016291481_100000751394 [0,1,1,0,0,0|2,0,0]=4 2759 B11R0.154 C/C=C/C=CC(=O)CC(C)CC 1458a_100000185730_100000748023 [0,1,1,0,0,0|2,0,0]=4 2760 B11R0.154 C/C=C/C=CC(=O)C[C@@H](C)CC 1458a_100000185730_100009816398 [0,1,1,0,0,0|2,0,0]=4 2761 B11R0.70 C=CC=CC(=O)NCC(C)CC 1626a_100020588543_100016291481 [0,1,1,0,0,0|2,0,0]=4 2762 B11R0.70 C=CC=CC(=O)NC[C@@H](C)OC 1626a_100020591295_100016291481 [0,1,1,0,0,0|2,0,0]=4 2763 B11R1.1 CCCCc1cc[n+](cc1)[O-] 271570a_100020621405_100000039755 [1,1,0,0,0,0|2,0,0]=4 2764 B11R1.1 CCCCc1ccc(=O)[nH]c1 271570a_100020621405_100000212171 [1,1,0,0,0,0|2,0,0]=4 2765 B11R1.1 CCCCc1ccc(cc1)Br 271570a_100020621405_100000752885 [1,1,0,0,0,0|1,0,0]=3 2766 B11R1.1 CCCCc1ccc(cc1)C 271570a_100020621405_100000186775 [1,1,0,0,0,0|1,0,0]=3 2767 B11R1.1 CCCCc1ccc(cc1)Cl 271570a_100020621405_100000755918 [1,1,0,0,0,0|1,0,0]=3 2768 B11R1.1 CCCCc1ccc(cc1)F 271570a_100020621405_100000211213 [1,1,0,0,0,0|1,0,0]=3 2769 B11R1.1 CCCCc1ccc(cc1)N 271570a_100020621405_100000185761 [1,1,0,0,0,0|1,0,0]=3 2770 B11R1.1 CCCCc1ccc(cc1)O 271570a_100020621405_100000185759 [1,1,0,0,0,0|1,0,0]=3 2771 B11R1.1 CCCCc1ccc(cc1)O 271570a_203496583355_100011215597 [1,1,0,0,0,0|1,0,0]=3 2772 B11R1.1 CCCCc1ccc(cn1)Br 271570a_100020621405_100000686858 [1,1,0,0,0,0|2,0,0]=4 2773 B11R1.1 CCCCc1ccc(cn1)C 271570a_100020621405_100000754016 [1,1,0,0,0,0|2,0,0]=4 2774 B11R1.1 CCCCc1ccc(cn1)Cl 271570a_100020621405_100011356976 [1,1,0,0,0,0|2,0,0]=4 2775 B11R1.1 CCCCc1ccc(cn1)F 271570a_100020621405_100000744514 [1,1,0,0,0,0|2,0,0]=4 2776 B11R1.1 CCCCc1ccc(cn1)N 271570a_100020621405_100000744251 [1,1,0,0,0,0|2,0,0]=4 2777 B11R1.1 CCCCc1ccc(cn1)O 271570a_100020621405_100000685995 [1,1,0,0,0,0|2,0,0]=4 2778 B11R1.1 CCCCc1ccc(nc1)Br 271570a_100020621405_100009814638 [1,1,0,0,0,0|2,0,0]=4 2779 B11R1.1 CCCCc1ccc(nc1)C 271570a_100020621405_100000751577 [1,1,0,0,0,0|2,0,0]=4 2780 B11R1.1 CCCCc1ccc(nc1)Cl 271570a_100020621405_100000034144 [1,1,0,0,0,0|2,0,0]=4 2781 B11R1.1 CCCCc1ccc(nc1)F 271570a_100020621405_100000748661 [1,1,0,0,0,0|2,0,0]=4 2782 B11R1.1 CCCCc1ccc(nc1)N 271570a_100020621405_100000187370 [1,1,0,0,0,0|2,0,0]=4 2783 B11R1.1 CCCNc1ccc(cc1)Br 2230a_100000210018_100000210303 [1,1,0,0,0,0|2,0,0]=4 2784 B11R1.1 CCCNc1ccc(cc1)Br 34a_100000210018_100000210303 [1,1,0,0,0,0|2,0,0]=4 2785 B11R1.1 CCCNc1ccc(cc1)C 34a_100000124888_100000210303 [1,1,0,0,0,0|2,0,0]=4 2786 B11R1.1 CCCNc1ccc(cc1)Cl 2230a_100000210052_100000210303 [1,1,0,0,0,0|2,0,0]=4 2787 B11R1.1 CCCNc1ccc(cc1)Cl 34a_100000210052_100000210303 [1,1,0,0,0,0|2,0,0]=4 2788 B11R1.1 CCCNc1ccc(cc1)F 34a_100000185862_100000210303 [1,1,0,0,0,0|2,0,0]=4 2789 B11R1.1 CCCNc1ccc(cc1)I 34a_100000185761_100000210303 [1,1,0,0,0,0|2,0,0]=4 2790 B11R1.1 CCCNc1ccc(cc1)O 34a_100000185829_100000210303 [1,1,0,0,0,0|2,0,0]=4 2791 B11R1.1 CCCOc1ccc(cc1)Br 34a_100000185759_100000210303 [1,1,0,0,0,0|2,0,0]=4 2792 B11R1.1 CCCOc1ccc(cc1)Br 7a_100000185759_100000210303 [1,1,0,0,0,0|2,0,0]=4 2793 B11R1.1 CCCOc1ccc(cc1)C 34a_100000210336_100000210303 [1,1,0,0,0,0|2,0,0]=4 2794 B11R1.1 CCCOc1ccc(cc1)C 7a_100000210336_100000210303 [1,1,0,0,0,0|2,0,0]=4 2795 B11R1.1 CCCOc1ccc(cc1)Cl 34a_100000210216_100000210303 [1,1,0,0,0,0|2,0,0]=4 2796 B11R1.1 CCCOc1ccc(cc1)Cl 7a_100000210216_100000210303 [1,1,0,0,0,0|2,0,0]=4 2797 B11R1.1 CCCOc1ccc(cc1)F 34a_100000210339_100000210303 [1,1,0,0,0,0|2,0,0]=4 2798 B11R1.1 CCCOc1ccc(cc1)I 34a_100000212066_100000210303 [1,1,0,0,0,0|2,0,0]=4 2799 B11R1.1 CCCOc1ccc(cc1)I 7a_100000212066_100000210303 [1,1,0,0,0,0|2,0,0]=4 2800 B11R1.1 CCCOc1ccc(cc1)N 34a_100000185829_100000210303 [1,1,0,0,0,0|2,0,0]=4 2801 B11R1.1 CCCOc1ccc(cc1)O 271570a_203496583355_100000169948 [1,1,0,0,0,0|2,0,0]=4 2802 B11R1.1 CCCSc1ccc(cc1)Br 62a_100000210303_100000752885 [1,1,0,0,0,0|2,0,0]=4 2803 B11R1.1 CCCSc1ccc(cc1)Br 62a_100000752885_100000210303 [1,1,0,0,0,0|2,0,0]=4 2804 B11R1.1 CCCSc1ccc(cc1)C 62a_100000186775_100000210303 [1,1,0,0,0,0|2,0,0]=4 2805 B11R1.1 CCCSc1ccc(cc1)C 62a_100000210303_100000186775 [1,1,0,0,0,0|2,0,0]=4 2806 B11R1.1 CCCSc1ccc(cc1)Cl 62a_100000210303_100000755918 [1,1,0,0,0,0|2,0,0]=4 2807 B11R1.1 CCCSc1ccc(cc1)Cl 62a_100000755918_100000210303 [1,1,0,0,0,0|2,0,0]=4 2808 B11R1.1 CCCSc1ccc(cc1)F 62a_100000210303_100000211213 [1,1,0,0,0,0|2,0,0]=4 2809 B11R1.1 CCCSc1ccc(cc1)F 62a_100000211213_100000210303 [1,1,0,0,0,0|2,0,0]=4 2810 B11R1.1 CCCSc1ccc(cc1)N 62a_100000185761_100000210303 [1,1,0,0,0,0|2,0,0]=4 2811 B11R1.1 CCCSc1ccc(cc1)N 62a_100000210303_100000185761 [1,1,0,0,0,0|2,0,0]=4 2812 B11R1.1 CCCSc1ccc(cc1)O 271570a_203496583355_200009811899 [1,1,0,0,0,0|2,0,0]=4 2813 B11R1.1 CCCSc1ccc(cc1)O 62a_100000210303_100000185759 [1,1,0,0,0,0|2,0,0]=4 2814 B11R1.1 CCNCc1ccc(cc1)Br 207a_100015525214_100000186029 [1,1,0,0,0,0|2,0,0]=4 2815 B11R1.1 CCNCc1ccc(cc1)Br 2230a_100000174875_100000210202 [1,1,0,0,0,0|2,0,0]=4 2816 B11R1.1 CCNCc1ccc(cc1)Br 2230a_100015525214_100011217064 [1,1,0,0,0,0|2,0,0]=4 2817 B11R1.1 CCNCc1ccc(cc1)Br 270004a_100015525214_100000186029 [1,1,0,0,0,0|2,0,0]=4 2818 B11R1.1 CCNCc1ccc(cc1)Br 34a_100000174875_100000210202 [1,1,0,0,0,0|2,0,0]=4 2819 B11R1.1 CCNCc1ccc(cc1)C 207a_100015525214_100000211033 [1,1,0,0,0,0|2,0,0]=4 2820 B11R1.1 CCNCc1ccc(cc1)C 2230a_100000174908_100000210202 [1,1,0,0,0,0|2,0,0]=4 2821 B11R1.1 CCNCc1ccc(cc1)C 2230a_100015525214_100000210814 [1,1,0,0,0,0|2,0,0]=4 2822 B11R1.1 CCNCc1ccc(cc1)C 270004a_100015525214_100000211033 [1,1,0,0,0,0|2,0,0]=4 2823 B11R1.1 CCNCc1ccc(cc1)C 34a_100000174908_100000210202 [1,1,0,0,0,0|2,0,0]=4 2824 B11R1.1 CCNCc1ccc(cc1)Cl 207a_100015525214_100000189385 [1,1,0,0,0,0|2,0,0]=4 2825 B11R1.1 CCNCc1ccc(cc1)Cl 2230a_100000174871_100000210202 [1,1,0,0,0,0|2,0,0]=4 2826 B11R1.1 CCNCc1ccc(cc1)Cl 2230a_100015525214_100000694040 [1,1,0,0,0,0|2,0,0]=4 2827 B11R1.1 CCNCc1ccc(cc1)Cl 270004a_100015525214_100000189385 [1,1,0,0,0,0|2,0,0]=4 2828 B11R1.1 CCNCc1ccc(cc1)Cl 34a_100000174871_100000210202 [1,1,0,0,0,0|2,0,0]=4 2829 B11R1.1 CCNCc1ccc(cc1)F 207a_100015525214_100000210084 [1,1,0,0,0,0|2,0,0]=4 2830 B11R1.1 CCNCc1ccc(cc1)F 2230a_100000174882_100000210202 [1,1,0,0,0,0|2,0,0]=4 2831 B11R1.1 CCNCc1ccc(cc1)F 2230a_100015525214_100000198546 [1,1,0,0,0,0|2,0,0]=4 2832 B11R1.1 CCNCc1ccc(cc1)F 270004a_100015525214_100000210084 [1,1,0,0,0,0|2,0,0]=4 2833 B11R1.1 CCNCc1ccc(cc1)F 34a_100000174882_100000210202 [1,1,0,0,0,0|2,0,0]=4 2834 B11R1.1 CCNCc1ccc(cc1)I 207a_100015525214_100000188517 [1,1,0,0,0,0|2,0,0]=4 2835 B11R1.1 CCNCc1ccc(cc1)I 2230a_100015525214_100000189116 [1,1,0,0,0,0|2,0,0]=4 2836 B11R1.1 CCNCc1ccc(cc1)I 2230a_100016989417_100000210202 [1,1,0,0,0,0|2,0,0]=4 2837 B11R1.1 CCNCc1ccc(cc1)I 34a_100016989417_100000210202 [1,1,0,0,0,0|2,0,0]=4 2838 B11R1.1 CCNCc1ccc(cc1)O 271570a_203496583355_100000187385 [1,1,0,0,0,0|2,0,0]=4 2839 B11R1.1 CCNCc1ccc(cc1)O 34a_100000185549_100000210202 [1,1,0,0,0,0|2,0,0]=4 2840 B11R1.1 CCOCc1ccc(cc1)Br 34a_100000695286_100000210202 [1,1,0,0,0,0|2,0,0]=4 2841 B11R1.1 CCOCc1ccc(cc1)Br 34a_100121572206_100000189115 [1,1,0,0,0,0|2,0,0]=4 2842 B11R1.1 CCOCc1ccc(cc1)C 34a_100011215236_100000210202 [1,1,0,0,0,0|2,0,0]=4 2843 B11R1.1 CCOCc1ccc(cc1)C 34a_100121572206_100000210814 [1,1,0,0,0,0|2,0,0]=4 2844 B11R1.1 CCOCc1ccc(cc1)C 7a_100011215236_100000210202 [1,1,0,0,0,0|2,0,0]=4 2845 B11R1.1 CCOCc1ccc(cc1)Cl 34a_100000211118_100000210202 [1,1,0,0,0,0|2,0,0]=4 2846 B11R1.1 CCOCc1ccc(cc1)Cl 34a_100121572206_100000694040 [1,1,0,0,0,0|2,0,0]=4 2847 B11R1.1 CCOCc1ccc(cc1)Cl 7a_100000211118_100000210202 [1,1,0,0,0,0|2,0,0]=4 2848 B11R1.1 CCOCc1ccc(cc1)F 34a_100000210977_100000210202 [1,1,0,0,0,0|2,0,0]=4 2849 B11R1.1 CCOCc1ccc(cc1)F 34a_100121572206_100000198546 [1,1,0,0,0,0|2,0,0]=4 2850 B11R1.1 CCOCc1ccc(cc1)F 7a_100000210977_100000210202 [1,1,0,0,0,0|2,0,0]=4 2851 B11R1.1 CCOCc1ccc(cc1)I 34a_100000690907_100000210202 [1,1,0,0,0,0|2,0,0]=4 2852 B11R1.1 CCOCc1ccc(cc1)I 34a_100121572206_100000189116 [1,1,0,0,0,0|2,0,0]=4 2853 B11R1.1 CCOCc1ccc(cc1)I 7a_100000690907_100000210202 [1,1,0,0,0,0|2,0,0]=4 2854 B11R1.1 CCOCc1ccc(cc1)N 34a_100011215238_100000210202 [1,1,0,0,0,0|2,0,0]=4 2855 B11R1.1 CCOCc1ccc(cc1)O 271570a_203496583355_100000758564 [1,1,0,0,0,0|2,0,0]=4 2856 B11R1.1 CCSCc1ccc(cc1)Br 62a_100000189115_100000210202 [1,1,0,0,0,0|2,0,0]=4 2857 B11R1.1 CCSCc1ccc(cc1)Br 62a_100000210202_100000189115 [1,1,0,0,0,0|2,0,0]=4 2858 B11R1.1 CCSCc1ccc(cc1)C 62a_100000210202_100000210814 [1,1,0,0,0,0|2,0,0]=4 2859 B11R1.1 CCSCc1ccc(cc1)C 62a_100000210814_100000210202 [1,1,0,0,0,0|2,0,0]=4 2860 B11R1.1 CCSCc1ccc(cc1)Cl 62a_100000187161_100000210202 [1,1,0,0,0,0|2,0,0]=4 2861 B11R1.1 CCSCc1ccc(cc1)Cl 62a_100000210202_100000187161 [1,1,0,0,0,0|2,0,0]=4 2862 B11R1.1 CCSCc1ccc(cc1)F 62a_100000198546_100000210202 [1,1,0,0,0,0|2,0,0]=4 2863 B11R1.1 CCSCc1ccc(cc1)F 62a_100000210202_100000187164 [1,1,0,0,0,0|2,0,0]=4 2864 B11R1.1 CCSCc1ccc(cc1)I 62a_100000189116_100000210202 [1,1,0,0,0,0|2,0,0]=4 2865 B11R1.1 CCSCc1ccc(cc1)I 62a_100000210202_100000189116 [1,1,0,0,0,0|2,0,0]=4 2866 B11R1.1 CNCCc1ccc(cc1)Br 2230a_100000755846_200000210301 [1,1,0,0,0,0|0,0,0]=2 2867 B11R1.1 CNCCc1ccc(cc1)Br 2230a_106832991635_100011740612 [1,1,0,0,0,0|0,0,0]=2 2868 B11R1.1 CNCCc1ccc(cc1)Br 34a_100000755846_200000210301 [1,1,0,0,0,0|0,0,0]=2 2869 B11R1.1 CNCCc1ccc(cc1)Br 34a_100102657272_100011740612 [1,1,0,0,0,0|0,0,0]=2 2870 B11R1.1 CNCCc1ccc(cc1)Br 7a_106832991635_100011740612 [1,1,0,0,0,0|0,0,0]=2 2871 B11R1.1 CNCCc1ccc(cc1)C 2230a_100000705350_200000210301 [1,1,0,0,0,0|0,0,0]=2 2872 B11R1.1 CNCCc1ccc(cc1)C 2230a_106832991635_100011713686 [1,1,0,0,0,0|0,0,0]=2 2873 B11R1.1 CNCCc1ccc(cc1)C 34a_100000705350_200000210301 [1,1,0,0,0,0|0,0,0]=2 2874 B11R1.1 CNCCc1ccc(cc1)C 34a_100102657272_100011713686 [1,1,0,0,0,0|0,0,0]=2 2875 B11R1.1 CNCCc1ccc(cc1)C 7a_106832991635_100011713686 [1,1,0,0,0,0|0,0,0]=2 2876 B11R1.1 CNCCc1ccc(cc1)Cl 2230a_100000185265_200000210301 [1,1,0,0,0,0|0,0,0]=2 2877 B11R1.1 CNCCc1ccc(cc1)Cl 2230a_106832991635_100011713675 [1,1,0,0,0,0|0,0,0]=2 2878 B11R1.1 CNCCc1ccc(cc1)Cl 34a_100000185265_200000210301 [1,1,0,0,0,0|0,0,0]=2 2879 B11R1.1 CNCCc1ccc(cc1)Cl 34a_100102657272_100011713675 [1,1,0,0,0,0|0,0,0]=2 2880 B11R1.1 CNCCc1ccc(cc1)Cl 7a_106832991635_100011713675 [1,1,0,0,0,0|0,0,0]=2 2881 B11R1.1 CNCCc1ccc(cc1)F 2230a_100000199005_200000210301 [1,1,0,0,0,0|0,0,0]=2 2882 B11R1.1 CNCCc1ccc(cc1)F 2230a_106832991635_100011217392 [1,1,0,0,0,0|0,0,0]=2 2883 B11R1.1 CNCCc1ccc(cc1)F 34a_100000199005_200000210301 [1,1,0,0,0,0|0,0,0]=2 2884 B11R1.1 CNCCc1ccc(cc1)F 34a_100102657272_100011217392 [1,1,0,0,0,0|0,0,0]=2 2885 B11R1.1 CNCCc1ccc(cc1)F 7a_106832991635_100011217392 [1,1,0,0,0,0|0,0,0]=2 2886 B11R1.1 CNCCc1ccc(cc1)O 2230a_106832991635_100009816426 [1,1,0,0,0,0|0,0,0]=2 2887 B11R1.1 CNCCc1ccc(cc1)O 271570a_203496583355_100000752880 [1,1,0,0,0,0|0,0,0]=2 2888 B11R1.1 CNCCc1ccc(cc1)O 34a_100000743037_200000210301 [1,1,0,0,0,0|0,0,0]=2 2889 B11R1.1 CNCCc1ccc(cc1)O 7a_106832991635_100009816426 [1,1,0,0,0,0|0,0,0]=2 2890 B11R1.1 COCCc1ccc(cc1)Br 34a_100000766406_200000210301 [1,1,0,0,0,0|1,0,0]=3 2891 B11R1.1 COCCc1ccc(cc1)Br 34a_100138415774_100011740612 [1,1,0,0,0,0|1,0,0]=3 2892 B11R1.1 COCCc1ccc(cc1)Br 7a_100000766406_200000210301 [1,1,0,0,0,0|1,0,0]=3 2893 B11R1.1 COCCc1ccc(cc1)C 34a_100000756670_200000210301 [1,1,0,0,0,0|1,0,0]=3 2894 B11R1.1 COCCc1ccc(cc1)C 34a_100138415774_100011713686 [1,1,0,0,0,0|1,0,0]=3 2895 B11R1.1 COCCc1ccc(cc1)C 7a_100000756670_200000210301 [1,1,0,0,0,0|1,0,0]=3 2896 B11R1.1 COCCc1ccc(cc1)Cl 34a_100011219627_200000210301 [1,1,0,0,0,0|1,0,0]=3 2897 B11R1.1 COCCc1ccc(cc1)Cl 34a_100138415774_100011713675 [1,1,0,0,0,0|1,0,0]=3 2898 B11R1.1 COCCc1ccc(cc1)Cl 7a_100011219627_200000210301 [1,1,0,0,0,0|1,0,0]=3 2899 B11R1.1 COCCc1ccc(cc1)F 34a_100000754732_200000210301 [1,1,0,0,0,0|1,0,0]=3 2900 B11R1.1 COCCc1ccc(cc1)F 34a_100138415774_100011217392 [1,1,0,0,0,0|1,0,0]=3 2901 B11R1.1 COCCc1ccc(cc1)F 7a_100000754732_200000210301 [1,1,0,0,0,0|1,0,0]=3 2902 B11R1.1 COCCc1ccc(cc1)I 34a_100012291149_200000210301 [1,1,0,0,0,0|1,0,0]=3 2903 B11R1.1 COCCc1ccc(cc1)I 7a_100012291149_200000210301 [1,1,0,0,0,0|1,0,0]=3 2904 B11R1.1 COCCc1ccc(cc1)N 34a_100011204434_200000210301 [1,1,0,0,0,0|1,0,0]=3 2905 B11R1.1 COCCc1ccc(cc1)O 271570a_203496583355_100000739703 [1,1,0,0,0,0|1,0,0]=3 2906 B11R1.1 COCCc1ccc(cn1)Br 34a_100012357577_200000210301 [1,1,0,0,0,0|2,0,0]=4 2907 B11R1.1 COCCc1ccc(nc1)C 34a_100011815783_200000210301 [1,1,0,0,0,0|2,0,0]=4 2908 B11R1.1 COCCc1ccc(nc1)Cl 34a_100009880866_200000210301 [1,1,0,0,0,0|2,0,0]=4 2909 B11R1.1 COCCc1ccc(nc1)Cl 7a_100009880866_200000210301 [1,1,0,0,0,0|2,0,0]=4 2910 B11R1.1 COCNc1ccc(cc1)Br 2230a_100000210018_100000766300 [1,1,0,0,0,0|2,0,0]=4 2911 B11R1.1 COCNc1ccc(cc1)Cl 2230a_100000210052_100000766300 [1,1,0,0,0,0|2,0,0]=4 2912 B11R1.1 COCOc1ccc(cc1)O 271570a_203496583355_100012265687 [1,1,0,0,0,0|2,0,0]=4 2913 B11R1.1 COCSc1ccc(cc1)Br 62a_100000752885_100000766300 [1,1,0,0,0,0|2,0,0]=4 2914 B11R1.1 COCSc1ccc(cc1)Br 62a_100000766300_100000752885 [1,1,0,0,0,0|2,0,0]=4 2915 B11R1.1 COCSc1ccc(cc1)C 62a_100000186775_100000766300 [1,1,0,0,0,0|2,0,0]=4 2916 B11R1.1 COCSc1ccc(cc1)C 62a_100000766300_100000186775 [1,1,0,0,0,0|2,0,0]=4 2917 B11R1.1 COCSc1ccc(cc1)Cl 62a_100000755918_100000766300 [1,1,0,0,0,0|2,0,0]=4 2918 B11R1.1 COCSc1ccc(cc1)Cl 62a_100000766300_100000755918 [1,1,0,0,0,0|2,0,0]=4 2919 B11R1.1 COCSc1ccc(cc1)F 62a_100000211213_100000766300 [1,1,0,0,0,0|2,0,0]=4 2920 B11R1.1 COCSc1ccc(cc1)F 62a_100000766300_100000211213 [1,1,0,0,0,0|2,0,0]=4 2921 B11R1.1 COCSc1ccc(cc1)N 62a_100000185761_100000766300 [1,1,0,0,0,0|2,0,0]=4 2922 B11R1.1 COCSc1ccc(cc1)N 62a_100000766300_100000185761 [1,1,0,0,0,0|2,0,0]=4 2923 B11R1.1 COCSc1ccc(cc1)O 62a_100000766300_100000185759 [1,1,0,0,0,0|2,0,0]=4 2924 B11R1.1 CSCCc1ccc(cc1)Br 62a_100011740612_200000210301 [1,1,0,0,0,0|1,0,0]=3 2925 B11R1.1 CSCCc1ccc(cc1)Br 62a_200000210301_100011740612 [1,1,0,0,0,0|1,0,0]=3 2926 B11R1.1 CSCCc1ccc(cc1)C 62a_100011713686_200000210301 [1,1,0,0,0,0|1,0,0]=3 2927 B11R1.1 CSCCc1ccc(cc1)C 62a_200000210301_100011713686 [1,1,0,0,0,0|1,0,0]=3 2928 B11R1.1 CSCCc1ccc(cc1)Cl 62a_100011713675_200000210301 [1,1,0,0,0,0|1,0,0]=3 2929 B11R1.1 CSCCc1ccc(cc1)Cl 62a_200000210301_100011713675 [1,1,0,0,0,0|1,0,0]=3 2930 B11R1.1 CSCCc1ccc(cc1)F 62a_100011217392_200000210301 [1,1,0,0,0,0|1,0,0]=3 2931 B11R1.1 CSCCc1ccc(cc1)F 62a_200000210301_100011217392 [1,1,0,0,0,0|1,0,0]=3 2932 B11R1.1 CSCCc1ccc(cc1)O 62a_100009816426_200000210301 [1,1,0,0,0,0|1,0,0]=3 2933 B11R1.1 CSCCc1ccc(cc1)O 62a_200000210301_100009816426 [1,1,0,0,0,0|1,0,0]=3 2934 B11R1.1 CSCNc1ccc(cc1)Br 2230a_100000210018_100011218213 [1,1,0,0,0,0|2,0,0]=4 2935 B11R1.1 CSCNc1ccc(cc1)Br 34a_100000210018_100011218213 [1,1,0,0,0,0|2,0,0]=4 2936 B11R1.1 CSCNc1ccc(cc1)C 34a_100000124888_100011218213 [1,1,0,0,0,0|2,0,0]=4 2937 B11R1.1 CSCNc1ccc(cc1)Cl 2230a_100000210052_100011218213 [1,1,0,0,0,0|2,0,0]=4 2938 B11R1.1 CSCNc1ccc(cc1)Cl 34a_100000210052_100011218213 [1,1,0,0,0,0|2,0,0]=4 2939 B11R1.1 CSCNc1ccc(cc1)F 34a_100000185862_100011218213 [1,1,0,0,0,0|2,0,0]=4 2940 B11R1.1 CSCNc1ccc(cc1)I 34a_100000185761_100011218213 [1,1,0,0,0,0|2,0,0]=4 2941 B11R1.1 CSCNc1ccc(cc1)O 34a_100000185829_100011218213 [1,1,0,0,0,0|2,0,0]=4 2942 B11R1.1 CSCOc1ccc(cc1)Br 34a_100000185759_100011218213 [1,1,0,0,0,0|2,0,0]=4 2943 B11R1.1 CSCOc1ccc(cc1)C 34a_100000210336_100011218213 [1,1,0,0,0,0|2,0,0]=4 2944 B11R1.1 CSCOc1ccc(cc1)Cl 34a_100000210216_100011218213 [1,1,0,0,0,0|2,0,0]=4 2945 B11R1.1 CSCOc1ccc(cc1)F 34a_100000210339_100011218213 [1,1,0,0,0,0|2,0,0]=4 2946 B11R1.1 CSCOc1ccc(cc1)I 34a_100000212066_100011218213 [1,1,0,0,0,0|2,0,0]=4 2947 B11R1.1 CSCOc1ccc(cc1)N 34a_100000185829_100011218213 [1,1,0,0,0,0|2,0,0]=4 2948 B11R1.1 CSCSc1ccc(cc1)Br 62a_100000752885_100011218213 [1,1,0,0,0,0|2,0,0]=4 2949 B11R1.1 CSCSc1ccc(cc1)Br 62a_100011218213_100000752885 [1,1,0,0,0,0|2,0,0]=4 2950 B11R1.1 CSCSc1ccc(cc1)C 62a_100000186775_100011218213 [1,1,0,0,0,0|2,0,0]=4 2951 B11R1.1 CSCSc1ccc(cc1)C 62a_100011218213_100000186775 [1,1,0,0,0,0|2,0,0]=4 2952 B11R1.1 CSCSc1ccc(cc1)Cl 62a_100000755918_100011218213 [1,1,0,0,0,0|2,0,0]=4 2953 B11R1.1 CSCSc1ccc(cc1)Cl 62a_100011218213_100000755918 [1,1,0,0,0,0|2,0,0]=4 2954 B11R1.1 CSCSc1ccc(cc1)F 62a_100000211213_100011218213 [1,1,0,0,0,0|2,0,0]=4 2955 B11R1.1 CSCSc1ccc(cc1)F 62a_100011218213_100000211213 [1,1,0,0,0,0|2,0,0]=4 2956 B11R1.1 CSCSc1ccc(cc1)N 62a_100000185761_100011218213 [1,1,0,0,0,0|2,0,0]=4 2957 B11R1.1 CSCSc1ccc(cc1)N 62a_100011218213_100000185761 [1,1,0,0,0,0|2,0,0]=4 2958 B11R1.1 CSCSc1ccc(cc1)O 62a_100011218213_100000185759 [1,1,0,0,0,0|2,0,0]=4 2959 B11R1.1 Cc1ccc(cc1)CCN[13CH3] 2230a_100000705350_200025704644 [1,1,0,0,0,0|0,0,0]=2 2960 B11R1.1 Cc1ccc(cc1)CCN[13CH3] 34a_100000705350_200025704644 [1,1,0,0,0,0|0,0,0]=2 2961 B11R1.1 Cc1ccc(cc1)CCO[13CH3] 34a_100000756670_200025704644 [1,1,0,0,0,0|1,0,0]=3 2962 B11R1.1 Cc1ccc(cc1)CCO[13CH3] 7a_100000756670_200025704644 [1,1,0,0,0,0|1,0,0]=3 2963 B11R1.1 Cc1ccc(cc1)CCS[13CH3] 62a_100011713686_200025704644 [1,1,0,0,0,0|1,0,0]=3 2964 B11R1.1 Cc1ccc(cc1)CCS[13CH3] 62a_200025704644_100011713686 [1,1,0,0,0,0|1,0,0]=3 2965 B11R1.1 Cc1ccc(cn1)CCO[13CH3] 34a_100011815783_200025704644 [1,1,0,0,0,0|2,0,0]=4 2966 B11R1.1 N#CCCc1ccc(cc1)O 271570a_203496583355_100011216407 [1,1,0,0,0,0|2,0,0]=4 2967 B11R1.1 NCCCc1ccc(cc1)O 271570a_203496583355_100011297623 [1,1,0,0,0,0|2,0,0]=4 2968 B11R1.1 O=CCCc1ccc(cc1)O 271570a_203496583355_100011361538 [1,1,0,0,0,0|2,0,0]=4 2969 B11R1.1 OCCCc1ccc(cc1)O 271570a_203496583355_100011709247 [1,1,0,0,0,0|2,0,0]=4 2970 B11R1.1 [13CH3]NCCc1ccc(cc1)Br 2230a_100000755846_200025704644 [1,1,0,0,0,0|0,0,0]=2 2971 B11R1.1 [13CH3]NCCc1ccc(cc1)Br 34a_100000755846_200025704644 [1,1,0,0,0,0|0,0,0]=2 2972 B11R1.1 [13CH3]NCCc1ccc(cc1)Cl 2230a_100000185265_200025704644 [1,1,0,0,0,0|0,0,0]=2 2973 B11R1.1 [13CH3]NCCc1ccc(cc1)Cl 34a_100000185265_200025704644 [1,1,0,0,0,0|0,0,0]=2 2974 B11R1.1 [13CH3]NCCc1ccc(cc1)F 2230a_100000199005_200025704644 [1,1,0,0,0,0|0,0,0]=2 2975 B11R1.1 [13CH3]NCCc1ccc(cc1)F 34a_100000199005_200025704644 [1,1,0,0,0,0|0,0,0]=2 2976 B11R1.1 [13CH3]NCCc1ccc(cc1)O 34a_100000743037_200025704644 [1,1,0,0,0,0|0,0,0]=2 2977 B11R1.1 [13CH3]OCCc1ccc(cc1)Br 34a_100000766406_200025704644 [1,1,0,0,0,0|1,0,0]=3 2978 B11R1.1 [13CH3]OCCc1ccc(cc1)Br 7a_100000766406_200025704644 [1,1,0,0,0,0|1,0,0]=3 2979 B11R1.1 [13CH3]OCCc1ccc(cc1)Cl 34a_100011219627_200025704644 [1,1,0,0,0,0|1,0,0]=3 2980 B11R1.1 [13CH3]OCCc1ccc(cc1)Cl 7a_100011219627_200025704644 [1,1,0,0,0,0|1,0,0]=3 2981 B11R1.1 [13CH3]OCCc1ccc(cc1)F 34a_100000754732_200025704644 [1,1,0,0,0,0|1,0,0]=3 2982 B11R1.1 [13CH3]OCCc1ccc(cc1)F 7a_100000754732_200025704644 [1,1,0,0,0,0|1,0,0]=3 2983 B11R1.1 [13CH3]OCCc1ccc(cc1)I 34a_100012291149_200025704644 [1,1,0,0,0,0|1,0,0]=3 2984 B11R1.1 [13CH3]OCCc1ccc(cc1)I 7a_100012291149_200025704644 [1,1,0,0,0,0|1,0,0]=3 2985 B11R1.1 [13CH3]OCCc1ccc(cc1)N 34a_100011204434_200025704644 [1,1,0,0,0,0|1,0,0]=3 2986 B11R1.1 [13CH3]OCCc1ccc(cn1)Br 34a_100012357577_200025704644 [1,1,0,0,0,0|2,0,0]=4 2987 B11R1.1 [13CH3]OCCc1ccc(nc1)Cl 34a_100009880866_200025704644 [1,1,0,0,0,0|2,0,0]=4 2988 B11R1.1 [13CH3]OCCc1ccc(nc1)Cl 7a_100009880866_200025704644 [1,1,0,0,0,0|2,0,0]=4 2989 B11R1.1 [13CH3]SCCc1ccc(cc1)Br 62a_100011740612_200025704644 [1,1,0,0,0,0|1,0,0]=3 2990 B11R1.1 [13CH3]SCCc1ccc(cc1)Br 62a_200025704644_100011740612 [1,1,0,0,0,0|1,0,0]=3 2991 B11R1.1 [13CH3]SCCc1ccc(cc1)Cl 62a_100011713675_200025704644 [1,1,0,0,0,0|1,0,0]=3 2992 B11R1.1 [13CH3]SCCc1ccc(cc1)Cl 62a_200025704644_100011713675 [1,1,0,0,0,0|1,0,0]=3 2993 B11R1.1 [13CH3]SCCc1ccc(cc1)F 62a_100011217392_200025704644 [1,1,0,0,0,0|1,0,0]=3 2994 B11R1.1 [13CH3]SCCc1ccc(cc1)F 62a_200025704644_100011217392 [1,1,0,0,0,0|1,0,0]=3 2995 B11R1.1 [13CH3]SCCc1ccc(cc1)O 62a_100009816426_200025704644 [1,1,0,0,0,0|1,0,0]=3 2996 B11R1.1 [13CH3]SCCc1ccc(cc1)O 62a_200025704644_100009816426 [1,1,0,0,0,0|1,0,0]=3 2997 B11R1.16 CC(CN[13CH3])c1ccccc1 2230a_100000701038_200025704644 [1,1,0,0,0,0|0,0,0]=2 2998 B11R1.16 CC(CN[13CH3])c1ccccc1 34a_100000701038_200025704644 [1,1,0,0,0,0|0,0,0]=2 2999 B11R1.16 CC(CO[13CH3])c1ccccc1 34a_100011215166_200025704644 [1,1,0,0,0,0|1,0,0]=3 3000 B11R1.16 CC(CO[13CH3])c1ccccc1 7a_100011215166_200025704644 [1,1,0,0,0,0|1,0,0]=3 3001 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_100000756946_200025704644 [1,1,0,0,0,0|1,0,0]=3 3002 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_200025704644_100000756946 [1,1,0,0,0,0|1,0,0]=3 3003 B11R1.16 CCCC(=O)c1ccccc1 1458a_100000185807_100000210303 [1,1,0,0,0,0|1,0,1]=4 3004 B11R1.16 CCCN(C)c1ccccc1 2230a_100000210012_100000210303 [1,1,0,0,0,0|2,0,0]=4 3005 B11R1.16 CCCN(C)c1ccccc1 2230a_200011218496_200000210301 [1,1,0,0,0,0|2,0,0]=4 3006 B11R1.16 CCCN(C)c1ccccc1 269982a_100000210012_100000210303 [1,1,0,0,0,0|2,0,0]=4 3007 B11R1.16 CCCN(C)c1ccccc1 269982a_200011218496_200000210301 [1,1,0,0,0,0|2,0,0]=4 3008 B11R1.16 CCCN(C)c1ccccc1 34a_100000210012_100000210303 [1,1,0,0,0,0|2,0,0]=4 3009 B11R1.16 CCCN(C)c1ccccc1 34a_200011218496_200000210301 [1,1,0,0,0,0|2,0,0]=4 3010 B11R1.16 CCCN([13CH3])c1ccccc1 2230a_200011218496_200025704644 [1,1,0,0,0,0|2,0,0]=4 3011 B11R1.16 CCCN([13CH3])c1ccccc1 269982a_200011218496_200025704644 [1,1,0,0,0,0|2,0,0]=4 3012 B11R1.16 CCCN([13CH3])c1ccccc1 34a_200011218496_200025704644 [1,1,0,0,0,0|2,0,0]=4 3013 B11R1.16 CCNC(C)c1ccccc1 2230a_100015525214_100000230085 [1,1,0,0,0,0|2,0,0]=4 3014 B11R1.16 CCNC(C)c1ccccc1 269862a_100015525214_100000185851 [1,1,0,0,0,0|2,0,0]=4 3015 B11R1.16 CCN[C@H](C)c1ccccc1 2230a_100000751104_100000210202 [1,1,0,0,0,0|2,0,0]=4 3016 B11R1.16 CCOC(C)c1ccccc1 34a_100121572206_100000211855 [1,1,0,0,0,0|2,0,0]=4 3017 B11R1.16 CCO[C@H](C)c1ccccc1 34a_100000761318_100000210202 [1,1,0,0,0,0|2,0,0]=4 3018 B11R1.16 CCO[C@H](C)c1ccccc1 7a_100000761318_100000210202 [1,1,0,0,0,0|2,0,0]=4 3019 B11R1.16 CCSC(C)c1ccccc1 62a_100000210202_100000230085 [1,1,0,0,0,0|2,0,0]=4 3020 B11R1.16 CCSC(C)c1ccccc1 62a_100000230085_100000210202 [1,1,0,0,0,0|2,0,0]=4 3021 B11R1.16 CNCC(=O)c1ccccc1 7a_106832991635_100000211460 [1,1,0,0,0,0|0,0,1]=3 3022 B11R1.16 CNCC(=O)c1ccccn1 34a_100102657272_100000027445 [1,1,0,0,0,0|1,0,1]=4 3023 B11R1.16 CNCC(=O)c1ccccn1 7a_106832991635_100000027445 [1,1,0,0,0,0|1,0,1]=4 3024 B11R1.16 CNCC(=O)c1ccncc1 7a_106832991635_100015248511 [1,1,0,0,0,0|1,0,1]=4 3025 B11R1.16 CNCC(C)c1ccccc1 2230a_100000701038_200000210301 [1,1,0,0,0,0|0,0,0]=2 3026 B11R1.16 CNCC(C)c1ccccc1 2230a_106832991635_100000756946 [1,1,0,0,0,0|0,0,0]=2 3027 B11R1.16 CNCC(C)c1ccccc1 270004a_106832991635_100000212034 [1,1,0,0,0,0|0,0,0]=2 3028 B11R1.16 CNCC(C)c1ccccc1 34a_100000701038_200000210301 [1,1,0,0,0,0|0,0,0]=2 3029 B11R1.16 CNCC(C)c1ccccc1 34a_100102657272_100000756946 [1,1,0,0,0,0|0,0,0]=2 3030 B11R1.16 CNCC(C)c1ccccc1 7a_106832991635_100000756946 [1,1,0,0,0,0|0,0,0]=2 3031 B11R1.16 CNCC(O)c1ccccc1 2230a_100000210709_200000210301 [1,1,0,0,0,0|0,0,0]=2 3032 B11R1.16 CNCC(O)c1ccccc1 2230a_106832991635_100000185958 [1,1,0,0,0,0|0,0,0]=2 3033 B11R1.16 CNCC(O)c1ccccc1 34a_100102657272_100000185958 [1,1,0,0,0,0|0,0,0]=2 3034 B11R1.16 CNCC(O)c1ccccc1 7a_106832991635_100000185958 [1,1,0,0,0,0|0,0,0]=2 3035 B11R1.16 CNCC(O)c1ccccn1 2230a_100000691469_200000210301 [1,1,0,0,0,0|1,0,0]=3 3036 B11R1.16 CNCC(O)c1cccnc1 2230a_100020605170_200000210301 [1,1,0,0,0,0|1,0,0]=3 3037 B11R1.16 CNC[C@@H](O)c1ccccc1 2230a_106832991635_100011933945 [1,1,0,0,0,0|0,0,0]=2 3038 B11R1.16 CNC[C@@H](O)c1ccccc1 34a_100102657272_100011933945 [1,1,0,0,0,0|0,0,0]=2 3039 B11R1.16 CNC[C@@H](O)c1ccccc1 7a_106832991635_100011933945 [1,1,0,0,0,0|0,0,0]=2 3040 B11R1.16 CNNC(=O)c1ccccc1 22a_100016993582_100000185807 [1,1,0,0,0,0|1,0,1]=4 3041 B11R1.16 COCC(C)c1ccccc1 34a_100011215166_200000210301 [1,1,0,0,0,0|1,0,0]=3 3042 B11R1.16 COCC(C)c1ccccc1 34a_100138415774_100000756946 [1,1,0,0,0,0|1,0,0]=3 3043 B11R1.16 COCC(C)c1ccccc1 7a_100011215166_200000210301 [1,1,0,0,0,0|1,0,0]=3 3044 B11R1.16 COCC(O)c1ccccc1 34a_100138415774_100000185958 [1,1,0,0,0,0|1,0,0]=3 3045 B11R1.16 COCN(C)c1ccccc1 2230a_100000210012_100000766300 [1,1,0,0,0,0|2,0,0]=4 3046 B11R1.16 COCN(C)c1ccccc1 269982a_100000210012_100000766300 [1,1,0,0,0,0|2,0,0]=4 3047 B11R1.16 COC[C@@H](N)c1ccccc1 34a_100000751927_200000210301 [1,1,0,0,0,0|1,0,0]=3 3048 B11R1.16 COC[C@@H](N)c1ccncc1 34a_100138412524_200000210301 [1,1,0,0,0,0|2,0,0]=4 3049 B11R1.16 COC[C@@H](O)c1ccccc1 34a_100138415774_100011933945 [1,1,0,0,0,0|1,0,0]=3 3050 B11R1.16 CSCC(=O)c1ccccc1 62a_100000211460_200000210301 [1,1,0,0,0,0|1,0,1]=4 3051 B11R1.16 CSCC(=O)c1ccccc1 62a_200000210301_100000211460 [1,1,0,0,0,0|1,0,1]=4 3052 B11R1.16 CSCC(C)c1ccccc1 62a_100000756946_200000210301 [1,1,0,0,0,0|1,0,0]=3 3053 B11R1.16 CSCC(C)c1ccccc1 62a_200000210301_100000756946 [1,1,0,0,0,0|1,0,0]=3 3054 B11R1.16 CSCC(O)c1ccccc1 62a_100000185958_200000210301 [1,1,0,0,0,0|1,0,0]=3 3055 B11R1.16 CSCC(O)c1ccccc1 62a_200000210301_100000185958 [1,1,0,0,0,0|1,0,0]=3 3056 B11R1.16 CSCN(C)c1ccccc1 2230a_100000210012_100011218213 [1,1,0,0,0,0|2,0,0]=4 3057 B11R1.16 CSCN(C)c1ccccc1 269982a_100000210012_100011218213 [1,1,0,0,0,0|2,0,0]=4 3058 B11R1.16 CSCN(C)c1ccccc1 34a_100000210012_100011218213 [1,1,0,0,0,0|2,0,0]=4 3059 B11R1.16 CSCS(=O)c1ccccc1 62a_200000210301_100000031784 [1,1,0,0,0,0|2,0,0]=4 3060 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_100011933945_200000210301 [1,1,0,0,0,0|1,0,0]=3 3061 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_200000210301_100011933945 [1,1,0,0,0,0|1,0,0]=3 3062 B11R1.16 [13CH3]NCC(O)c1ccccc1 2230a_100000210709_200025704644 [1,1,0,0,0,0|0,0,0]=2 3063 B11R1.16 [13CH3]NCC(O)c1ccccn1 2230a_100000691469_200025704644 [1,1,0,0,0,0|1,0,0]=3 3064 B11R1.16 [13CH3]NCC(O)c1cccnc1 2230a_100020605170_200025704644 [1,1,0,0,0,0|1,0,0]=3 3065 B11R1.16 [13CH3]OC[C@@H](N)c1ccccc1 34a_100000751927_200025704644 [1,1,0,0,0,0|1,0,0]=3 3066 B11R1.16 [13CH3]OC[C@@H](N)c1ccncc1 34a_100138412524_200025704644 [1,1,0,0,0,0|2,0,0]=4 3067 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_100000211460_200025704644 [1,1,0,0,0,0|1,0,1]=4 3068 B11R1.16 [13CH3]SCC(=O)c1ccccc1 62a_200025704644_100000211460 [1,1,0,0,0,0|1,0,1]=4 3069 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_100000185958_200025704644 [1,1,0,0,0,0|1,0,0]=3 3070 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_200025704644_100000185958 [1,1,0,0,0,0|1,0,0]=3 3071 B11R1.16 [13CH3]SCS(=O)c1ccccc1 62a_200025704644_100000031784 [1,1,0,0,0,0|2,0,0]=4 3072 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_100011933945_200025704644 [1,1,0,0,0,0|1,0,0]=3 3073 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_200025704644_100011933945 [1,1,0,0,0,0|1,0,0]=3 3074 B11R1.17 CCCCc1c[nH]ccc1=O 271570a_100020621405_100009998708 [1,1,0,0,0,0|2,0,0]=4 3075 B11R1.17 CCCCc1c[nH]ccc1=S 271570a_100020621405_200012280681 [1,1,0,0,0,0|2,0,0]=4 3076 B11R1.17 CCCCc1ccc[nH]c1=O 271570a_100020621405_100000050042 [1,1,0,0,0,0|2,0,0]=4 3077 B11R1.17 CCCCc1cccc[n+]1C 271570a_100020621405_100000212160 [1,1,0,0,0,0|2,0,0]=4 3078 B11R1.17 CCCCc1cccc[n+]1[O-] 271570a_100020621405_200000042595 [1,1,0,0,0,0|2,0,0]=4 3079 B11R1.17 CCCCc1ccccc1Br 271570a_100020621405_100000695589 [1,1,0,0,0,0|1,0,0]=3 3080 B11R1.17 CCCCc1ccccc1C 271570a_100020621405_100000210755 [1,1,0,0,0,0|1,0,0]=3 3081 B11R1.17 CCCCc1ccccc1Cl 271570a_100020621405_100000764095 [1,1,0,0,0,0|1,0,0]=3 3082 B11R1.17 CCCCc1ccccc1F 271570a_100020621405_100011215700 [1,1,0,0,0,0|1,0,0]=3 3083 B11R1.17 CCCCc1ccccc1N 271570a_100020621405_100000210017 [1,1,0,0,0,0|1,0,0]=3 3084 B11R1.17 CCCCc1ccccc1O 271570a_100020621405_100000739446 [1,1,0,0,0,0|1,0,0]=3 3085 B11R1.17 CCCCc1cccnc1Br 271570a_100020621405_100010202626 [1,1,0,0,0,0|2,0,0]=4 3086 B11R1.17 CCCCc1cccnc1C 271570a_100020621405_100000751574 [1,1,0,0,0,0|2,0,0]=4 3087 B11R1.17 CCCCc1cccnc1Cl 271570a_100020621405_100000036424 [1,1,0,0,0,0|2,0,0]=4 3088 B11R1.17 CCCCc1cccnc1F 271570a_100020621405_100009816115 [1,1,0,0,0,0|2,0,0]=4 3089 B11R1.17 CCCCc1cccnc1N 271570a_100020621405_100000045569 [1,1,0,0,0,0|2,0,0]=4 3090 B11R1.17 CCCCc1ccncc1Br 271570a_100020621405_100000726257 [1,1,0,0,0,0|2,0,0]=4 3091 B11R1.17 CCCCc1ccncc1C 271570a_100020621405_100015191297 [1,1,0,0,0,0|2,0,0]=4 3092 B11R1.17 CCCCc1ccncc1Cl 271570a_100020621405_100000708259 [1,1,0,0,0,0|2,0,0]=4 3093 B11R1.17 CCCCc1ccncc1F 271570a_100020621405_100000047030 [1,1,0,0,0,0|2,0,0]=4 3094 B11R1.17 CCCCc1ccncc1N 271570a_100020621405_100009815883 [1,1,0,0,0,0|2,0,0]=4 3095 B11R1.17 CCCCc1ccncc1O 271570a_100020621405_100009817591 [1,1,0,0,0,0|2,0,0]=4 3096 B11R1.17 CCCCc1cnccc1Br 271570a_100020621405_100010138639 [1,1,0,0,0,0|2,0,0]=4 3097 B11R1.17 CCCCc1cnccc1C 271570a_100020621405_100000761580 [1,1,0,0,0,0|2,0,0]=4 3098 B11R1.17 CCCCc1cnccc1Cl 271570a_100020621405_100009995489 [1,1,0,0,0,0|2,0,0]=4 3099 B11R1.17 CCCCc1cnccc1F 271570a_100020621405_100009820683 [1,1,0,0,0,0|2,0,0]=4 3100 B11R1.17 CCCCc1cnccc1N 271570a_100020621405_100000047001 [1,1,0,0,0,0|2,0,0]=4 3101 B11R1.17 CCCCc1ncccc1Br 271570a_100020621405_100000696092 [1,1,0,0,0,0|2,0,0]=4 3102 B11R1.17 CCCCc1ncccc1C 271570a_100020621405_100000751373 [1,1,0,0,0,0|2,0,0]=4 3103 B11R1.17 CCCCc1ncccc1Cl 271570a_100020621405_100011356963 [1,1,0,0,0,0|2,0,0]=4 3104 B11R1.17 CCCCc1ncccc1F 271570a_100020621405_100000685392 [1,1,0,0,0,0|2,0,0]=4 3105 B11R1.17 CCCCc1ncccc1N 271570a_100020621405_100000688686 [1,1,0,0,0,0|2,0,0]=4 3106 B11R1.17 CCCCc1ncccc1O 271570a_100020621405_100000034122 [1,1,0,0,0,0|2,0,0]=4 3107 B11R1.17 CCCNc1ccccc1Br 34a_100000210017_100000210303 [1,1,0,0,0,0|2,0,0]=4 3108 B11R1.17 CCCNc1ccccc1C 34a_100015192222_100000210303 [1,1,0,0,0,0|2,0,0]=4 3109 B11R1.17 CCCNc1ccccc1Cl 34a_100000185783_100000210303 [1,1,0,0,0,0|2,0,0]=4 3110 B11R1.17 CCCNc1ccccc1F 34a_100000210422_100000210303 [1,1,0,0,0,0|2,0,0]=4 3111 B11R1.17 CCCNc1ccccc1I 34a_100000210053_100000210303 [1,1,0,0,0,0|2,0,0]=4 3112 B11R1.17 CCCNc1ccccc1O 34a_100000185747_100000210303 [1,1,0,0,0,0|2,0,0]=4 3113 B11R1.17 CCCOc1ccccc1Br 34a_100000181306_100000210303 [1,1,0,0,0,0|2,0,0]=4 3114 B11R1.17 CCCOc1ccccc1Br 7a_100000181306_100000210303 [1,1,0,0,0,0|2,0,0]=4 3115 B11R1.17 CCCOc1ccccc1C 34a_100000210338_100000210303 [1,1,0,0,0,0|2,0,0]=4 3116 B11R1.17 CCCOc1ccccc1C 7a_100000210338_100000210303 [1,1,0,0,0,0|2,0,0]=4 3117 B11R1.17 CCCOc1ccccc1Cl 34a_100000210172_100000210303 [1,1,0,0,0,0|2,0,0]=4 3118 B11R1.17 CCCOc1ccccc1Cl 7a_100000210172_100000210303 [1,1,0,0,0,0|2,0,0]=4 3119 B11R1.17 CCCOc1ccccc1F 34a_100000210171_100000210303 [1,1,0,0,0,0|2,0,0]=4 3120 B11R1.17 CCCOc1ccccc1F 7a_100000210171_100000210303 [1,1,0,0,0,0|2,0,0]=4 3121 B11R1.17 CCCOc1ccccc1I 34a_100000739446_100000210303 [1,1,0,0,0,0|2,0,0]=4 3122 B11R1.17 CCCOc1ccccc1I 7a_100000739446_100000210303 [1,1,0,0,0,0|2,0,0]=4 3123 B11R1.17 CCCOc1ccccc1N 34a_100000185747_100000210303 [1,1,0,0,0,0|2,0,0]=4 3124 B11R1.17 CCCOc1ccccc1N 7a_100000185747_100000210303 [1,1,0,0,0,0|2,0,0]=4 3125 B11R1.17 CCCOc1ccccc1O 271570a_203496583355_100000174042 [1,1,0,0,0,0|2,0,0]=4 3126 B11R1.17 CCCSc1ccccc1Br 62a_100000210303_100000695589 [1,1,0,0,0,0|2,0,0]=4 3127 B11R1.17 CCCSc1ccccc1Br 62a_100000695589_100000210303 [1,1,0,0,0,0|2,0,0]=4 3128 B11R1.17 CCCSc1ccccc1C 62a_100000210303_100000210755 [1,1,0,0,0,0|2,0,0]=4 3129 B11R1.17 CCCSc1ccccc1C 62a_100000210755_100000210303 [1,1,0,0,0,0|2,0,0]=4 3130 B11R1.17 CCCSc1ccccc1Cl 62a_100000210303_100000764095 [1,1,0,0,0,0|2,0,0]=4 3131 B11R1.17 CCCSc1ccccc1Cl 62a_100000764095_100000210303 [1,1,0,0,0,0|2,0,0]=4 3132 B11R1.17 CCCSc1ccccc1F 62a_100000210303_100011215700 [1,1,0,0,0,0|2,0,0]=4 3133 B11R1.17 CCCSc1ccccc1F 62a_100011215700_100000210303 [1,1,0,0,0,0|2,0,0]=4 3134 B11R1.17 CCCSc1ccccc1N 62a_100000210017_100000210303 [1,1,0,0,0,0|2,0,0]=4 3135 B11R1.17 CCCSc1ccccc1N 62a_100000210303_100000210017 [1,1,0,0,0,0|2,0,0]=4 3136 B11R1.17 CCCSc1ccccc1O 62a_100000210303_100000739446 [1,1,0,0,0,0|2,0,0]=4 3137 B11R1.17 CCCSc1ccccc1O 62a_100000739446_100000210303 [1,1,0,0,0,0|2,0,0]=4 3138 B11R1.17 CCNCc1ccccc1Br 207a_100015525214_100000211189 [1,1,0,0,0,0|2,0,0]=4 3139 B11R1.17 CCNCc1ccccc1Br 2230a_100000689332_100000210202 [1,1,0,0,0,0|2,0,0]=4 3140 B11R1.17 CCNCc1ccccc1Br 2230a_100015525214_100000184730 [1,1,0,0,0,0|2,0,0]=4 3141 B11R1.17 CCNCc1ccccc1Br 270004a_100015525214_100000211189 [1,1,0,0,0,0|2,0,0]=4 3142 B11R1.17 CCNCc1ccccc1Br 34a_100000689332_100000210202 [1,1,0,0,0,0|2,0,0]=4 3143 B11R1.17 CCNCc1ccccc1C 207a_100015525214_100000211143 [1,1,0,0,0,0|2,0,0]=4 3144 B11R1.17 CCNCc1ccccc1C 2230a_100015525214_100000211839 [1,1,0,0,0,0|2,0,0]=4 3145 B11R1.17 CCNCc1ccccc1C 270004a_100015525214_100000211143 [1,1,0,0,0,0|2,0,0]=4 3146 B11R1.17 CCNCc1ccccc1C 34a_100000174972_100000210202 [1,1,0,0,0,0|2,0,0]=4 3147 B11R1.17 CCNCc1ccccc1Cl 207a_100015525214_100000210073 [1,1,0,0,0,0|2,0,0]=4 3148 B11R1.17 CCNCc1ccccc1Cl 2230a_100000174879_100000210202 [1,1,0,0,0,0|2,0,0]=4 3149 B11R1.17 CCNCc1ccccc1Cl 2230a_100015525214_100000187162 [1,1,0,0,0,0|2,0,0]=4 3150 B11R1.17 CCNCc1ccccc1Cl 270004a_100015525214_100000210073 [1,1,0,0,0,0|2,0,0]=4 3151 B11R1.17 CCNCc1ccccc1Cl 34a_100000174879_100000210202 [1,1,0,0,0,0|2,0,0]=4 3152 B11R1.17 CCNCc1ccccc1F 207a_100015525214_100000210811 [1,1,0,0,0,0|2,0,0]=4 3153 B11R1.17 CCNCc1ccccc1F 2230a_100015525214_100000211605 [1,1,0,0,0,0|2,0,0]=4 3154 B11R1.17 CCNCc1ccccc1F 270004a_100015525214_100000210811 [1,1,0,0,0,0|2,0,0]=4 3155 B11R1.17 CCNCc1ccccc1F 34a_100000174869_100000210202 [1,1,0,0,0,0|2,0,0]=4 3156 B11R1.17 CCNCc1ccccc1I 207a_100015525214_100000010305 [1,1,0,0,0,0|2,0,0]=4 3157 B11R1.17 CCNCc1ccccc1I 2230a_100015525214_100011215278 [1,1,0,0,0,0|2,0,0]=4 3158 B11R1.17 CCNCc1ccccc1I 270004a_100015525214_100000010305 [1,1,0,0,0,0|2,0,0]=4 3159 B11R1.17 CCNCc1ccccc1O 34a_100000185550_100000210202 [1,1,0,0,0,0|2,0,0]=4 3160 B11R1.17 CCOCc1ccccc1Br 34a_100000756307_100000210202 [1,1,0,0,0,0|2,0,0]=4 3161 B11R1.17 CCOCc1ccccc1Br 34a_100121572206_100000184730 [1,1,0,0,0,0|2,0,0]=4 3162 B11R1.17 CCOCc1ccccc1Br 7a_100000756307_100000210202 [1,1,0,0,0,0|2,0,0]=4 3163 B11R1.17 CCOCc1ccccc1C 34a_100000698903_100000210202 [1,1,0,0,0,0|2,0,0]=4 3164 B11R1.17 CCOCc1ccccc1C 34a_100121572206_100000211839 [1,1,0,0,0,0|2,0,0]=4 3165 B11R1.17 CCOCc1ccccc1C 7a_100000698903_100000210202 [1,1,0,0,0,0|2,0,0]=4 3166 B11R1.17 CCOCc1ccccc1Cl 34a_100000210847_100000210202 [1,1,0,0,0,0|2,0,0]=4 3167 B11R1.17 CCOCc1ccccc1Cl 34a_100121572206_100000187162 [1,1,0,0,0,0|2,0,0]=4 3168 B11R1.17 CCOCc1ccccc1Cl 7a_100000210847_100000210202 [1,1,0,0,0,0|2,0,0]=4 3169 B11R1.17 CCOCc1ccccc1F 34a_100000211962_100000210202 [1,1,0,0,0,0|2,0,0]=4 3170 B11R1.17 CCOCc1ccccc1F 34a_100121572206_100000211605 [1,1,0,0,0,0|2,0,0]=4 3171 B11R1.17 CCOCc1ccccc1F 7a_100000211962_100000210202 [1,1,0,0,0,0|2,0,0]=4 3172 B11R1.17 CCOCc1ccccc1I 34a_100000187465_100000210202 [1,1,0,0,0,0|2,0,0]=4 3173 B11R1.17 CCOCc1ccccc1I 34a_100121572206_100011215278 [1,1,0,0,0,0|2,0,0]=4 3174 B11R1.17 CCOCc1ccccc1I 7a_100000187465_100000210202 [1,1,0,0,0,0|2,0,0]=4 3175 B11R1.17 CCOCc1ccccc1N 34a_100000212039_100000210202 [1,1,0,0,0,0|2,0,0]=4 3176 B11R1.17 CCOCc1ccccc1O 271570a_203496583355_200011493690 [1,1,0,0,0,0|2,0,0]=4 3177 B11R1.17 CCSCc1ccccc1Br 62a_100000184730_100000210202 [1,1,0,0,0,0|2,0,0]=4 3178 B11R1.17 CCSCc1ccccc1Br 62a_100000210202_100000184730 [1,1,0,0,0,0|2,0,0]=4 3179 B11R1.17 CCSCc1ccccc1C 62a_100000210202_100000211839 [1,1,0,0,0,0|2,0,0]=4 3180 B11R1.17 CCSCc1ccccc1C 62a_100000211839_100000210202 [1,1,0,0,0,0|2,0,0]=4 3181 B11R1.17 CCSCc1ccccc1Cl 62a_100000187162_100000210202 [1,1,0,0,0,0|2,0,0]=4 3182 B11R1.17 CCSCc1ccccc1Cl 62a_100000210202_100000187162 [1,1,0,0,0,0|2,0,0]=4 3183 B11R1.17 CCSCc1ccccc1F 62a_100000210202_100000211605 [1,1,0,0,0,0|2,0,0]=4 3184 B11R1.17 CCSCc1ccccc1F 62a_100000211605_100000210202 [1,1,0,0,0,0|2,0,0]=4 3185 B11R1.17 CCSCc1ccccc1I 62a_100000210202_100011216222 [1,1,0,0,0,0|2,0,0]=4 3186 B11R1.17 CCSCc1ccccc1I 62a_100011216222_100000210202 [1,1,0,0,0,0|2,0,0]=4 3187 B11R1.17 CCSCc1ccccc1O 271570a_203496583355_200000173030 [1,1,0,0,0,0|2,0,0]=4 3188 B11R1.17 CNCCc1ccccc1Br 2230a_100000747383_200000210301 [1,1,0,0,0,0|0,0,0]=2 3189 B11R1.17 CNCCc1ccccc1Br 2230a_106832991635_100012161201 [1,1,0,0,0,0|0,0,0]=2 3190 B11R1.17 CNCCc1ccccc1Br 34a_100000747383_200000210301 [1,1,0,0,0,0|0,0,0]=2 3191 B11R1.17 CNCCc1ccccc1Br 34a_100102657272_100012161201 [1,1,0,0,0,0|0,0,0]=2 3192 B11R1.17 CNCCc1ccccc1Br 7a_106832991635_100012161201 [1,1,0,0,0,0|0,0,0]=2 3193 B11R1.17 CNCCc1ccccc1C 2230a_100000685071_200000210301 [1,1,0,0,0,0|0,0,0]=2 3194 B11R1.17 CNCCc1ccccc1C 2230a_106832991635_100011713688 [1,1,0,0,0,0|0,0,0]=2 3195 B11R1.17 CNCCc1ccccc1C 34a_100000685071_200000210301 [1,1,0,0,0,0|0,0,0]=2 3196 B11R1.17 CNCCc1ccccc1C 34a_100102657272_100011713688 [1,1,0,0,0,0|0,0,0]=2 3197 B11R1.17 CNCCc1ccccc1C 7a_106832991635_100011713688 [1,1,0,0,0,0|0,0,0]=2 3198 B11R1.17 CNCCc1ccccc1Cl 2230a_100011207228_200000210301 [1,1,0,0,0,0|0,0,0]=2 3199 B11R1.17 CNCCc1ccccc1Cl 2230a_106832991635_100011713703 [1,1,0,0,0,0|0,0,0]=2 3200 B11R1.17 CNCCc1ccccc1Cl 270004a_106832991635_200011713468 [1,1,0,0,0,0|0,0,0]=2 3201 B11R1.17 CNCCc1ccccc1Cl 34a_100011207228_200000210301 [1,1,0,0,0,0|0,0,0]=2 3202 B11R1.17 CNCCc1ccccc1Cl 34a_100102657272_100011713703 [1,1,0,0,0,0|0,0,0]=2 3203 B11R1.17 CNCCc1ccccc1Cl 7a_106832991635_100011713703 [1,1,0,0,0,0|0,0,0]=2 3204 B11R1.17 CNCCc1ccccc1F 2230a_100000185272_200000210301 [1,1,0,0,0,0|0,0,0]=2 3205 B11R1.17 CNCCc1ccccc1F 2230a_106832991635_100011713696 [1,1,0,0,0,0|0,0,0]=2 3206 B11R1.17 CNCCc1ccccc1F 34a_100000185272_200000210301 [1,1,0,0,0,0|0,0,0]=2 3207 B11R1.17 CNCCc1ccccc1F 34a_100102657272_100000720011 [1,1,0,0,0,0|0,0,0]=2 3208 B11R1.17 CNCCc1ccccc1F 7a_106832991635_100000720011 [1,1,0,0,0,0|0,0,0]=2 3209 B11R1.17 CNCCc1ccccc1O 34a_100011207237_200000210301 [1,1,0,0,0,0|0,0,0]=2 3210 B11R1.17 CNCCc1ccccc1O 34a_100102657272_100000722297 [1,1,0,0,0,0|0,0,0]=2 3211 B11R1.17 CNCCc1ccccc1O 7a_106832991635_100000722297 [1,1,0,0,0,0|0,0,0]=2 3212 B11R1.17 CNCCn1ccccc1=O 2230a_100000687133_200000210301 [1,1,0,0,0,0|1,0,0]=3 3213 B11R1.17 COCCc1ccccc1Br 34a_100000731337_200000210301 [1,1,0,0,0,0|1,0,0]=3 3214 B11R1.17 COCCc1ccccc1Br 34a_100138415774_100012161201 [1,1,0,0,0,0|1,0,0]=3 3215 B11R1.17 COCCc1ccccc1Br 7a_100000731337_200000210301 [1,1,0,0,0,0|1,0,0]=3 3216 B11R1.17 COCCc1ccccc1C 34a_100011220023_200000210301 [1,1,0,0,0,0|1,0,0]=3 3217 B11R1.17 COCCc1ccccc1C 34a_100138415774_100011713688 [1,1,0,0,0,0|1,0,0]=3 3218 B11R1.17 COCCc1ccccc1C 7a_100011220023_200000210301 [1,1,0,0,0,0|1,0,0]=3 3219 B11R1.17 COCCc1ccccc1Cl 34a_100011215284_200000210301 [1,1,0,0,0,0|1,0,0]=3 3220 B11R1.17 COCCc1ccccc1Cl 34a_100138415774_100011713703 [1,1,0,0,0,0|1,0,0]=3 3221 B11R1.17 COCCc1ccccc1Cl 7a_100011215284_200000210301 [1,1,0,0,0,0|1,0,0]=3 3222 B11R1.17 COCCc1ccccc1F 34a_100000753711_200000210301 [1,1,0,0,0,0|1,0,0]=3 3223 B11R1.17 COCCc1ccccc1F 34a_100138415774_100000720011 [1,1,0,0,0,0|1,0,0]=3 3224 B11R1.17 COCCc1ccccc1F 7a_100000753711_200000210301 [1,1,0,0,0,0|1,0,0]=3 3225 B11R1.17 COCCc1ccccc1I 34a_100010255290_200000210301 [1,1,0,0,0,0|1,0,0]=3 3226 B11R1.17 COCCc1ccccc1I 7a_100010255290_200000210301 [1,1,0,0,0,0|1,0,0]=3 3227 B11R1.17 COCCc1ccccc1N 34a_100011215289_200000210301 [1,1,0,0,0,0|1,0,0]=3 3228 B11R1.17 COCCc1ccccc1O 34a_100138415774_100000722297 [1,1,0,0,0,0|1,0,0]=3 3229 B11R1.17 COCCc1ncccc1C 34a_100011997706_200000210301 [1,1,0,0,0,0|2,0,0]=4 3230 B11R1.17 COCCc1ncccc1C 7a_100011997706_200000210301 [1,1,0,0,0,0|2,0,0]=4 3231 B11R1.17 COCOc1ccccc1O 271570a_203496583355_200000230759 [1,1,0,0,0,0|2,0,0]=4 3232 B11R1.17 COCSc1ccccc1Br 62a_100000695589_100000766300 [1,1,0,0,0,0|2,0,0]=4 3233 B11R1.17 COCSc1ccccc1Br 62a_100000766300_100000695589 [1,1,0,0,0,0|2,0,0]=4 3234 B11R1.17 COCSc1ccccc1C 62a_100000210755_100000766300 [1,1,0,0,0,0|2,0,0]=4 3235 B11R1.17 COCSc1ccccc1C 62a_100000766300_100000210755 [1,1,0,0,0,0|2,0,0]=4 3236 B11R1.17 COCSc1ccccc1Cl 62a_100000764095_100000766300 [1,1,0,0,0,0|2,0,0]=4 3237 B11R1.17 COCSc1ccccc1Cl 62a_100000766300_100000764095 [1,1,0,0,0,0|2,0,0]=4 3238 B11R1.17 COCSc1ccccc1F 62a_100000766300_100011215700 [1,1,0,0,0,0|2,0,0]=4 3239 B11R1.17 COCSc1ccccc1F 62a_100011215700_100000766300 [1,1,0,0,0,0|2,0,0]=4 3240 B11R1.17 COCSc1ccccc1N 62a_100000210017_100000766300 [1,1,0,0,0,0|2,0,0]=4 3241 B11R1.17 COCSc1ccccc1N 62a_100000766300_100000210017 [1,1,0,0,0,0|2,0,0]=4 3242 B11R1.17 COCSc1ccccc1O 62a_100000739446_100000766300 [1,1,0,0,0,0|2,0,0]=4 3243 B11R1.17 COCSc1ccccc1O 62a_100000766300_100000739446 [1,1,0,0,0,0|2,0,0]=4 3244 B11R1.17 CSCCc1ccccc1Br 62a_100012161201_200000210301 [1,1,0,0,0,0|1,0,0]=3 3245 B11R1.17 CSCCc1ccccc1Br 62a_200000210301_100012161201 [1,1,0,0,0,0|1,0,0]=3 3246 B11R1.17 CSCCc1ccccc1C 62a_100011713688_200000210301 [1,1,0,0,0,0|1,0,0]=3 3247 B11R1.17 CSCCc1ccccc1C 62a_200000210301_100011713688 [1,1,0,0,0,0|1,0,0]=3 3248 B11R1.17 CSCCc1ccccc1Cl 62a_100011713703_200000210301 [1,1,0,0,0,0|1,0,0]=3 3249 B11R1.17 CSCCc1ccccc1Cl 62a_200000210301_100011713703 [1,1,0,0,0,0|1,0,0]=3 3250 B11R1.17 CSCCc1ccccc1F 62a_100011713696_200000210301 [1,1,0,0,0,0|1,0,0]=3 3251 B11R1.17 CSCCc1ccccc1F 62a_200000210301_100011713696 [1,1,0,0,0,0|1,0,0]=3 3252 B11R1.17 CSCCc1ccccc1O 62a_100000722297_200000210301 [1,1,0,0,0,0|1,0,0]=3 3253 B11R1.17 CSCCc1ccccc1O 62a_200000210301_100000722297 [1,1,0,0,0,0|1,0,0]=3 3254 B11R1.17 CSCNc1ccccc1Br 34a_100000210017_100011218213 [1,1,0,0,0,0|2,0,0]=4 3255 B11R1.17 CSCNc1ccccc1C 34a_100015192222_100011218213 [1,1,0,0,0,0|2,0,0]=4 3256 B11R1.17 CSCNc1ccccc1Cl 34a_100000185783_100011218213 [1,1,0,0,0,0|2,0,0]=4 3257 B11R1.17 CSCNc1ccccc1F 34a_100000210422_100011218213 [1,1,0,0,0,0|2,0,0]=4 3258 B11R1.17 CSCNc1ccccc1I 34a_100000210053_100011218213 [1,1,0,0,0,0|2,0,0]=4 3259 B11R1.17 CSCNc1ccccc1O 34a_100000185747_100011218213 [1,1,0,0,0,0|2,0,0]=4 3260 B11R1.17 CSCOc1ccccc1Br 34a_100000181306_100011218213 [1,1,0,0,0,0|2,0,0]=4 3261 B11R1.17 CSCOc1ccccc1C 34a_100000210338_100011218213 [1,1,0,0,0,0|2,0,0]=4 3262 B11R1.17 CSCOc1ccccc1Cl 34a_100000210172_100011218213 [1,1,0,0,0,0|2,0,0]=4 3263 B11R1.17 CSCOc1ccccc1F 34a_100000210171_100011218213 [1,1,0,0,0,0|2,0,0]=4 3264 B11R1.17 CSCOc1ccccc1I 34a_100000739446_100011218213 [1,1,0,0,0,0|2,0,0]=4 3265 B11R1.17 CSCOc1ccccc1N 34a_100000185747_100011218213 [1,1,0,0,0,0|2,0,0]=4 3266 B11R1.17 CSCSc1ccccc1Br 62a_100000695589_100011218213 [1,1,0,0,0,0|2,0,0]=4 3267 B11R1.17 CSCSc1ccccc1Br 62a_100011218213_100000695589 [1,1,0,0,0,0|2,0,0]=4 3268 B11R1.17 CSCSc1ccccc1C 62a_100000210755_100011218213 [1,1,0,0,0,0|2,0,0]=4 3269 B11R1.17 CSCSc1ccccc1C 62a_100011218213_100000210755 [1,1,0,0,0,0|2,0,0]=4 3270 B11R1.17 CSCSc1ccccc1Cl 62a_100000764095_100011218213 [1,1,0,0,0,0|2,0,0]=4 3271 B11R1.17 CSCSc1ccccc1Cl 62a_100011218213_100000764095 [1,1,0,0,0,0|2,0,0]=4 3272 B11R1.17 CSCSc1ccccc1F 62a_100011215700_100011218213 [1,1,0,0,0,0|2,0,0]=4 3273 B11R1.17 CSCSc1ccccc1F 62a_100011218213_100011215700 [1,1,0,0,0,0|2,0,0]=4 3274 B11R1.17 CSCSc1ccccc1N 62a_100000210017_100011218213 [1,1,0,0,0,0|2,0,0]=4 3275 B11R1.17 CSCSc1ccccc1N 62a_100011218213_100000210017 [1,1,0,0,0,0|2,0,0]=4 3276 B11R1.17 CSCSc1ccccc1O 62a_100000739446_100011218213 [1,1,0,0,0,0|2,0,0]=4 3277 B11R1.17 CSCSc1ccccc1O 62a_100011218213_100000739446 [1,1,0,0,0,0|2,0,0]=4 3278 B11R1.17 Cc1ccccc1CCN[13CH3] 2230a_100000685071_200025704644 [1,1,0,0,0,0|0,0,0]=2 3279 B11R1.17 Cc1ccccc1CCN[13CH3] 34a_100000685071_200025704644 [1,1,0,0,0,0|0,0,0]=2 3280 B11R1.17 Cc1ccccc1CCO[13CH3] 34a_100011220023_200025704644 [1,1,0,0,0,0|1,0,0]=3 3281 B11R1.17 Cc1ccccc1CCO[13CH3] 7a_100011220023_200025704644 [1,1,0,0,0,0|1,0,0]=3 3282 B11R1.17 Cc1ccccc1CCS[13CH3] 62a_100011713688_200025704644 [1,1,0,0,0,0|1,0,0]=3 3283 B11R1.17 Cc1ccccc1CCS[13CH3] 62a_200025704644_100011713688 [1,1,0,0,0,0|1,0,0]=3 3284 B11R1.17 Cc1cccnc1CCO[13CH3] 34a_100011997706_200025704644 [1,1,0,0,0,0|2,0,0]=4 3285 B11R1.17 Cc1cccnc1CCO[13CH3] 7a_100011997706_200025704644 [1,1,0,0,0,0|2,0,0]=4 3286 B11R1.17 O=CCCc1ccccc1O 271570a_203496583355_100011713448 [1,1,0,0,0,0|2,0,0]=4 3287 B11R1.17 OCCCc1ccccc1O 271570a_203496583355_100000699526 [1,1,0,0,0,0|2,0,0]=4 3288 B11R1.17 [13CH3]NCCc1ccccc1Br 2230a_100000747383_200025704644 [1,1,0,0,0,0|0,0,0]=2 3289 B11R1.17 [13CH3]NCCc1ccccc1Br 34a_100000747383_200025704644 [1,1,0,0,0,0|0,0,0]=2 3290 B11R1.17 [13CH3]NCCc1ccccc1Cl 2230a_100011207228_200025704644 [1,1,0,0,0,0|0,0,0]=2 3291 B11R1.17 [13CH3]NCCc1ccccc1Cl 34a_100011207228_200025704644 [1,1,0,0,0,0|0,0,0]=2 3292 B11R1.17 [13CH3]NCCc1ccccc1F 2230a_100000185272_200025704644 [1,1,0,0,0,0|0,0,0]=2 3293 B11R1.17 [13CH3]NCCc1ccccc1F 34a_100000185272_200025704644 [1,1,0,0,0,0|0,0,0]=2 3294 B11R1.17 [13CH3]NCCc1ccccc1O 34a_100011207237_200025704644 [1,1,0,0,0,0|0,0,0]=2 3295 B11R1.17 [13CH3]NCCn1ccccc1=O 2230a_100000687133_200025704644 [1,1,0,0,0,0|1,0,0]=3 3296 B11R1.17 [13CH3]OCCc1ccccc1Br 34a_100000731337_200025704644 [1,1,0,0,0,0|1,0,0]=3 3297 B11R1.17 [13CH3]OCCc1ccccc1Br 7a_100000731337_200025704644 [1,1,0,0,0,0|1,0,0]=3 3298 B11R1.17 [13CH3]OCCc1ccccc1Cl 34a_100011215284_200025704644 [1,1,0,0,0,0|1,0,0]=3 3299 B11R1.17 [13CH3]OCCc1ccccc1Cl 7a_100011215284_200025704644 [1,1,0,0,0,0|1,0,0]=3 3300 B11R1.17 [13CH3]OCCc1ccccc1F 34a_100000753711_200025704644 [1,1,0,0,0,0|1,0,0]=3 3301 B11R1.17 [13CH3]OCCc1ccccc1F 7a_100000753711_200025704644 [1,1,0,0,0,0|1,0,0]=3 3302 B11R1.17 [13CH3]OCCc1ccccc1I 34a_100010255290_200025704644 [1,1,0,0,0,0|1,0,0]=3 3303 B11R1.17 [13CH3]OCCc1ccccc1I 7a_100010255290_200025704644 [1,1,0,0,0,0|1,0,0]=3 3304 B11R1.17 [13CH3]OCCc1ccccc1N 34a_100011215289_200025704644 [1,1,0,0,0,0|1,0,0]=3 3305 B11R1.17 [13CH3]SCCc1ccccc1Br 62a_100012161201_200025704644 [1,1,0,0,0,0|1,0,0]=3 3306 B11R1.17 [13CH3]SCCc1ccccc1Br 62a_200025704644_100012161201 [1,1,0,0,0,0|1,0,0]=3 3307 B11R1.17 [13CH3]SCCc1ccccc1Cl 62a_100011713703_200025704644 [1,1,0,0,0,0|1,0,0]=3 3308 B11R1.17 [13CH3]SCCc1ccccc1Cl 62a_200025704644_100011713703 [1,1,0,0,0,0|1,0,0]=3 3309 B11R1.17 [13CH3]SCCc1ccccc1F 62a_100011713696_200025704644 [1,1,0,0,0,0|1,0,0]=3 3310 B11R1.17 [13CH3]SCCc1ccccc1F 62a_200025704644_100011713696 [1,1,0,0,0,0|1,0,0]=3 3311 B11R1.17 [13CH3]SCCc1ccccc1O 62a_100000722297_200025704644 [1,1,0,0,0,0|1,0,0]=3 3312 B11R1.17 [13CH3]SCCc1ccccc1O 62a_200025704644_100000722297 [1,1,0,0,0,0|1,0,0]=3 3313 B11R1.24 CCCCc1cc(ccn1)C 271570a_100020621405_100000750283 [1,1,0,0,0,0|2,0,0]=4 3314 B11R1.24 CCCCc1cc(ccn1)Cl 271570a_100020621405_100010167805 [1,1,0,0,0,0|2,0,0]=4 3315 B11R1.24 CCCCc1cc(ccn1)F 271570a_100020621405_100009817058 [1,1,0,0,0,0|2,0,0]=4 3316 B11R1.24 CCCCc1cc(ccn1)N 271570a_100020621405_100009814236 [1,1,0,0,0,0|2,0,0]=4 3317 B11R1.24 CCCCc1cc(ccn1)O 271570a_100020621405_100000762945 [1,1,0,0,0,0|2,0,0]=4 3318 B11R1.24 CCCCc1cc[nH]c(=O)c1 271570a_100020621405_100009816521 [1,1,0,0,0,0|2,0,0]=4 3319 B11R1.24 CCCCc1ccc[n+](c1)C 271570a_100020621405_100009996589 [1,1,0,0,0,0|2,0,0]=4 3320 B11R1.24 CCCCc1ccc[n+](c1)[O-] 271570a_100020621405_100009815978 [1,1,0,0,0,0|2,0,0]=4 3321 B11R1.24 CCCCc1cccc(=O)[nH]1 271570a_100020621405_100000761760 [1,1,0,0,0,0|2,0,0]=4 3322 B11R1.24 CCCCc1cccc(c1)Br 271570a_100020621405_100000691529 [1,1,0,0,0,0|1,0,0]=3 3323 B11R1.24 CCCCc1cccc(c1)C 271570a_100020621405_100011215228 [1,1,0,0,0,0|1,0,0]=3 3324 B11R1.24 CCCCc1cccc(c1)Cl 271570a_100020621405_100000699651 [1,1,0,0,0,0|1,0,0]=3 3325 B11R1.24 CCCCc1cccc(c1)F 271570a_100020621405_100000685547 [1,1,0,0,0,0|1,0,0]=3 3326 B11R1.24 CCCCc1cccc(c1)N 271570a_100020621405_100000210019 [1,1,0,0,0,0|1,0,0]=3 3327 B11R1.24 CCCCc1cccc(c1)O 271570a_100020621405_100000211634 [1,1,0,0,0,0|1,0,0]=3 3328 B11R1.24 CCCCc1cccc(c1)O 271570a_203496583355_200010244551 [1,1,0,0,0,0|1,0,0]=3 3329 B11R1.24 CCCCc1cccc(c1)[S] 271570a_100020621405_114929384022 [1,1,0,0,0,0|1,0,0]=3 3330 B11R1.24 CCCCc1cccc(n1)Br 271570a_100020621405_100000684672 [1,1,0,0,0,0|2,0,0]=4 3331 B11R1.24 CCCCc1cccc(n1)C 271570a_100020621405_100000742759 [1,1,0,0,0,0|2,0,0]=4 3332 B11R1.24 CCCCc1cccc(n1)F 271570a_100020621405_100009815982 [1,1,0,0,0,0|2,0,0]=4 3333 B11R1.24 CCCCc1cccc(n1)N 271570a_100020621405_100000740741 [1,1,0,0,0,0|2,0,0]=4 3334 B11R1.24 CCCCc1ccnc(c1)Br 271570a_100020621405_100009814637 [1,1,0,0,0,0|2,0,0]=4 3335 B11R1.24 CCCCc1ccnc(c1)C 271570a_100020621405_100000758586 [1,1,0,0,0,0|2,0,0]=4 3336 B11R1.24 CCCCc1ccnc(c1)Cl 271570a_100020621405_100000035001 [1,1,0,0,0,0|2,0,0]=4 3337 B11R1.24 CCCCc1ccnc(c1)F 271570a_100020621405_100009816116 [1,1,0,0,0,0|2,0,0]=4 3338 B11R1.24 CCCCc1ccnc(c1)N 271570a_100020621405_100000744379 [1,1,0,0,0,0|2,0,0]=4 3339 B11R1.24 CCCCc1cncc(c1)Br 271570a_100020621405_100000728054 [1,1,0,0,0,0|2,0,0]=4 3340 B11R1.24 CCCCc1cncc(c1)C 271570a_100020621405_100000760492 [1,1,0,0,0,0|2,0,0]=4 3341 B11R1.24 CCCCc1cncc(c1)Cl 271570a_100020621405_100000049639 [1,1,0,0,0,0|2,0,0]=4 3342 B11R1.24 CCCCc1cncc(c1)F 271570a_100020621405_100000744099 [1,1,0,0,0,0|2,0,0]=4 3343 B11R1.24 CCCCc1cncc(c1)N 271570a_100020621405_100000687067 [1,1,0,0,0,0|2,0,0]=4 3344 B11R1.24 CCCCc1cncc(c1)O 271570a_100020621405_100000754920 [1,1,0,0,0,0|2,0,0]=4 3345 B11R1.24 CCCNc1cccc(c1)Br 34a_100000210019_100000210303 [1,1,0,0,0,0|2,0,0]=4 3346 B11R1.24 CCCNc1cccc(c1)C 2230a_100000188690_100000210303 [1,1,0,0,0,0|2,0,0]=4 3347 B11R1.24 CCCNc1cccc(c1)C 34a_100000188690_100000210303 [1,1,0,0,0,0|2,0,0]=4 3348 B11R1.24 CCCNc1cccc(c1)Cl 34a_100000185859_100000210303 [1,1,0,0,0,0|2,0,0]=4 3349 B11R1.24 CCCNc1cccc(c1)F 34a_100000210047_100000210303 [1,1,0,0,0,0|2,0,0]=4 3350 B11R1.24 CCCNc1cccc(c1)I 34a_100000211102_100000210303 [1,1,0,0,0,0|2,0,0]=4 3351 B11R1.24 CCCNc1cccc(c1)O 34a_100000210217_100000210303 [1,1,0,0,0,0|2,0,0]=4 3352 B11R1.24 CCCOc1cccc(c1)Br 34a_100000210342_100000210303 [1,1,0,0,0,0|2,0,0]=4 3353 B11R1.24 CCCOc1cccc(c1)Br 7a_100000210342_100000210303 [1,1,0,0,0,0|2,0,0]=4 3354 B11R1.24 CCCOc1cccc(c1)C 34a_100000210337_100000210303 [1,1,0,0,0,0|2,0,0]=4 3355 B11R1.24 CCCOc1cccc(c1)C 7a_100000210337_100000210303 [1,1,0,0,0,0|2,0,0]=4 3356 B11R1.24 CCCOc1cccc(c1)Cl 34a_100000210295_100000210303 [1,1,0,0,0,0|2,0,0]=4 3357 B11R1.24 CCCOc1cccc(c1)Cl 7a_100000210295_100000210303 [1,1,0,0,0,0|2,0,0]=4 3358 B11R1.24 CCCOc1cccc(c1)F 34a_100000210426_100000210303 [1,1,0,0,0,0|2,0,0]=4 3359 B11R1.24 CCCOc1cccc(c1)F 7a_100000210426_100000210303 [1,1,0,0,0,0|2,0,0]=4 3360 B11R1.24 CCCOc1cccc(c1)I 34a_100000211634_100000210303 [1,1,0,0,0,0|2,0,0]=4 3361 B11R1.24 CCCOc1cccc(c1)I 7a_100000211634_100000210303 [1,1,0,0,0,0|2,0,0]=4 3362 B11R1.24 CCCOc1cccc(c1)N 34a_100000210217_100000210303 [1,1,0,0,0,0|2,0,0]=4 3363 B11R1.24 CCCOc1cccc(c1)O 271570a_203496583355_100000170004 [1,1,0,0,0,0|2,0,0]=4 3364 B11R1.24 CCCSc1cccc(c1)Br 62a_100000210303_100000691529 [1,1,0,0,0,0|2,0,0]=4 3365 B11R1.24 CCCSc1cccc(c1)Br 62a_100000691529_100000210303 [1,1,0,0,0,0|2,0,0]=4 3366 B11R1.24 CCCSc1cccc(c1)C 62a_100000210303_100011215228 [1,1,0,0,0,0|2,0,0]=4 3367 B11R1.24 CCCSc1cccc(c1)C 62a_100011215228_100000210303 [1,1,0,0,0,0|2,0,0]=4 3368 B11R1.24 CCCSc1cccc(c1)Cl 62a_100000210303_100000699651 [1,1,0,0,0,0|2,0,0]=4 3369 B11R1.24 CCCSc1cccc(c1)Cl 62a_100000699651_100000210303 [1,1,0,0,0,0|2,0,0]=4 3370 B11R1.24 CCCSc1cccc(c1)F 62a_100000210303_100000685547 [1,1,0,0,0,0|2,0,0]=4 3371 B11R1.24 CCCSc1cccc(c1)F 62a_100000685547_100000210303 [1,1,0,0,0,0|2,0,0]=4 3372 B11R1.24 CCCSc1cccc(c1)N 62a_100000210019_100000210303 [1,1,0,0,0,0|2,0,0]=4 3373 B11R1.24 CCCSc1cccc(c1)N 62a_100000210303_100000210019 [1,1,0,0,0,0|2,0,0]=4 3374 B11R1.24 CCCSc1cccc(c1)O 271570a_203496583355_200009815762 [1,1,0,0,0,0|2,0,0]=4 3375 B11R1.24 CCCSc1cccc(c1)O 62a_100000210303_100000211634 [1,1,0,0,0,0|2,0,0]=4 3376 B11R1.24 CCCSc1cccc(c1)[S] 62a_100000210303_114929384022 [1,1,0,0,0,0|2,0,0]=4 3377 B11R1.24 CCCSc1cccc(c1)[S] 62a_114929384022_100000210303 [1,1,0,0,0,0|2,0,0]=4 3378 B11R1.24 CCNCc1cccc(c1)Br 207a_100015525214_100000210085 [1,1,0,0,0,0|2,0,0]=4 3379 B11R1.24 CCNCc1cccc(c1)Br 2230a_100000174977_100000210202 [1,1,0,0,0,0|2,0,0]=4 3380 B11R1.24 CCNCc1cccc(c1)Br 2230a_100015525214_100000698116 [1,1,0,0,0,0|2,0,0]=4 3381 B11R1.24 CCNCc1cccc(c1)Br 270004a_100015525214_100000210085 [1,1,0,0,0,0|2,0,0]=4 3382 B11R1.24 CCNCc1cccc(c1)Br 34a_100000174977_100000210202 [1,1,0,0,0,0|2,0,0]=4 3383 B11R1.24 CCNCc1cccc(c1)C 207a_100015525214_100000211157 [1,1,0,0,0,0|2,0,0]=4 3384 B11R1.24 CCNCc1cccc(c1)C 2230a_100000185548_100000210202 [1,1,0,0,0,0|2,0,0]=4 3385 B11R1.24 CCNCc1cccc(c1)C 2230a_100015525214_100000211840 [1,1,0,0,0,0|2,0,0]=4 3386 B11R1.24 CCNCc1cccc(c1)C 270004a_100015525214_100000211157 [1,1,0,0,0,0|2,0,0]=4 3387 B11R1.24 CCNCc1cccc(c1)C 34a_100000185548_100000210202 [1,1,0,0,0,0|2,0,0]=4 3388 B11R1.24 CCNCc1cccc(c1)Cl 207a_100015525214_100000210801 [1,1,0,0,0,0|2,0,0]=4 3389 B11R1.24 CCNCc1cccc(c1)Cl 2230a_100000174878_100000210202 [1,1,0,0,0,0|2,0,0]=4 3390 B11R1.24 CCNCc1cccc(c1)Cl 2230a_100015525214_100000181238 [1,1,0,0,0,0|2,0,0]=4 3391 B11R1.24 CCNCc1cccc(c1)Cl 270004a_100015525214_100000210801 [1,1,0,0,0,0|2,0,0]=4 3392 B11R1.24 CCNCc1cccc(c1)Cl 34a_100000174878_100000210202 [1,1,0,0,0,0|2,0,0]=4 3393 B11R1.24 CCNCc1cccc(c1)F 207a_100015525214_100000210812 [1,1,0,0,0,0|2,0,0]=4 3394 B11R1.24 CCNCc1cccc(c1)F 2230a_100000174948_100000210202 [1,1,0,0,0,0|2,0,0]=4 3395 B11R1.24 CCNCc1cccc(c1)F 2230a_100015525214_100000230114 [1,1,0,0,0,0|2,0,0]=4 3396 B11R1.24 CCNCc1cccc(c1)F 270004a_100015525214_100000210812 [1,1,0,0,0,0|2,0,0]=4 3397 B11R1.24 CCNCc1cccc(c1)F 34a_100000174948_100000210202 [1,1,0,0,0,0|2,0,0]=4 3398 B11R1.24 CCNCc1cccc(c1)I 207a_100015525214_100000014684 [1,1,0,0,0,0|2,0,0]=4 3399 B11R1.24 CCNCc1cccc(c1)I 2230a_100000106179_100000210202 [1,1,0,0,0,0|2,0,0]=4 3400 B11R1.24 CCNCc1cccc(c1)I 2230a_100015525214_100011218688 [1,1,0,0,0,0|2,0,0]=4 3401 B11R1.24 CCNCc1cccc(c1)I 270004a_100015525214_100000014684 [1,1,0,0,0,0|2,0,0]=4 3402 B11R1.24 CCNCc1cccc(c1)I 34a_100000106179_100000210202 [1,1,0,0,0,0|2,0,0]=4 3403 B11R1.24 CCNCc1cccc(c1)O 207a_100015525214_100000188321 [1,1,0,0,0,0|2,0,0]=4 3404 B11R1.24 CCNCc1cccc(c1)O 2230a_100000743036_100000210202 [1,1,0,0,0,0|2,0,0]=4 3405 B11R1.24 CCNCc1cccc(c1)O 2230a_100015525214_100011660834 [1,1,0,0,0,0|2,0,0]=4 3406 B11R1.24 CCNCc1cccc(c1)O 270004a_100015525214_100000188321 [1,1,0,0,0,0|2,0,0]=4 3407 B11R1.24 CCNCc1cccc(c1)O 271570a_203496583355_100000187426 [1,1,0,0,0,0|2,0,0]=4 3408 B11R1.24 CCNCc1cccc(c1)O 34a_100000743036_100000210202 [1,1,0,0,0,0|2,0,0]=4 3409 B11R1.24 CCOCc1cccc(c1)Br 34a_100000687537_100000210202 [1,1,0,0,0,0|2,0,0]=4 3410 B11R1.24 CCOCc1cccc(c1)Br 34a_100121572206_100000698116 [1,1,0,0,0,0|2,0,0]=4 3411 B11R1.24 CCOCc1cccc(c1)Br 7a_100000687537_100000210202 [1,1,0,0,0,0|2,0,0]=4 3412 B11R1.24 CCOCc1cccc(c1)C 34a_100011217746_100000210202 [1,1,0,0,0,0|2,0,0]=4 3413 B11R1.24 CCOCc1cccc(c1)C 34a_100121572206_100000211840 [1,1,0,0,0,0|2,0,0]=4 3414 B11R1.24 CCOCc1cccc(c1)C 7a_100011217746_100000210202 [1,1,0,0,0,0|2,0,0]=4 3415 B11R1.24 CCOCc1cccc(c1)Cl 34a_100000241301_100000210202 [1,1,0,0,0,0|2,0,0]=4 3416 B11R1.24 CCOCc1cccc(c1)Cl 34a_100121572206_100000187163 [1,1,0,0,0,0|2,0,0]=4 3417 B11R1.24 CCOCc1cccc(c1)Cl 7a_100000241301_100000210202 [1,1,0,0,0,0|2,0,0]=4 3418 B11R1.24 CCOCc1cccc(c1)F 34a_100000210976_100000210202 [1,1,0,0,0,0|2,0,0]=4 3419 B11R1.24 CCOCc1cccc(c1)F 34a_100121572206_100000187166 [1,1,0,0,0,0|2,0,0]=4 3420 B11R1.24 CCOCc1cccc(c1)F 7a_100000210976_100000210202 [1,1,0,0,0,0|2,0,0]=4 3421 B11R1.24 CCOCc1cccc(c1)I 34a_100011215336_100000210202 [1,1,0,0,0,0|2,0,0]=4 3422 B11R1.24 CCOCc1cccc(c1)I 34a_100121572206_100011218688 [1,1,0,0,0,0|2,0,0]=4 3423 B11R1.24 CCOCc1cccc(c1)I 7a_100011215336_100000210202 [1,1,0,0,0,0|2,0,0]=4 3424 B11R1.24 CCOCc1cccc(c1)N 34a_100000211919_100000210202 [1,1,0,0,0,0|2,0,0]=4 3425 B11R1.24 CCOCc1cccc(c1)O 271570a_203496583355_100011493694 [1,1,0,0,0,0|2,0,0]=4 3426 B11R1.24 CCOCc1cccc(c1)O 34a_100121572206_100011660834 [1,1,0,0,0,0|2,0,0]=4 3427 B11R1.24 CCSCc1cccc(c1)Br 62a_100000210202_100000211773 [1,1,0,0,0,0|2,0,0]=4 3428 B11R1.24 CCSCc1cccc(c1)Br 62a_100000211773_100000210202 [1,1,0,0,0,0|2,0,0]=4 3429 B11R1.24 CCSCc1cccc(c1)C 62a_100000210202_100000211840 [1,1,0,0,0,0|2,0,0]=4 3430 B11R1.24 CCSCc1cccc(c1)C 62a_100000211840_100000210202 [1,1,0,0,0,0|2,0,0]=4 3431 B11R1.24 CCSCc1cccc(c1)Cl 62a_100000187163_100000210202 [1,1,0,0,0,0|2,0,0]=4 3432 B11R1.24 CCSCc1cccc(c1)Cl 62a_100000210202_100000187163 [1,1,0,0,0,0|2,0,0]=4 3433 B11R1.24 CCSCc1cccc(c1)F 62a_100000210202_100000230114 [1,1,0,0,0,0|2,0,0]=4 3434 B11R1.24 CCSCc1cccc(c1)F 62a_100000230114_100000210202 [1,1,0,0,0,0|2,0,0]=4 3435 B11R1.24 CCSCc1cccc(c1)I 62a_100000210202_100011218688 [1,1,0,0,0,0|2,0,0]=4 3436 B11R1.24 CCSCc1cccc(c1)I 62a_100011218688_100000210202 [1,1,0,0,0,0|2,0,0]=4 3437 B11R1.24 CCSCc1cccc(c1)O 62a_100000210202_100011660834 [1,1,0,0,0,0|2,0,0]=4 3438 B11R1.24 CCSCc1cccc(c1)O 62a_100011660834_100000210202 [1,1,0,0,0,0|2,0,0]=4 3439 B11R1.24 CNCCc1cccc(c1)Br 2230a_100011207229_200000210301 [1,1,0,0,0,0|0,0,0]=2 3440 B11R1.24 CNCCc1cccc(c1)Br 2230a_106832991635_100011740638 [1,1,0,0,0,0|0,0,0]=2 3441 B11R1.24 CNCCc1cccc(c1)Br 34a_100011207229_200000210301 [1,1,0,0,0,0|0,0,0]=2 3442 B11R1.24 CNCCc1cccc(c1)Br 34a_100102657272_100011740638 [1,1,0,0,0,0|0,0,0]=2 3443 B11R1.24 CNCCc1cccc(c1)Br 7a_106832991635_100011740638 [1,1,0,0,0,0|0,0,0]=2 3444 B11R1.24 CNCCc1cccc(c1)C 2230a_100000749837_200000210301 [1,1,0,0,0,0|0,0,0]=2 3445 B11R1.24 CNCCc1cccc(c1)C 2230a_106832991635_100011713685 [1,1,0,0,0,0|0,0,0]=2 3446 B11R1.24 CNCCc1cccc(c1)C 34a_100000749837_200000210301 [1,1,0,0,0,0|0,0,0]=2 3447 B11R1.24 CNCCc1cccc(c1)C 34a_100102657272_100011713685 [1,1,0,0,0,0|0,0,0]=2 3448 B11R1.24 CNCCc1cccc(c1)C 7a_106832991635_100011713685 [1,1,0,0,0,0|0,0,0]=2 3449 B11R1.24 CNCCc1cccc(c1)Cl 2230a_100000185263_200000210301 [1,1,0,0,0,0|0,0,0]=2 3450 B11R1.24 CNCCc1cccc(c1)Cl 2230a_106832991635_100011713710 [1,1,0,0,0,0|0,0,0]=2 3451 B11R1.24 CNCCc1cccc(c1)Cl 34a_100000185263_200000210301 [1,1,0,0,0,0|0,0,0]=2 3452 B11R1.24 CNCCc1cccc(c1)Cl 34a_100102657272_100011713710 [1,1,0,0,0,0|0,0,0]=2 3453 B11R1.24 CNCCc1cccc(c1)Cl 7a_106832991635_100011713710 [1,1,0,0,0,0|0,0,0]=2 3454 B11R1.24 CNCCc1cccc(c1)F 2230a_100000205154_200000210301 [1,1,0,0,0,0|0,0,0]=2 3455 B11R1.24 CNCCc1cccc(c1)F 2230a_106832991635_100011217235 [1,1,0,0,0,0|0,0,0]=2 3456 B11R1.24 CNCCc1cccc(c1)F 34a_100000205154_200000210301 [1,1,0,0,0,0|0,0,0]=2 3457 B11R1.24 CNCCc1cccc(c1)F 34a_100102657272_100011217235 [1,1,0,0,0,0|0,0,0]=2 3458 B11R1.24 CNCCc1cccc(c1)F 7a_106832991635_100011217235 [1,1,0,0,0,0|0,0,0]=2 3459 B11R1.24 CNCCc1cccc(c1)O 2230a_100000747277_200000210301 [1,1,0,0,0,0|0,0,0]=2 3460 B11R1.24 CNCCc1cccc(c1)O 34a_100000747277_200000210301 [1,1,0,0,0,0|0,0,0]=2 3461 B11R1.24 CNCCc1cccc(n1)C 2230a_100011824523_200000210301 [1,1,0,0,0,0|1,0,0]=3 3462 B11R1.24 CNCCc1cccc(n1)C 34a_100011824523_200000210301 [1,1,0,0,0,0|1,0,0]=3 3463 B11R1.24 COCCc1cccc(c1)Br 34a_100011217444_200000210301 [1,1,0,0,0,0|1,0,0]=3 3464 B11R1.24 COCCc1cccc(c1)Br 34a_100138415774_100011740638 [1,1,0,0,0,0|1,0,0]=3 3465 B11R1.24 COCCc1cccc(c1)Br 7a_100011217444_200000210301 [1,1,0,0,0,0|1,0,0]=3 3466 B11R1.24 COCCc1cccc(c1)C 34a_100011217157_200000210301 [1,1,0,0,0,0|1,0,0]=3 3467 B11R1.24 COCCc1cccc(c1)C 34a_100138415774_100011713685 [1,1,0,0,0,0|1,0,0]=3 3468 B11R1.24 COCCc1cccc(c1)C 7a_100011217157_200000210301 [1,1,0,0,0,0|1,0,0]=3 3469 B11R1.24 COCCc1cccc(c1)Cl 34a_100000754733_200000210301 [1,1,0,0,0,0|1,0,0]=3 3470 B11R1.24 COCCc1cccc(c1)Cl 34a_100138415774_100011713710 [1,1,0,0,0,0|1,0,0]=3 3471 B11R1.24 COCCc1cccc(c1)Cl 7a_100000754733_200000210301 [1,1,0,0,0,0|1,0,0]=3 3472 B11R1.24 COCCc1cccc(c1)F 34a_100000763591_200000210301 [1,1,0,0,0,0|1,0,0]=3 3473 B11R1.24 COCCc1cccc(c1)F 34a_100138415774_100011217235 [1,1,0,0,0,0|1,0,0]=3 3474 B11R1.24 COCCc1cccc(c1)F 7a_100000763591_200000210301 [1,1,0,0,0,0|1,0,0]=3 3475 B11R1.24 COCCc1cccc(c1)N 34a_100011996697_200000210301 [1,1,0,0,0,0|1,0,0]=3 3476 B11R1.24 COCCc1cccc(n1)Br 34a_100010221043_200000210301 [1,1,0,0,0,0|2,0,0]=4 3477 B11R1.24 COCCc1cccc(n1)Br 7a_100010221043_200000210301 [1,1,0,0,0,0|2,0,0]=4 3478 B11R1.24 COCNc1cccc(c1)C 2230a_100000188690_100000766300 [1,1,0,0,0,0|2,0,0]=4 3479 B11R1.24 COCOc1cccc(c1)O 271570a_203496583355_100012265688 [1,1,0,0,0,0|2,0,0]=4 3480 B11R1.24 COCSc1cccc(c1)Br 62a_100000691529_100000766300 [1,1,0,0,0,0|2,0,0]=4 3481 B11R1.24 COCSc1cccc(c1)Br 62a_100000766300_100000691529 [1,1,0,0,0,0|2,0,0]=4 3482 B11R1.24 COCSc1cccc(c1)C 62a_100000766300_100011215228 [1,1,0,0,0,0|2,0,0]=4 3483 B11R1.24 COCSc1cccc(c1)C 62a_100011215228_100000766300 [1,1,0,0,0,0|2,0,0]=4 3484 B11R1.24 COCSc1cccc(c1)Cl 62a_100000699651_100000766300 [1,1,0,0,0,0|2,0,0]=4 3485 B11R1.24 COCSc1cccc(c1)Cl 62a_100000766300_100000699651 [1,1,0,0,0,0|2,0,0]=4 3486 B11R1.24 COCSc1cccc(c1)F 62a_100000685547_100000766300 [1,1,0,0,0,0|2,0,0]=4 3487 B11R1.24 COCSc1cccc(c1)F 62a_100000766300_100000685547 [1,1,0,0,0,0|2,0,0]=4 3488 B11R1.24 COCSc1cccc(c1)N 62a_100000210019_100000766300 [1,1,0,0,0,0|2,0,0]=4 3489 B11R1.24 COCSc1cccc(c1)N 62a_100000766300_100000210019 [1,1,0,0,0,0|2,0,0]=4 3490 B11R1.24 COCSc1cccc(c1)O 62a_100000766300_100000211634 [1,1,0,0,0,0|2,0,0]=4 3491 B11R1.24 COCSc1cccc(c1)[S] 62a_100000766300_114929384022 [1,1,0,0,0,0|2,0,0]=4 3492 B11R1.24 COCSc1cccc(c1)[S] 62a_114929384022_100000766300 [1,1,0,0,0,0|2,0,0]=4 3493 B11R1.24 CSCCc1cccc(c1)Br 62a_100011740638_200000210301 [1,1,0,0,0,0|1,0,0]=3 3494 B11R1.24 CSCCc1cccc(c1)Br 62a_200000210301_100011740638 [1,1,0,0,0,0|1,0,0]=3 3495 B11R1.24 CSCCc1cccc(c1)C 62a_100011713685_200000210301 [1,1,0,0,0,0|1,0,0]=3 3496 B11R1.24 CSCCc1cccc(c1)C 62a_200000210301_100011713685 [1,1,0,0,0,0|1,0,0]=3 3497 B11R1.24 CSCCc1cccc(c1)Cl 62a_100011713710_200000210301 [1,1,0,0,0,0|1,0,0]=3 3498 B11R1.24 CSCCc1cccc(c1)Cl 62a_200000210301_100011713710 [1,1,0,0,0,0|1,0,0]=3 3499 B11R1.24 CSCCc1cccc(c1)F 62a_100011217235_200000210301 [1,1,0,0,0,0|1,0,0]=3 3500 B11R1.24 CSCCc1cccc(c1)F 62a_200000210301_100011217235 [1,1,0,0,0,0|1,0,0]=3 3501 B11R1.24 CSCNc1cccc(c1)Br 34a_100000210019_100011218213 [1,1,0,0,0,0|2,0,0]=4 3502 B11R1.24 CSCNc1cccc(c1)C 2230a_100000188690_100011218213 [1,1,0,0,0,0|2,0,0]=4 3503 B11R1.24 CSCNc1cccc(c1)C 34a_100000188690_100011218213 [1,1,0,0,0,0|2,0,0]=4 3504 B11R1.24 CSCNc1cccc(c1)Cl 34a_100000185859_100011218213 [1,1,0,0,0,0|2,0,0]=4 3505 B11R1.24 CSCNc1cccc(c1)F 34a_100000210047_100011218213 [1,1,0,0,0,0|2,0,0]=4 3506 B11R1.24 CSCNc1cccc(c1)I 34a_100000211102_100011218213 [1,1,0,0,0,0|2,0,0]=4 3507 B11R1.24 CSCNc1cccc(c1)O 34a_100000210217_100011218213 [1,1,0,0,0,0|2,0,0]=4 3508 B11R1.24 CSCOc1cccc(c1)Br 34a_100000210342_100011218213 [1,1,0,0,0,0|2,0,0]=4 3509 B11R1.24 CSCOc1cccc(c1)C 34a_100000210337_100011218213 [1,1,0,0,0,0|2,0,0]=4 3510 B11R1.24 CSCOc1cccc(c1)Cl 34a_100000210295_100011218213 [1,1,0,0,0,0|2,0,0]=4 3511 B11R1.24 CSCOc1cccc(c1)F 34a_100000210426_100011218213 [1,1,0,0,0,0|2,0,0]=4 3512 B11R1.24 CSCOc1cccc(c1)I 34a_100000211634_100011218213 [1,1,0,0,0,0|2,0,0]=4 3513 B11R1.24 CSCOc1cccc(c1)N 34a_100000210217_100011218213 [1,1,0,0,0,0|2,0,0]=4 3514 B11R1.24 CSCSc1cccc(c1)Br 62a_100000691529_100011218213 [1,1,0,0,0,0|2,0,0]=4 3515 B11R1.24 CSCSc1cccc(c1)Br 62a_100011218213_100000691529 [1,1,0,0,0,0|2,0,0]=4 3516 B11R1.24 CSCSc1cccc(c1)C 62a_100011215228_100011218213 [1,1,0,0,0,0|2,0,0]=4 3517 B11R1.24 CSCSc1cccc(c1)C 62a_100011218213_100011215228 [1,1,0,0,0,0|2,0,0]=4 3518 B11R1.24 CSCSc1cccc(c1)Cl 62a_100000699651_100011218213 [1,1,0,0,0,0|2,0,0]=4 3519 B11R1.24 CSCSc1cccc(c1)Cl 62a_100011218213_100000699651 [1,1,0,0,0,0|2,0,0]=4 3520 B11R1.24 CSCSc1cccc(c1)F 62a_100000685547_100011218213 [1,1,0,0,0,0|2,0,0]=4 3521 B11R1.24 CSCSc1cccc(c1)F 62a_100011218213_100000685547 [1,1,0,0,0,0|2,0,0]=4 3522 B11R1.24 CSCSc1cccc(c1)N 62a_100000210019_100011218213 [1,1,0,0,0,0|2,0,0]=4 3523 B11R1.24 CSCSc1cccc(c1)N 62a_100011218213_100000210019 [1,1,0,0,0,0|2,0,0]=4 3524 B11R1.24 CSCSc1cccc(c1)O 62a_100011218213_100000211634 [1,1,0,0,0,0|2,0,0]=4 3525 B11R1.24 CSCSc1cccc(c1)[S] 62a_100011218213_114929384022 [1,1,0,0,0,0|2,0,0]=4 3526 B11R1.24 CSCSc1cccc(c1)[S] 62a_114929384022_100011218213 [1,1,0,0,0,0|2,0,0]=4 3527 B11R1.24 Cc1cccc(c1)CCN[13CH3] 2230a_100000749837_200025704644 [1,1,0,0,0,0|0,0,0]=2 3528 B11R1.24 Cc1cccc(c1)CCN[13CH3] 34a_100000749837_200025704644 [1,1,0,0,0,0|0,0,0]=2 3529 B11R1.24 Cc1cccc(c1)CCO[13CH3] 34a_100011217157_200025704644 [1,1,0,0,0,0|1,0,0]=3 3530 B11R1.24 Cc1cccc(c1)CCO[13CH3] 7a_100011217157_200025704644 [1,1,0,0,0,0|1,0,0]=3 3531 B11R1.24 Cc1cccc(c1)CCS[13CH3] 62a_100011713685_200025704644 [1,1,0,0,0,0|1,0,0]=3 3532 B11R1.24 Cc1cccc(c1)CCS[13CH3] 62a_200025704644_100011713685 [1,1,0,0,0,0|1,0,0]=3 3533 B11R1.24 Cc1cccc(n1)CCN[13CH3] 2230a_100011824523_200025704644 [1,1,0,0,0,0|1,0,0]=3 3534 B11R1.24 Cc1cccc(n1)CCN[13CH3] 34a_100011824523_200025704644 [1,1,0,0,0,0|1,0,0]=3 3535 B11R1.24 N#CCCc1cccc(c1)O 271570a_203496583355_100011219771 [1,1,0,0,0,0|2,0,0]=4 3536 B11R1.24 NCCCc1cccc(c1)O 271570a_203496583355_100000753791 [1,1,0,0,0,0|2,0,0]=4 3537 B11R1.24 OCCCc1cccc(c1)O 271570a_203496583355_100011709248 [1,1,0,0,0,0|2,0,0]=4 3538 B11R1.24 [13CH3]NCCc1cccc(c1)Br 2230a_100011207229_200025704644 [1,1,0,0,0,0|0,0,0]=2 3539 B11R1.24 [13CH3]NCCc1cccc(c1)Br 34a_100011207229_200025704644 [1,1,0,0,0,0|0,0,0]=2 3540 B11R1.24 [13CH3]NCCc1cccc(c1)Cl 2230a_100000185263_200025704644 [1,1,0,0,0,0|0,0,0]=2 3541 B11R1.24 [13CH3]NCCc1cccc(c1)Cl 34a_100000185263_200025704644 [1,1,0,0,0,0|0,0,0]=2 3542 B11R1.24 [13CH3]NCCc1cccc(c1)F 2230a_100000205154_200025704644 [1,1,0,0,0,0|0,0,0]=2 3543 B11R1.24 [13CH3]NCCc1cccc(c1)F 34a_100000205154_200025704644 [1,1,0,0,0,0|0,0,0]=2 3544 B11R1.24 [13CH3]NCCc1cccc(c1)O 2230a_100000747277_200025704644 [1,1,0,0,0,0|0,0,0]=2 3545 B11R1.24 [13CH3]NCCc1cccc(c1)O 34a_100000747277_200025704644 [1,1,0,0,0,0|0,0,0]=2 3546 B11R1.24 [13CH3]OCCc1cccc(c1)Br 34a_100011217444_200025704644 [1,1,0,0,0,0|1,0,0]=3 3547 B11R1.24 [13CH3]OCCc1cccc(c1)Br 7a_100011217444_200025704644 [1,1,0,0,0,0|1,0,0]=3 3548 B11R1.24 [13CH3]OCCc1cccc(c1)Cl 34a_100000754733_200025704644 [1,1,0,0,0,0|1,0,0]=3 3549 B11R1.24 [13CH3]OCCc1cccc(c1)Cl 7a_100000754733_200025704644 [1,1,0,0,0,0|1,0,0]=3 3550 B11R1.24 [13CH3]OCCc1cccc(c1)F 34a_100000763591_200025704644 [1,1,0,0,0,0|1,0,0]=3 3551 B11R1.24 [13CH3]OCCc1cccc(c1)F 7a_100000763591_200025704644 [1,1,0,0,0,0|1,0,0]=3 3552 B11R1.24 [13CH3]OCCc1cccc(c1)N 34a_100011996697_200025704644 [1,1,0,0,0,0|1,0,0]=3 3553 B11R1.24 [13CH3]OCCc1cccc(n1)Br 34a_100010221043_200025704644 [1,1,0,0,0,0|2,0,0]=4 3554 B11R1.24 [13CH3]OCCc1cccc(n1)Br 7a_100010221043_200025704644 [1,1,0,0,0,0|2,0,0]=4 3555 B11R1.24 [13CH3]SCCc1cccc(c1)Br 62a_100011740638_200025704644 [1,1,0,0,0,0|1,0,0]=3 3556 B11R1.24 [13CH3]SCCc1cccc(c1)Br 62a_200025704644_100011740638 [1,1,0,0,0,0|1,0,0]=3 3557 B11R1.24 [13CH3]SCCc1cccc(c1)Cl 62a_100011713710_200025704644 [1,1,0,0,0,0|1,0,0]=3 3558 B11R1.24 [13CH3]SCCc1cccc(c1)Cl 62a_200025704644_100011713710 [1,1,0,0,0,0|1,0,0]=3 3559 B11R1.24 [13CH3]SCCc1cccc(c1)F 62a_100011217235_200025704644 [1,1,0,0,0,0|1,0,0]=3 3560 B11R1.24 [13CH3]SCCc1cccc(c1)F 62a_200025704644_100011217235 [1,1,0,0,0,0|1,0,0]=3 3561 B11R1.28 BrCCOCc1ccccc1 34a_100000211926_100015291786 [1,1,0,0,0,0|2,0,0]=4 3562 B11R1.28 C#CCCNc1ccccc1 34a_100000106764_100000688953 [1,1,0,0,0,0|1,0,1]=4 3563 B11R1.28 C#CCCOc1ccccc1 34a_100000210340_100000688953 [1,1,0,0,0,0|1,0,1]=4 3564 B11R1.28 C#CCCOc1ccccc1 7a_100000210340_100000688953 [1,1,0,0,0,0|1,0,1]=4 3565 B11R1.28 C#CCCSc1ccccc1 62a_100000688953_100000041952 [1,1,0,0,0,0|1,0,1]=4 3566 B11R1.28 C#CCCSc1ccccc1 62a_100000719477_100000688953 [1,1,0,0,0,0|1,0,1]=4 3567 B11R1.28 C#CCNCc1ccccc1 2230a_100015324214_100000038162 [1,1,0,0,0,0|1,0,1]=4 3568 B11R1.28 C#CCNCc1ccccc1 34a_100000212058_100015291786 [1,1,0,0,0,0|1,0,1]=4 3569 B11R1.28 C#CCNCc1ccccc1 34a_100015324214_100000184674 [1,1,0,0,0,0|1,0,1]=4 3570 B11R1.28 C#CCOCc1ccccc1 34a_100000210247_100015291786 [1,1,0,0,0,0|1,0,1]=4 3571 B11R1.28 C#CCOCc1ccccc1 34a_100000210790_100000184674 [1,1,0,0,0,0|1,0,1]=4 3572 B11R1.28 C#CCOCc1ccccc1 7a_100000210790_100000038162 [1,1,0,0,0,0|1,0,1]=4 3573 B11R1.28 C#CCSCc1ccccc1 62a_100000038162_100015291786 [1,1,0,0,0,0|1,0,1]=4 3574 B11R1.28 C/C=C/CNc1ccccc1 34a_100000106764_100102629194 [1,1,0,0,0,0|1,0,1]=4 3575 B11R1.28 C/C=C/COc1ccccc1 34a_100000210340_100102629194 [1,1,0,0,0,0|1,0,1]=4 3576 B11R1.28 C/C=C/COc1ccccc1 7a_100000210340_100102629194 [1,1,0,0,0,0|1,0,1]=4 3577 B11R1.28 C/C=C/CSc1ccccc1 62a_100000719477_100102629194 [1,1,0,0,0,0|1,0,1]=4 3578 B11R1.28 C/C=C/CSc1ccccc1 62a_100102629194_100000041952 [1,1,0,0,0,0|1,0,1]=4 3579 B11R1.28 C=CCCNc1ccccc1 34a_100000106764_100000754431 [1,1,0,0,0,0|1,0,1]=4 3580 B11R1.28 C=CCCOc1ccccc1 34a_100000210340_100000754431 [1,1,0,0,0,0|1,0,1]=4 3581 B11R1.28 C=CCCOc1ccccc1 7a_100000210340_100000754431 [1,1,0,0,0,0|1,0,1]=4 3582 B11R1.28 C=CCCSc1ccccc1 62a_100000719477_100000754431 [1,1,0,0,0,0|1,0,1]=4 3583 B11R1.28 C=CCCSc1ccccc1 62a_100000754431_100000041952 [1,1,0,0,0,0|1,0,1]=4 3584 B11R1.28 C=CCNCc1ccccc1 2230a_100015324214_100000210623 [1,1,0,0,0,0|1,0,1]=4 3585 B11R1.28 C=CCNCc1ccccc1 2230a_100020586998_100015291786 [1,1,0,0,0,0|1,0,1]=4 3586 B11R1.28 C=CCNCc1ccccc1 270004a_100020586998_100015611070 [1,1,0,0,0,0|1,0,1]=4 3587 B11R1.28 C=CCNCc1ccccc1 34a_100015324214_100015514636 [1,1,0,0,0,0|1,0,1]=4 3588 B11R1.28 C=CCOCc1ccccc1 34a_100000210790_100015514636 [1,1,0,0,0,0|1,0,1]=4 3589 B11R1.28 C=CCOCc1ccccc1 34a_200000210373_100015291786 [1,1,0,0,0,0|1,0,1]=4 3590 B11R1.28 C=CCOCc1ccccc1 7a_100000210790_100015514636 [1,1,0,0,0,0|1,0,1]=4 3591 B11R1.28 C=CCSCc1ccccc1 62a_100000210623_100015291786 [1,1,0,0,0,0|1,0,1]=4 3592 B11R1.28 C=CCSCc1ccccc1 62a_100000211182_100000210623 [1,1,0,0,0,0|1,0,1]=4 3593 B11R1.28 CC#CCNc1ccccc1 34a_100000106764_100000748600 [1,1,0,0,0,0|1,0,1]=4 3594 B11R1.28 CC#CCOc1ccccc1 34a_100000210340_100000748600 [1,1,0,0,0,0|1,0,1]=4 3595 B11R1.28 CC#CCOc1ccccc1 7a_100000210340_100000748600 [1,1,0,0,0,0|1,0,1]=4 3596 B11R1.28 CC#CCSc1ccccc1 62a_100000719477_100000748600 [1,1,0,0,0,0|1,0,1]=4 3597 B11R1.28 CC#CCSc1ccccc1 62a_100000748600_100000041952 [1,1,0,0,0,0|1,0,1]=4 3598 B11R1.28 CC=CCNc1ccccc1 34a_100000106764_100000070051 [1,1,0,0,0,0|1,0,1]=4 3599 B11R1.28 CC=CCOc1ccccc1 34a_100000210340_100000070051 [1,1,0,0,0,0|1,0,1]=4 3600 B11R1.28 CC=CCOc1ccccc1 7a_100000210340_100000070051 [1,1,0,0,0,0|1,0,1]=4 3601 B11R1.28 CC=CCSc1ccccc1 62a_100000070051_100000041952 [1,1,0,0,0,0|1,0,1]=4 3602 B11R1.28 CC=CCSc1ccccc1 62a_100000719477_100000070051 [1,1,0,0,0,0|1,0,1]=4 3603 B11R1.28 CC=NNCc1ccccc1 4a_100000007032_200000210099 [1,1,0,0,0,0|1,0,1]=4 3604 B11R1.28 CCCC=Cc1ccccc1 271570a_100016258520_100000210277 [1,1,0,0,0,0|1,0,1]=4 3605 B11R1.28 CCCCNc1ccccc1 34a_100000106764_100000210210 [1,1,0,0,0,0|1,0,0]=3 3606 B11R1.28 CCCCOc1ccccc1 34a_100000210340_100000210210 [1,1,0,0,0,0|1,0,0]=3 3607 B11R1.28 CCCCOc1ccccc1 7a_100000210340_100000210211 [1,1,0,0,0,0|1,0,0]=3 3608 B11R1.28 CCCCOc1cccnc1 34a_100000210849_100000210210 [1,1,0,0,0,0|2,0,0]=4 3609 B11R1.28 CCCCOc1cccnc1 7a_100000210849_100000210211 [1,1,0,0,0,0|2,0,0]=4 3610 B11R1.28 CCCCOc1ccncc1 34a_100000212176_100000210210 [1,1,0,0,0,0|2,0,0]=4 3611 B11R1.28 CCCCSc1ccccc1 62a_100000210211_100000041952 [1,1,0,0,0,0|1,0,0]=3 3612 B11R1.28 CCCCSc1ccccc1 62a_100000719477_100000210210 [1,1,0,0,0,0|1,0,0]=3 3613 B11R1.28 CCCCSc1ccccn1 62a_100000210211_100011216584 [1,1,0,0,0,0|2,0,0]=4 3614 B11R1.28 CCCCSc1ccccn1 62a_100011216584_100000210210 [1,1,0,0,0,0|2,0,0]=4 3615 B11R1.28 CCCCSc1cccnc1 62a_100000210063_100000210210 [1,1,0,0,0,0|2,0,0]=4 3616 B11R1.28 CCCCSc1cccnc1 62a_100000210211_100000210063 [1,1,0,0,0,0|2,0,0]=4 3617 B11R1.28 CCCCSc1ccncc1 62a_100000210211_100000728582 [1,1,0,0,0,0|2,0,0]=4 3618 B11R1.28 CCCCSc1ccncc1 62a_100000728582_100000210210 [1,1,0,0,0,0|2,0,0]=4 3619 B11R1.28 CCCNCc1ccccc1 207a_100020643023_100015611070 [1,1,0,0,0,0|1,0,0]=3 3620 B11R1.28 CCCNCc1ccccc1 2230a_100015324214_100000210303 [1,1,0,0,0,0|1,0,0]=3 3621 B11R1.28 CCCNCc1ccccc1 270004a_100020643023_100015611070 [1,1,0,0,0,0|1,0,0]=3 3622 B11R1.28 CCCNCc1ccccc1 34a_100015324214_100000210303 [1,1,0,0,0,0|1,0,0]=3 3623 B11R1.28 CCCNCc1ccccn1 207a_100020643023_100000209966 [1,1,0,0,0,0|2,0,0]=4 3624 B11R1.28 CCCNCc1ccccn1 270004a_100020643023_100000209966 [1,1,0,0,0,0|2,0,0]=4 3625 B11R1.28 CCCNCc1cccnc1 207a_100020643023_100000209961 [1,1,0,0,0,0|2,0,0]=4 3626 B11R1.28 CCCNCc1cccnc1 270004a_100020643023_100000209961 [1,1,0,0,0,0|2,0,0]=4 3627 B11R1.28 CCCNCc1ccncc1 207a_100020643023_100000186114 [1,1,0,0,0,0|2,0,0]=4 3628 B11R1.28 CCCOCc1ccccc1 34a_100000210258_100015291786 [1,1,0,0,0,0|1,0,0]=3 3629 B11R1.28 CCCOCc1ccccc1 34a_100000210790_100000210303 [1,1,0,0,0,0|1,0,0]=3 3630 B11R1.28 CCCOCc1ccccc1 7a_100000210790_100000210303 [1,1,0,0,0,0|1,0,0]=3 3631 B11R1.28 CCCOCc1ccccn1 34a_100000210258_100000721315 [1,1,0,0,0,0|2,0,0]=4 3632 B11R1.28 CCCOCc1cccnc1 34a_100000210258_100000733263 [1,1,0,0,0,0|2,0,0]=4 3633 B11R1.28 CCCSCc1ccccc1 62a_100000210303_100015291786 [1,1,0,0,0,0|1,0,0]=3 3634 B11R1.28 CCCSCc1ccccc1 62a_100000211182_100000210303 [1,1,0,0,0,0|1,0,0]=3 3635 B11R1.28 CCCSCc1ccccn1 62a_100000210303_100000721315 [1,1,0,0,0,0|2,0,0]=4 3636 B11R1.28 CCCSCc1ccccn1 62a_100000721315_100000210303 [1,1,0,0,0,0|2,0,0]=4 3637 B11R1.28 CCCSCc1cccnc1 62a_100000210303_100000741622 [1,1,0,0,0,0|2,0,0]=4 3638 B11R1.28 CCCSCc1cccnc1 62a_100000741622_100000210303 [1,1,0,0,0,0|2,0,0]=4 3639 B11R1.28 CCCSCc1ccncc1 62a_100000210303_100015193705 [1,1,0,0,0,0|2,0,0]=4 3640 B11R1.28 CCCSCc1ccncc1 62a_100015193705_100000210303 [1,1,0,0,0,0|2,0,0]=4 3641 B11R1.28 CCNCCc1ccccc1 2230a_100000106460_100000210202 [1,1,0,0,0,0|0,0,0]=2 3642 B11R1.28 CCNCCc1ccccc1 2230a_100015525214_100000765856 [1,1,0,0,0,0|0,0,0]=2 3643 B11R1.28 CCNCCc1ccccc1 34a_100000106460_100000210202 [1,1,0,0,0,0|0,0,0]=2 3644 B11R1.28 CCNCCc1ccccn1 2230a_100015525214_100015183660 [1,1,0,0,0,0|1,0,0]=3 3645 B11R1.28 CCNCCc1cccnc1 2230a_100000736294_100000210202 [1,1,0,0,0,0|1,0,0]=3 3646 B11R1.28 CCNCCc1cccnc1 2230a_100015525214_200011713674 [1,1,0,0,0,0|1,0,0]=3 3647 B11R1.28 CCNCCc1ccncc1 2230a_100015525214_100000723409 [1,1,0,0,0,0|1,0,0]=3 3648 B11R1.28 CCNCSc1ccccc1 2230a_100015525214_100011218342 [1,1,0,0,0,0|1,0,0]=3 3649 B11R1.28 CCNN=Cc1ccccc1 4a_100000756455_100015611070 [1,1,0,0,0,0|1,0,1]=4 3650 B11R1.28 CCOCCc1ccccc1 34a_100000210268_100000210202 [1,1,0,0,0,0|1,0,0]=3 3651 B11R1.28 CCOCCc1ccccc1 34a_100121572206_100000765856 [1,1,0,0,0,0|1,0,0]=3 3652 B11R1.28 CCOCCc1ccccc1 7a_100000210268_100000210202 [1,1,0,0,0,0|1,0,0]=3 3653 B11R1.28 CCOCCc1ccccn1 34a_100000210271_100000210202 [1,1,0,0,0,0|2,0,0]=4 3654 B11R1.28 CCOCCc1cccnc1 34a_100011217484_100000210202 [1,1,0,0,0,0|2,0,0]=4 3655 B11R1.28 CCOCCc1ccncc1 34a_100011216225_100000210202 [1,1,0,0,0,0|2,0,0]=4 3656 B11R1.28 CCOCSc1ccccc1 62a_100000719477_100000739092 [1,1,0,0,0,0|2,0,0]=4 3657 B11R1.28 CCOCSc1ccccc1 62a_100000739092_100000041952 [1,1,0,0,0,0|2,0,0]=4 3658 B11R1.28 CCSCCc1ccccc1 62a_100000210202_100011218657 [1,1,0,0,0,0|1,0,0]=3 3659 B11R1.28 CCSCCc1ccccc1 62a_100000765856_100000210202 [1,1,0,0,0,0|1,0,0]=3 3660 B11R1.28 CCSCCc1ccccn1 62a_100000210202_100015183660 [1,1,0,0,0,0|2,0,0]=4 3661 B11R1.28 CCSCCc1ccccn1 62a_100015183660_100000210202 [1,1,0,0,0,0|2,0,0]=4 3662 B11R1.28 CCSCCc1cccnc1 62a_100000210202_200011713674 [1,1,0,0,0,0|2,0,0]=4 3663 B11R1.28 CCSCCc1cccnc1 62a_200011713674_100000210202 [1,1,0,0,0,0|2,0,0]=4 3664 B11R1.28 CCSCCc1ccncc1 62a_100000210202_100000723409 [1,1,0,0,0,0|2,0,0]=4 3665 B11R1.28 CCSCCc1ccncc1 62a_100000723409_100000210202 [1,1,0,0,0,0|2,0,0]=4 3666 B11R1.28 CCSCSc1ccccc1 62a_100000210202_100011218342 [1,1,0,0,0,0|2,0,0]=4 3667 B11R1.28 CCSCSc1ccccc1 62a_100011218342_100000210202 [1,1,0,0,0,0|2,0,0]=4 3668 B11R1.28 CNC/C=C/c1ccccc1 2230a_100020603302_200000210301 [1,1,0,0,0,0|0,0,1]=3 3669 B11R1.28 CNC/C=C/c1ccccc1 2230a_106832991635_100016265936 [1,1,0,0,0,0|0,0,1]=3 3670 B11R1.28 CNC/C=C/c1ccccc1 34a_100020603302_200000210301 [1,1,0,0,0,0|0,0,1]=3 3671 B11R1.28 CNC/C=C/c1ccccc1 34a_100102657272_100016265936 [1,1,0,0,0,0|0,0,1]=3 3672 B11R1.28 CNC/C=C/c1ccccc1 7a_106832991635_100016265936 [1,1,0,0,0,0|0,0,1]=3 3673 B11R1.28 CNCC#Cc1ccccc1 2230a_106832991635_100011352542 [1,1,0,0,0,0|0,0,1]=3 3674 B11R1.28 CNCC#Cc1ccccc1 34a_100000735379_200000210301 [1,1,0,0,0,0|0,0,1]=3 3675 B11R1.28 CNCC#Cc1ccccc1 34a_100102657272_100011352542 [1,1,0,0,0,0|0,0,1]=3 3676 B11R1.28 CNCC#Cc1ccccc1 7a_106832991635_100011352542 [1,1,0,0,0,0|0,0,1]=3 3677 B11R1.28 CNCC=Cc1ccccc1 270004a_106832991635_100000210105 [1,1,0,0,0,0|0,0,1]=3 3678 B11R1.28 CNCCCc1ccccc1 2230a_100000211184_200000210301 [1,1,0,0,0,0|0,0,0]=2 3679 B11R1.28 CNCCCc1ccccc1 2230a_106832991635_100000211621 [1,1,0,0,0,0|0,0,0]=2 3680 B11R1.28 CNCCCc1ccccc1 34a_100000211184_200000210301 [1,1,0,0,0,0|0,0,0]=2 3681 B11R1.28 CNCCCc1ccccc1 34a_100102657272_100000211621 [1,1,0,0,0,0|0,0,0]=2 3682 B11R1.28 CNCCCc1ccccc1 7a_106832991635_100000211621 [1,1,0,0,0,0|0,0,0]=2 3683 B11R1.28 CNCCCc1cccnc1 2230a_100011532358_200000210301 [1,1,0,0,0,0|1,0,0]=3 3684 B11R1.28 CNCCCc1cccnc1 34a_100011532358_200000210301 [1,1,0,0,0,0|1,0,0]=3 3685 B11R1.28 CNCCCc1ccncc1 2230a_100011275580_200000210301 [1,1,0,0,0,0|1,0,0]=3 3686 B11R1.28 CNCCOc1ccccc1 2230a_100000174943_200000210301 [1,1,0,0,0,0|0,0,0]=2 3687 B11R1.28 CNCCOc1ccccc1 2230a_106832991635_100000184471 [1,1,0,0,0,0|0,0,0]=2 3688 B11R1.28 CNCCOc1ccccc1 270004a_106832991635_100000758736 [1,1,0,0,0,0|0,0,0]=2 3689 B11R1.28 CNCCOc1ccccc1 34a_100000174943_200000210301 [1,1,0,0,0,0|0,0,0]=2 3690 B11R1.28 CNCCOc1ccccc1 34a_100102657272_100000184471 [1,1,0,0,0,0|0,0,0]=2 3691 B11R1.28 CNCCOc1ccccc1 7a_106832991635_100000184471 [1,1,0,0,0,0|0,0,0]=2 3692 B11R1.28 CNCCOc1ccccn1 2230a_106741647558_200000210301 [1,1,0,0,0,0|1,0,0]=3 3693 B11R1.28 CNCCOc1cccnc1 2230a_100000754688_200000210301 [1,1,0,0,0,0|1,0,0]=3 3694 B11R1.28 CNCCSc1ccccc1 2230a_100000189519_200000210301 [1,1,0,0,0,0|0,0,0]=2 3695 B11R1.28 CNCCSc1ccccc1 2230a_106832991635_100000246102 [1,1,0,0,0,0|0,0,0]=2 3696 B11R1.28 CNCCSc1ccccc1 34a_100102657272_100000246102 [1,1,0,0,0,0|0,0,0]=2 3697 B11R1.28 CNCCSc1ccccc1 7a_106832991635_100000246102 [1,1,0,0,0,0|0,0,0]=2 3698 B11R1.28 CNCOCc1ccccc1 2230a_106832991635_100000763385 [1,1,0,0,0,0|0,0,0]=2 3699 B11R1.28 CNCOCc1ccccc1 34a_100102657272_100000763385 [1,1,0,0,0,0|0,0,0]=2 3700 B11R1.28 CNCSCc1ccccc1 2230a_106832991635_200011217039 [1,1,0,0,0,0|0,0,0]=2 3701 B11R1.28 CNCSCc1ccccc1 34a_100102657272_200011217039 [1,1,0,0,0,0|0,0,0]=2 3702 B11R1.28 COC/C=C/c1ccccc1 34a_100000210256_200000210301 [1,1,0,0,0,0|1,0,1]=4 3703 B11R1.28 COC/C=C/c1ccccc1 34a_100138415774_100016265936 [1,1,0,0,0,0|1,0,1]=4 3704 B11R1.28 COCC#Cc1ccccc1 34a_100011217464_200000210301 [1,1,0,0,0,0|1,0,1]=4 3705 B11R1.28 COCC#Cc1ccccc1 34a_100138415774_100011352542 [1,1,0,0,0,0|1,0,1]=4 3706 B11R1.28 COCC#Cc1ccccc1 7a_100011217464_200000210301 [1,1,0,0,0,0|1,0,1]=4 3707 B11R1.28 COCC=Cc1ccccc1 271570a_100016286323_100000210277 [1,1,0,0,0,0|1,0,1]=4 3708 B11R1.28 COCCCc1ccccc1 34a_100000210828_200000210301 [1,1,0,0,0,0|1,0,0]=3 3709 B11R1.28 COCCCc1ccccc1 34a_100138415774_100000211621 [1,1,0,0,0,0|1,0,0]=3 3710 B11R1.28 COCCCc1ccccc1 7a_100000210828_200000210301 [1,1,0,0,0,0|1,0,0]=3 3711 B11R1.28 COCCCc1ccccn1 34a_100011215068_200000210301 [1,1,0,0,0,0|2,0,0]=4 3712 B11R1.28 COCCCc1cccnc1 34a_100000211284_200000210301 [1,1,0,0,0,0|2,0,0]=4 3713 B11R1.28 COCCCc1ccncc1 34a_100000210659_200000210301 [1,1,0,0,0,0|2,0,0]=4 3714 B11R1.28 COCCNc1ccccc1 34a_100000106764_100011201679 [1,1,0,0,0,0|1,0,0]=3 3715 B11R1.28 COCCNc1ccccc1 34a_100000211345_200000210301 [1,1,0,0,0,0|1,0,0]=3 3716 B11R1.28 COCCNc1ccncc1 34a_200011243140_200000210301 [1,1,0,0,0,0|2,0,0]=4 3717 B11R1.28 COCCOc1ccccc1 34a_100000210260_200000210301 [1,1,0,0,0,0|1,0,0]=3 3718 B11R1.28 COCCOc1ccccc1 34a_100000210340_100011201679 [1,1,0,0,0,0|1,0,0]=3 3719 B11R1.28 COCCOc1ccccc1 34a_100138415774_100000184471 [1,1,0,0,0,0|1,0,0]=3 3720 B11R1.28 COCCOc1ccccc1 7a_100000210260_200000210301 [1,1,0,0,0,0|1,0,0]=3 3721 B11R1.28 COCCOc1ccccc1 7a_100000210340_100000233755 [1,1,0,0,0,0|1,0,0]=3 3722 B11R1.28 COCCOc1cccnc1 34a_100000210849_100011201679 [1,1,0,0,0,0|2,0,0]=4 3723 B11R1.28 COCCOc1cccnc1 7a_100000210849_100000233755 [1,1,0,0,0,0|2,0,0]=4 3724 B11R1.28 COCCOc1ccncc1 34a_100000212176_100011201679 [1,1,0,0,0,0|2,0,0]=4 3725 B11R1.28 COCCSc1ccccc1 34a_100138415774_100000246102 [1,1,0,0,0,0|1,0,0]=3 3726 B11R1.28 COCCSc1ccccc1 62a_100000233755_100000041952 [1,1,0,0,0,0|1,0,0]=3 3727 B11R1.28 COCCSc1ccccc1 62a_100000719477_100000233755 [1,1,0,0,0,0|1,0,0]=3 3728 B11R1.28 COCCSc1ccccc1 7a_100000230494_200000210301 [1,1,0,0,0,0|1,0,0]=3 3729 B11R1.28 COCCSc1ccccn1 62a_100000233755_100011216584 [1,1,0,0,0,0|2,0,0]=4 3730 B11R1.28 COCCSc1ccccn1 62a_100011216584_100000233755 [1,1,0,0,0,0|2,0,0]=4 3731 B11R1.28 COCCSc1ccccn1 7a_100000156319_200000210301 [1,1,0,0,0,0|2,0,0]=4 3732 B11R1.28 COCCSc1cccnc1 62a_100000210063_100000233755 [1,1,0,0,0,0|2,0,0]=4 3733 B11R1.28 COCCSc1cccnc1 62a_100000233755_100000210063 [1,1,0,0,0,0|2,0,0]=4 3734 B11R1.28 COCCSc1ccncc1 62a_100000233755_100000728582 [1,1,0,0,0,0|2,0,0]=4 3735 B11R1.28 COCCSc1ccncc1 62a_100000728582_100000233755 [1,1,0,0,0,0|2,0,0]=4 3736 B11R1.28 COCNCc1ccccc1 2230a_100015324214_100000766300 [1,1,0,0,0,0|1,0,0]=3 3737 B11R1.28 COCOCc1ccccc1 34a_100138415774_100000763385 [1,1,0,0,0,0|1,0,0]=3 3738 B11R1.28 COCSCc1ccccc1 34a_100138415774_200011217039 [1,1,0,0,0,0|1,0,0]=3 3739 B11R1.28 COCSCc1ccccc1 62a_100000211182_100000766300 [1,1,0,0,0,0|1,0,0]=3 3740 B11R1.28 COCSCc1ccccc1 62a_100000766300_100015291786 [1,1,0,0,0,0|1,0,0]=3 3741 B11R1.28 COCSCc1ccccn1 62a_100000721315_100000766300 [1,1,0,0,0,0|2,0,0]=4 3742 B11R1.28 COCSCc1ccccn1 62a_100000766300_100000721315 [1,1,0,0,0,0|2,0,0]=4 3743 B11R1.28 COCSCc1cccnc1 62a_100000741622_100000766300 [1,1,0,0,0,0|2,0,0]=4 3744 B11R1.28 COCSCc1cccnc1 62a_100000766300_100000741622 [1,1,0,0,0,0|2,0,0]=4 3745 B11R1.28 COCSCc1ccncc1 62a_100000766300_100015193705 [1,1,0,0,0,0|2,0,0]=4 3746 B11R1.28 COCSCc1ccncc1 62a_100015193705_100000766300 [1,1,0,0,0,0|2,0,0]=4 3747 B11R1.28 CSC/C=C/c1ccccc1 62a_100016265936_200000210301 [1,1,0,0,0,0|1,0,1]=4 3748 B11R1.28 CSC/C=C/c1ccccc1 62a_200000210301_100016265936 [1,1,0,0,0,0|1,0,1]=4 3749 B11R1.28 CSCC#Cc1ccccc1 62a_200000210301_100011352542 [1,1,0,0,0,0|1,0,1]=4 3750 B11R1.28 CSCCCc1ccccc1 62a_100000211621_200000210301 [1,1,0,0,0,0|1,0,0]=3 3751 B11R1.28 CSCCCc1ccccc1 62a_200000210301_100000211621 [1,1,0,0,0,0|1,0,0]=3 3752 B11R1.28 CSCCNc1ccccc1 34a_100000106764_100000212216 [1,1,0,0,0,0|1,0,0]=3 3753 B11R1.28 CSCCOc1ccccc1 34a_100000210340_100000212216 [1,1,0,0,0,0|1,0,0]=3 3754 B11R1.28 CSCCOc1ccccc1 62a_100000184471_200000210301 [1,1,0,0,0,0|1,0,0]=3 3755 B11R1.28 CSCCOc1ccccc1 62a_200000210301_100000184471 [1,1,0,0,0,0|1,0,0]=3 3756 B11R1.28 CSCCOc1ccccc1 7a_100000210340_100000212216 [1,1,0,0,0,0|1,0,0]=3 3757 B11R1.28 CSCCOc1cccnc1 34a_100000210849_100000212216 [1,1,0,0,0,0|2,0,0]=4 3758 B11R1.28 CSCCOc1cccnc1 7a_100000210849_100000212216 [1,1,0,0,0,0|2,0,0]=4 3759 B11R1.28 CSCCOc1ccncc1 34a_100000212176_100000212216 [1,1,0,0,0,0|2,0,0]=4 3760 B11R1.28 CSCCSc1ccccc1 62a_100000212216_100000041952 [1,1,0,0,0,0|1,0,0]=3 3761 B11R1.28 CSCCSc1ccccc1 62a_100000246102_200000210301 [1,1,0,0,0,0|1,0,0]=3 3762 B11R1.28 CSCCSc1ccccc1 62a_100000719477_100000751147 [1,1,0,0,0,0|1,0,0]=3 3763 B11R1.28 CSCCSc1ccccc1 62a_200000210301_100000246102 [1,1,0,0,0,0|1,0,0]=3 3764 B11R1.28 CSCCSc1ccccn1 62a_100000212216_100011216584 [1,1,0,0,0,0|2,0,0]=4 3765 B11R1.28 CSCCSc1ccccn1 62a_100011216584_100000751147 [1,1,0,0,0,0|2,0,0]=4 3766 B11R1.28 CSCCSc1cccnc1 62a_100000210063_100000751147 [1,1,0,0,0,0|2,0,0]=4 3767 B11R1.28 CSCCSc1cccnc1 62a_100000212216_100000210063 [1,1,0,0,0,0|2,0,0]=4 3768 B11R1.28 CSCCSc1ccncc1 62a_100000212216_100000728582 [1,1,0,0,0,0|2,0,0]=4 3769 B11R1.28 CSCCSc1ccncc1 62a_100000728582_100000751147 [1,1,0,0,0,0|2,0,0]=4 3770 B11R1.28 CSCNCc1ccccc1 2230a_100015324214_100011218213 [1,1,0,0,0,0|1,0,0]=3 3771 B11R1.28 CSCNCc1ccccc1 34a_100015324214_100011218213 [1,1,0,0,0,0|1,0,0]=3 3772 B11R1.28 CSCOCc1ccccc1 34a_100000210790_100011218213 [1,1,0,0,0,0|1,0,0]=3 3773 B11R1.28 CSCOCc1ccccc1 62a_100000763385_200000210301 [1,1,0,0,0,0|1,0,0]=3 3774 B11R1.28 CSCOCc1ccccc1 62a_200000210301_100000763385 [1,1,0,0,0,0|1,0,0]=3 3775 B11R1.28 CSCSCc1ccccc1 62a_100000211182_100011218213 [1,1,0,0,0,0|1,0,0]=3 3776 B11R1.28 CSCSCc1ccccc1 62a_100011218213_100015291786 [1,1,0,0,0,0|1,0,0]=3 3777 B11R1.28 CSCSCc1ccccc1 62a_200000210301_200011217039 [1,1,0,0,0,0|1,0,0]=3 3778 B11R1.28 CSCSCc1ccccc1 62a_200011217039_200000210301 [1,1,0,0,0,0|1,0,0]=3 3779 B11R1.28 CSCSCc1ccccn1 62a_100000721315_100011218213 [1,1,0,0,0,0|2,0,0]=4 3780 B11R1.28 CSCSCc1ccccn1 62a_100011218213_100000721315 [1,1,0,0,0,0|2,0,0]=4 3781 B11R1.28 CSCSCc1cccnc1 62a_100000741622_100011218213 [1,1,0,0,0,0|2,0,0]=4 3782 B11R1.28 CSCSCc1cccnc1 62a_100011218213_100000741622 [1,1,0,0,0,0|2,0,0]=4 3783 B11R1.28 CSCSCc1ccncc1 62a_100011218213_100015193705 [1,1,0,0,0,0|2,0,0]=4 3784 B11R1.28 CSCSCc1ccncc1 62a_100015193705_100011218213 [1,1,0,0,0,0|2,0,0]=4 3785 B11R1.28 FCCCNc1ccccc1 34a_100000106764_100011934791 [1,1,0,0,0,0|2,0,0]=4 3786 B11R1.28 FCCCOc1ccccc1 34a_100000210340_100011934791 [1,1,0,0,0,0|2,0,0]=4 3787 B11R1.28 FCCCOc1ccccc1 7a_100000210340_100011934791 [1,1,0,0,0,0|2,0,0]=4 3788 B11R1.28 FCCCSc1ccccc1 62a_100000719477_100011934791 [1,1,0,0,0,0|2,0,0]=4 3789 B11R1.28 FCCCSc1ccccc1 62a_100011934791_100000041952 [1,1,0,0,0,0|2,0,0]=4 3790 B11R1.28 FCCNCc1ccccc1 2230a_100015324214_100011217306 [1,1,0,0,0,0|2,0,0]=4 3791 B11R1.28 FCCNCc1ccccc1 34a_100000724931_100015291786 [1,1,0,0,0,0|2,0,0]=4 3792 B11R1.28 FCCNCc1ccccc1 34a_100015324214_100011217306 [1,1,0,0,0,0|2,0,0]=4 3793 B11R1.28 FCCOCc1ccccc1 34a_100000210790_100011217306 [1,1,0,0,0,0|2,0,0]=4 3794 B11R1.28 FCCOCc1ccccc1 7a_100000210790_100011217306 [1,1,0,0,0,0|2,0,0]=4 3795 B11R1.28 FCCSCc1ccccc1 62a_100000211182_100011217306 [1,1,0,0,0,0|2,0,0]=4 3796 B11R1.28 FCCSCc1ccccc1 62a_100011217306_100015291786 [1,1,0,0,0,0|2,0,0]=4 3797 B11R1.28 FCNCCc1ccccc1 34a_100000106460_100015361967 [1,1,0,0,0,0|0,0,0]=2 3798 B11R1.28 FCOCCc1ccccc1 34a_100000210268_100015361967 [1,1,0,0,0,0|1,0,0]=3 3799 B11R1.28 FCOCCc1ccccc1 7a_100000210268_100015361967 [1,1,0,0,0,0|1,0,0]=3 3800 B11R1.28 FCOCCc1ccccn1 34a_100000210271_100015361967 [1,1,0,0,0,0|2,0,0]=4 3801 B11R1.28 FCOCCc1cccnc1 34a_100011217484_100015361967 [1,1,0,0,0,0|2,0,0]=4 3802 B11R1.28 FCOCCc1ccncc1 34a_100011216225_100015361967 [1,1,0,0,0,0|2,0,0]=4 3803 B11R1.28 FCSCCc1ccccc1 62a_100000765856_100015361967 [1,1,0,0,0,0|1,0,0]=3 3804 B11R1.28 FCSCCc1ccccc1 62a_100015361967_100011218657 [1,1,0,0,0,0|1,0,0]=3 3805 B11R1.28 FCSCCc1ccccn1 62a_100015183660_100015361967 [1,1,0,0,0,0|2,0,0]=4 3806 B11R1.28 FCSCCc1ccccn1 62a_100015361967_100015183660 [1,1,0,0,0,0|2,0,0]=4 3807 B11R1.28 FCSCCc1cccnc1 62a_100015361967_200011713674 [1,1,0,0,0,0|2,0,0]=4 3808 B11R1.28 FCSCCc1cccnc1 62a_200011713674_100015361967 [1,1,0,0,0,0|2,0,0]=4 3809 B11R1.28 FCSCCc1ccncc1 62a_100000723409_100015361967 [1,1,0,0,0,0|2,0,0]=4 3810 B11R1.28 FCSCCc1ccncc1 62a_100015361967_100000723409 [1,1,0,0,0,0|2,0,0]=4 3811 B11R1.28 FCSCSc1ccccc1 62a_100011218342_100015361967 [1,1,0,0,0,0|2,0,0]=4 3812 B11R1.28 FCSCSc1ccccc1 62a_100015361967_100011218342 [1,1,0,0,0,0|2,0,0]=4 3813 B11R1.28 N#CCCOc1ccccc1 7a_100000210340_100000184422 [1,1,0,0,0,0|2,0,0]=4 3814 B11R1.28 N#CCCSc1ccccc1 62a_100000719477_100011215226 [1,1,0,0,0,0|2,0,0]=4 3815 B11R1.28 N#CCCSc1ccccc1 62a_100011215226_100000041952 [1,1,0,0,0,0|2,0,0]=4 3816 B11R1.28 N#CCNCc1ccccc1 2230a_100015324214_100011215382 [1,1,0,0,0,0|2,0,0]=4 3817 B11R1.28 N#CCOCc1ccccc1 7a_100000210790_100011215382 [1,1,0,0,0,0|2,0,0]=4 3818 B11R1.28 N#CCSCc1ccccc1 62a_100000211182_100011215382 [1,1,0,0,0,0|2,0,0]=4 3819 B11R1.28 N#CCSCc1ccccc1 62a_100011215382_100015291786 [1,1,0,0,0,0|2,0,0]=4 3820 B11R1.28 NCCOCc1ccccc1 34a_100000210304_100015291786 [1,1,0,0,0,0|2,0,0]=4 3821 B11R1.28 O=CCNCc1ccccc1 2230a_100015324214_200015260668 [1,1,0,0,0,0|2,0,0]=4 3822 B11R1.28 O=CCNCc1ccccc1 34a_100015324214_200009817547 [1,1,0,0,0,0|2,0,0]=4 3823 B11R1.28 O=CCOCc1ccccc1 34a_100000210790_200009817547 [1,1,0,0,0,0|2,0,0]=4 3824 B11R1.28 O=CCOCc1ccccc1 7a_100000210790_200015260668 [1,1,0,0,0,0|2,0,0]=4 3825 B11R1.28 O=CCSCc1ccccc1 62a_100000211182_200015260668 [1,1,0,0,0,0|2,0,0]=4 3826 B11R1.28 O=CCSCc1ccccc1 62a_200015260668_100015291786 [1,1,0,0,0,0|2,0,0]=4 3827 B11R1.28 OCCCNc1ccccc1 34a_100000106764_100000230001 [1,1,0,0,0,0|2,0,0]=4 3828 B11R1.28 OCCCOc1ccccc1 34a_100000210340_100000230001 [1,1,0,0,0,0|2,0,0]=4 3829 B11R1.28 OCCCOc1ccccc1 7a_100000210340_100011215043 [1,1,0,0,0,0|2,0,0]=4 3830 B11R1.28 OCCCSc1ccccc1 62a_100000719477_100011215043 [1,1,0,0,0,0|2,0,0]=4 3831 B11R1.28 OCCCSc1ccccc1 62a_100011215043_100000041952 [1,1,0,0,0,0|2,0,0]=4 3832 B11R1.28 OCCNCc1ccccc1 207a_100000210304_100015611070 [1,1,0,0,0,0|2,0,0]=4 3833 B11R1.28 OCCNCc1ccccc1 2230a_100015324214_100000211926 [1,1,0,0,0,0|2,0,0]=4 3834 B11R1.28 OCCNCc1ccccc1 2230a_100016997473_100015291786 [1,1,0,0,0,0|2,0,0]=4 3835 B11R1.28 OCCNCc1ccccc1 270004a_100000210304_100015611070 [1,1,0,0,0,0|2,0,0]=4 3836 B11R1.28 OCCNCc1ccccc1 34a_100015324214_100000211926 [1,1,0,0,0,0|2,0,0]=4 3837 B11R1.28 OCCNCc1ccccc1 34a_100016990907_100015291786 [1,1,0,0,0,0|2,0,0]=4 3838 B11R1.28 OCCOCc1ccccc1 34a_100000210790_100000211926 [1,1,0,0,0,0|2,0,0]=4 3839 B11R1.28 OCCOCc1ccccc1 7a_100000210790_100000211926 [1,1,0,0,0,0|2,0,0]=4 3840 B11R1.28 OCCSCc1ccccc1 62a_100000211182_100000211926 [1,1,0,0,0,0|2,0,0]=4 3841 B11R1.28 OCCSCc1ccccc1 62a_100000211926_100015291786 [1,1,0,0,0,0|2,0,0]=4 3842 B11R1.28 [13CH3]NC/C=C/c1ccccc1 2230a_100020603302_200025704644 [1,1,0,0,0,0|0,0,1]=3 3843 B11R1.28 [13CH3]NC/C=C/c1ccccc1 34a_100020603302_200025704644 [1,1,0,0,0,0|0,0,1]=3 3844 B11R1.28 [13CH3]NCC#Cc1ccccc1 34a_100000735379_200025704644 [1,1,0,0,0,0|0,0,1]=3 3845 B11R1.28 [13CH3]NCCCc1ccccc1 2230a_100000211184_200025704644 [1,1,0,0,0,0|0,0,0]=2 3846 B11R1.28 [13CH3]NCCCc1ccccc1 34a_100000211184_200025704644 [1,1,0,0,0,0|0,0,0]=2 3847 B11R1.28 [13CH3]NCCCc1cccnc1 2230a_100011532358_200025704644 [1,1,0,0,0,0|1,0,0]=3 3848 B11R1.28 [13CH3]NCCCc1cccnc1 34a_100011532358_200025704644 [1,1,0,0,0,0|1,0,0]=3 3849 B11R1.28 [13CH3]NCCCc1ccncc1 2230a_100011275580_200025704644 [1,1,0,0,0,0|1,0,0]=3 3850 B11R1.28 [13CH3]NCCOc1ccccc1 2230a_100000174943_200025704644 [1,1,0,0,0,0|0,0,0]=2 3851 B11R1.28 [13CH3]NCCOc1ccccc1 34a_100000174943_200025704644 [1,1,0,0,0,0|0,0,0]=2 3852 B11R1.28 [13CH3]NCCOc1ccccn1 2230a_106741647558_200025704644 [1,1,0,0,0,0|1,0,0]=3 3853 B11R1.28 [13CH3]NCCOc1cccnc1 2230a_100000754688_200025704644 [1,1,0,0,0,0|1,0,0]=3 3854 B11R1.28 [13CH3]NCCSc1ccccc1 2230a_100000189519_200025704644 [1,1,0,0,0,0|0,0,0]=2 3855 B11R1.28 [13CH3]OC/C=C/c1ccccc1 34a_100000210256_200025704644 [1,1,0,0,0,0|1,0,1]=4 3856 B11R1.28 [13CH3]OCC#Cc1ccccc1 34a_100011217464_200025704644 [1,1,0,0,0,0|1,0,1]=4 3857 B11R1.28 [13CH3]OCC#Cc1ccccc1 7a_100011217464_200025704644 [1,1,0,0,0,0|1,0,1]=4 3858 B11R1.28 [13CH3]OCCCc1ccccc1 34a_100000210828_200025704644 [1,1,0,0,0,0|1,0,0]=3 3859 B11R1.28 [13CH3]OCCCc1ccccc1 7a_100000210828_200025704644 [1,1,0,0,0,0|1,0,0]=3 3860 B11R1.28 [13CH3]OCCCc1ccccn1 34a_100011215068_200025704644 [1,1,0,0,0,0|2,0,0]=4 3861 B11R1.28 [13CH3]OCCCc1cccnc1 34a_100000211284_200025704644 [1,1,0,0,0,0|2,0,0]=4 3862 B11R1.28 [13CH3]OCCCc1ccncc1 34a_100000210659_200025704644 [1,1,0,0,0,0|2,0,0]=4 3863 B11R1.28 [13CH3]OCCNc1ccccc1 34a_100000211345_200025704644 [1,1,0,0,0,0|1,0,0]=3 3864 B11R1.28 [13CH3]OCCNc1ccncc1 34a_200011243140_200025704644 [1,1,0,0,0,0|2,0,0]=4 3865 B11R1.28 [13CH3]OCCOc1ccccc1 34a_100000210260_200025704644 [1,1,0,0,0,0|1,0,0]=3 3866 B11R1.28 [13CH3]OCCOc1ccccc1 7a_100000210260_200025704644 [1,1,0,0,0,0|1,0,0]=3 3867 B11R1.28 [13CH3]OCCSc1ccccc1 7a_100000230494_200025704644 [1,1,0,0,0,0|1,0,0]=3 3868 B11R1.28 [13CH3]OCCSc1ccccn1 7a_100000156319_200025704644 [1,1,0,0,0,0|2,0,0]=4 3869 B11R1.28 [13CH3]SC/C=C/c1ccccc1 62a_100016265936_200025704644 [1,1,0,0,0,0|1,0,1]=4 3870 B11R1.28 [13CH3]SC/C=C/c1ccccc1 62a_200025704644_100016265936 [1,1,0,0,0,0|1,0,1]=4 3871 B11R1.28 [13CH3]SCC#Cc1ccccc1 62a_200025704644_100011352542 [1,1,0,0,0,0|1,0,1]=4 3872 B11R1.28 [13CH3]SCCCc1ccccc1 62a_100000211621_200025704644 [1,1,0,0,0,0|1,0,0]=3 3873 B11R1.28 [13CH3]SCCCc1ccccc1 62a_200025704644_100000211621 [1,1,0,0,0,0|1,0,0]=3 3874 B11R1.28 [13CH3]SCCOc1ccccc1 62a_100000184471_200025704644 [1,1,0,0,0,0|1,0,0]=3 3875 B11R1.28 [13CH3]SCCOc1ccccc1 62a_200025704644_100000184471 [1,1,0,0,0,0|1,0,0]=3 3876 B11R1.28 [13CH3]SCCSc1ccccc1 62a_100000246102_200025704644 [1,1,0,0,0,0|1,0,0]=3 3877 B11R1.28 [13CH3]SCCSc1ccccc1 62a_200025704644_100000246102 [1,1,0,0,0,0|1,0,0]=3 3878 B11R1.28 [13CH3]SCOCc1ccccc1 62a_100000763385_200025704644 [1,1,0,0,0,0|1,0,0]=3 3879 B11R1.28 [13CH3]SCOCc1ccccc1 62a_200025704644_100000763385 [1,1,0,0,0,0|1,0,0]=3 3880 B11R1.28 [13CH3]SCSCc1ccccc1 62a_200011217039_200025704644 [1,1,0,0,0,0|1,0,0]=3 3881 B11R1.28 [13CH3]SCSCc1ccccc1 62a_200025704644_200011217039 [1,1,0,0,0,0|1,0,0]=3 3882 B11R1.91 C=C(C)CNc1ccccc1 34a_100000106764_100000748629 [1,1,0,0,0,0|2,0,0]=4 3883 B11R1.91 C=C(C)COc1ccccc1 34a_100000210340_100000748629 [1,1,0,0,0,0|2,0,0]=4 3884 B11R1.91 C=C(C)COc1ccccc1 7a_100000210340_100000748629 [1,1,0,0,0,0|2,0,0]=4 3885 B11R1.91 C=C(C)CSc1ccccc1 62a_100000719477_100000211660 [1,1,0,0,0,0|2,0,0]=4 3886 B11R1.91 C=C(C)CSc1ccccc1 62a_100000748629_100000041952 [1,1,0,0,0,0|2,0,0]=4 3887 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000070787_100000765856 [1,1,0,0,0,0|1,0,0]=3 3888 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000185753_200000210301 [1,1,0,0,0,0|1,0,0]=3 3889 B11R1.91 CC(=O)CCc1ccccn1 1458a_100000070787_100015183660 [1,1,0,0,0,0|2,0,0]=4 3890 B11R1.91 CC(=O)CCc1ccccn1 1458a_100015195070_200000210301 [1,1,0,0,0,0|2,0,0]=4 3891 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000070787_200011713674 [1,1,0,0,0,0|2,0,0]=4 3892 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000198484_200000210301 [1,1,0,0,0,0|2,0,0]=4 3893 B11R1.91 CC(=O)CCc1ccncc1 1458a_100000070787_100000723409 [1,1,0,0,0,0|2,0,0]=4 3894 B11R1.91 CC(=O)CCc1ccncc1 1458a_100011225043_200000210301 [1,1,0,0,0,0|2,0,0]=4 3895 B11R1.91 CC(=O)COc1ccccc1 1458a_100000186222_200000210301 [1,1,0,0,0,0|2,0,0]=4 3896 B11R1.91 CC(=O)CSc1ccccc1 1458a_100000211596_200000210301 [1,1,0,0,0,0|2,0,0]=4 3897 B11R1.91 CC(=O)NCc1ccccc1 11a_100015324214_100015343762 [1,1,0,0,0,0|2,0,0]=4 3898 B11R1.91 CC(=O)NCc1ccccc1 1626a_100015324214_100015343762 [1,1,0,0,0,0|2,0,0]=4 3899 B11R1.91 CC(=O)NCc1ccccc1 240690a_100015324214_100015343762 [1,1,0,0,0,0|2,0,0]=4 3900 B11R1.91 CC(=O)NCc1ccccc1 527a_100015324214_100103153847 [1,1,0,0,0,0|2,0,0]=4 3901 B11R1.91 CC(C)CNc1ccccc1 34a_100000106764_100000210624 [1,1,0,0,0,0|2,0,0]=4 3902 B11R1.91 CC(C)COc1ccccc1 34a_100000210340_100000210624 [1,1,0,0,0,0|2,0,0]=4 3903 B11R1.91 CC(C)COc1ccccc1 7a_100000210340_100000210760 [1,1,0,0,0,0|2,0,0]=4 3904 B11R1.91 CC(C)CSc1ccccc1 62a_100000210624_100000041952 [1,1,0,0,0,0|2,0,0]=4 3905 B11R1.91 CC(C)CSc1ccccc1 62a_100000719477_100000210760 [1,1,0,0,0,0|2,0,0]=4 3906 B11R1.91 CC(C)NCc1ccccc1 207a_100138425928_100015611070 [1,1,0,0,0,0|2,0,0]=4 3907 B11R1.91 CC(C)NCc1ccccc1 2230a_100015324214_100000210206 [1,1,0,0,0,0|2,0,0]=4 3908 B11R1.91 CC(C)NCc1ccccc1 2230a_100138425928_100015291786 [1,1,0,0,0,0|2,0,0]=4 3909 B11R1.91 CC(C)NCc1ccccc1 34a_100015324214_100000210206 [1,1,0,0,0,0|2,0,0]=4 3910 B11R1.91 CC(C)NCc1ccccc1 34a_100138425928_100015291786 [1,1,0,0,0,0|2,0,0]=4 3911 B11R1.91 CC(C)OCc1ccccc1 34a_100000210790_100000210206 [1,1,0,0,0,0|2,0,0]=4 3912 B11R1.91 CC(C)OCc1ccccc1 34a_100000212225_100015291786 [1,1,0,0,0,0|2,0,0]=4 3913 B11R1.91 CC(C)OCc1ccccc1 7a_100000210790_100000210206 [1,1,0,0,0,0|2,0,0]=4 3914 B11R1.91 CC(C)SCc1ccccc1 62a_100000210206_100015291786 [1,1,0,0,0,0|2,0,0]=4 3915 B11R1.91 CC(C)SCc1ccccc1 62a_100000211182_100000210206 [1,1,0,0,0,0|2,0,0]=4 3916 B11R1.91 CC(O)CNc1ccccc1 34a_100000106764_100011218427 [1,1,0,0,0,0|2,0,0]=4 3917 B11R1.91 CC(O)COc1ccccc1 34a_100000210340_100011218427 [1,1,0,0,0,0|2,0,0]=4 3918 B11R1.91 CC(O)COc1ccccc1 7a_100000210340_100011218427 [1,1,0,0,0,0|2,0,0]=4 3919 B11R1.91 CC(O)CSc1ccccc1 62a_100000719477_100011218427 [1,1,0,0,0,0|2,0,0]=4 3920 B11R1.91 CC(O)CSc1ccccc1 62a_100011218427_100000041952 [1,1,0,0,0,0|2,0,0]=4 3921 B11R1.91 CN(C)CCc1ccccc1 2230a_100000207497_200000210301 [1,1,0,0,0,0|0,0,0]=2 3922 B11R1.91 CN(C)CCc1ccccc1 2230a_100102631434_100000765856 [1,1,0,0,0,0|0,0,0]=2 3923 B11R1.91 CN(C)CCc1ccccc1 269982a_100000207497_200000210301 [1,1,0,0,0,0|0,0,0]=2 3924 B11R1.91 CN(C)CCc1ccccc1 269982a_100102631434_100000765856 [1,1,0,0,0,0|0,0,0]=2 3925 B11R1.91 CN(C)CCc1ccccn1 2230a_100000737206_200000210301 [1,1,0,0,0,0|1,0,0]=3 3926 B11R1.91 CN(C)CCc1ccccn1 2230a_100102631434_100015183660 [1,1,0,0,0,0|1,0,0]=3 3927 B11R1.91 CN(C)CCc1ccccn1 269982a_100000737206_200000210301 [1,1,0,0,0,0|1,0,0]=3 3928 B11R1.91 CN(C)CCc1ccccn1 269982a_100102631434_100015183660 [1,1,0,0,0,0|1,0,0]=3 3929 B11R1.91 CN(C)CCc1cccnc1 2230a_100000763209_200000210301 [1,1,0,0,0,0|1,0,0]=3 3930 B11R1.91 CN(C)CCc1cccnc1 2230a_100102631434_200011713674 [1,1,0,0,0,0|1,0,0]=3 3931 B11R1.91 CN(C)CCc1cccnc1 269982a_100000763209_200000210301 [1,1,0,0,0,0|1,0,0]=3 3932 B11R1.91 CN(C)CCc1cccnc1 269982a_100102631434_200011713674 [1,1,0,0,0,0|1,0,0]=3 3933 B11R1.91 CN(C)CCc1ccncc1 2230a_100000742850_200000210301 [1,1,0,0,0,0|1,0,0]=3 3934 B11R1.91 CN(C)CCc1ccncc1 2230a_100102631434_100000723409 [1,1,0,0,0,0|1,0,0]=3 3935 B11R1.91 CN(C)CCc1ccncc1 269982a_100000742850_200000210301 [1,1,0,0,0,0|1,0,0]=3 3936 B11R1.91 CN(C)CCc1ccncc1 269982a_100102631434_100000723409 [1,1,0,0,0,0|1,0,0]=3 3937 B11R1.91 CN(C)CSc1ccccc1 2230a_100102631434_100011218342 [1,1,0,0,0,0|1,0,0]=3 3938 B11R1.91 CN(C)CSc1ccccc1 269982a_100102631434_100011218342 [1,1,0,0,0,0|1,0,0]=3 3939 B11R1.91 CN([13CH3])CCc1ccccc1 2230a_100000207497_200025704644 [1,1,0,0,0,0|0,0,0]=2 3940 B11R1.91 CN([13CH3])CCc1ccccc1 269982a_100000207497_200025704644 [1,1,0,0,0,0|0,0,0]=2 3941 B11R1.91 CN([13CH3])CCc1ccccn1 2230a_100000737206_200025704644 [1,1,0,0,0,0|1,0,0]=3 3942 B11R1.91 CN([13CH3])CCc1ccccn1 269982a_100000737206_200025704644 [1,1,0,0,0,0|1,0,0]=3 3943 B11R1.91 CN([13CH3])CCc1cccnc1 2230a_100000763209_200025704644 [1,1,0,0,0,0|1,0,0]=3 3944 B11R1.91 CN([13CH3])CCc1cccnc1 269982a_100000763209_200025704644 [1,1,0,0,0,0|1,0,0]=3 3945 B11R1.91 CN([13CH3])CCc1ccncc1 2230a_100000742850_200025704644 [1,1,0,0,0,0|1,0,0]=3 3946 B11R1.91 CN([13CH3])CCc1ccncc1 269982a_100000742850_200025704644 [1,1,0,0,0,0|1,0,0]=3 3947 B11R1.91 C[C@@H](O)CNc1ccccc1 34a_100000106764_100009817552 [1,1,0,0,0,0|2,0,0]=4 3948 B11R1.91 C[C@@H](O)COc1ccccc1 34a_100000210340_100009817552 [1,1,0,0,0,0|2,0,0]=4 3949 B11R1.91 C[C@@H](O)COc1ccccc1 7a_100000210340_100009817552 [1,1,0,0,0,0|2,0,0]=4 3950 B11R1.91 C[C@@H](O)CSc1ccccc1 62a_100000719477_100009817552 [1,1,0,0,0,0|2,0,0]=4 3951 B11R1.91 C[C@@H](O)CSc1ccccc1 62a_100009817552_100000041952 [1,1,0,0,0,0|2,0,0]=4 3952 B11R1.91 [13CH3]C(=O)CCc1ccccc1 1458a_100000185753_200025704644 [1,1,0,0,0,0|1,0,0]=3 3953 B11R1.91 [13CH3]C(=O)CCc1ccccn1 1458a_100015195070_200025704644 [1,1,0,0,0,0|2,0,0]=4 3954 B11R1.91 [13CH3]C(=O)CCc1cccnc1 1458a_100000198484_200025704644 [1,1,0,0,0,0|2,0,0]=4 3955 B11R1.91 [13CH3]C(=O)CCc1ccncc1 1458a_100011225043_200025704644 [1,1,0,0,0,0|2,0,0]=4 3956 B11R1.91 [13CH3]C(=O)COc1ccccc1 1458a_100000186222_200025704644 [1,1,0,0,0,0|2,0,0]=4 3957 B11R1.91 [13CH3]C(=O)CSc1ccccc1 1458a_100000211596_200025704644 [1,1,0,0,0,0|2,0,0]=4 3958 B11R1.20 CC(=Cc1ccc(cc1)Br)C 271570a_100102525489_100000752885 [1,1,0,0,0,0|0,0,2]=4 3959 B11R1.20 CC(=Cc1ccc(cc1)C)C 271570a_100102525489_100000186775 [1,1,0,0,0,0|0,0,2]=4 3960 B11R1.20 CC(=Cc1ccc(cc1)Cl)C 271570a_100102525489_100000755918 [1,1,0,0,0,0|0,0,2]=4 3961 B11R1.20 CC(=Cc1ccc(cc1)F)C 271570a_100102525489_100000211213 [1,1,0,0,0,0|0,0,2]=4 3962 B11R1.20 CC(=Cc1ccc(cc1)N)C 271570a_100102525489_100000185761 [1,1,0,0,0,0|0,0,2]=4 3963 B11R1.20 CC(=Cc1ccc(cc1)O)C 271570a_100102525489_100000185759 [1,1,0,0,0,0|0,0,2]=4 3964 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000070787_100000189115 [1,1,0,0,0,0|1,0,1]=4 3965 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000198978_200000210301 [1,1,0,0,0,0|1,0,1]=4 3966 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000070787_100000210814 [1,1,0,0,0,0|1,0,1]=4 3967 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000212244_200000210301 [1,1,0,0,0,0|1,0,1]=4 3968 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000070787_100000694040 [1,1,0,0,0,0|1,0,1]=4 3969 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200000210301 [1,1,0,0,0,0|1,0,1]=4 3970 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000070787_100000198546 [1,1,0,0,0,0|1,0,1]=4 3971 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000210951_200000210301 [1,1,0,0,0,0|1,0,1]=4 3972 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000070787_100000189116 [1,1,0,0,0,0|1,0,1]=4 3973 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000688869_200000210301 [1,1,0,0,0,0|1,0,1]=4 3974 B11R1.20 CC(=O)Cc1ccc(cc1)O 1458a_100000198540_200000210301 [1,1,0,0,0,0|1,0,1]=4 3975 B11R1.20 CC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000691760 [1,1,0,0,0,0|1,0,1]=4 3976 B11R1.20 CC(C)Cc1ccc(cc1)O 271570a_203496583355_100011221366 [1,1,0,0,0,0|0,0,0]=2 3977 B11R1.20 CC(C)Nc1ccc(cc1)Br 2230a_100000210018_100000210206 [1,1,0,0,0,0|1,0,0]=3 3978 B11R1.20 CC(C)Nc1ccc(cc1)Br 34a_100000210018_100000210206 [1,1,0,0,0,0|1,0,0]=3 3979 B11R1.20 CC(C)Nc1ccc(cc1)Cl 2230a_100000210052_100000210206 [1,1,0,0,0,0|1,0,0]=3 3980 B11R1.20 CC(C)Nc1ccc(cc1)Cl 34a_100000210052_100000210206 [1,1,0,0,0,0|1,0,0]=3 3981 B11R1.20 CC(C)Nc1ccc(cc1)F 34a_100000185862_100000210206 [1,1,0,0,0,0|1,0,0]=3 3982 B11R1.20 CC(C)Nc1ccc(cc1)I 34a_100000185761_100000210206 [1,1,0,0,0,0|1,0,0]=3 3983 B11R1.20 CC(C)Nc1ccc(cc1)O 271570a_203496583355_100000219625 [1,1,0,0,0,0|1,0,0]=3 3984 B11R1.20 CC(C)Nc1ccc(cc1)O 34a_100000185829_100000210206 [1,1,0,0,0,0|1,0,0]=3 3985 B11R1.20 CC(C)Nc1ccc(cn1)Br 27a_100138425928_100000686858 [1,1,0,0,0,0|2,0,0]=4 3986 B11R1.20 CC(C)Oc1ccc(=O)[nH]c1 34a_100000075641_100000210206 [1,1,0,0,0,0|2,0,0]=4 3987 B11R1.20 CC(C)Oc1ccc(cc1)Br 34a_100000185759_100000210206 [1,1,0,0,0,0|1,0,0]=3 3988 B11R1.20 CC(C)Oc1ccc(cc1)Br 7a_100000185759_100000210206 [1,1,0,0,0,0|1,0,0]=3 3989 B11R1.20 CC(C)Oc1ccc(cc1)Cl 34a_100000210216_100000210206 [1,1,0,0,0,0|1,0,0]=3 3990 B11R1.20 CC(C)Oc1ccc(cc1)Cl 7a_100000210216_100000210206 [1,1,0,0,0,0|1,0,0]=3 3991 B11R1.20 CC(C)Oc1ccc(cc1)F 34a_100000210339_100000210206 [1,1,0,0,0,0|1,0,0]=3 3992 B11R1.20 CC(C)Oc1ccc(cc1)I 34a_100000212066_100000210206 [1,1,0,0,0,0|1,0,0]=3 3993 B11R1.20 CC(C)Oc1ccc(cc1)I 7a_100000212066_100000210206 [1,1,0,0,0,0|1,0,0]=3 3994 B11R1.20 CC(C)Oc1ccc(cc1)N 34a_100000185829_100000210206 [1,1,0,0,0,0|1,0,0]=3 3995 B11R1.20 CC(C)Oc1ccc(cc1)O 271570a_203496583355_100000169947 [1,1,0,0,0,0|1,0,0]=3 3996 B11R1.20 CC(C)Oc1ccc(cn1)Cl 34a_100011215309_100000210206 [1,1,0,0,0,0|2,0,0]=4 3997 B11R1.20 CC(C)Oc1ccc(cn1)F 34a_100000742473_100000210206 [1,1,0,0,0,0|2,0,0]=4 3998 B11R1.20 CC(C)Oc1ccc(cn1)N 34a_100000729260_100000210206 [1,1,0,0,0,0|2,0,0]=4 3999 B11R1.20 CC(C)Oc1ccc(cn1)O 271570a_203496583355_100000688564 [1,1,0,0,0,0|2,0,0]=4 4000 B11R1.20 CC(C)Oc1ccc(nc1)Br 34a_100000685995_100000210206 [1,1,0,0,0,0|2,0,0]=4 4001 B11R1.20 CC(C)Oc1ccc(nc1)Br 7a_100000685995_100000210206 [1,1,0,0,0,0|2,0,0]=4 4002 B11R1.20 CC(C)Oc1ccc(nc1)Cl 34a_100000744096_100000210206 [1,1,0,0,0,0|2,0,0]=4 4003 B11R1.20 CC(C)Oc1ccc(nc1)Cl 7a_100000744096_100000210206 [1,1,0,0,0,0|2,0,0]=4 4004 B11R1.20 CC(C)Oc1ccc(nc1)F 34a_100000688820_100000210206 [1,1,0,0,0,0|2,0,0]=4 4005 B11R1.20 CC(C)Oc1ccc(nc1)F 7a_100000688820_100000210206 [1,1,0,0,0,0|2,0,0]=4 4006 B11R1.20 CC(C)Oc1ccc(nc1)I 34a_100000687607_100000210206 [1,1,0,0,0,0|2,0,0]=4 4007 B11R1.20 CC(C)Oc1ccc(nc1)I 7a_100000687607_100000210206 [1,1,0,0,0,0|2,0,0]=4 4008 B11R1.20 CC(C)Oc1ccc(nc1)N 34a_100015188713_100000210206 [1,1,0,0,0,0|2,0,0]=4 4009 B11R1.20 CC(C)Oc1ccc(nc1)N 7a_100015188713_100000210206 [1,1,0,0,0,0|2,0,0]=4 4010 B11R1.20 CC(C)Oc1ccc(nc1)O 271570a_203496583355_100012354243 [1,1,0,0,0,0|2,0,0]=4 4011 B11R1.20 CC(C)Sc1cc[n+](cc1)[O-] 62a_100000210206_100000039755 [1,1,0,0,0,0|2,0,0]=4 4012 B11R1.20 CC(C)Sc1ccc(=O)[nH]c1 62a_100000210206_100000212171 [1,1,0,0,0,0|2,0,0]=4 4013 B11R1.20 CC(C)Sc1ccc(=O)[nH]c1 62a_100000212171_100000210206 [1,1,0,0,0,0|2,0,0]=4 4014 B11R1.20 CC(C)Sc1ccc(cc1)Br 62a_100000210206_100000752885 [1,1,0,0,0,0|1,0,0]=3 4015 B11R1.20 CC(C)Sc1ccc(cc1)Br 62a_100000752885_100000210206 [1,1,0,0,0,0|1,0,0]=3 4016 B11R1.20 CC(C)Sc1ccc(cc1)Cl 62a_100000210206_100000755918 [1,1,0,0,0,0|1,0,0]=3 4017 B11R1.20 CC(C)Sc1ccc(cc1)Cl 62a_100000755918_100000210206 [1,1,0,0,0,0|1,0,0]=3 4018 B11R1.20 CC(C)Sc1ccc(cc1)F 62a_100000210206_100000211213 [1,1,0,0,0,0|1,0,0]=3 4019 B11R1.20 CC(C)Sc1ccc(cc1)F 62a_100000211213_100000210206 [1,1,0,0,0,0|1,0,0]=3 4020 B11R1.20 CC(C)Sc1ccc(cc1)N 62a_100000185761_100000210206 [1,1,0,0,0,0|1,0,0]=3 4021 B11R1.20 CC(C)Sc1ccc(cc1)N 62a_100000210206_100000185761 [1,1,0,0,0,0|1,0,0]=3 4022 B11R1.20 CC(C)Sc1ccc(cc1)O 271570a_203496583355_100009811894 [1,1,0,0,0,0|1,0,0]=3 4023 B11R1.20 CC(C)Sc1ccc(cc1)O 62a_100000210206_100000185759 [1,1,0,0,0,0|1,0,0]=3 4024 B11R1.20 CC(C)Sc1ccc(cn1)Br 62a_100000210206_100000686858 [1,1,0,0,0,0|2,0,0]=4 4025 B11R1.20 CC(C)Sc1ccc(cn1)Br 62a_100000686858_100000210206 [1,1,0,0,0,0|2,0,0]=4 4026 B11R1.20 CC(C)Sc1ccc(cn1)Cl 62a_100000210206_100011356976 [1,1,0,0,0,0|2,0,0]=4 4027 B11R1.20 CC(C)Sc1ccc(cn1)Cl 62a_100011356976_100000210206 [1,1,0,0,0,0|2,0,0]=4 4028 B11R1.20 CC(C)Sc1ccc(cn1)F 62a_100000210206_100000744514 [1,1,0,0,0,0|2,0,0]=4 4029 B11R1.20 CC(C)Sc1ccc(cn1)F 62a_100000744514_100000210206 [1,1,0,0,0,0|2,0,0]=4 4030 B11R1.20 CC(C)Sc1ccc(cn1)N 62a_100000210206_100000737798 [1,1,0,0,0,0|2,0,0]=4 4031 B11R1.20 CC(C)Sc1ccc(cn1)N 62a_100000737798_100000210206 [1,1,0,0,0,0|2,0,0]=4 4032 B11R1.20 CC(C)Sc1ccc(cn1)O 62a_100000210206_100000744096 [1,1,0,0,0,0|2,0,0]=4 4033 B11R1.20 CC(C)Sc1ccc(cn1)O 62a_100000685995_100000210206 [1,1,0,0,0,0|2,0,0]=4 4034 B11R1.20 CC(C)Sc1ccc(nc1)Br 62a_100000210206_100009814638 [1,1,0,0,0,0|2,0,0]=4 4035 B11R1.20 CC(C)Sc1ccc(nc1)Br 62a_100009814638_100000210206 [1,1,0,0,0,0|2,0,0]=4 4036 B11R1.20 CC(C)Sc1ccc(nc1)Cl 62a_100000034144_100000210206 [1,1,0,0,0,0|2,0,0]=4 4037 B11R1.20 CC(C)Sc1ccc(nc1)Cl 62a_100000210206_100000034144 [1,1,0,0,0,0|2,0,0]=4 4038 B11R1.20 CC(C)Sc1ccc(nc1)F 62a_100000042367_100000210206 [1,1,0,0,0,0|2,0,0]=4 4039 B11R1.20 CC(C)Sc1ccc(nc1)F 62a_100000210206_100000042367 [1,1,0,0,0,0|2,0,0]=4 4040 B11R1.20 CC(C)Sc1ccc(nc1)N 62a_100000187370_100000210206 [1,1,0,0,0,0|2,0,0]=4 4041 B11R1.20 CC(C)Sc1ccc(nc1)N 62a_100000210206_100000187370 [1,1,0,0,0,0|2,0,0]=4 4042 B11R1.20 CN(C)Cc1ccc(cc1)Br 2230a_100000180866_200000210301 [1,1,0,0,0,0|1,0,0]=3 4043 B11R1.20 CN(C)Cc1ccc(cc1)Br 2230a_100102631434_100011217064 [1,1,0,0,0,0|1,0,0]=3 4044 B11R1.20 CN(C)Cc1ccc(cc1)Br 269982a_100000180866_200000210301 [1,1,0,0,0,0|1,0,0]=3 4045 B11R1.20 CN(C)Cc1ccc(cc1)Br 269982a_100102631434_100011217064 [1,1,0,0,0,0|1,0,0]=3 4046 B11R1.20 CN(C)Cc1ccc(cc1)Br 270004a_100102631434_100000186029 [1,1,0,0,0,0|1,0,0]=3 4047 B11R1.20 CN(C)Cc1ccc(cc1)Cl 2230a_100000184517_200000210301 [1,1,0,0,0,0|1,0,0]=3 4048 B11R1.20 CN(C)Cc1ccc(cc1)Cl 2230a_100102631434_100000694040 [1,1,0,0,0,0|1,0,0]=3 4049 B11R1.20 CN(C)Cc1ccc(cc1)Cl 269982a_100000184517_200000210301 [1,1,0,0,0,0|1,0,0]=3 4050 B11R1.20 CN(C)Cc1ccc(cc1)Cl 269982a_100102631434_100000187161 [1,1,0,0,0,0|1,0,0]=3 4051 B11R1.20 CN(C)Cc1ccc(cc1)Cl 270004a_100102631434_100000189385 [1,1,0,0,0,0|1,0,0]=3 4052 B11R1.20 CN(C)Cc1ccc(cc1)Cl 34a_100000184517_200000210301 [1,1,0,0,0,0|1,0,0]=3 4053 B11R1.20 CN(C)Cc1ccc(cc1)F 2230a_100000184576_200000210301 [1,1,0,0,0,0|1,0,0]=3 4054 B11R1.20 CN(C)Cc1ccc(cc1)F 2230a_100102631434_100000198546 [1,1,0,0,0,0|1,0,0]=3 4055 B11R1.20 CN(C)Cc1ccc(cc1)F 269982a_100000184576_200000210301 [1,1,0,0,0,0|1,0,0]=3 4056 B11R1.20 CN(C)Cc1ccc(cc1)F 269982a_100102631434_100000198546 [1,1,0,0,0,0|1,0,0]=3 4057 B11R1.20 CN(C)Cc1ccc(cc1)F 270004a_100102631434_100000210084 [1,1,0,0,0,0|1,0,0]=3 4058 B11R1.20 CN(C)Cc1ccc(cc1)F 34a_100000184576_200000210301 [1,1,0,0,0,0|1,0,0]=3 4059 B11R1.20 CN(C)Cc1ccc(cc1)I 2230a_100102631434_100000189116 [1,1,0,0,0,0|1,0,0]=3 4060 B11R1.20 CN(C)Cc1ccc(cc1)I 269982a_100102631434_100000189116 [1,1,0,0,0,0|1,0,0]=3 4061 B11R1.20 CN(C)Cc1ccc(cc1)O 2230a_100000207500_200000210301 [1,1,0,0,0,0|1,0,0]=3 4062 B11R1.20 CN(C)Cc1ccc(cc1)O 269982a_100000207500_200000210301 [1,1,0,0,0,0|1,0,0]=3 4063 B11R1.20 CN(C)Cc1ccc(cc1)O 271570a_203496583355_100000174694 [1,1,0,0,0,0|1,0,0]=3 4064 B11R1.20 CN(C)Cc1ccc(cn1)Br 2230a_100102631434_100000702658 [1,1,0,0,0,0|2,0,0]=4 4065 B11R1.20 CN(C)Cc1ccc(cn1)Br 269982a_100102631434_100000702658 [1,1,0,0,0,0|2,0,0]=4 4066 B11R1.20 CN(C)Cc1ccc(cn1)Br 270004a_100102631434_100000754260 [1,1,0,0,0,0|2,0,0]=4 4067 B11R1.20 CN(C)Cc1ccc(cn1)Cl 2230a_100102631434_100012066911 [1,1,0,0,0,0|2,0,0]=4 4068 B11R1.20 CN(C)Cc1ccc(cn1)Cl 269982a_100102631434_100000697101 [1,1,0,0,0,0|2,0,0]=4 4069 B11R1.20 CN(C)Cc1ccc(cn1)Cl 270004a_100102631434_100011361569 [1,1,0,0,0,0|2,0,0]=4 4070 B11R1.20 CN(C)Cc1ccc(cn1)F 2230a_100102631434_100000703193 [1,1,0,0,0,0|2,0,0]=4 4071 B11R1.20 CN(C)Cc1ccc(cn1)F 269982a_100102631434_100000703193 [1,1,0,0,0,0|2,0,0]=4 4072 B11R1.20 CN(C)Cc1ccc(cn1)F 270004a_100102631434_100011934744 [1,1,0,0,0,0|2,0,0]=4 4073 B11R1.20 CN(C)Cc1ccc(nc1)Br 2230a_100102631434_100009831999 [1,1,0,0,0,0|2,0,0]=4 4074 B11R1.20 CN(C)Cc1ccc(nc1)Br 269982a_100102631434_100009831999 [1,1,0,0,0,0|2,0,0]=4 4075 B11R1.20 CN(C)Cc1ccc(nc1)Cl 2230a_100000026953_200000210301 [1,1,0,0,0,0|2,0,0]=4 4076 B11R1.20 CN(C)Cc1ccc(nc1)Cl 2230a_100102631434_100000735431 [1,1,0,0,0,0|2,0,0]=4 4077 B11R1.20 CN(C)Cc1ccc(nc1)Cl 269982a_100000026953_200000210301 [1,1,0,0,0,0|2,0,0]=4 4078 B11R1.20 CN(C)Cc1ccc(nc1)Cl 269982a_100102631434_100000735431 [1,1,0,0,0,0|2,0,0]=4 4079 B11R1.20 CN(C)Cc1ccc(nc1)Cl 34a_100000026953_200000210301 [1,1,0,0,0,0|2,0,0]=4 4080 B11R1.20 CN(C)Cc1ccc(nc1)F 2230a_100102631434_100009820150 [1,1,0,0,0,0|2,0,0]=4 4081 B11R1.20 CN(C)Cc1ccc(nc1)F 269982a_100102631434_100009820150 [1,1,0,0,0,0|2,0,0]=4 4082 B11R1.20 CN(C)Cc1ccc(nc1)O 271570a_203496583355_106446545466 [1,1,0,0,0,0|2,0,0]=4 4083 B11R1.20 CN([13CH3])Cc1ccc(cc1)Br 2230a_100000180866_200025704644 [1,1,0,0,0,0|1,0,0]=3 4084 B11R1.20 CN([13CH3])Cc1ccc(cc1)Br 269982a_100000180866_200025704644 [1,1,0,0,0,0|1,0,0]=3 4085 B11R1.20 CN([13CH3])Cc1ccc(cc1)Cl 2230a_100000184517_200025704644 [1,1,0,0,0,0|1,0,0]=3 4086 B11R1.20 CN([13CH3])Cc1ccc(cc1)Cl 269982a_100000184517_200025704644 [1,1,0,0,0,0|1,0,0]=3 4087 B11R1.20 CN([13CH3])Cc1ccc(cc1)Cl 34a_100000184517_200025704644 [1,1,0,0,0,0|1,0,0]=3 4088 B11R1.20 CN([13CH3])Cc1ccc(cc1)F 2230a_100000184576_200025704644 [1,1,0,0,0,0|1,0,0]=3 4089 B11R1.20 CN([13CH3])Cc1ccc(cc1)F 269982a_100000184576_200025704644 [1,1,0,0,0,0|1,0,0]=3 4090 B11R1.20 CN([13CH3])Cc1ccc(cc1)F 34a_100000184576_200025704644 [1,1,0,0,0,0|1,0,0]=3 4091 B11R1.20 CN([13CH3])Cc1ccc(cc1)O 2230a_100000207500_200025704644 [1,1,0,0,0,0|1,0,0]=3 4092 B11R1.20 CN([13CH3])Cc1ccc(cc1)O 269982a_100000207500_200025704644 [1,1,0,0,0,0|1,0,0]=3 4093 B11R1.20 CN([13CH3])Cc1ccc(nc1)Cl 2230a_100000026953_200025704644 [1,1,0,0,0,0|2,0,0]=4 4094 B11R1.20 CN([13CH3])Cc1ccc(nc1)Cl 269982a_100000026953_200025704644 [1,1,0,0,0,0|2,0,0]=4 4095 B11R1.20 CN([13CH3])Cc1ccc(nc1)Cl 34a_100000026953_200025704644 [1,1,0,0,0,0|2,0,0]=4 4096 B11R1.20 Cc1ccc(cc1)CC(=O)[13CH3] 1458a_100000212244_200025704644 [1,1,0,0,0,0|1,0,1]=4 4097 B11R1.20 Cc1ccc(cc1)CN(C)C 2230a_100000744650_200000210301 [1,1,0,0,0,0|1,0,0]=3 4098 B11R1.20 Cc1ccc(cc1)CN(C)C 2230a_100102631434_100000210814 [1,1,0,0,0,0|1,0,0]=3 4099 B11R1.20 Cc1ccc(cc1)CN(C)C 269982a_100000744650_200000210301 [1,1,0,0,0,0|1,0,0]=3 4100 B11R1.20 Cc1ccc(cc1)CN(C)C 269982a_100102631434_100000210814 [1,1,0,0,0,0|1,0,0]=3 4101 B11R1.20 Cc1ccc(cc1)CN(C)C 270004a_100102631434_100000211033 [1,1,0,0,0,0|1,0,0]=3 4102 B11R1.20 Cc1ccc(cc1)CN(C)C 34a_100000744650_200000210301 [1,1,0,0,0,0|1,0,0]=3 4103 B11R1.20 Cc1ccc(cc1)CN(C)[13CH3] 2230a_100000744650_200025704644 [1,1,0,0,0,0|1,0,0]=3 4104 B11R1.20 Cc1ccc(cc1)CN(C)[13CH3] 269982a_100000744650_200025704644 [1,1,0,0,0,0|1,0,0]=3 4105 B11R1.20 Cc1ccc(cc1)CN(C)[13CH3] 34a_100000744650_200025704644 [1,1,0,0,0,0|1,0,0]=3 4106 B11R1.20 Cc1ccc(cc1)NC(C)C 34a_100000124888_100000210206 [1,1,0,0,0,0|1,0,0]=3 4107 B11R1.20 Cc1ccc(cc1)OC(C)C 34a_100000210336_100000210206 [1,1,0,0,0,0|1,0,0]=3 4108 B11R1.20 Cc1ccc(cc1)OC(C)C 7a_100000210336_100000210206 [1,1,0,0,0,0|1,0,0]=3 4109 B11R1.20 Cc1ccc(cc1)SC(C)C 62a_100000186775_100000210206 [1,1,0,0,0,0|1,0,0]=3 4110 B11R1.20 Cc1ccc(cc1)SC(C)C 62a_100000210206_100000186775 [1,1,0,0,0,0|1,0,0]=3 4111 B11R1.20 Cc1ccc(cn1)CN(C)C 2230a_100102631434_100016987292 [1,1,0,0,0,0|2,0,0]=4 4112 B11R1.20 Cc1ccc(cn1)CN(C)C 2230a_106623407658_200000210301 [1,1,0,0,0,0|2,0,0]=4 4113 B11R1.20 Cc1ccc(cn1)CN(C)C 269982a_100102631434_100016987292 [1,1,0,0,0,0|2,0,0]=4 4114 B11R1.20 Cc1ccc(cn1)CN(C)C 269982a_106623407658_200000210301 [1,1,0,0,0,0|2,0,0]=4 4115 B11R1.20 Cc1ccc(cn1)CN(C)C 270004a_100102631434_100000743784 [1,1,0,0,0,0|2,0,0]=4 4116 B11R1.20 Cc1ccc(cn1)CN(C)C 34a_106623407658_200000210301 [1,1,0,0,0,0|2,0,0]=4 4117 B11R1.20 Cc1ccc(cn1)CN(C)[13CH3] 2230a_106623407658_200025704644 [1,1,0,0,0,0|2,0,0]=4 4118 B11R1.20 Cc1ccc(cn1)CN(C)[13CH3] 269982a_106623407658_200025704644 [1,1,0,0,0,0|2,0,0]=4 4119 B11R1.20 Cc1ccc(cn1)CN(C)[13CH3] 34a_106623407658_200025704644 [1,1,0,0,0,0|2,0,0]=4 4120 B11R1.20 Cc1ccc(cn1)OC(C)C 34a_100000745506_100000210206 [1,1,0,0,0,0|2,0,0]=4 4121 B11R1.20 Cc1ccc(cn1)OC(C)C 7a_100000745506_100000210206 [1,1,0,0,0,0|2,0,0]=4 4122 B11R1.20 Cc1ccc(cn1)SC(C)C 62a_100000210206_100000751577 [1,1,0,0,0,0|2,0,0]=4 4123 B11R1.20 Cc1ccc(cn1)SC(C)C 62a_100000751577_100000210206 [1,1,0,0,0,0|2,0,0]=4 4124 B11R1.20 Cc1ccc(nc1)CN(C)C 2230a_100102631434_100000691093 [1,1,0,0,0,0|2,0,0]=4 4125 B11R1.20 Cc1ccc(nc1)CN(C)C 2230a_200000717808_200000210301 [1,1,0,0,0,0|2,0,0]=4 4126 B11R1.20 Cc1ccc(nc1)CN(C)C 269982a_100102631434_100000691093 [1,1,0,0,0,0|2,0,0]=4 4127 B11R1.20 Cc1ccc(nc1)CN(C)C 269982a_200000717808_200000210301 [1,1,0,0,0,0|2,0,0]=4 4128 B11R1.20 Cc1ccc(nc1)CN(C)C 270004a_100102631434_100000050478 [1,1,0,0,0,0|2,0,0]=4 4129 B11R1.20 Cc1ccc(nc1)CN(C)[13CH3] 2230a_200000717808_200025704644 [1,1,0,0,0,0|2,0,0]=4 4130 B11R1.20 Cc1ccc(nc1)CN(C)[13CH3] 269982a_200000717808_200025704644 [1,1,0,0,0,0|2,0,0]=4 4131 B11R1.20 Cc1ccc(nc1)OC(C)C 34a_100000759353_100000210206 [1,1,0,0,0,0|2,0,0]=4 4132 B11R1.20 Cc1ccc(nc1)SC(C)C 62a_100000210206_100000754016 [1,1,0,0,0,0|2,0,0]=4 4133 B11R1.20 Cc1ccc(nc1)SC(C)C 62a_100011192072_100000210206 [1,1,0,0,0,0|2,0,0]=4 4134 B11R1.20 NC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000162331 [1,1,0,0,0,0|1,0,1]=4 4135 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Br 1458a_100000198978_200025704644 [1,1,0,0,0,0|1,0,1]=4 4136 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200025704644 [1,1,0,0,0,0|1,0,1]=4 4137 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)F 1458a_100000210951_200025704644 [1,1,0,0,0,0|1,0,1]=4 4138 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)I 1458a_100000688869_200025704644 [1,1,0,0,0,0|1,0,1]=4 4139 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)O 1458a_100000198540_200025704644 [1,1,0,0,0,0|1,0,1]=4 4140 B11R1.36 CC(=C(C)c1ccccc1)C 271570a_200000049429_100000210277 [1,1,0,0,0,0|0,0,2]=4 4141 B11R1.36 CC(=O)C(C)c1ccccc1 1458a_100000070787_100000230085 [1,1,0,0,0,0|1,0,1]=4 4142 B11R1.36 CC(=O)C(F)c1ccccc1 1458a_100000698975_200000210301 [1,1,0,0,0,0|1,0,1]=4 4143 B11R1.36 CC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_200000210301 [1,1,0,0,0,0|1,0,1]=4 4144 B11R1.36 CC(=O)[C@H](O)c1ccccc1 1458a_100000684486_200000210301 [1,1,0,0,0,0|1,0,1]=4 4145 B11R1.36 CC(C)C(=O)c1ccccc1 1458a_100000185807_100000210206 [1,1,0,0,0,0|0,0,1]=3 4146 B11R1.36 CC(C)N(C)c1ccccc1 2230a_100000210012_100000210206 [1,1,0,0,0,0|1,0,0]=3 4147 B11R1.36 CC(C)N(C)c1ccccc1 2230a_100000210572_200000210301 [1,1,0,0,0,0|1,0,0]=3 4148 B11R1.36 CC(C)N(C)c1ccccc1 269982a_100000210012_100000210206 [1,1,0,0,0,0|1,0,0]=3 4149 B11R1.36 CC(C)N(C)c1ccccc1 269982a_100000210572_200000210301 [1,1,0,0,0,0|1,0,0]=3 4150 B11R1.36 CC(C)N(C)c1ccccc1 34a_100000210012_100000210206 [1,1,0,0,0,0|1,0,0]=3 4151 B11R1.36 CC(C)N(C)c1ccccc1 34a_100000210572_200000210301 [1,1,0,0,0,0|1,0,0]=3 4152 B11R1.36 CC(C)N(C)c1ccccc1 7a_100000210572_200000210301 [1,1,0,0,0,0|1,0,0]=3 4153 B11R1.36 CC(C)N([13CH3])c1ccccc1 2230a_100000210572_200025704644 [1,1,0,0,0,0|1,0,0]=3 4154 B11R1.36 CC(C)N([13CH3])c1ccccc1 269982a_100000210572_200025704644 [1,1,0,0,0,0|1,0,0]=3 4155 B11R1.36 CC(C)N([13CH3])c1ccccc1 34a_100000210572_200025704644 [1,1,0,0,0,0|1,0,0]=3 4156 B11R1.36 CC(C)N([13CH3])c1ccccc1 7a_100000210572_200025704644 [1,1,0,0,0,0|1,0,0]=3 4157 B11R1.36 CC(c1ccccc1)N(C)C 2230a_100000195388_200000210301 [1,1,0,0,0,0|1,0,0]=3 4158 B11R1.36 CC(c1ccccc1)N(C)C 2230a_100102631434_100000230085 [1,1,0,0,0,0|1,0,0]=3 4159 B11R1.36 CC(c1ccccc1)N(C)C 269982a_100000195388_200000210301 [1,1,0,0,0,0|1,0,0]=3 4160 B11R1.36 CC(c1ccccc1)N(C)C 269982a_100102631434_100000230085 [1,1,0,0,0,0|1,0,0]=3 4161 B11R1.36 CC(c1ccccc1)N(C)[13CH3] 2230a_100000195388_200025704644 [1,1,0,0,0,0|1,0,0]=3 4162 B11R1.36 CC(c1ccccc1)N(C)[13CH3] 269982a_100000195388_200025704644 [1,1,0,0,0,0|1,0,0]=3 4163 B11R1.36 CC(c1ccccn1)N(C)C 2230a_100000231138_200000210301 [1,1,0,0,0,0|2,0,0]=4 4164 B11R1.36 CC(c1ccccn1)N(C)C 269982a_100000231138_200000210301 [1,1,0,0,0,0|2,0,0]=4 4165 B11R1.36 CC(c1ccccn1)N(C)[13CH3] 2230a_100000231138_200025704644 [1,1,0,0,0,0|2,0,0]=4 4166 B11R1.36 CC(c1ccccn1)N(C)[13CH3] 269982a_100000231138_200025704644 [1,1,0,0,0,0|2,0,0]=4 4167 B11R1.36 CC(c1cccnc1)N(C)C 2230a_100000232774_200000210301 [1,1,0,0,0,0|2,0,0]=4 4168 B11R1.36 CC(c1cccnc1)N(C)C 269982a_100000232774_200000210301 [1,1,0,0,0,0|2,0,0]=4 4169 B11R1.36 CC(c1cccnc1)N(C)[13CH3] 2230a_100000232774_200025704644 [1,1,0,0,0,0|2,0,0]=4 4170 B11R1.36 CC(c1cccnc1)N(C)[13CH3] 269982a_100000232774_200025704644 [1,1,0,0,0,0|2,0,0]=4 4171 B11R1.36 CC(c1ccncc1)N(C)C 2230a_100000231139_200000210301 [1,1,0,0,0,0|2,0,0]=4 4172 B11R1.36 CC(c1ccncc1)N(C)C 269982a_100000231139_200000210301 [1,1,0,0,0,0|2,0,0]=4 4173 B11R1.36 CC(c1ccncc1)N(C)[13CH3] 2230a_100000231139_200025704644 [1,1,0,0,0,0|2,0,0]=4 4174 B11R1.36 CC(c1ccncc1)N(C)[13CH3] 269982a_100000231139_200025704644 [1,1,0,0,0,0|2,0,0]=4 4175 B11R1.36 CN(C)C(=O)c1ccccc1 11a_100102631434_100000185807 [1,1,0,0,0,0|1,0,1]=4 4176 B11R1.36 CN(C)C(=O)c1ccccc1 1626a_100102631434_100000185807 [1,1,0,0,0,0|1,0,1]=4 4177 B11R1.36 CN(C)C(=O)c1ccccc1 240690a_100102631434_100000185807 [1,1,0,0,0,0|1,0,1]=4 4178 B11R1.36 CN(C)C(=O)c1ccccc1 527a_100102631434_100000185807 [1,1,0,0,0,0|1,0,1]=4 4179 B11R1.36 C[C@H](C(=O)[13CH3])c1ccccc1 1458a_100000751047_200025704644 [1,1,0,0,0,0|1,0,1]=4 4180 B11R1.36 [13CH3]C(=O)C(F)c1ccccc1 1458a_100000698975_200025704644 [1,1,0,0,0,0|1,0,1]=4 4181 B11R1.36 [13CH3]C(=O)[C@H](O)c1ccccc1 1458a_100000684486_200025704644 [1,1,0,0,0,0|1,0,1]=4 4182 B11R1.86 CC(=Cc1ccccc1Br)C 271570a_100102525489_100000695589 [1,1,0,0,0,0|0,0,2]=4 4183 B11R1.86 CC(=Cc1ccccc1C)C 271570a_100102525489_100000210755 [1,1,0,0,0,0|0,0,2]=4 4184 B11R1.86 CC(=Cc1ccccc1Cl)C 271570a_100102525489_100000764095 [1,1,0,0,0,0|0,0,2]=4 4185 B11R1.86 CC(=Cc1ccccc1F)C 271570a_100102525489_100011215700 [1,1,0,0,0,0|0,0,2]=4 4186 B11R1.86 CC(=Cc1ccccc1N)C 271570a_100102525489_100000210017 [1,1,0,0,0,0|0,0,2]=4 4187 B11R1.86 CC(=Cc1ccccc1O)C 271570a_100102525489_100000739446 [1,1,0,0,0,0|0,0,2]=4 4188 B11R1.86 CC(=O)Cc1ccccc1Br 1458a_100000070787_100000184730 [1,1,0,0,0,0|1,0,1]=4 4189 B11R1.86 CC(=O)Cc1ccccc1Br 1458a_100000751119_200000210301 [1,1,0,0,0,0|1,0,1]=4 4190 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000070787_100000211839 [1,1,0,0,0,0|1,0,1]=4 4191 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000212180_200000210301 [1,1,0,0,0,0|1,0,1]=4 4192 B11R1.86 CC(=O)Cc1ccccc1Cl 1458a_100000070787_100000187162 [1,1,0,0,0,0|1,0,1]=4 4193 B11R1.86 CC(=O)Cc1ccccc1Cl 1458a_100000183793_200000210301 [1,1,0,0,0,0|1,0,1]=4 4194 B11R1.86 CC(=O)Cc1ccccc1F 1458a_100000070787_100000187165 [1,1,0,0,0,0|1,0,1]=4 4195 B11R1.86 CC(=O)Cc1ccccc1F 1458a_100000212012_200000210301 [1,1,0,0,0,0|1,0,1]=4 4196 B11R1.86 CC(=O)Cc1ccccc1I 1458a_100000036491_200000210301 [1,1,0,0,0,0|1,0,1]=4 4197 B11R1.86 CC(=O)Cc1ccccc1I 1458a_100000070787_100011216222 [1,1,0,0,0,0|1,0,1]=4 4198 B11R1.86 CC(=O)Cc1ccccc1O 1458a_100000743006_200000210301 [1,1,0,0,0,0|1,0,1]=4 4199 B11R1.86 CC(=O)Cc1ccccc1O 271570a_203496583355_100011350739 [1,1,0,0,0,0|1,0,1]=4 4200 B11R1.86 CC(C)Nc1ccccc1Br 34a_100000210017_100000210206 [1,1,0,0,0,0|1,0,0]=3 4201 B11R1.86 CC(C)Nc1ccccc1Cl 34a_100000185783_100000210206 [1,1,0,0,0,0|1,0,0]=3 4202 B11R1.86 CC(C)Nc1ccccc1F 34a_100000210422_100000210206 [1,1,0,0,0,0|1,0,0]=3 4203 B11R1.86 CC(C)Nc1ccccc1I 34a_100000210053_100000210206 [1,1,0,0,0,0|1,0,0]=3 4204 B11R1.86 CC(C)Nc1ccccc1O 271570a_203496583355_100000219599 [1,1,0,0,0,0|1,0,0]=3 4205 B11R1.86 CC(C)Nc1ccccc1O 34a_100000185747_100000210206 [1,1,0,0,0,0|1,0,0]=3 4206 B11R1.86 CC(C)Nc1ccncc1Br 27a_100138425928_100000726257 [1,1,0,0,0,0|2,0,0]=4 4207 B11R1.86 CC(C)Nc1ccncc1F 27a_100138425928_100000035921 [1,1,0,0,0,0|2,0,0]=4 4208 B11R1.86 CC(C)Nc1ncccc1Br 27a_100138425928_100000696092 [1,1,0,0,0,0|2,0,0]=4 4209 B11R1.86 CC(C)Oc1cccc[n+]1[O-] 7a_100000211761_100000210206 [1,1,0,0,0,0|2,0,0]=4 4210 B11R1.86 CC(C)Oc1ccccc1Br 34a_100000181306_100000210206 [1,1,0,0,0,0|1,0,0]=3 4211 B11R1.86 CC(C)Oc1ccccc1Br 7a_100000181306_100000210206 [1,1,0,0,0,0|1,0,0]=3 4212 B11R1.86 CC(C)Oc1ccccc1Cl 34a_100000210172_100000210206 [1,1,0,0,0,0|1,0,0]=3 4213 B11R1.86 CC(C)Oc1ccccc1Cl 7a_100000210172_100000210206 [1,1,0,0,0,0|1,0,0]=3 4214 B11R1.86 CC(C)Oc1ccccc1F 34a_100000210171_100000210206 [1,1,0,0,0,0|1,0,0]=3 4215 B11R1.86 CC(C)Oc1ccccc1F 7a_100000210171_100000210206 [1,1,0,0,0,0|1,0,0]=3 4216 B11R1.86 CC(C)Oc1ccccc1I 34a_100000739446_100000210206 [1,1,0,0,0,0|1,0,0]=3 4217 B11R1.86 CC(C)Oc1ccccc1I 7a_100000739446_100000210206 [1,1,0,0,0,0|1,0,0]=3 4218 B11R1.86 CC(C)Oc1ccccc1N 34a_100000185747_100000210206 [1,1,0,0,0,0|1,0,0]=3 4219 B11R1.86 CC(C)Oc1ccccc1N 7a_100000185747_100000210206 [1,1,0,0,0,0|1,0,0]=3 4220 B11R1.86 CC(C)Oc1ccccc1O 271570a_203496583355_100000173919 [1,1,0,0,0,0|1,0,0]=3 4221 B11R1.86 CC(C)Oc1cccnc1Br 34a_100000744436_100000210206 [1,1,0,0,0,0|2,0,0]=4 4222 B11R1.86 CC(C)Oc1cccnc1Br 7a_100000744436_100000210206 [1,1,0,0,0,0|2,0,0]=4 4223 B11R1.86 CC(C)Oc1cccnc1Cl 34a_100000757616_100000210206 [1,1,0,0,0,0|2,0,0]=4 4224 B11R1.86 CC(C)Oc1cccnc1Cl 7a_100000757616_100000210206 [1,1,0,0,0,0|2,0,0]=4 4225 B11R1.86 CC(C)Oc1cccnc1F 34a_100000061740_100000210206 [1,1,0,0,0,0|2,0,0]=4 4226 B11R1.86 CC(C)Oc1cccnc1F 7a_100000061740_100000210206 [1,1,0,0,0,0|2,0,0]=4 4227 B11R1.86 CC(C)Oc1cccnc1I 34a_100000034122_100000210206 [1,1,0,0,0,0|2,0,0]=4 4228 B11R1.86 CC(C)Oc1cccnc1I 7a_100000034122_100000210206 [1,1,0,0,0,0|2,0,0]=4 4229 B11R1.86 CC(C)Oc1cccnc1N 34a_100000211975_100000210206 [1,1,0,0,0,0|2,0,0]=4 4230 B11R1.86 CC(C)Oc1cccnc1N 7a_100000211975_100000210206 [1,1,0,0,0,0|2,0,0]=4 4231 B11R1.86 CC(C)Oc1cccoc1=O 34a_100000077404_100000210206 [1,1,0,0,0,0|2,0,0]=4 4232 B11R1.86 CC(C)Oc1cccoc1=O 7a_100000077404_100000210206 [1,1,0,0,0,0|2,0,0]=4 4233 B11R1.86 CC(C)Oc1ccncc1Br 34a_100011996408_100000210206 [1,1,0,0,0,0|2,0,0]=4 4234 B11R1.86 CC(C)Oc1ccncc1Cl 34a_100011997054_100000210206 [1,1,0,0,0,0|2,0,0]=4 4235 B11R1.86 CC(C)Oc1ccncc1F 34a_200000081243_100000210206 [1,1,0,0,0,0|2,0,0]=4 4236 B11R1.86 CC(C)Oc1cnccc1Cl 34a_100011996695_100000210206 [1,1,0,0,0,0|2,0,0]=4 4237 B11R1.86 CC(C)Oc1cnccc1I 34a_100000050107_100000210206 [1,1,0,0,0,0|2,0,0]=4 4238 B11R1.86 CC(C)Oc1cnccc1N 34a_100000753702_100000210206 [1,1,0,0,0,0|2,0,0]=4 4239 B11R1.86 CC(C)Oc1coccc1=O 34a_100000060831_100000210206 [1,1,0,0,0,0|2,0,0]=4 4240 B11R1.86 CC(C)Oc1ncccc1Cl 34a_100011290957_100000210206 [1,1,0,0,0,0|2,0,0]=4 4241 B11R1.86 CC(C)Oc1ncccc1F 34a_100011219419_100000210206 [1,1,0,0,0,0|2,0,0]=4 4242 B11R1.86 CC(C)Oc1ncccc1N 34a_100000746358_100000210206 [1,1,0,0,0,0|2,0,0]=4 4243 B11R1.86 CC(C)Oc1ncccc1O 271570a_203496583355_200011465186 [1,1,0,0,0,0|2,0,0]=4 4244 B11R1.86 CC(C)Sc1c[nH]ccc1=O 62a_100000210206_100009998708 [1,1,0,0,0,0|2,0,0]=4 4245 B11R1.86 CC(C)Sc1c[nH]ccc1=O 62a_100009998708_100000210206 [1,1,0,0,0,0|2,0,0]=4 4246 B11R1.86 CC(C)Sc1c[nH]ccc1=S 62a_100000210206_200012280681 [1,1,0,0,0,0|2,0,0]=4 4247 B11R1.86 CC(C)Sc1c[nH]ccc1=S 62a_200012280681_100000210206 [1,1,0,0,0,0|2,0,0]=4 4248 B11R1.86 CC(C)Sc1cccc[n+]1C 62a_100000210206_100000212160 [1,1,0,0,0,0|2,0,0]=4 4249 B11R1.86 CC(C)Sc1cccc[n+]1[O-] 62a_100000210206_200000042595 [1,1,0,0,0,0|2,0,0]=4 4250 B11R1.86 CC(C)Sc1ccccc1Br 62a_100000210206_100000695589 [1,1,0,0,0,0|1,0,0]=3 4251 B11R1.86 CC(C)Sc1ccccc1Br 62a_100000695589_100000210206 [1,1,0,0,0,0|1,0,0]=3 4252 B11R1.86 CC(C)Sc1ccccc1Cl 62a_100000210206_100000764095 [1,1,0,0,0,0|1,0,0]=3 4253 B11R1.86 CC(C)Sc1ccccc1Cl 62a_100000764095_100000210206 [1,1,0,0,0,0|1,0,0]=3 4254 B11R1.86 CC(C)Sc1ccccc1F 62a_100000210206_100011215700 [1,1,0,0,0,0|1,0,0]=3 4255 B11R1.86 CC(C)Sc1ccccc1F 62a_100011215700_100000210206 [1,1,0,0,0,0|1,0,0]=3 4256 B11R1.86 CC(C)Sc1ccccc1N 62a_100000210017_100000210206 [1,1,0,0,0,0|1,0,0]=3 4257 B11R1.86 CC(C)Sc1ccccc1N 62a_100000210206_100000210017 [1,1,0,0,0,0|1,0,0]=3 4258 B11R1.86 CC(C)Sc1ccccc1O 62a_100000210206_100000739446 [1,1,0,0,0,0|1,0,0]=3 4259 B11R1.86 CC(C)Sc1ccccc1O 62a_100000739446_100000210206 [1,1,0,0,0,0|1,0,0]=3 4260 B11R1.86 CC(C)Sc1cccnc1Br 62a_100000210206_100010202626 [1,1,0,0,0,0|2,0,0]=4 4261 B11R1.86 CC(C)Sc1cccnc1Br 62a_100010202626_100000210206 [1,1,0,0,0,0|2,0,0]=4 4262 B11R1.86 CC(C)Sc1cccnc1Cl 62a_100000036424_100000210206 [1,1,0,0,0,0|2,0,0]=4 4263 B11R1.86 CC(C)Sc1cccnc1Cl 62a_100000210206_100000036424 [1,1,0,0,0,0|2,0,0]=4 4264 B11R1.86 CC(C)Sc1cccnc1F 62a_100000210206_100009816115 [1,1,0,0,0,0|2,0,0]=4 4265 B11R1.86 CC(C)Sc1cccnc1F 62a_100009816115_100000210206 [1,1,0,0,0,0|2,0,0]=4 4266 B11R1.86 CC(C)Sc1cccnc1N 62a_100000045569_100000210206 [1,1,0,0,0,0|2,0,0]=4 4267 B11R1.86 CC(C)Sc1cccnc1N 62a_100000210206_100000045569 [1,1,0,0,0,0|2,0,0]=4 4268 B11R1.86 CC(C)Sc1cccnc1O 62a_100000210206_100000760158 [1,1,0,0,0,0|2,0,0]=4 4269 B11R1.86 CC(C)Sc1cccnc1O 62a_100000760158_100000210206 [1,1,0,0,0,0|2,0,0]=4 4270 B11R1.86 CC(C)Sc1ccncc1Br 62a_100000210206_100000726257 [1,1,0,0,0,0|2,0,0]=4 4271 B11R1.86 CC(C)Sc1ccncc1Br 62a_100000726257_100000210206 [1,1,0,0,0,0|2,0,0]=4 4272 B11R1.86 CC(C)Sc1ccncc1Cl 62a_100000210206_100000708259 [1,1,0,0,0,0|2,0,0]=4 4273 B11R1.86 CC(C)Sc1ccncc1Cl 62a_100000708259_100000210206 [1,1,0,0,0,0|2,0,0]=4 4274 B11R1.86 CC(C)Sc1ccncc1F 62a_100000047030_100000210206 [1,1,0,0,0,0|2,0,0]=4 4275 B11R1.86 CC(C)Sc1ccncc1F 62a_100000210206_100000047030 [1,1,0,0,0,0|2,0,0]=4 4276 B11R1.86 CC(C)Sc1ccncc1N 62a_100000210206_100000756074 [1,1,0,0,0,0|2,0,0]=4 4277 B11R1.86 CC(C)Sc1ccncc1N 62a_100000756074_100000210206 [1,1,0,0,0,0|2,0,0]=4 4278 B11R1.86 CC(C)Sc1ccncc1O 62a_100000210206_100009817591 [1,1,0,0,0,0|2,0,0]=4 4279 B11R1.86 CC(C)Sc1ccncc1O 62a_100009817591_100000210206 [1,1,0,0,0,0|2,0,0]=4 4280 B11R1.86 CC(C)Sc1cnccc1Br 62a_100000210206_100010138639 [1,1,0,0,0,0|2,0,0]=4 4281 B11R1.86 CC(C)Sc1cnccc1Br 62a_100010138639_100000210206 [1,1,0,0,0,0|2,0,0]=4 4282 B11R1.86 CC(C)Sc1cnccc1Cl 62a_100000210206_100009995489 [1,1,0,0,0,0|2,0,0]=4 4283 B11R1.86 CC(C)Sc1cnccc1Cl 62a_100009995489_100000210206 [1,1,0,0,0,0|2,0,0]=4 4284 B11R1.86 CC(C)Sc1cnccc1F 62a_100000210206_100009820683 [1,1,0,0,0,0|2,0,0]=4 4285 B11R1.86 CC(C)Sc1cnccc1F 62a_100009820683_100000210206 [1,1,0,0,0,0|2,0,0]=4 4286 B11R1.86 CC(C)Sc1cnccc1N 62a_100000047001_100000210206 [1,1,0,0,0,0|2,0,0]=4 4287 B11R1.86 CC(C)Sc1cnccc1N 62a_100000210206_100000047001 [1,1,0,0,0,0|2,0,0]=4 4288 B11R1.86 CC(C)Sc1ncccc1Br 62a_100000210206_100000696092 [1,1,0,0,0,0|2,0,0]=4 4289 B11R1.86 CC(C)Sc1ncccc1Br 62a_100000696092_100000210206 [1,1,0,0,0,0|2,0,0]=4 4290 B11R1.86 CC(C)Sc1ncccc1Cl 62a_100000210206_100011356963 [1,1,0,0,0,0|2,0,0]=4 4291 B11R1.86 CC(C)Sc1ncccc1Cl 62a_100011356963_100000210206 [1,1,0,0,0,0|2,0,0]=4 4292 B11R1.86 CC(C)Sc1ncccc1F 62a_100000210206_100000685392 [1,1,0,0,0,0|2,0,0]=4 4293 B11R1.86 CC(C)Sc1ncccc1F 62a_100000685392_100000210206 [1,1,0,0,0,0|2,0,0]=4 4294 B11R1.86 CC(C)Sc1ncccc1N 62a_100000210206_100000688686 [1,1,0,0,0,0|2,0,0]=4 4295 B11R1.86 CC(C)Sc1ncccc1N 62a_100000688686_100000210206 [1,1,0,0,0,0|2,0,0]=4 4296 B11R1.86 CC(C)Sc1ncccc1O 62a_100000034122_100000210206 [1,1,0,0,0,0|2,0,0]=4 4297 B11R1.86 CC(C)Sc1ncccc1O 62a_100000210206_100000034122 [1,1,0,0,0,0|2,0,0]=4 4298 B11R1.86 CN(C)Cc1ccccc1Br 2230a_100000184654_200000210301 [1,1,0,0,0,0|1,0,0]=3 4299 B11R1.86 CN(C)Cc1ccccc1Br 2230a_100102631434_100000184730 [1,1,0,0,0,0|1,0,0]=3 4300 B11R1.86 CN(C)Cc1ccccc1Br 269982a_100000184654_200000210301 [1,1,0,0,0,0|1,0,0]=3 4301 B11R1.86 CN(C)Cc1ccccc1Br 269982a_100102631434_100000184730 [1,1,0,0,0,0|1,0,0]=3 4302 B11R1.86 CN(C)Cc1ccccc1Br 270004a_100102631434_100000211189 [1,1,0,0,0,0|1,0,0]=3 4303 B11R1.86 CN(C)Cc1ccccc1Cl 2230a_100000184507_200000210301 [1,1,0,0,0,0|1,0,0]=3 4304 B11R1.86 CN(C)Cc1ccccc1Cl 2230a_100102631434_100000187162 [1,1,0,0,0,0|1,0,0]=3 4305 B11R1.86 CN(C)Cc1ccccc1Cl 269982a_100000184507_200000210301 [1,1,0,0,0,0|1,0,0]=3 4306 B11R1.86 CN(C)Cc1ccccc1Cl 269982a_100102631434_100000187162 [1,1,0,0,0,0|1,0,0]=3 4307 B11R1.86 CN(C)Cc1ccccc1Cl 270004a_100102631434_100000210073 [1,1,0,0,0,0|1,0,0]=3 4308 B11R1.86 CN(C)Cc1ccccc1F 2230a_100000742528_200000210301 [1,1,0,0,0,0|1,0,0]=3 4309 B11R1.86 CN(C)Cc1ccccc1F 2230a_100102631434_100000211605 [1,1,0,0,0,0|1,0,0]=3 4310 B11R1.86 CN(C)Cc1ccccc1F 269982a_100000742528_200000210301 [1,1,0,0,0,0|1,0,0]=3 4311 B11R1.86 CN(C)Cc1ccccc1F 269982a_100102631434_100000211605 [1,1,0,0,0,0|1,0,0]=3 4312 B11R1.86 CN(C)Cc1ccccc1F 270004a_100102631434_100000210811 [1,1,0,0,0,0|1,0,0]=3 4313 B11R1.86 CN(C)Cc1ccccc1F 34a_100000742528_200000210301 [1,1,0,0,0,0|1,0,0]=3 4314 B11R1.86 CN(C)Cc1ccccc1I 2230a_100102631434_100011215278 [1,1,0,0,0,0|1,0,0]=3 4315 B11R1.86 CN(C)Cc1ccccc1I 269982a_100102631434_100011215278 [1,1,0,0,0,0|1,0,0]=3 4316 B11R1.86 CN(C)Cc1ccccc1I 270004a_100102631434_100000010305 [1,1,0,0,0,0|1,0,0]=3 4317 B11R1.86 CN(C)Cc1ccccc1O 2230a_100015189988_200000210301 [1,1,0,0,0,0|1,0,0]=3 4318 B11R1.86 CN(C)Cc1ccccc1O 269982a_100015189988_200000210301 [1,1,0,0,0,0|1,0,0]=3 4319 B11R1.86 CN(C)Cc1ccccc1O 271570a_203496583355_100000174758 [1,1,0,0,0,0|1,0,0]=3 4320 B11R1.86 CN(C)Cc1cccnc1Br 2230a_100102631434_100010140945 [1,1,0,0,0,0|2,0,0]=4 4321 B11R1.86 CN(C)Cc1cccnc1Br 269982a_100102631434_100010140945 [1,1,0,0,0,0|2,0,0]=4 4322 B11R1.86 CN(C)Cc1cccnc1Cl 2230a_100102631434_100000045678 [1,1,0,0,0,0|2,0,0]=4 4323 B11R1.86 CN(C)Cc1cccnc1Cl 2230a_103496529121_200000210301 [1,1,0,0,0,0|2,0,0]=4 4324 B11R1.86 CN(C)Cc1cccnc1Cl 269982a_100102631434_100000045678 [1,1,0,0,0,0|2,0,0]=4 4325 B11R1.86 CN(C)Cc1cccnc1Cl 269982a_103496529121_200000210301 [1,1,0,0,0,0|2,0,0]=4 4326 B11R1.86 CN(C)Cc1cccnc1F 2230a_100102631434_100000099810 [1,1,0,0,0,0|2,0,0]=4 4327 B11R1.86 CN(C)Cc1cccnc1F 269982a_100102631434_100000099810 [1,1,0,0,0,0|2,0,0]=4 4328 B11R1.86 CN(C)Cc1cccnc1O 270004a_100102631434_100011998315 [1,1,0,0,0,0|2,0,0]=4 4329 B11R1.86 CN(C)Cc1ccncc1Br 270004a_100102631434_100000755692 [1,1,0,0,0,0|2,0,0]=4 4330 B11R1.86 CN(C)Cc1ccncc1Cl 2230a_100102631434_100000763264 [1,1,0,0,0,0|2,0,0]=4 4331 B11R1.86 CN(C)Cc1ccncc1Cl 269982a_100102631434_100000763264 [1,1,0,0,0,0|2,0,0]=4 4332 B11R1.86 CN(C)Cc1ccncc1Cl 270004a_100102631434_100011934409 [1,1,0,0,0,0|2,0,0]=4 4333 B11R1.86 CN(C)Cc1cnccc1Br 270004a_100102631434_100009816821 [1,1,0,0,0,0|2,0,0]=4 4334 B11R1.86 CN(C)Cc1cnccc1Cl 270004a_100102631434_100000050567 [1,1,0,0,0,0|2,0,0]=4 4335 B11R1.86 CN(C)Cc1ncccc1Br 2230a_100102631434_100025702911 [1,1,0,0,0,0|2,0,0]=4 4336 B11R1.86 CN(C)Cc1ncccc1Br 270004a_100102631434_100011934733 [1,1,0,0,0,0|2,0,0]=4 4337 B11R1.86 CN(C)Cc1ncccc1Cl 2230a_100102631434_100000099807 [1,1,0,0,0,0|2,0,0]=4 4338 B11R1.86 CN(C)Cc1ncccc1Cl 269982a_100102631434_100000099807 [1,1,0,0,0,0|2,0,0]=4 4339 B11R1.86 CN(C)Cc1ncccc1Cl 270004a_100102631434_100012001307 [1,1,0,0,0,0|2,0,0]=4 4340 B11R1.86 CN(C)Cc1ncccc1F 2230a_100102631434_100000104219 [1,1,0,0,0,0|2,0,0]=4 4341 B11R1.86 CN(C)Cc1ncccc1F 269982a_100102631434_100000104219 [1,1,0,0,0,0|2,0,0]=4 4342 B11R1.86 CN(C)Cc1ncccc1F 270004a_100102631434_100011934734 [1,1,0,0,0,0|2,0,0]=4 4343 B11R1.86 CN([13CH3])Cc1ccccc1Br 2230a_100000184654_200025704644 [1,1,0,0,0,0|1,0,0]=3 4344 B11R1.86 CN([13CH3])Cc1ccccc1Br 269982a_100000184654_200025704644 [1,1,0,0,0,0|1,0,0]=3 4345 B11R1.86 CN([13CH3])Cc1ccccc1Cl 2230a_100000184507_200025704644 [1,1,0,0,0,0|1,0,0]=3 4346 B11R1.86 CN([13CH3])Cc1ccccc1Cl 269982a_100000184507_200025704644 [1,1,0,0,0,0|1,0,0]=3 4347 B11R1.86 CN([13CH3])Cc1ccccc1F 2230a_100000742528_200025704644 [1,1,0,0,0,0|1,0,0]=3 4348 B11R1.86 CN([13CH3])Cc1ccccc1F 269982a_100000742528_200025704644 [1,1,0,0,0,0|1,0,0]=3 4349 B11R1.86 CN([13CH3])Cc1ccccc1F 34a_100000742528_200025704644 [1,1,0,0,0,0|1,0,0]=3 4350 B11R1.86 CN([13CH3])Cc1ccccc1O 2230a_100015189988_200025704644 [1,1,0,0,0,0|1,0,0]=3 4351 B11R1.86 CN([13CH3])Cc1ccccc1O 269982a_100015189988_200025704644 [1,1,0,0,0,0|1,0,0]=3 4352 B11R1.86 CN([13CH3])Cc1cccnc1Cl 2230a_103496529121_200025704644 [1,1,0,0,0,0|2,0,0]=4 4353 B11R1.86 CN([13CH3])Cc1cccnc1Cl 269982a_103496529121_200025704644 [1,1,0,0,0,0|2,0,0]=4 4354 B11R1.86 Cc1ccccc1CC(=O)[13CH3] 1458a_100000212180_200025704644 [1,1,0,0,0,0|1,0,1]=4 4355 B11R1.86 Cc1ccccc1CN(C)C 2230a_100000184421_200000210301 [1,1,0,0,0,0|1,0,0]=3 4356 B11R1.86 Cc1ccccc1CN(C)C 2230a_100102631434_100000211839 [1,1,0,0,0,0|1,0,0]=3 4357 B11R1.86 Cc1ccccc1CN(C)C 269982a_100000184421_200000210301 [1,1,0,0,0,0|1,0,0]=3 4358 B11R1.86 Cc1ccccc1CN(C)C 269982a_100102631434_100000211839 [1,1,0,0,0,0|1,0,0]=3 4359 B11R1.86 Cc1ccccc1CN(C)C 270004a_100102631434_100000211143 [1,1,0,0,0,0|1,0,0]=3 4360 B11R1.86 Cc1ccccc1CN(C)[13CH3] 2230a_100000184421_200025704644 [1,1,0,0,0,0|1,0,0]=3 4361 B11R1.86 Cc1ccccc1CN(C)[13CH3] 269982a_100000184421_200025704644 [1,1,0,0,0,0|1,0,0]=3 4362 B11R1.86 Cc1ccccc1NC(C)C 34a_100015192222_100000210206 [1,1,0,0,0,0|1,0,0]=3 4363 B11R1.86 Cc1ccccc1OC(C)C 34a_100000210338_100000210206 [1,1,0,0,0,0|1,0,0]=3 4364 B11R1.86 Cc1ccccc1OC(C)C 7a_100000210338_100000210206 [1,1,0,0,0,0|1,0,0]=3 4365 B11R1.86 Cc1ccccc1SC(C)C 62a_100000210206_100000210755 [1,1,0,0,0,0|1,0,0]=3 4366 B11R1.86 Cc1ccccc1SC(C)C 62a_100000210755_100000210206 [1,1,0,0,0,0|1,0,0]=3 4367 B11R1.86 Cc1cccnc1CN(C)C 2230a_100102631434_100000696600 [1,1,0,0,0,0|2,0,0]=4 4368 B11R1.86 Cc1cccnc1CN(C)C 269982a_100102631434_100000696600 [1,1,0,0,0,0|2,0,0]=4 4369 B11R1.86 Cc1cccnc1CN(C)C 270004a_100102631434_100000698913 [1,1,0,0,0,0|2,0,0]=4 4370 B11R1.86 Cc1cccnc1SC(C)C 62a_100000210206_100000751373 [1,1,0,0,0,0|2,0,0]=4 4371 B11R1.86 Cc1cccnc1SC(C)C 62a_100000751373_100000210206 [1,1,0,0,0,0|2,0,0]=4 4372 B11R1.86 Cc1ccncc1CN(C)C 2230a_100102631434_100000690890 [1,1,0,0,0,0|2,0,0]=4 4373 B11R1.86 Cc1ccncc1CN(C)C 269982a_100102631434_100000690890 [1,1,0,0,0,0|2,0,0]=4 4374 B11R1.86 Cc1ccncc1CN(C)C 270004a_100102631434_100000685662 [1,1,0,0,0,0|2,0,0]=4 4375 B11R1.86 Cc1ccncc1OC(C)C 34a_100011997053_100000210206 [1,1,0,0,0,0|2,0,0]=4 4376 B11R1.86 Cc1ccncc1OC(C)C 7a_100011997053_100000210206 [1,1,0,0,0,0|2,0,0]=4 4377 B11R1.86 Cc1ccncc1SC(C)C 62a_100000210206_100000761580 [1,1,0,0,0,0|2,0,0]=4 4378 B11R1.86 Cc1ccncc1SC(C)C 62a_100000761580_100000210206 [1,1,0,0,0,0|2,0,0]=4 4379 B11R1.86 Cc1cnccc1CN(C)C 2230a_100015187836_200000210301 [1,1,0,0,0,0|2,0,0]=4 4380 B11R1.86 Cc1cnccc1CN(C)C 2230a_100102631434_100020672808 [1,1,0,0,0,0|2,0,0]=4 4381 B11R1.86 Cc1cnccc1CN(C)C 269982a_100015187836_200000210301 [1,1,0,0,0,0|2,0,0]=4 4382 B11R1.86 Cc1cnccc1CN(C)C 269982a_100102631434_100020672808 [1,1,0,0,0,0|2,0,0]=4 4383 B11R1.86 Cc1cnccc1CN(C)[13CH3] 2230a_100015187836_200025704644 [1,1,0,0,0,0|2,0,0]=4 4384 B11R1.86 Cc1cnccc1CN(C)[13CH3] 269982a_100015187836_200025704644 [1,1,0,0,0,0|2,0,0]=4 4385 B11R1.86 Cc1cnccc1NC(C)C 27a_100138425928_100000765111 [1,1,0,0,0,0|2,0,0]=4 4386 B11R1.86 Cc1cnccc1OC(C)C 34a_100000694293_100000210206 [1,1,0,0,0,0|2,0,0]=4 4387 B11R1.86 Cc1cnccc1SC(C)C 62a_100000210206_100000765111 [1,1,0,0,0,0|2,0,0]=4 4388 B11R1.86 Cc1cnccc1SC(C)C 62a_100000765111_100000210206 [1,1,0,0,0,0|2,0,0]=4 4389 B11R1.86 Cc1ncccc1CN(C)C 2230a_100102631434_100000732876 [1,1,0,0,0,0|2,0,0]=4 4390 B11R1.86 Cc1ncccc1CN(C)C 2230a_200011875998_200000210301 [1,1,0,0,0,0|2,0,0]=4 4391 B11R1.86 Cc1ncccc1CN(C)C 269982a_100102631434_100000732876 [1,1,0,0,0,0|2,0,0]=4 4392 B11R1.86 Cc1ncccc1CN(C)C 269982a_200011875998_200000210301 [1,1,0,0,0,0|2,0,0]=4 4393 B11R1.86 Cc1ncccc1CN(C)C 270004a_100102631434_100000751968 [1,1,0,0,0,0|2,0,0]=4 4394 B11R1.86 Cc1ncccc1CN(C)[13CH3] 2230a_200011875998_200025704644 [1,1,0,0,0,0|2,0,0]=4 4395 B11R1.86 Cc1ncccc1CN(C)[13CH3] 269982a_200011875998_200025704644 [1,1,0,0,0,0|2,0,0]=4 4396 B11R1.86 Cc1ncccc1OC(C)C 34a_100000745507_100000210206 [1,1,0,0,0,0|2,0,0]=4 4397 B11R1.86 Cc1ncccc1OC(C)C 7a_100000745507_100000210206 [1,1,0,0,0,0|2,0,0]=4 4398 B11R1.86 Cc1ncccc1SC(C)C 62a_100000210206_100000751574 [1,1,0,0,0,0|2,0,0]=4 4399 B11R1.86 Cc1ncccc1SC(C)C 62a_100000751574_100000210206 [1,1,0,0,0,0|2,0,0]=4 4400 B11R1.86 NC(=O)Cc1ccccc1O 271570a_203496583355_200009814924 [1,1,0,0,0,0|1,0,1]=4 4401 B11R1.86 [13CH3]C(=O)Cc1ccccc1Br 1458a_100000751119_200025704644 [1,1,0,0,0,0|1,0,1]=4 4402 B11R1.86 [13CH3]C(=O)Cc1ccccc1Cl 1458a_100000183793_200025704644 [1,1,0,0,0,0|1,0,1]=4 4403 B11R1.86 [13CH3]C(=O)Cc1ccccc1F 1458a_100000212012_200025704644 [1,1,0,0,0,0|1,0,1]=4 4404 B11R1.86 [13CH3]C(=O)Cc1ccccc1I 1458a_100000036491_200025704644 [1,1,0,0,0,0|1,0,1]=4 4405 B11R1.86 [13CH3]C(=O)Cc1ccccc1O 1458a_100000743006_200025704644 [1,1,0,0,0,0|1,0,1]=4 4406 B11R1.157 CC(=Cc1cccc(c1)Br)C 271570a_100102525489_100000691529 [1,1,0,0,0,0|0,0,2]=4 4407 B11R1.157 CC(=Cc1cccc(c1)C)C 271570a_100102525489_100011215228 [1,1,0,0,0,0|0,0,2]=4 4408 B11R1.157 CC(=Cc1cccc(c1)Cl)C 271570a_100102525489_100000699651 [1,1,0,0,0,0|0,0,2]=4 4409 B11R1.157 CC(=Cc1cccc(c1)F)C 271570a_100102525489_100000685547 [1,1,0,0,0,0|0,0,2]=4 4410 B11R1.157 CC(=Cc1cccc(c1)N)C 271570a_100102525489_100000210019 [1,1,0,0,0,0|0,0,2]=4 4411 B11R1.157 CC(=Cc1cccc(c1)O)C 271570a_100102525489_100000211634 [1,1,0,0,0,0|0,0,2]=4 4412 B11R1.157 CC(=Cc1cccc(c1)[S])C 271570a_100102525489_114929384022 [1,1,0,0,0,0|0,0,2]=4 4413 B11R1.157 CC(=O)Cc1cccc(c1)Br 1458a_100000070787_100000211773 [1,1,0,0,0,0|1,0,1]=4 4414 B11R1.157 CC(=O)Cc1cccc(c1)Br 1458a_100000747190_200000210301 [1,1,0,0,0,0|1,0,1]=4 4415 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100000070787_100000211840 [1,1,0,0,0,0|1,0,1]=4 4416 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100011206899_200000210301 [1,1,0,0,0,0|1,0,1]=4 4417 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1458a_100000070787_100000181238 [1,1,0,0,0,0|1,0,1]=4 4418 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1458a_100000749307_200000210301 [1,1,0,0,0,0|1,0,1]=4 4419 B11R1.157 CC(=O)Cc1cccc(c1)F 1458a_100000070787_100000230114 [1,1,0,0,0,0|1,0,1]=4 4420 B11R1.157 CC(=O)Cc1cccc(c1)F 1458a_100000211661_200000210301 [1,1,0,0,0,0|1,0,1]=4 4421 B11R1.157 CC(=O)Cc1cccc(c1)I 1458a_100000070787_100011218688 [1,1,0,0,0,0|1,0,1]=4 4422 B11R1.157 CC(=O)Cc1cccc(c1)I 1458a_100000238430_200000210301 [1,1,0,0,0,0|1,0,1]=4 4423 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000070787_100011660834 [1,1,0,0,0,0|1,0,1]=4 4424 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000745134_200000210301 [1,1,0,0,0,0|1,0,1]=4 4425 B11R1.157 CC(=O)Cc1cccc(c1)O 271570a_203496583355_100000689217 [1,1,0,0,0,0|1,0,1]=4 4426 B11R1.157 CC(C)Cc1cccc(c1)O 271570a_203496583355_100010883412 [1,1,0,0,0,0|0,0,0]=2 4427 B11R1.157 CC(C)Nc1cc(ccn1)F 27a_100138425928_100000764206 [1,1,0,0,0,0|2,0,0]=4 4428 B11R1.157 CC(C)Nc1cc(ccn1)O 271570a_203496583355_200012354261 [1,1,0,0,0,0|2,0,0]=4 4429 B11R1.157 CC(C)Nc1cc[nH]c(=O)c1 27a_100138425928_100000061649 [1,1,0,0,0,0|2,0,0]=4 4430 B11R1.157 CC(C)Nc1cccc(c1)Br 34a_100000210019_100000210206 [1,1,0,0,0,0|1,0,0]=3 4431 B11R1.157 CC(C)Nc1cccc(c1)Cl 34a_100000185859_100000210206 [1,1,0,0,0,0|1,0,0]=3 4432 B11R1.157 CC(C)Nc1cccc(c1)F 34a_100000210047_100000210206 [1,1,0,0,0,0|1,0,0]=3 4433 B11R1.157 CC(C)Nc1cccc(c1)I 34a_100000211102_100000210206 [1,1,0,0,0,0|1,0,0]=3 4434 B11R1.157 CC(C)Nc1cccc(c1)O 271570a_203496583355_100000219649 [1,1,0,0,0,0|1,0,0]=3 4435 B11R1.157 CC(C)Nc1cccc(c1)O 34a_100000210217_100000210206 [1,1,0,0,0,0|1,0,0]=3 4436 B11R1.157 CC(C)Nc1cccc(n1)F 27a_100138425928_100009815982 [1,1,0,0,0,0|2,0,0]=4 4437 B11R1.157 CC(C)Nc1ccnc(c1)F 27a_100138425928_100009816116 [1,1,0,0,0,0|2,0,0]=4 4438 B11R1.157 CC(C)Oc1cc(ccn1)O 271570a_203496583355_100010247003 [1,1,0,0,0,0|2,0,0]=4 4439 B11R1.157 CC(C)Oc1cc[nH]c(=O)c1 34a_100000032262_100000210206 [1,1,0,0,0,0|2,0,0]=4 4440 B11R1.157 CC(C)Oc1ccc[n+](c1)[O-] 34a_100000039713_100000210206 [1,1,0,0,0,0|2,0,0]=4 4441 B11R1.157 CC(C)Oc1ccc[n+](c1)[O-] 7a_100000039713_100000210206 [1,1,0,0,0,0|2,0,0]=4 4442 B11R1.157 CC(C)Oc1cccc(=O)[nH]1 34a_100000033347_100000210206 [1,1,0,0,0,0|2,0,0]=4 4443 B11R1.157 CC(C)Oc1cccc(c1)Br 34a_100000210342_100000210206 [1,1,0,0,0,0|1,0,0]=3 4444 B11R1.157 CC(C)Oc1cccc(c1)Br 7a_100000210342_100000210206 [1,1,0,0,0,0|1,0,0]=3 4445 B11R1.157 CC(C)Oc1cccc(c1)Cl 34a_100000210295_100000210206 [1,1,0,0,0,0|1,0,0]=3 4446 B11R1.157 CC(C)Oc1cccc(c1)Cl 7a_100000210295_100000210206 [1,1,0,0,0,0|1,0,0]=3 4447 B11R1.157 CC(C)Oc1cccc(c1)F 34a_100000210426_100000210206 [1,1,0,0,0,0|1,0,0]=3 4448 B11R1.157 CC(C)Oc1cccc(c1)F 7a_100000210426_100000210206 [1,1,0,0,0,0|1,0,0]=3 4449 B11R1.157 CC(C)Oc1cccc(c1)I 34a_100000211634_100000210206 [1,1,0,0,0,0|1,0,0]=3 4450 B11R1.157 CC(C)Oc1cccc(c1)I 7a_100000211634_100000210206 [1,1,0,0,0,0|1,0,0]=3 4451 B11R1.157 CC(C)Oc1cccc(c1)N 34a_100000210217_100000210206 [1,1,0,0,0,0|1,0,0]=3 4452 B11R1.157 CC(C)Oc1cccc(c1)O 271570a_203496583355_100000170003 [1,1,0,0,0,0|1,0,0]=3 4453 B11R1.157 CC(C)Oc1cccc(n1)F 34a_100011432558_100000210206 [1,1,0,0,0,0|2,0,0]=4 4454 B11R1.157 CC(C)Oc1cccc(n1)O 271570a_203496583355_100000703025 [1,1,0,0,0,0|2,0,0]=4 4455 B11R1.157 CC(C)Oc1ccnc(c1)Cl 34a_100000762945_100000210206 [1,1,0,0,0,0|2,0,0]=4 4456 B11R1.157 CC(C)Oc1ccnc(c1)F 34a_100000732698_100000210206 [1,1,0,0,0,0|2,0,0]=4 4457 B11R1.157 CC(C)Oc1ccnc(c1)N 34a_100011834064_100000210206 [1,1,0,0,0,0|2,0,0]=4 4458 B11R1.157 CC(C)Oc1cncc(c1)Br 34a_100000754920_100000210206 [1,1,0,0,0,0|2,0,0]=4 4459 B11R1.157 CC(C)Oc1cncc(c1)Br 7a_100000754920_100000210206 [1,1,0,0,0,0|2,0,0]=4 4460 B11R1.157 CC(C)Oc1cncc(c1)Cl 7a_100000032511_100000210206 [1,1,0,0,0,0|2,0,0]=4 4461 B11R1.157 CC(C)Oc1cncc(c1)F 34a_100011830296_100000210206 [1,1,0,0,0,0|2,0,0]=4 4462 B11R1.157 CC(C)Oc1cncc(c1)F 7a_100011830296_100000210206 [1,1,0,0,0,0|2,0,0]=4 4463 B11R1.157 CC(C)Oc1cncc(c1)N 34a_100011997051_100000210206 [1,1,0,0,0,0|2,0,0]=4 4464 B11R1.157 CC(C)Oc1cncc(c1)O 271570a_203496583355_100012029599 [1,1,0,0,0,0|2,0,0]=4 4465 B11R1.157 CC(C)Sc1cc(=O)cc[nH]1 62a_100009817434_100000210206 [1,1,0,0,0,0|2,0,0]=4 4466 B11R1.157 CC(C)Sc1cc(ccn1)Cl 62a_100000210206_100010167805 [1,1,0,0,0,0|2,0,0]=4 4467 B11R1.157 CC(C)Sc1cc(ccn1)Cl 62a_100010167805_100000210206 [1,1,0,0,0,0|2,0,0]=4 4468 B11R1.157 CC(C)Sc1cc(ccn1)F 62a_100000210206_100000764206 [1,1,0,0,0,0|2,0,0]=4 4469 B11R1.157 CC(C)Sc1cc(ccn1)F 62a_100000764206_100000210206 [1,1,0,0,0,0|2,0,0]=4 4470 B11R1.157 CC(C)Sc1cc(ccn1)N 62a_100000210206_100009814236 [1,1,0,0,0,0|2,0,0]=4 4471 B11R1.157 CC(C)Sc1cc(ccn1)N 62a_100009814236_100000210206 [1,1,0,0,0,0|2,0,0]=4 4472 B11R1.157 CC(C)Sc1cc(ccn1)O 62a_100000210206_100000762945 [1,1,0,0,0,0|2,0,0]=4 4473 B11R1.157 CC(C)Sc1cc[nH]c(=O)c1 62a_100000210206_100009816521 [1,1,0,0,0,0|2,0,0]=4 4474 B11R1.157 CC(C)Sc1cc[nH]c(=O)c1 62a_100009816521_100000210206 [1,1,0,0,0,0|2,0,0]=4 4475 B11R1.157 CC(C)Sc1ccc[n+](c1)C 62a_100000210206_100009996589 [1,1,0,0,0,0|2,0,0]=4 4476 B11R1.157 CC(C)Sc1ccc[n+](c1)C 62a_100009996589_100000210206 [1,1,0,0,0,0|2,0,0]=4 4477 B11R1.157 CC(C)Sc1ccc[n+](c1)[O-] 62a_100000210206_100009815978 [1,1,0,0,0,0|2,0,0]=4 4478 B11R1.157 CC(C)Sc1cccc(=O)[nH]1 62a_100000210206_100000752884 [1,1,0,0,0,0|2,0,0]=4 4479 B11R1.157 CC(C)Sc1cccc(c1)Br 62a_100000210206_100000691529 [1,1,0,0,0,0|1,0,0]=3 4480 B11R1.157 CC(C)Sc1cccc(c1)Br 62a_100000691529_100000210206 [1,1,0,0,0,0|1,0,0]=3 4481 B11R1.157 CC(C)Sc1cccc(c1)Cl 62a_100000210206_100000699651 [1,1,0,0,0,0|1,0,0]=3 4482 B11R1.157 CC(C)Sc1cccc(c1)Cl 62a_100000699651_100000210206 [1,1,0,0,0,0|1,0,0]=3 4483 B11R1.157 CC(C)Sc1cccc(c1)F 62a_100000210206_100000685547 [1,1,0,0,0,0|1,0,0]=3 4484 B11R1.157 CC(C)Sc1cccc(c1)F 62a_100000685547_100000210206 [1,1,0,0,0,0|1,0,0]=3 4485 B11R1.157 CC(C)Sc1cccc(c1)N 62a_100000210019_100000210206 [1,1,0,0,0,0|1,0,0]=3 4486 B11R1.157 CC(C)Sc1cccc(c1)N 62a_100000210206_100000210019 [1,1,0,0,0,0|1,0,0]=3 4487 B11R1.157 CC(C)Sc1cccc(c1)O 271570a_203496583355_100009815759 [1,1,0,0,0,0|1,0,0]=3 4488 B11R1.157 CC(C)Sc1cccc(c1)O 62a_100000210206_100000211634 [1,1,0,0,0,0|1,0,0]=3 4489 B11R1.157 CC(C)Sc1cccc(c1)[S] 62a_100000210206_114929384022 [1,1,0,0,0,0|1,0,0]=3 4490 B11R1.157 CC(C)Sc1cccc(c1)[S] 62a_114929384022_100000210206 [1,1,0,0,0,0|1,0,0]=3 4491 B11R1.157 CC(C)Sc1cccc(n1)Br 62a_100000210206_100000684672 [1,1,0,0,0,0|2,0,0]=4 4492 B11R1.157 CC(C)Sc1cccc(n1)Br 62a_100000684672_100000210206 [1,1,0,0,0,0|2,0,0]=4 4493 B11R1.157 CC(C)Sc1cccc(n1)Cl 62a_100000051397_100000210206 [1,1,0,0,0,0|2,0,0]=4 4494 B11R1.157 CC(C)Sc1cccc(n1)Cl 62a_100000210206_100000051397 [1,1,0,0,0,0|2,0,0]=4 4495 B11R1.157 CC(C)Sc1cccc(n1)F 62a_100000210206_100009815982 [1,1,0,0,0,0|2,0,0]=4 4496 B11R1.157 CC(C)Sc1cccc(n1)F 62a_100009815982_100000210206 [1,1,0,0,0,0|2,0,0]=4 4497 B11R1.157 CC(C)Sc1cccc(n1)N 62a_100000210206_100000740741 [1,1,0,0,0,0|2,0,0]=4 4498 B11R1.157 CC(C)Sc1cccc(n1)N 62a_100000740741_100000210206 [1,1,0,0,0,0|2,0,0]=4 4499 B11R1.157 CC(C)Sc1ccnc(c1)Br 62a_100000210206_100009814637 [1,1,0,0,0,0|2,0,0]=4 4500 B11R1.157 CC(C)Sc1ccnc(c1)Br 62a_100009814637_100000210206 [1,1,0,0,0,0|2,0,0]=4 4501 B11R1.157 CC(C)Sc1ccnc(c1)Cl 62a_100000035001_100000210206 [1,1,0,0,0,0|2,0,0]=4 4502 B11R1.157 CC(C)Sc1ccnc(c1)Cl 62a_100000210206_100000035001 [1,1,0,0,0,0|2,0,0]=4 4503 B11R1.157 CC(C)Sc1ccnc(c1)F 62a_100000210206_100009816116 [1,1,0,0,0,0|2,0,0]=4 4504 B11R1.157 CC(C)Sc1ccnc(c1)F 62a_100009816116_100000210206 [1,1,0,0,0,0|2,0,0]=4 4505 B11R1.157 CC(C)Sc1ccnc(c1)N 62a_100000049665_100000210206 [1,1,0,0,0,0|2,0,0]=4 4506 B11R1.157 CC(C)Sc1ccnc(c1)N 62a_100000210206_100000049665 [1,1,0,0,0,0|2,0,0]=4 4507 B11R1.157 CC(C)Sc1cncc(c1)Br 62a_100000210206_100000728054 [1,1,0,0,0,0|2,0,0]=4 4508 B11R1.157 CC(C)Sc1cncc(c1)Br 62a_100000728054_100000210206 [1,1,0,0,0,0|2,0,0]=4 4509 B11R1.157 CC(C)Sc1cncc(c1)Cl 62a_100000049639_100000210206 [1,1,0,0,0,0|2,0,0]=4 4510 B11R1.157 CC(C)Sc1cncc(c1)Cl 62a_100000210206_100000049639 [1,1,0,0,0,0|2,0,0]=4 4511 B11R1.157 CC(C)Sc1cncc(c1)F 62a_100000210206_100000744099 [1,1,0,0,0,0|2,0,0]=4 4512 B11R1.157 CC(C)Sc1cncc(c1)F 62a_100000744099_100000210206 [1,1,0,0,0,0|2,0,0]=4 4513 B11R1.157 CC(C)Sc1cncc(c1)N 62a_100000210206_100000687067 [1,1,0,0,0,0|2,0,0]=4 4514 B11R1.157 CC(C)Sc1cncc(c1)N 62a_100000687067_100000210206 [1,1,0,0,0,0|2,0,0]=4 4515 B11R1.157 CC(C)Sc1cncc(c1)O 62a_100000210206_100000754920 [1,1,0,0,0,0|2,0,0]=4 4516 B11R1.157 CC(C)Sc1cncc(c1)O 62a_100000754920_100000210206 [1,1,0,0,0,0|2,0,0]=4 4517 B11R1.157 CN(C)Cc1cc(ccn1)Br 2230a_100102631434_100010173614 [1,1,0,0,0,0|2,0,0]=4 4518 B11R1.157 CN(C)Cc1cc(ccn1)Br 269982a_100102631434_100010173614 [1,1,0,0,0,0|2,0,0]=4 4519 B11R1.157 CN(C)Cc1cc(ccn1)Br 270004a_100102631434_100009818557 [1,1,0,0,0,0|2,0,0]=4 4520 B11R1.157 CN(C)Cc1cc(ccn1)Cl 2230a_100102631434_100016988179 [1,1,0,0,0,0|2,0,0]=4 4521 B11R1.157 CN(C)Cc1cc(ccn1)Cl 2230a_100102954512_200000210301 [1,1,0,0,0,0|2,0,0]=4 4522 B11R1.157 CN(C)Cc1cc(ccn1)Cl 269982a_100102631434_100016988179 [1,1,0,0,0,0|2,0,0]=4 4523 B11R1.157 CN(C)Cc1cc(ccn1)Cl 269982a_100102954512_200000210301 [1,1,0,0,0,0|2,0,0]=4 4524 B11R1.157 CN(C)Cc1cc(ccn1)Cl 270004a_100102631434_100011998288 [1,1,0,0,0,0|2,0,0]=4 4525 B11R1.157 CN(C)Cc1cccc(c1)Br 2230a_100000187585_200000210301 [1,1,0,0,0,0|1,0,0]=3 4526 B11R1.157 CN(C)Cc1cccc(c1)Br 2230a_100102631434_100000698116 [1,1,0,0,0,0|1,0,0]=3 4527 B11R1.157 CN(C)Cc1cccc(c1)Br 269982a_100000187585_200000210301 [1,1,0,0,0,0|1,0,0]=3 4528 B11R1.157 CN(C)Cc1cccc(c1)Br 269982a_100102631434_100000211773 [1,1,0,0,0,0|1,0,0]=3 4529 B11R1.157 CN(C)Cc1cccc(c1)Br 270004a_100102631434_100000210085 [1,1,0,0,0,0|1,0,0]=3 4530 B11R1.157 CN(C)Cc1cccc(c1)Cl 2230a_100020629429_200000210301 [1,1,0,0,0,0|1,0,0]=3 4531 B11R1.157 CN(C)Cc1cccc(c1)Cl 2230a_100102631434_100000181238 [1,1,0,0,0,0|1,0,0]=3 4532 B11R1.157 CN(C)Cc1cccc(c1)Cl 269982a_100020629429_200000210301 [1,1,0,0,0,0|1,0,0]=3 4533 B11R1.157 CN(C)Cc1cccc(c1)Cl 269982a_100102631434_100000181238 [1,1,0,0,0,0|1,0,0]=3 4534 B11R1.157 CN(C)Cc1cccc(c1)Cl 270004a_100102631434_100000210801 [1,1,0,0,0,0|1,0,0]=3 4535 B11R1.157 CN(C)Cc1cccc(c1)F 2230a_100000184398_200000210301 [1,1,0,0,0,0|1,0,0]=3 4536 B11R1.157 CN(C)Cc1cccc(c1)F 2230a_100102631434_100000230114 [1,1,0,0,0,0|1,0,0]=3 4537 B11R1.157 CN(C)Cc1cccc(c1)F 269982a_100000184398_200000210301 [1,1,0,0,0,0|1,0,0]=3 4538 B11R1.157 CN(C)Cc1cccc(c1)F 269982a_100102631434_100000230114 [1,1,0,0,0,0|1,0,0]=3 4539 B11R1.157 CN(C)Cc1cccc(c1)F 270004a_100102631434_100000210812 [1,1,0,0,0,0|1,0,0]=3 4540 B11R1.157 CN(C)Cc1cccc(c1)F 34a_100000184398_200000210301 [1,1,0,0,0,0|1,0,0]=3 4541 B11R1.157 CN(C)Cc1cccc(c1)I 2230a_100102631434_100011218688 [1,1,0,0,0,0|1,0,0]=3 4542 B11R1.157 CN(C)Cc1cccc(c1)I 269982a_100102631434_100011218688 [1,1,0,0,0,0|1,0,0]=3 4543 B11R1.157 CN(C)Cc1cccc(c1)I 270004a_100102631434_100000014684 [1,1,0,0,0,0|1,0,0]=3 4544 B11R1.157 CN(C)Cc1cccc(c1)O 2230a_100000207540_200000210301 [1,1,0,0,0,0|1,0,0]=3 4545 B11R1.157 CN(C)Cc1cccc(c1)O 2230a_100102631434_100011660834 [1,1,0,0,0,0|1,0,0]=3 4546 B11R1.157 CN(C)Cc1cccc(c1)O 269982a_100000207540_200000210301 [1,1,0,0,0,0|1,0,0]=3 4547 B11R1.157 CN(C)Cc1cccc(c1)O 269982a_100102631434_100000084143 [1,1,0,0,0,0|1,0,0]=3 4548 B11R1.157 CN(C)Cc1cccc(c1)O 270004a_100102631434_100000188321 [1,1,0,0,0,0|1,0,0]=3 4549 B11R1.157 CN(C)Cc1cccc(c1)O 271570a_203496583355_100000174759 [1,1,0,0,0,0|1,0,0]=3 4550 B11R1.157 CN(C)Cc1cccc(n1)Br 2230a_100102631434_100009889011 [1,1,0,0,0,0|2,0,0]=4 4551 B11R1.157 CN(C)Cc1cccc(n1)Br 2230a_106354212997_200000210301 [1,1,0,0,0,0|2,0,0]=4 4552 B11R1.157 CN(C)Cc1cccc(n1)Br 269982a_100102631434_100009889011 [1,1,0,0,0,0|2,0,0]=4 4553 B11R1.157 CN(C)Cc1cccc(n1)Br 269982a_106354212997_200000210301 [1,1,0,0,0,0|2,0,0]=4 4554 B11R1.157 CN(C)Cc1cccc(n1)Br 270004a_100102631434_100000688028 [1,1,0,0,0,0|2,0,0]=4 4555 B11R1.157 CN(C)Cc1cccc(n1)Cl 2230a_100102631434_100000086093 [1,1,0,0,0,0|2,0,0]=4 4556 B11R1.157 CN(C)Cc1cccc(n1)Cl 269982a_100102631434_100000086093 [1,1,0,0,0,0|2,0,0]=4 4557 B11R1.157 CN(C)Cc1cccc(n1)Cl 270004a_100102631434_100011361687 [1,1,0,0,0,0|2,0,0]=4 4558 B11R1.157 CN(C)Cc1cccc(n1)F 2230a_100102631434_100009819644 [1,1,0,0,0,0|2,0,0]=4 4559 B11R1.157 CN(C)Cc1cccc(n1)F 269982a_100102631434_100009819644 [1,1,0,0,0,0|2,0,0]=4 4560 B11R1.157 CN(C)Cc1cccc(n1)F 270004a_100102631434_100000050434 [1,1,0,0,0,0|2,0,0]=4 4561 B11R1.157 CN(C)Cc1ccnc(c1)Br 2230a_100102631434_100010243470 [1,1,0,0,0,0|2,0,0]=4 4562 B11R1.157 CN(C)Cc1ccnc(c1)Br 269982a_100102631434_100010254460 [1,1,0,0,0,0|2,0,0]=4 4563 B11R1.157 CN(C)Cc1ccnc(c1)Br 270004a_100102631434_100009814634 [1,1,0,0,0,0|2,0,0]=4 4564 B11R1.157 CN(C)Cc1ccnc(c1)Cl 2230a_100102631434_100000764220 [1,1,0,0,0,0|2,0,0]=4 4565 B11R1.157 CN(C)Cc1ccnc(c1)Cl 269982a_100102631434_100000764220 [1,1,0,0,0,0|2,0,0]=4 4566 B11R1.157 CN(C)Cc1ccnc(c1)Cl 270004a_100102631434_100011290808 [1,1,0,0,0,0|2,0,0]=4 4567 B11R1.157 CN(C)Cc1ccnc(c1)F 270004a_100102631434_100000068331 [1,1,0,0,0,0|2,0,0]=4 4568 B11R1.157 CN(C)Cc1cncc(c1)Br 2230a_100102631434_100000738771 [1,1,0,0,0,0|2,0,0]=4 4569 B11R1.157 CN(C)Cc1cncc(c1)Br 2230a_103549770560_200000210301 [1,1,0,0,0,0|2,0,0]=4 4570 B11R1.157 CN(C)Cc1cncc(c1)Br 269982a_100102631434_100000738771 [1,1,0,0,0,0|2,0,0]=4 4571 B11R1.157 CN(C)Cc1cncc(c1)Br 269982a_103549770560_200000210301 [1,1,0,0,0,0|2,0,0]=4 4572 B11R1.157 CN(C)Cc1cncc(c1)Br 270004a_100102631434_100000687066 [1,1,0,0,0,0|2,0,0]=4 4573 B11R1.157 CN(C)Cc1cncc(c1)Cl 2230a_100102631434_100016992070 [1,1,0,0,0,0|2,0,0]=4 4574 B11R1.157 CN(C)Cc1cncc(c1)Cl 269982a_100102631434_100016992070 [1,1,0,0,0,0|2,0,0]=4 4575 B11R1.157 CN(C)Cc1cncc(c1)Cl 270004a_100102631434_100000088910 [1,1,0,0,0,0|2,0,0]=4 4576 B11R1.157 CN(C)Cc1cncc(c1)F 2230a_100102631434_100000725299 [1,1,0,0,0,0|2,0,0]=4 4577 B11R1.157 CN(C)Cc1cncc(c1)F 269982a_100102631434_100000725299 [1,1,0,0,0,0|2,0,0]=4 4578 B11R1.157 CN(C)Cc1cncc(c1)F 270004a_100102631434_100011361476 [1,1,0,0,0,0|2,0,0]=4 4579 B11R1.157 CN(C)Cc1cncc(c1)O 270004a_100102631434_100012187055 [1,1,0,0,0,0|2,0,0]=4 4580 B11R1.157 CN([13CH3])Cc1cc(ccn1)Cl 2230a_100102954512_200025704644 [1,1,0,0,0,0|2,0,0]=4 4581 B11R1.157 CN([13CH3])Cc1cc(ccn1)Cl 269982a_100102954512_200025704644 [1,1,0,0,0,0|2,0,0]=4 4582 B11R1.157 CN([13CH3])Cc1cccc(c1)Br 2230a_100000187585_200025704644 [1,1,0,0,0,0|1,0,0]=3 4583 B11R1.157 CN([13CH3])Cc1cccc(c1)Br 269982a_100000187585_200025704644 [1,1,0,0,0,0|1,0,0]=3 4584 B11R1.157 CN([13CH3])Cc1cccc(c1)Cl 2230a_100020629429_200025704644 [1,1,0,0,0,0|1,0,0]=3 4585 B11R1.157 CN([13CH3])Cc1cccc(c1)Cl 269982a_100020629429_200025704644 [1,1,0,0,0,0|1,0,0]=3 4586 B11R1.157 CN([13CH3])Cc1cccc(c1)F 2230a_100000184398_200025704644 [1,1,0,0,0,0|1,0,0]=3 4587 B11R1.157 CN([13CH3])Cc1cccc(c1)F 269982a_100000184398_200025704644 [1,1,0,0,0,0|1,0,0]=3 4588 B11R1.157 CN([13CH3])Cc1cccc(c1)F 34a_100000184398_200025704644 [1,1,0,0,0,0|1,0,0]=3 4589 B11R1.157 CN([13CH3])Cc1cccc(c1)O 2230a_100000207540_200025704644 [1,1,0,0,0,0|1,0,0]=3 4590 B11R1.157 CN([13CH3])Cc1cccc(c1)O 269982a_100000207540_200025704644 [1,1,0,0,0,0|1,0,0]=3 4591 B11R1.157 CN([13CH3])Cc1cccc(n1)Br 2230a_106354212997_200025704644 [1,1,0,0,0,0|2,0,0]=4 4592 B11R1.157 CN([13CH3])Cc1cccc(n1)Br 269982a_106354212997_200025704644 [1,1,0,0,0,0|2,0,0]=4 4593 B11R1.157 CN([13CH3])Cc1cncc(c1)Br 2230a_103549770560_200025704644 [1,1,0,0,0,0|2,0,0]=4 4594 B11R1.157 CN([13CH3])Cc1cncc(c1)Br 269982a_103549770560_200025704644 [1,1,0,0,0,0|2,0,0]=4 4595 B11R1.157 Cc1cc(ccn1)CN(C)C 2230a_100102631434_200020672517 [1,1,0,0,0,0|2,0,0]=4 4596 B11R1.157 Cc1cc(ccn1)CN(C)C 269982a_100102631434_200020672517 [1,1,0,0,0,0|2,0,0]=4 4597 B11R1.157 Cc1cc(ccn1)CN(C)C 270004a_100102631434_100011361630 [1,1,0,0,0,0|2,0,0]=4 4598 B11R1.157 Cc1cc(ccn1)NC(C)C 27a_100138425928_100000758586 [1,1,0,0,0,0|2,0,0]=4 4599 B11R1.157 Cc1cc(ccn1)OC(C)C 34a_100000688365_100000210206 [1,1,0,0,0,0|2,0,0]=4 4600 B11R1.157 Cc1cc(ccn1)SC(C)C 62a_100000210206_100000758586 [1,1,0,0,0,0|2,0,0]=4 4601 B11R1.157 Cc1cc(ccn1)SC(C)C 62a_100000758586_100000210206 [1,1,0,0,0,0|2,0,0]=4 4602 B11R1.157 Cc1cccc(c1)CC(=O)[13CH3] 1458a_100011206899_200025704644 [1,1,0,0,0,0|1,0,1]=4 4603 B11R1.157 Cc1cccc(c1)CN(C)C 2230a_100102631434_100000211840 [1,1,0,0,0,0|1,0,0]=3 4604 B11R1.157 Cc1cccc(c1)CN(C)C 2230a_102495364743_200000210301 [1,1,0,0,0,0|1,0,0]=3 4605 B11R1.157 Cc1cccc(c1)CN(C)C 269982a_100102631434_100000211840 [1,1,0,0,0,0|1,0,0]=3 4606 B11R1.157 Cc1cccc(c1)CN(C)C 269982a_102495364743_200000210301 [1,1,0,0,0,0|1,0,0]=3 4607 B11R1.157 Cc1cccc(c1)CN(C)C 270004a_100102631434_100000211157 [1,1,0,0,0,0|1,0,0]=3 4608 B11R1.157 Cc1cccc(c1)CN(C)C 34a_102495364743_200000210301 [1,1,0,0,0,0|1,0,0]=3 4609 B11R1.157 Cc1cccc(c1)CN(C)[13CH3] 2230a_102495364743_200025704644 [1,1,0,0,0,0|1,0,0]=3 4610 B11R1.157 Cc1cccc(c1)CN(C)[13CH3] 269982a_102495364743_200025704644 [1,1,0,0,0,0|1,0,0]=3 4611 B11R1.157 Cc1cccc(c1)CN(C)[13CH3] 34a_102495364743_200025704644 [1,1,0,0,0,0|1,0,0]=3 4612 B11R1.157 Cc1cccc(c1)NC(C)C 2230a_100000188690_100000210206 [1,1,0,0,0,0|1,0,0]=3 4613 B11R1.157 Cc1cccc(c1)NC(C)C 34a_100000188690_100000210206 [1,1,0,0,0,0|1,0,0]=3 4614 B11R1.157 Cc1cccc(c1)OC(C)C 34a_100000210337_100000210206 [1,1,0,0,0,0|1,0,0]=3 4615 B11R1.157 Cc1cccc(c1)OC(C)C 7a_100000210337_100000210206 [1,1,0,0,0,0|1,0,0]=3 4616 B11R1.157 Cc1cccc(c1)SC(C)C 62a_100000210206_100011215228 [1,1,0,0,0,0|1,0,0]=3 4617 B11R1.157 Cc1cccc(c1)SC(C)C 62a_100011215228_100000210206 [1,1,0,0,0,0|1,0,0]=3 4618 B11R1.157 Cc1cccc(n1)CN(C)C 2230a_100000687132_200000210301 [1,1,0,0,0,0|2,0,0]=4 4619 B11R1.157 Cc1cccc(n1)CN(C)C 2230a_100102631434_100000757606 [1,1,0,0,0,0|2,0,0]=4 4620 B11R1.157 Cc1cccc(n1)CN(C)C 269982a_100000687132_200000210301 [1,1,0,0,0,0|2,0,0]=4 4621 B11R1.157 Cc1cccc(n1)CN(C)C 269982a_100102631434_100000757606 [1,1,0,0,0,0|2,0,0]=4 4622 B11R1.157 Cc1cccc(n1)CN(C)C 270004a_100102631434_100011215050 [1,1,0,0,0,0|2,0,0]=4 4623 B11R1.157 Cc1cccc(n1)CN(C)[13CH3] 2230a_100000687132_200025704644 [1,1,0,0,0,0|2,0,0]=4 4624 B11R1.157 Cc1cccc(n1)CN(C)[13CH3] 269982a_100000687132_200025704644 [1,1,0,0,0,0|2,0,0]=4 4625 B11R1.157 Cc1cccc(n1)SC(C)C 62a_100000210206_100000742759 [1,1,0,0,0,0|2,0,0]=4 4626 B11R1.157 Cc1cccc(n1)SC(C)C 62a_100000742759_100000210206 [1,1,0,0,0,0|2,0,0]=4 4627 B11R1.157 Cc1ccnc(c1)CN(C)C 2230a_100102631434_100000718516 [1,1,0,0,0,0|2,0,0]=4 4628 B11R1.157 Cc1ccnc(c1)CN(C)C 2230a_106354213154_200000210301 [1,1,0,0,0,0|2,0,0]=4 4629 B11R1.157 Cc1ccnc(c1)CN(C)C 269982a_100102631434_100000718516 [1,1,0,0,0,0|2,0,0]=4 4630 B11R1.157 Cc1ccnc(c1)CN(C)C 269982a_106354213154_200000210301 [1,1,0,0,0,0|2,0,0]=4 4631 B11R1.157 Cc1ccnc(c1)CN(C)C 270004a_100102631434_100011361488 [1,1,0,0,0,0|2,0,0]=4 4632 B11R1.157 Cc1ccnc(c1)CN(C)[13CH3] 2230a_106354213154_200025704644 [1,1,0,0,0,0|2,0,0]=4 4633 B11R1.157 Cc1ccnc(c1)CN(C)[13CH3] 269982a_106354213154_200025704644 [1,1,0,0,0,0|2,0,0]=4 4634 B11R1.157 Cc1ccnc(c1)SC(C)C 62a_100000210206_100000750283 [1,1,0,0,0,0|2,0,0]=4 4635 B11R1.157 Cc1ccnc(c1)SC(C)C 62a_100000750283_100000210206 [1,1,0,0,0,0|2,0,0]=4 4636 B11R1.157 Cc1cncc(c1)CN(C)C 2230a_100102631434_100000716715 [1,1,0,0,0,0|2,0,0]=4 4637 B11R1.157 Cc1cncc(c1)CN(C)C 269982a_100102631434_100000716715 [1,1,0,0,0,0|2,0,0]=4 4638 B11R1.157 Cc1cncc(c1)CN(C)C 270004a_100102631434_100011998712 [1,1,0,0,0,0|2,0,0]=4 4639 B11R1.157 Cc1cncc(c1)OC(C)C 34a_100011830280_100000210206 [1,1,0,0,0,0|2,0,0]=4 4640 B11R1.157 Cc1cncc(c1)OC(C)C 7a_100011830280_100000210206 [1,1,0,0,0,0|2,0,0]=4 4641 B11R1.157 Cc1cncc(c1)SC(C)C 62a_100000210206_100000760492 [1,1,0,0,0,0|2,0,0]=4 4642 B11R1.157 Cc1cncc(c1)SC(C)C 62a_100000760492_100000210206 [1,1,0,0,0,0|2,0,0]=4 4643 B11R1.157 NC(=O)Cc1cccc(c1)O 271570a_203496583355_100011586816 [1,1,0,0,0,0|1,0,1]=4 4644 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)Br 1458a_100000747190_200025704644 [1,1,0,0,0,0|1,0,1]=4 4645 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)Cl 1458a_100000749307_200025704644 [1,1,0,0,0,0|1,0,1]=4 4646 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)F 1458a_100000211661_200025704644 [1,1,0,0,0,0|1,0,1]=4 4647 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)I 1458a_100000238430_200025704644 [1,1,0,0,0,0|1,0,1]=4 4648 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)O 1458a_100000745134_200025704644 [1,1,0,0,0,0|1,0,1]=4 4649 B11R1.509 CC(C)(C)Nc1ccccc1 34a_100000106764_100000210625 [1,1,0,0,0,0|1,0,0]=3 4650 B11R1.509 CC(C)(C)Oc1ccccc1 34a_100000210340_100000210625 [1,1,0,0,0,0|1,0,0]=3 4651 B11R1.509 CC(C)(C)Oc1cccnc1 34a_100000210849_100000210625 [1,1,0,0,0,0|2,0,0]=4 4652 B11R1.509 CC(C)(C)Oc1ccncc1 34a_100000212176_100000210625 [1,1,0,0,0,0|2,0,0]=4 4653 B11R1.509 CC(C)(C)Sc1ccccc1 62a_100000211941_100000041952 [1,1,0,0,0,0|1,0,0]=3 4654 B11R1.509 CC(C)(C)Sc1ccccc1 62a_100000719477_100000211941 [1,1,0,0,0,0|1,0,0]=3 4655 B11R1.509 CC(C)(C)Sc1ccccn1 62a_100000211941_100011216584 [1,1,0,0,0,0|2,0,0]=4 4656 B11R1.509 CC(C)(C)Sc1ccccn1 62a_100011216584_100000211941 [1,1,0,0,0,0|2,0,0]=4 4657 B11R1.509 CC(C)(C)Sc1cccnc1 62a_100000210063_100000211941 [1,1,0,0,0,0|2,0,0]=4 4658 B11R1.509 CC(C)(C)Sc1cccnc1 62a_100000211941_100000210063 [1,1,0,0,0,0|2,0,0]=4 4659 B11R1.509 CC(C)(C)Sc1ccncc1 62a_100000211941_100000728582 [1,1,0,0,0,0|2,0,0]=4 4660 B11R1.509 CC(C)(C)Sc1ccncc1 62a_100000728582_100000211941 [1,1,0,0,0,0|2,0,0]=4 4661 B11R1.7 CC(C)(N[13CH3])c1ccccc1 2230a_100011218174_200025704644 [0,1,0,0,1,0|0,0,0]=2 4662 B11R1.7 CC(C)(N[13CH3])c1ccccn1 2230a_100011999416_200025704644 [0,1,0,0,1,0|1,0,0]=3 4663 B11R1.7 CC(C)(N[13CH3])c1cccnc1 2230a_100011376175_200025704644 [0,1,0,0,1,0|1,0,0]=3 4664 B11R1.7 CC(C)(O[13CH3])c1ccccc1 7a_100000694644_200025704644 [0,1,0,0,1,0|1,0,0]=3 4665 B11R1.7 CC(C)(O[13CH3])c1ccccn1 7a_100000041474_200025704644 [0,1,0,0,1,0|2,0,0]=4 4666 B11R1.7 CC(C)(S[13CH3])c1ccccc1 62a_100000034625_200025704644 [0,1,0,0,1,0|1,0,0]=3 4667 B11R1.7 CC(C)(S[13CH3])c1ccccc1 62a_200025704644_100000034625 [0,1,0,0,1,0|1,0,0]=3 4668 B11R1.7 CNC(C)(C)c1ccccc1 2230a_100011218174_200000210301 [0,1,0,0,1,0|0,0,0]=2 4669 B11R1.7 CNC(C)(C)c1ccccc1 2230a_106832991635_100000034625 [0,1,0,0,1,0|0,0,0]=2 4670 B11R1.7 CNC(C)(C)c1ccccn1 2230a_100011999416_200000210301 [0,1,0,0,1,0|1,0,0]=3 4671 B11R1.7 CNC(C)(C)c1cccnc1 2230a_100011376175_200000210301 [0,1,0,0,1,0|1,0,0]=3 4672 B11R1.7 CNC(F)(F)c1ccccc1 7a_106832991635_100000036403 [0,1,0,0,1,0|1,0,0]=3 4673 B11R1.7 CNS(=O)(=O)c1ccccc1 270084a_100102657272_100000210345 [0,1,0,0,1,0|2,0,0]=4 4674 B11R1.7 CNS(=O)(=O)c1ccccc1 274078a_100102657272_100000210345 [0,1,0,0,1,0|2,0,0]=4 4675 B11R1.7 CNS(=O)(=O)c1ccccc1 40a_100102657272_100000032697 [0,1,0,0,1,0|2,0,0]=4 4676 B11R1.7 COC(C)(C)c1ccccc1 7a_100000694644_200000210301 [0,1,0,0,1,0|1,0,0]=3 4677 B11R1.7 COC(C)(C)c1ccccn1 7a_100000041474_200000210301 [0,1,0,0,1,0|2,0,0]=4 4678 B11R1.7 CSC(C)(C)c1ccccc1 62a_100000034625_200000210301 [0,1,0,0,1,0|1,0,0]=3 4679 B11R1.7 CSC(C)(C)c1ccccc1 62a_200000210301_100000034625 [0,1,0,0,1,0|1,0,0]=3 4680 B11R1.7 CSC(F)(F)c1ccccc1 62a_200000210301_100000036403 [0,1,0,0,1,0|2,0,0]=4 4681 B11R1.7 [13CH3]SC(F)(F)c1ccccc1 62a_200025704644_100000036403 [0,1,0,0,1,0|2,0,0]=4 4682 B11R1.12 C#CC(OC)c1ccccc1 34a_100011219616_200000210301 [0,1,0,0,1,0|1,0,1]=4 4683 B11R1.12 C#CC(OC)c1ccccc1 7a_100011219616_200000210301 [0,1,0,0,1,0|1,0,1]=4 4684 B11R1.12 C#CC(O[13CH3])c1ccccc1 34a_100011219616_200025704644 [0,1,0,0,1,0|1,0,1]=4 4685 B11R1.12 C#CC(O[13CH3])c1ccccc1 7a_100011219616_200025704644 [0,1,0,0,1,0|1,0,1]=4 4686 B11R1.12 C=CC(NC)c1ccccc1 2230a_106832991635_200000085779 [0,1,0,0,1,0|0,0,1]=3 4687 B11R1.12 C=CC(OC)c1ccccc1 34a_100011215659_200000210301 [0,1,0,0,1,0|1,0,1]=4 4688 B11R1.12 C=CC(OC)c1ccccc1 7a_100011215659_200000210301 [0,1,0,0,1,0|1,0,1]=4 4689 B11R1.12 C=CC(O[13CH3])c1ccccc1 34a_100011215659_200025704644 [0,1,0,0,1,0|1,0,1]=4 4690 B11R1.12 C=CC(O[13CH3])c1ccccc1 7a_100011215659_200025704644 [0,1,0,0,1,0|1,0,1]=4 4691 B11R1.12 C=CC(SC)c1ccccc1 62a_200000085779_200000210301 [0,1,0,0,1,0|1,0,1]=4 4692 B11R1.12 C=CC(SC)c1ccccc1 62a_200000210301_200000085779 [0,1,0,0,1,0|1,0,1]=4 4693 B11R1.12 C=CC(S[13CH3])c1ccccc1 62a_200000085779_200025704644 [0,1,0,0,1,0|1,0,1]=4 4694 B11R1.12 C=CC(S[13CH3])c1ccccc1 62a_200025704644_200000085779 [0,1,0,0,1,0|1,0,1]=4 4695 B11R1.12 CCC(NC)c1ccccc1 2230a_100000737752_200000210301 [0,1,0,0,1,0|0,0,0]=2 4696 B11R1.12 CCC(NC)c1ccccc1 269862a_106832991636_100000210124 [0,1,0,0,1,0|0,0,0]=2 4697 B11R1.12 CCC(NC)c1ccccn1 2230a_100015186561_200000210301 [0,1,0,0,1,0|1,0,0]=3 4698 B11R1.12 CCC(NC)c1ccccn1 269862a_106832991636_100000748178 [0,1,0,0,1,0|1,0,0]=3 4699 B11R1.12 CCC(NC)c1cccnc1 2230a_100000246009_200000210301 [0,1,0,0,1,0|1,0,0]=3 4700 B11R1.12 CCC(NC)c1cccnc1 269862a_106832991636_100011218761 [0,1,0,0,1,0|1,0,0]=3 4701 B11R1.12 CCC(NC)c1ccncc1 269862a_106832991636_100011216016 [0,1,0,0,1,0|1,0,0]=3 4702 B11R1.12 CCC(NC)c1cnccn1 2230a_200016994365_200000210301 [0,1,0,0,1,0|2,0,0]=4 4703 B11R1.12 CCC(NC)c1ncccn1 269862a_106832991636_200011350823 [0,1,0,0,1,0|2,0,0]=4 4704 B11R1.12 CCC(NC)c1ncccn1 270004a_106832991635_200011350823 [0,1,0,0,1,0|2,0,0]=4 4705 B11R1.12 CCC(N[13CH3])c1ccccc1 2230a_100000737752_200025704644 [0,1,0,0,1,0|0,0,0]=2 4706 B11R1.12 CCC(N[13CH3])c1ccccn1 2230a_100015186561_200025704644 [0,1,0,0,1,0|1,0,0]=3 4707 B11R1.12 CCC(N[13CH3])c1cccnc1 2230a_100000246009_200025704644 [0,1,0,0,1,0|1,0,0]=3 4708 B11R1.12 CCC(N[13CH3])c1cnccn1 2230a_200016994365_200025704644 [0,1,0,0,1,0|2,0,0]=4 4709 B11R1.12 CCC(OC)c1ccccc1 34a_100000698172_200000210301 [0,1,0,0,1,0|1,0,0]=3 4710 B11R1.12 CCC(OC)c1ccccc1 7a_100000698172_200000210301 [0,1,0,0,1,0|1,0,0]=3 4711 B11R1.12 CCC(O[13CH3])c1ccccc1 34a_100000698172_200025704644 [0,1,0,0,1,0|1,0,0]=3 4712 B11R1.12 CCC(O[13CH3])c1ccccc1 7a_100000698172_200025704644 [0,1,0,0,1,0|1,0,0]=3 4713 B11R1.12 CCN(CC)c1ccccc1 2230a_100000210013_100000210202 [0,1,0,0,1,0|2,0,0]=4 4714 B11R1.12 CCN(CC)c1ccccc1 269982a_100000210013_100000204670 [0,1,0,0,1,0|2,0,0]=4 4715 B11R1.12 CCN(CC)c1ccccc1 34a_100000210013_100000210202 [0,1,0,0,1,0|2,0,0]=4 4716 B11R1.12 CCN(CF)c1ccccc1 269982a_100000210013_100015361967 [0,1,0,0,1,0|2,0,0]=4 4717 B11R1.12 CCN(CF)c1ccccc1 34a_100000210013_100015361967 [0,1,0,0,1,0|2,0,0]=4 4718 B11R1.12 CNC(CO)c1ccccn1 2230a_100015196888_200000210301 [0,1,0,0,1,0|1,0,0]=3 4719 B11R1.12 CN[C@H](CO)c1ccccc1 2230a_100000751927_200000210301 [0,1,0,0,1,0|0,0,0]=2 4720 B11R1.12 CN[C@H](CO)c1ccccc1 34a_100000751927_200000210301 [0,1,0,0,1,0|0,0,0]=2 4721 B11R1.12 CN[C@H](CO)c1ccncc1 2230a_100138412524_200000210301 [0,1,0,0,1,0|1,0,0]=3 4722 B11R1.12 COC(C#N)c1ccccc1 7a_100011217353_200000210301 [0,1,0,0,1,0|1,0,1]=4 4723 B11R1.12 COC(CBr)c1ccccc1 7a_100000185958_200000210301 [0,1,0,0,1,0|1,0,0]=3 4724 B11R1.12 COC(CN)c1ccccc1 34a_100000210709_200000210301 [0,1,0,0,1,0|1,0,0]=3 4725 B11R1.12 CO[C@H](CCl)c1ccccc1 34a_100011933945_200000210301 [0,1,0,0,1,0|1,0,0]=3 4726 B11R1.12 CO[C@H](CCl)c1ccccc1 7a_100011933945_200000210301 [0,1,0,0,1,0|1,0,0]=3 4727 B11R1.12 [13CH3]NC(CO)c1ccccn1 2230a_100015196888_200025704644 [0,1,0,0,1,0|1,0,0]=3 4728 B11R1.12 [13CH3]N[C@H](CO)c1ccccc1 2230a_100000751927_200025704644 [0,1,0,0,1,0|0,0,0]=2 4729 B11R1.12 [13CH3]N[C@H](CO)c1ccccc1 34a_100000751927_200025704644 [0,1,0,0,1,0|0,0,0]=2 4730 B11R1.12 [13CH3]N[C@H](CO)c1ccncc1 2230a_100138412524_200025704644 [0,1,0,0,1,0|1,0,0]=3 4731 B11R1.12 [13CH3]OC(C#N)c1ccccc1 7a_100011217353_200025704644 [0,1,0,0,1,0|1,0,1]=4 4732 B11R1.12 [13CH3]OC(CBr)c1ccccc1 7a_100000185958_200025704644 [0,1,0,0,1,0|1,0,0]=3 4733 B11R1.12 [13CH3]OC(CN)c1ccccc1 34a_100000210709_200025704644 [0,1,0,0,1,0|1,0,0]=3 4734 B11R1.12 [13CH3]O[C@H](CCl)c1ccccc1 34a_100011933945_200025704644 [0,1,0,0,1,0|1,0,0]=3 4735 B11R1.12 [13CH3]O[C@H](CCl)c1ccccc1 7a_100011933945_200025704644 [0,1,0,0,1,0|1,0,0]=3 4736 B11R1.22 CC(C#N)c1ccc(cc1)O 271570a_203496583355_100000695319 [0,1,0,0,1,0|2,0,0]=4 4737 B11R1.22 CC(N[13CH3])c1ccc(cn1)Br 2230a_100000723930_200025704644 [0,1,0,0,1,0|1,0,0]=3 4738 B11R1.22 CC(O[13CH3])c1ccc(cc1)Br 34a_100000745893_200025704644 [0,1,0,0,1,0|1,0,0]=3 4739 B11R1.22 CC(O[13CH3])c1ccc(cc1)Br 7a_100000745893_200025704644 [0,1,0,0,1,0|1,0,0]=3 4740 B11R1.22 CC(O[13CH3])c1ccc(cc1)F 34a_100000181323_200025704644 [0,1,0,0,1,0|1,0,0]=3 4741 B11R1.22 CC(O[13CH3])c1ccc(cc1)F 7a_100000181323_200025704644 [0,1,0,0,1,0|1,0,0]=3 4742 B11R1.22 CC(O[13CH3])c1ccc(cc1)N 34a_100011216399_200025704644 [0,1,0,0,1,0|1,0,0]=3 4743 B11R1.22 CC(O[13CH3])c1ccc(cn1)Br 34a_100012353650_200025704644 [0,1,0,0,1,0|2,0,0]=4 4744 B11R1.22 CC(O[13CH3])c1ccc(cn1)Br 7a_100012353650_200025704644 [0,1,0,0,1,0|2,0,0]=4 4745 B11R1.22 CC(O[13CH3])c1ccc(nc1)Br 34a_200010274204_200025704644 [0,1,0,0,1,0|2,0,0]=4 4746 B11R1.22 CC(O[13CH3])c1ccc(nc1)Br 7a_200010274204_200025704644 [0,1,0,0,1,0|2,0,0]=4 4747 B11R1.22 CC(O[13CH3])c1ccc(nc1)Cl 34a_200012017543_200025704644 [0,1,0,0,1,0|2,0,0]=4 4748 B11R1.22 CC(O[13CH3])c1ccc(nc1)Cl 7a_200012017543_200025704644 [0,1,0,0,1,0|2,0,0]=4 4749 B11R1.22 CC(S[13CH3])c1ccc(cc1)Br 62a_100000755118_200025704644 [0,1,0,0,1,0|1,0,0]=3 4750 B11R1.22 CC(S[13CH3])c1ccc(cc1)Br 62a_200025704644_100000755118 [0,1,0,0,1,0|1,0,0]=3 4751 B11R1.22 CC(S[13CH3])c1ccc(cc1)Cl 62a_100000684792_200025704644 [0,1,0,0,1,0|1,0,0]=3 4752 B11R1.22 CC(S[13CH3])c1ccc(cc1)Cl 62a_200025704644_100000684792 [0,1,0,0,1,0|1,0,0]=3 4753 B11R1.22 CC(S[13CH3])c1ccc(cc1)F 62a_100000743420_200025704644 [0,1,0,0,1,0|1,0,0]=3 4754 B11R1.22 CC(S[13CH3])c1ccc(cc1)F 62a_200025704644_100000743420 [0,1,0,0,1,0|1,0,0]=3 4755 B11R1.22 CCC(C)c1ccc(cc1)O 271570a_203496583355_100011221364 [0,1,0,0,1,0|1,0,0]=3 4756 B11R1.22 CCC(O)c1ccc(cc1)O 271570a_203496583355_100000246506 [0,1,0,0,1,0|2,0,0]=4 4757 B11R1.22 CCN(C)c1ccc(cc1)Br 2230a_100000219623_100000210202 [0,1,0,0,1,0|2,0,0]=4 4758 B11R1.22 CCN(C)c1ccc(cc1)Br 2230a_100000219632_200000210301 [0,1,0,0,1,0|2,0,0]=4 4759 B11R1.22 CCN(C)c1ccc(cc1)Br 269982a_100000219623_100000204670 [0,1,0,0,1,0|2,0,0]=4 4760 B11R1.22 CCN(C)c1ccc(cc1)Br 269982a_100000219632_200000210301 [0,1,0,0,1,0|2,0,0]=4 4761 B11R1.22 CCN(C)c1ccc(cc1)Br 34a_100000219623_100000210202 [0,1,0,0,1,0|2,0,0]=4 4762 B11R1.22 CCN(C)c1ccc(cc1)Br 34a_100000219632_200000210301 [0,1,0,0,1,0|2,0,0]=4 4763 B11R1.22 CCN(C)c1ccc(cc1)C 2230a_100000219977_100000210202 [0,1,0,0,1,0|2,0,0]=4 4764 B11R1.22 CCN(C)c1ccc(cc1)C 2230a_100000219985_200000210301 [0,1,0,0,1,0|2,0,0]=4 4765 B11R1.22 CCN(C)c1ccc(cc1)C 269982a_100000219977_100000204670 [0,1,0,0,1,0|2,0,0]=4 4766 B11R1.22 CCN(C)c1ccc(cc1)C 269982a_100000219985_200000210301 [0,1,0,0,1,0|2,0,0]=4 4767 B11R1.22 CCN(C)c1ccc(cc1)C 34a_100000219977_100000210202 [0,1,0,0,1,0|2,0,0]=4 4768 B11R1.22 CCN(C)c1ccc(cc1)C 34a_100000219985_200000210301 [0,1,0,0,1,0|2,0,0]=4 4769 B11R1.22 CCN(C)c1ccc(cc1)Cl 2230a_100000220165_200000210301 [0,1,0,0,1,0|2,0,0]=4 4770 B11R1.22 CCN(C)c1ccc(cc1)Cl 2230a_100020629279_100000210202 [0,1,0,0,1,0|2,0,0]=4 4771 B11R1.22 CCN(C)c1ccc(cc1)Cl 269982a_100000220165_200000210301 [0,1,0,0,1,0|2,0,0]=4 4772 B11R1.22 CCN(C)c1ccc(cc1)Cl 269982a_100020629279_100000204670 [0,1,0,0,1,0|2,0,0]=4 4773 B11R1.22 CCN(C)c1ccc(cc1)Cl 34a_100000220165_200000210301 [0,1,0,0,1,0|2,0,0]=4 4774 B11R1.22 CCN(C)c1ccc(cc1)Cl 34a_100020629279_100000210202 [0,1,0,0,1,0|2,0,0]=4 4775 B11R1.22 CCN(C)c1ccc(cc1)F 2230a_100000219829_100000210202 [0,1,0,0,1,0|2,0,0]=4 4776 B11R1.22 CCN(C)c1ccc(cc1)F 2230a_100102640331_200000210301 [0,1,0,0,1,0|2,0,0]=4 4777 B11R1.22 CCN(C)c1ccc(cc1)F 269982a_100000219829_100000204670 [0,1,0,0,1,0|2,0,0]=4 4778 B11R1.22 CCN(C)c1ccc(cc1)F 269982a_100102640331_200000210301 [0,1,0,0,1,0|2,0,0]=4 4779 B11R1.22 CCN(C)c1ccc(cc1)F 34a_100000219829_100000210202 [0,1,0,0,1,0|2,0,0]=4 4780 B11R1.22 CCN(C)c1ccc(cc1)F 34a_100102640331_200000210301 [0,1,0,0,1,0|2,0,0]=4 4781 B11R1.22 CCN(C)c1ccc(cc1)I 2230a_100000743151_100000210202 [0,1,0,0,1,0|2,0,0]=4 4782 B11R1.22 CCN(C)c1ccc(cc1)I 269982a_100000743151_100000204670 [0,1,0,0,1,0|2,0,0]=4 4783 B11R1.22 CCN(C)c1ccc(cc1)I 34a_100000743151_100000210202 [0,1,0,0,1,0|2,0,0]=4 4784 B11R1.22 CCN(C)c1ccc(cc1)O 2230a_100011337800_200000210301 [0,1,0,0,1,0|2,0,0]=4 4785 B11R1.22 CCN(C)c1ccc(cc1)O 269982a_100000182112_100000204670 [0,1,0,0,1,0|2,0,0]=4 4786 B11R1.22 CCN(C)c1ccc(cc1)O 269982a_100011337800_200000210301 [0,1,0,0,1,0|2,0,0]=4 4787 B11R1.22 CCN(C)c1ccc(cc1)O 34a_100000182112_100000210202 [0,1,0,0,1,0|2,0,0]=4 4788 B11R1.22 CCN(C)c1ccc(cc1)O 34a_100011337800_200000210301 [0,1,0,0,1,0|2,0,0]=4 4789 B11R1.22 CCN([13CH3])c1ccc(cc1)Br 2230a_100000219632_200025704644 [0,1,0,0,1,0|2,0,0]=4 4790 B11R1.22 CCN([13CH3])c1ccc(cc1)Br 269982a_100000219632_200025704644 [0,1,0,0,1,0|2,0,0]=4 4791 B11R1.22 CCN([13CH3])c1ccc(cc1)Br 34a_100000219632_200025704644 [0,1,0,0,1,0|2,0,0]=4 4792 B11R1.22 CCN([13CH3])c1ccc(cc1)C 2230a_100000219985_200025704644 [0,1,0,0,1,0|2,0,0]=4 4793 B11R1.22 CCN([13CH3])c1ccc(cc1)C 269982a_100000219985_200025704644 [0,1,0,0,1,0|2,0,0]=4 4794 B11R1.22 CCN([13CH3])c1ccc(cc1)C 34a_100000219985_200025704644 [0,1,0,0,1,0|2,0,0]=4 4795 B11R1.22 CCN([13CH3])c1ccc(cc1)Cl 2230a_100000220165_200025704644 [0,1,0,0,1,0|2,0,0]=4 4796 B11R1.22 CCN([13CH3])c1ccc(cc1)Cl 269982a_100000220165_200025704644 [0,1,0,0,1,0|2,0,0]=4 4797 B11R1.22 CCN([13CH3])c1ccc(cc1)Cl 34a_100000220165_200025704644 [0,1,0,0,1,0|2,0,0]=4 4798 B11R1.22 CCN([13CH3])c1ccc(cc1)F 2230a_100102640331_200025704644 [0,1,0,0,1,0|2,0,0]=4 4799 B11R1.22 CCN([13CH3])c1ccc(cc1)F 269982a_100102640331_200025704644 [0,1,0,0,1,0|2,0,0]=4 4800 B11R1.22 CCN([13CH3])c1ccc(cc1)F 34a_100102640331_200025704644 [0,1,0,0,1,0|2,0,0]=4 4801 B11R1.22 CCN([13CH3])c1ccc(cc1)O 2230a_100011337800_200025704644 [0,1,0,0,1,0|2,0,0]=4 4802 B11R1.22 CCN([13CH3])c1ccc(cc1)O 269982a_100011337800_200025704644 [0,1,0,0,1,0|2,0,0]=4 4803 B11R1.22 CCN([13CH3])c1ccc(cc1)O 34a_100011337800_200025704644 [0,1,0,0,1,0|2,0,0]=4 4804 B11R1.22 CC[C@H](N)c1ccc(cc1)O 271570a_203496583355_100025736560 [0,1,0,0,1,0|2,0,0]=4 4805 B11R1.22 CNC(=O)c1ccc(cc1)Br 11a_106832991635_100000185839 [0,1,0,0,1,0|1,0,1]=4 4806 B11R1.22 CNC(=O)c1ccc(cc1)Br 1626a_100102657272_100000185839 [0,1,0,0,1,0|1,0,1]=4 4807 B11R1.22 CNC(=O)c1ccc(cc1)Br 240690a_100102657272_100000185839 [0,1,0,0,1,0|1,0,1]=4 4808 B11R1.22 CNC(=O)c1ccc(cc1)Br 527a_100102657272_100000185839 [0,1,0,0,1,0|1,0,1]=4 4809 B11R1.22 CNC(=O)c1ccc(cc1)C 11a_106832991635_100000188618 [0,1,0,0,1,0|1,0,1]=4 4810 B11R1.22 CNC(=O)c1ccc(cc1)C 1626a_100102657272_100000188618 [0,1,0,0,1,0|1,0,1]=4 4811 B11R1.22 CNC(=O)c1ccc(cc1)C 240690a_100102657272_100000188618 [0,1,0,0,1,0|1,0,1]=4 4812 B11R1.22 CNC(=O)c1ccc(cc1)C 527a_100102657272_100000188618 [0,1,0,0,1,0|1,0,1]=4 4813 B11R1.22 CNC(=O)c1ccc(cc1)Cl 11a_106832991635_100000210187 [0,1,0,0,1,0|1,0,1]=4 4814 B11R1.22 CNC(=O)c1ccc(cc1)Cl 1626a_100102657272_100000210187 [0,1,0,0,1,0|1,0,1]=4 4815 B11R1.22 CNC(=O)c1ccc(cc1)Cl 240690a_100102657272_100000210187 [0,1,0,0,1,0|1,0,1]=4 4816 B11R1.22 CNC(=O)c1ccc(cc1)Cl 527a_100102657272_100000210187 [0,1,0,0,1,0|1,0,1]=4 4817 B11R1.22 CNC(=O)c1ccc(cc1)F 11a_106832991635_100000187176 [0,1,0,0,1,0|1,0,1]=4 4818 B11R1.22 CNC(=O)c1ccc(cc1)F 1626a_100102657272_100000187176 [0,1,0,0,1,0|1,0,1]=4 4819 B11R1.22 CNC(=O)c1ccc(cc1)F 240690a_100102657272_100000187176 [0,1,0,0,1,0|1,0,1]=4 4820 B11R1.22 CNC(=O)c1ccc(cc1)F 527a_100102657272_100000187176 [0,1,0,0,1,0|1,0,1]=4 4821 B11R1.22 CNC(=O)c1ccc(cc1)I 11a_106832991635_100000187904 [0,1,0,0,1,0|1,0,1]=4 4822 B11R1.22 CNC(=O)c1ccc(cc1)I 1626a_100102657272_100000187904 [0,1,0,0,1,0|1,0,1]=4 4823 B11R1.22 CNC(=O)c1ccc(cc1)I 240690a_100102657272_100000187904 [0,1,0,0,1,0|1,0,1]=4 4824 B11R1.22 CNC(=O)c1ccc(cc1)I 527a_100102657272_100000187904 [0,1,0,0,1,0|1,0,1]=4 4825 B11R1.22 CNC(=O)c1ccc(cc1)O 240690a_100102657272_100000212099 [0,1,0,0,1,0|1,0,1]=4 4826 B11R1.22 CNC(=O)c1ccc(cc1)O 271570a_203496583355_100000155074 [0,1,0,0,1,0|1,0,1]=4 4827 B11R1.22 CNC(=O)c1ccc(cc1)O 527a_100102657272_100000212099 [0,1,0,0,1,0|1,0,1]=4 4828 B11R1.22 CNC(C)c1cc[n+](cc1)[O-] 269862a_106832991636_100000076990 [0,1,0,0,1,0|1,0,0]=3 4829 B11R1.22 CNC(C)c1ccc(cc1)Br 2230a_106832991635_100000755118 [0,1,0,0,1,0|0,0,0]=2 4830 B11R1.22 CNC(C)c1ccc(cc1)Br 269862a_106832991636_100000185794 [0,1,0,0,1,0|0,0,0]=2 4831 B11R1.22 CNC(C)c1ccc(cc1)Br 34a_100102657272_100000755118 [0,1,0,0,1,0|0,0,0]=2 4832 B11R1.22 CNC(C)c1ccc(cc1)C 2230a_106832991635_100011261388 [0,1,0,0,1,0|0,0,0]=2 4833 B11R1.22 CNC(C)c1ccc(cc1)C 269862a_106832991636_100000185793 [0,1,0,0,1,0|0,0,0]=2 4834 B11R1.22 CNC(C)c1ccc(cc1)C 34a_100102657272_100011261388 [0,1,0,0,1,0|0,0,0]=2 4835 B11R1.22 CNC(C)c1ccc(cc1)C 7a_106832991635_100011261388 [0,1,0,0,1,0|0,0,0]=2 4836 B11R1.22 CNC(C)c1ccc(cc1)Cl 2230a_106832991635_100000684792 [0,1,0,0,1,0|0,0,0]=2 4837 B11R1.22 CNC(C)c1ccc(cc1)Cl 269862a_106832991636_100000185797 [0,1,0,0,1,0|0,0,0]=2 4838 B11R1.22 CNC(C)c1ccc(cc1)Cl 7a_106832991635_100000684792 [0,1,0,0,1,0|0,0,0]=2 4839 B11R1.22 CNC(C)c1ccc(cc1)F 2230a_106832991635_100000743420 [0,1,0,0,1,0|0,0,0]=2 4840 B11R1.22 CNC(C)c1ccc(cc1)F 269862a_106832991636_100000185800 [0,1,0,0,1,0|0,0,0]=2 4841 B11R1.22 CNC(C)c1ccc(cc1)F 34a_100102657272_100000743420 [0,1,0,0,1,0|0,0,0]=2 4842 B11R1.22 CNC(C)c1ccc(cc1)F 7a_106832991635_100000743420 [0,1,0,0,1,0|0,0,0]=2 4843 B11R1.22 CNC(C)c1ccc(cc1)I 269862a_106832991636_100000185465 [0,1,0,0,1,0|0,0,0]=2 4844 B11R1.22 CNC(C)c1ccc(cc1)O 271570a_203496583355_100000231103 [0,1,0,0,1,0|0,0,0]=2 4845 B11R1.22 CNC(C)c1ccc(cn1)Br 2230a_100000723930_200000210301 [0,1,0,0,1,0|1,0,0]=3 4846 B11R1.22 CNC(C)c1ccc(cn1)Br 269862a_106832991636_100000686046 [0,1,0,0,1,0|1,0,0]=3 4847 B11R1.22 CNC(C)c1ccc(cn1)Br 270004a_106832991635_100000686046 [0,1,0,0,1,0|1,0,0]=3 4848 B11R1.22 CNC(C)c1ccc(cn1)C 269862a_106832991636_100000084104 [0,1,0,0,1,0|1,0,0]=3 4849 B11R1.22 CNC(C)c1ccc(cn1)C 270004a_106832991635_100000084104 [0,1,0,0,1,0|1,0,0]=3 4850 B11R1.22 CNC(C)c1ccc(cn1)Cl 269862a_106832991636_100000692432 [0,1,0,0,1,0|1,0,0]=3 4851 B11R1.22 CNC(C)c1ccc(cn1)Cl 270004a_106832991635_100000692432 [0,1,0,0,1,0|1,0,0]=3 4852 B11R1.22 CNC(C)c1ccc(cn1)F 269862a_106832991636_100102946652 [0,1,0,0,1,0|1,0,0]=3 4853 B11R1.22 CNC(C)c1ccc(cn1)F 270004a_106832991635_100102946652 [0,1,0,0,1,0|1,0,0]=3 4854 B11R1.22 CNC(C)c1ccc(nc1)Br 269862a_106832991636_100000684857 [0,1,0,0,1,0|1,0,0]=3 4855 B11R1.22 CNC(C)c1ccc(nc1)C 2230a_100011815741_200000210301 [0,1,0,0,1,0|1,0,0]=3 4856 B11R1.22 CNC(C)c1ccc(nc1)C 269862a_106832991636_100011280547 [0,1,0,0,1,0|1,0,0]=3 4857 B11R1.22 CNC(C)c1ccc(nc1)C 34a_100011815741_200000210301 [0,1,0,0,1,0|1,0,0]=3 4858 B11R1.22 CNC(C)c1ccc(nc1)Cl 269862a_106832991636_100000690552 [0,1,0,0,1,0|1,0,0]=3 4859 B11R1.22 CNC(C)c1ccc(nc1)F 269862a_106832991636_100000085738 [0,1,0,0,1,0|1,0,0]=3 4860 B11R1.22 CNC(C)c1cnc(cn1)Cl 269862a_106832991636_100009883172 [0,1,0,0,1,0|2,0,0]=4 4861 B11R1.22 CNC(C)c1cnc(cn1)Cl 270004a_106832991635_100009883172 [0,1,0,0,1,0|2,0,0]=4 4862 B11R1.22 CNC(C)c1ncc(cn1)Br 269862a_106832991636_100010077182 [0,1,0,0,1,0|2,0,0]=4 4863 B11R1.22 CNC(C)c1ncc(cn1)Br 270004a_106832991635_100010077182 [0,1,0,0,1,0|2,0,0]=4 4864 B11R1.22 CNC(C)c1ncc(cn1)F 269862a_106832991636_200009841639 [0,1,0,0,1,0|2,0,0]=4 4865 B11R1.22 CNC(C)c1ncc(cn1)F 270004a_106832991635_200009841639 [0,1,0,0,1,0|2,0,0]=4 4866 B11R1.22 CN[C@@H](C)c1ccc(cc1)F 2230a_100025705893_200000210301 [0,1,0,0,1,0|0,0,0]=2 4867 B11R1.22 CN[C@@H](C)c1ccc(cc1)F 34a_100025705893_200000210301 [0,1,0,0,1,0|0,0,0]=2 4868 B11R1.22 CN[C@@H](C)c1ccc(cc1)I 2230a_100000753911_200000210301 [0,1,0,0,1,0|0,0,0]=2 4869 B11R1.22 CN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_200000210301 [0,1,0,0,1,0|0,0,0]=2 4870 B11R1.22 CN[C@@H](C)c1ccc(nc1)Br 2230a_100015387476_200000210301 [0,1,0,0,1,0|1,0,0]=3 4871 B11R1.22 CN[C@H](C)c1ccc(cc1)Br 2230a_100000720352_200000210301 [0,1,0,0,1,0|0,0,0]=2 4872 B11R1.22 CN[C@H](C)c1ccc(cc1)C 2230a_100016988085_200000210301 [0,1,0,0,1,0|0,0,0]=2 4873 B11R1.22 CN[C@H](C)c1ccc(cc1)C 34a_100016988085_200000210301 [0,1,0,0,1,0|0,0,0]=2 4874 B11R1.22 CN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_200000210301 [0,1,0,0,1,0|0,0,0]=2 4875 B11R1.22 CN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_200000210301 [0,1,0,0,1,0|0,0,0]=2 4876 B11R1.22 COC(C)c1ccc(cc1)Br 34a_100000745893_200000210301 [0,1,0,0,1,0|1,0,0]=3 4877 B11R1.22 COC(C)c1ccc(cc1)Br 34a_100138415774_100000755118 [0,1,0,0,1,0|1,0,0]=3 4878 B11R1.22 COC(C)c1ccc(cc1)Br 7a_100000745893_200000210301 [0,1,0,0,1,0|1,0,0]=3 4879 B11R1.22 COC(C)c1ccc(cc1)C 34a_100138415774_100011261388 [0,1,0,0,1,0|1,0,0]=3 4880 B11R1.22 COC(C)c1ccc(cc1)F 34a_100000181323_200000210301 [0,1,0,0,1,0|1,0,0]=3 4881 B11R1.22 COC(C)c1ccc(cc1)F 34a_100138415774_100000743420 [0,1,0,0,1,0|1,0,0]=3 4882 B11R1.22 COC(C)c1ccc(cc1)F 7a_100000181323_200000210301 [0,1,0,0,1,0|1,0,0]=3 4883 B11R1.22 COC(C)c1ccc(cc1)N 34a_100011216399_200000210301 [0,1,0,0,1,0|1,0,0]=3 4884 B11R1.22 COC(C)c1ccc(cc1)O 271570a_203496583355_100010254937 [0,1,0,0,1,0|1,0,0]=3 4885 B11R1.22 COC(C)c1ccc(cn1)Br 34a_100012353650_200000210301 [0,1,0,0,1,0|2,0,0]=4 4886 B11R1.22 COC(C)c1ccc(cn1)Br 7a_100012353650_200000210301 [0,1,0,0,1,0|2,0,0]=4 4887 B11R1.22 COC(C)c1ccc(nc1)Br 34a_200010274204_200000210301 [0,1,0,0,1,0|2,0,0]=4 4888 B11R1.22 COC(C)c1ccc(nc1)Br 7a_200010274204_200000210301 [0,1,0,0,1,0|2,0,0]=4 4889 B11R1.22 COC(C)c1ccc(nc1)C 34a_200011815720_200000210301 [0,1,0,0,1,0|2,0,0]=4 4890 B11R1.22 COC(C)c1ccc(nc1)C 7a_200011815720_200000210301 [0,1,0,0,1,0|2,0,0]=4 4891 B11R1.22 COC(C)c1ccc(nc1)Cl 34a_200012017543_200000210301 [0,1,0,0,1,0|2,0,0]=4 4892 B11R1.22 COC(C)c1ccc(nc1)Cl 7a_200012017543_200000210301 [0,1,0,0,1,0|2,0,0]=4 4893 B11R1.22 CO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_200000210301 [0,1,0,0,1,0|1,0,0]=3 4894 B11R1.22 CO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_200000210301 [0,1,0,0,1,0|1,0,0]=3 4895 B11R1.22 CO[C@H](C)c1ccc(cc1)C 34a_100000690690_200000210301 [0,1,0,0,1,0|1,0,0]=3 4896 B11R1.22 CO[C@H](C)c1ccc(cc1)C 7a_100000690690_200000210301 [0,1,0,0,1,0|1,0,0]=3 4897 B11R1.22 CSC(C)c1ccc(cc1)Br 62a_100000755118_200000210301 [0,1,0,0,1,0|1,0,0]=3 4898 B11R1.22 CSC(C)c1ccc(cc1)Br 62a_200000210301_100000755118 [0,1,0,0,1,0|1,0,0]=3 4899 B11R1.22 CSC(C)c1ccc(cc1)C 62a_100011261388_200000210301 [0,1,0,0,1,0|1,0,0]=3 4900 B11R1.22 CSC(C)c1ccc(cc1)C 62a_200000210301_100011261388 [0,1,0,0,1,0|1,0,0]=3 4901 B11R1.22 CSC(C)c1ccc(cc1)Cl 62a_100000684792_200000210301 [0,1,0,0,1,0|1,0,0]=3 4902 B11R1.22 CSC(C)c1ccc(cc1)Cl 62a_200000210301_100000684792 [0,1,0,0,1,0|1,0,0]=3 4903 B11R1.22 CSC(C)c1ccc(cc1)F 62a_100000743420_200000210301 [0,1,0,0,1,0|1,0,0]=3 4904 B11R1.22 CSC(C)c1ccc(cc1)F 62a_200000210301_100000743420 [0,1,0,0,1,0|1,0,0]=3 4905 B11R1.22 C[C@@H](N[13CH3])c1ccc(cc1)Br 2230a_100000720352_200025704644 [0,1,0,0,1,0|0,0,0]=2 4906 B11R1.22 C[C@@H](N[13CH3])c1ccc(cc1)Cl 2230a_100015205461_200025704644 [0,1,0,0,1,0|0,0,0]=2 4907 B11R1.22 C[C@@H](N[13CH3])c1ccc(cc1)Cl 34a_100015205461_200025704644 [0,1,0,0,1,0|0,0,0]=2 4908 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)F 2230a_100025705893_200025704644 [0,1,0,0,1,0|0,0,0]=2 4909 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)F 34a_100025705893_200025704644 [0,1,0,0,1,0|0,0,0]=2 4910 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)I 2230a_100000753911_200025704644 [0,1,0,0,1,0|0,0,0]=2 4911 B11R1.22 C[C@H](N[13CH3])c1ccc(cc1)O 2230a_100161106496_200025704644 [0,1,0,0,1,0|0,0,0]=2 4912 B11R1.22 C[C@H](N[13CH3])c1ccc(nc1)Br 2230a_100015387476_200025704644 [0,1,0,0,1,0|1,0,0]=3 4913 B11R1.22 C[C@H](O[13CH3])c1ccc(cc1)Cl 34a_100011852131_200025704644 [0,1,0,0,1,0|1,0,0]=3 4914 B11R1.22 C[C@H](O[13CH3])c1ccc(cc1)Cl 7a_100011852131_200025704644 [0,1,0,0,1,0|1,0,0]=3 4915 B11R1.22 Cc1ccc(cc1)C(C)S[13CH3] 62a_100011261388_200025704644 [0,1,0,0,1,0|1,0,0]=3 4916 B11R1.22 Cc1ccc(cc1)C(C)S[13CH3] 62a_200025704644_100011261388 [0,1,0,0,1,0|1,0,0]=3 4917 B11R1.22 Cc1ccc(cc1)[C@@H](C)N[13CH3] 2230a_100016988085_200025704644 [0,1,0,0,1,0|0,0,0]=2 4918 B11R1.22 Cc1ccc(cc1)[C@@H](C)N[13CH3] 34a_100016988085_200025704644 [0,1,0,0,1,0|0,0,0]=2 4919 B11R1.22 Cc1ccc(cc1)[C@@H](C)O[13CH3] 34a_100000690690_200025704644 [0,1,0,0,1,0|1,0,0]=3 4920 B11R1.22 Cc1ccc(cc1)[C@@H](C)O[13CH3] 7a_100000690690_200025704644 [0,1,0,0,1,0|1,0,0]=3 4921 B11R1.22 Cc1ccc(cn1)C(C)N[13CH3] 2230a_100011815741_200025704644 [0,1,0,0,1,0|1,0,0]=3 4922 B11R1.22 Cc1ccc(cn1)C(C)N[13CH3] 34a_100011815741_200025704644 [0,1,0,0,1,0|1,0,0]=3 4923 B11R1.22 Cc1ccc(cn1)C(C)O[13CH3] 34a_200011815720_200025704644 [0,1,0,0,1,0|2,0,0]=4 4924 B11R1.22 Cc1ccc(cn1)C(C)O[13CH3] 7a_200011815720_200025704644 [0,1,0,0,1,0|2,0,0]=4 4925 B11R1.22 [2H]C(OC)c1ccc(cc1)F 34a_217856618577_200000210301 [0,1,0,0,1,0|2,0,0]=4 4926 B11R1.22 [2H]C(OC)c1ccc(cc1)F 7a_217856618577_200000210301 [0,1,0,0,1,0|2,0,0]=4 4927 B11R1.22 [2H]C(O[13CH3])c1ccc(cc1)F 34a_217856618577_200025704644 [0,1,0,0,1,0|2,0,0]=4 4928 B11R1.22 [2H]C(O[13CH3])c1ccc(cc1)F 7a_217856618577_200025704644 [0,1,0,0,1,0|2,0,0]=4 4929 B11R1.23 CC(N[13CH3])c1cccc(c1)Br 2230a_100020642005_200025704644 [0,1,0,0,1,0|0,0,0]=2 4930 B11R1.23 CC(N[13CH3])c1cccc(c1)Cl 2230a_100102723534_200025704644 [0,1,0,0,1,0|0,0,0]=2 4931 B11R1.23 CC(N[13CH3])c1cccc(c1)Cl 34a_100102723534_200025704644 [0,1,0,0,1,0|0,0,0]=2 4932 B11R1.23 CC(N[13CH3])c1cccc(c1)O 2230a_100000740644_200025704644 [0,1,0,0,1,0|0,0,0]=2 4933 B11R1.23 CC(N[13CH3])c1cccc(n1)Br 2230a_200010173468_200025704644 [0,1,0,0,1,0|1,0,0]=3 4934 B11R1.23 CC(O[13CH3])c1cc(ccn1)Cl 7a_100000144657_200025704644 [0,1,0,0,1,0|2,0,0]=4 4935 B11R1.23 CC(O[13CH3])c1cccc(c1)Br 34a_100000246457_200025704644 [0,1,0,0,1,0|1,0,0]=3 4936 B11R1.23 CC(O[13CH3])c1cccc(c1)Br 7a_100000246457_200025704644 [0,1,0,0,1,0|1,0,0]=3 4937 B11R1.23 CC(O[13CH3])c1cccc(c1)F 34a_100000744526_200025704644 [0,1,0,0,1,0|1,0,0]=3 4938 B11R1.23 CC(O[13CH3])c1cccc(c1)F 7a_100000744526_200025704644 [0,1,0,0,1,0|1,0,0]=3 4939 B11R1.23 CC(O[13CH3])c1cccc(c1)I 34a_100013085317_200025704644 [0,1,0,0,1,0|1,0,0]=3 4940 B11R1.23 CC(O[13CH3])c1cccc(c1)I 7a_100013085317_200025704644 [0,1,0,0,1,0|1,0,0]=3 4941 B11R1.23 CC(O[13CH3])c1cccc(c1)N 34a_100011217120_200025704644 [0,1,0,0,1,0|1,0,0]=3 4942 B11R1.23 CC(O[13CH3])c1cccc(c1)N 7a_100011217120_200025704644 [0,1,0,0,1,0|1,0,0]=3 4943 B11R1.23 CC(O[13CH3])c1cccc(n1)Br 7a_100009820884_200025704644 [0,1,0,0,1,0|2,0,0]=4 4944 B11R1.23 CC(O[13CH3])c1cncc(c1)Br 34a_100012351597_200025704644 [0,1,0,0,1,0|2,0,0]=4 4945 B11R1.23 CC(O[13CH3])c1cncc(c1)Br 7a_100012351597_200025704644 [0,1,0,0,1,0|2,0,0]=4 4946 B11R1.23 CCC(O)c1cccc(c1)O 271570a_203496583355_200013212081 [0,1,0,0,1,0|2,0,0]=4 4947 B11R1.23 CCN(C)c1cccc(c1)Br 2230a_100000219648_100000210202 [0,1,0,0,1,0|2,0,0]=4 4948 B11R1.23 CCN(C)c1cccc(c1)Br 2230a_100000738899_200000210301 [0,1,0,0,1,0|2,0,0]=4 4949 B11R1.23 CCN(C)c1cccc(c1)Br 269982a_100000219648_100000204670 [0,1,0,0,1,0|2,0,0]=4 4950 B11R1.23 CCN(C)c1cccc(c1)Br 269982a_100000738899_200000210301 [0,1,0,0,1,0|2,0,0]=4 4951 B11R1.23 CCN(C)c1cccc(c1)Br 34a_100000219648_100000210202 [0,1,0,0,1,0|2,0,0]=4 4952 B11R1.23 CCN(C)c1cccc(c1)Br 34a_100000738899_200000210301 [0,1,0,0,1,0|2,0,0]=4 4953 B11R1.23 CCN(C)c1cccc(c1)C 2230a_100000182157_200000210301 [0,1,0,0,1,0|2,0,0]=4 4954 B11R1.23 CCN(C)c1cccc(c1)C 2230a_100000219674_100000210202 [0,1,0,0,1,0|2,0,0]=4 4955 B11R1.23 CCN(C)c1cccc(c1)C 269982a_100000182157_200000210301 [0,1,0,0,1,0|2,0,0]=4 4956 B11R1.23 CCN(C)c1cccc(c1)C 269982a_100000219674_100000204670 [0,1,0,0,1,0|2,0,0]=4 4957 B11R1.23 CCN(C)c1cccc(c1)C 34a_100000182157_200000210301 [0,1,0,0,1,0|2,0,0]=4 4958 B11R1.23 CCN(C)c1cccc(c1)C 34a_100000219674_100000210202 [0,1,0,0,1,0|2,0,0]=4 4959 B11R1.23 CCN(C)c1cccc(c1)C 7a_100000182157_200000210301 [0,1,0,0,1,0|2,0,0]=4 4960 B11R1.23 CCN(C)c1cccc(c1)Cl 2230a_100000220044_100000210202 [0,1,0,0,1,0|2,0,0]=4 4961 B11R1.23 CCN(C)c1cccc(c1)Cl 269982a_100000220044_100000204670 [0,1,0,0,1,0|2,0,0]=4 4962 B11R1.23 CCN(C)c1cccc(c1)Cl 34a_100000220044_100000210202 [0,1,0,0,1,0|2,0,0]=4 4963 B11R1.23 CCN(C)c1cccc(c1)F 2230a_100020633736_100000210202 [0,1,0,0,1,0|2,0,0]=4 4964 B11R1.23 CCN(C)c1cccc(c1)F 269982a_100020633736_100000204670 [0,1,0,0,1,0|2,0,0]=4 4965 B11R1.23 CCN(C)c1cccc(c1)F 34a_100020633736_100000210202 [0,1,0,0,1,0|2,0,0]=4 4966 B11R1.23 CCN(C)c1cccc(c1)I 2230a_100000221217_100000210202 [0,1,0,0,1,0|2,0,0]=4 4967 B11R1.23 CCN(C)c1cccc(c1)I 269982a_100000221217_100000204670 [0,1,0,0,1,0|2,0,0]=4 4968 B11R1.23 CCN(C)c1cccc(c1)I 34a_100000221217_100000210202 [0,1,0,0,1,0|2,0,0]=4 4969 B11R1.23 CCN(C)c1cccc(c1)O 2230a_100000717746_200000210301 [0,1,0,0,1,0|2,0,0]=4 4970 B11R1.23 CCN(C)c1cccc(c1)O 2230a_100000756613_100000210202 [0,1,0,0,1,0|2,0,0]=4 4971 B11R1.23 CCN(C)c1cccc(c1)O 269982a_100000717746_200000210301 [0,1,0,0,1,0|2,0,0]=4 4972 B11R1.23 CCN(C)c1cccc(c1)O 269982a_100000756613_100000204670 [0,1,0,0,1,0|2,0,0]=4 4973 B11R1.23 CCN(C)c1cccc(c1)O 34a_100000717746_200000210301 [0,1,0,0,1,0|2,0,0]=4 4974 B11R1.23 CCN(C)c1cccc(c1)O 34a_100000756613_100000210202 [0,1,0,0,1,0|2,0,0]=4 4975 B11R1.23 CCN([13CH3])c1cccc(c1)Br 2230a_100000738899_200025704644 [0,1,0,0,1,0|2,0,0]=4 4976 B11R1.23 CCN([13CH3])c1cccc(c1)Br 269982a_100000738899_200025704644 [0,1,0,0,1,0|2,0,0]=4 4977 B11R1.23 CCN([13CH3])c1cccc(c1)Br 34a_100000738899_200025704644 [0,1,0,0,1,0|2,0,0]=4 4978 B11R1.23 CCN([13CH3])c1cccc(c1)C 2230a_100000182157_200025704644 [0,1,0,0,1,0|2,0,0]=4 4979 B11R1.23 CCN([13CH3])c1cccc(c1)C 269982a_100000182157_200025704644 [0,1,0,0,1,0|2,0,0]=4 4980 B11R1.23 CCN([13CH3])c1cccc(c1)C 34a_100000182157_200025704644 [0,1,0,0,1,0|2,0,0]=4 4981 B11R1.23 CCN([13CH3])c1cccc(c1)C 7a_100000182157_200025704644 [0,1,0,0,1,0|2,0,0]=4 4982 B11R1.23 CCN([13CH3])c1cccc(c1)O 2230a_100000717746_200025704644 [0,1,0,0,1,0|2,0,0]=4 4983 B11R1.23 CCN([13CH3])c1cccc(c1)O 269982a_100000717746_200025704644 [0,1,0,0,1,0|2,0,0]=4 4984 B11R1.23 CCN([13CH3])c1cccc(c1)O 34a_100000717746_200025704644 [0,1,0,0,1,0|2,0,0]=4 4985 B11R1.23 CC[C@H](N)c1cccc(c1)O 271570a_203496583355_100102422761 [0,1,0,0,1,0|2,0,0]=4 4986 B11R1.23 CNC(=O)c1cccc(c1)Br 11a_106832991635_100000210664 [0,1,0,0,1,0|1,0,1]=4 4987 B11R1.23 CNC(=O)c1cccc(c1)Br 1626a_100102657272_100000210664 [0,1,0,0,1,0|1,0,1]=4 4988 B11R1.23 CNC(=O)c1cccc(c1)Br 240690a_100102657272_100000210664 [0,1,0,0,1,0|1,0,1]=4 4989 B11R1.23 CNC(=O)c1cccc(c1)Br 527a_100102657272_100000210664 [0,1,0,0,1,0|1,0,1]=4 4990 B11R1.23 CNC(=O)c1cccc(c1)C 11a_106832991635_100000189346 [0,1,0,0,1,0|1,0,1]=4 4991 B11R1.23 CNC(=O)c1cccc(c1)C 1626a_100102657272_100000189346 [0,1,0,0,1,0|1,0,1]=4 4992 B11R1.23 CNC(=O)c1cccc(c1)C 240690a_100102657272_100000189346 [0,1,0,0,1,0|1,0,1]=4 4993 B11R1.23 CNC(=O)c1cccc(c1)C 527a_100102657272_100000189346 [0,1,0,0,1,0|1,0,1]=4 4994 B11R1.23 CNC(=O)c1cccc(c1)Cl 11a_106832991635_100000210390 [0,1,0,0,1,0|1,0,1]=4 4995 B11R1.23 CNC(=O)c1cccc(c1)Cl 1626a_100102657272_100000210390 [0,1,0,0,1,0|1,0,1]=4 4996 B11R1.23 CNC(=O)c1cccc(c1)Cl 240690a_100102657272_100000210390 [0,1,0,0,1,0|1,0,1]=4 4997 B11R1.23 CNC(=O)c1cccc(c1)Cl 527a_100102657272_100000210390 [0,1,0,0,1,0|1,0,1]=4 4998 B11R1.23 CNC(=O)c1cccc(c1)F 11a_106832991635_100000210950 [0,1,0,0,1,0|1,0,1]=4 4999 B11R1.23 CNC(=O)c1cccc(c1)F 1626a_100102657272_100000210950 [0,1,0,0,1,0|1,0,1]=4 5000 B11R1.23 CNC(=O)c1cccc(c1)F 240690a_100102657272_100000210950 [0,1,0,0,1,0|1,0,1]=4 5001 B11R1.23 CNC(=O)c1cccc(c1)F 527a_100102657272_100000210950 [0,1,0,0,1,0|1,0,1]=4 5002 B11R1.23 CNC(=O)c1cccc(c1)I 11a_106832991635_100000184098 [0,1,0,0,1,0|1,0,1]=4 5003 B11R1.23 CNC(=O)c1cccc(c1)I 1626a_100102657272_100000184098 [0,1,0,0,1,0|1,0,1]=4 5004 B11R1.23 CNC(=O)c1cccc(c1)I 240690a_100102657272_100000184098 [0,1,0,0,1,0|1,0,1]=4 5005 B11R1.23 CNC(=O)c1cccc(c1)I 527a_100102657272_100000184098 [0,1,0,0,1,0|1,0,1]=4 5006 B11R1.23 CNC(=O)c1cccc(c1)O 240690a_100102657272_100000183914 [0,1,0,0,1,0|1,0,1]=4 5007 B11R1.23 CNC(=O)c1cccc(c1)O 271570a_203496583355_100000155082 [0,1,0,0,1,0|1,0,1]=4 5008 B11R1.23 CNC(=O)c1cccc(c1)O 527a_100102657272_100000183914 [0,1,0,0,1,0|1,0,1]=4 5009 B11R1.23 CNC(C)c1cc(ccn1)Br 269862a_106832991636_100000709912 [0,1,0,0,1,0|1,0,0]=3 5010 B11R1.23 CNC(C)c1cc(ccn1)Br 270004a_106832991635_100000709912 [0,1,0,0,1,0|1,0,0]=3 5011 B11R1.23 CNC(C)c1cc(ccn1)C 2230a_100011933787_200000210301 [0,1,0,0,1,0|1,0,0]=3 5012 B11R1.23 CNC(C)c1cc(ccn1)C 269862a_106832991636_100000728896 [0,1,0,0,1,0|1,0,0]=3 5013 B11R1.23 CNC(C)c1cc(ccn1)C 270004a_106832991635_100000728896 [0,1,0,0,1,0|1,0,0]=3 5014 B11R1.23 CNC(C)c1cc(ccn1)Cl 269862a_106832991636_100000099826 [0,1,0,0,1,0|1,0,0]=3 5015 B11R1.23 CNC(C)c1cc(ccn1)Cl 270004a_106832991635_100000099826 [0,1,0,0,1,0|1,0,0]=3 5016 B11R1.23 CNC(C)c1cc(ncn1)C 269862a_106832991636_100000092262 [0,1,0,0,1,0|2,0,0]=4 5017 B11R1.23 CNC(C)c1cccc(c1)Br 2230a_100020642005_200000210301 [0,1,0,0,1,0|0,0,0]=2 5018 B11R1.23 CNC(C)c1cccc(c1)Br 269862a_106832991636_100000210093 [0,1,0,0,1,0|0,0,0]=2 5019 B11R1.23 CNC(C)c1cccc(c1)C 269862a_106832991636_100000211476 [0,1,0,0,1,0|0,0,0]=2 5020 B11R1.23 CNC(C)c1cccc(c1)Cl 2230a_100102723534_200000210301 [0,1,0,0,1,0|0,0,0]=2 5021 B11R1.23 CNC(C)c1cccc(c1)Cl 269862a_106832991636_200000210964 [0,1,0,0,1,0|0,0,0]=2 5022 B11R1.23 CNC(C)c1cccc(c1)Cl 34a_100102723534_200000210301 [0,1,0,0,1,0|0,0,0]=2 5023 B11R1.23 CNC(C)c1cccc(c1)F 269862a_106832991636_100000187083 [0,1,0,0,1,0|0,0,0]=2 5024 B11R1.23 CNC(C)c1cccc(c1)I 269862a_106832991636_100011356966 [0,1,0,0,1,0|0,0,0]=2 5025 B11R1.23 CNC(C)c1cccc(c1)O 2230a_100000740644_200000210301 [0,1,0,0,1,0|0,0,0]=2 5026 B11R1.23 CNC(C)c1cccc(c1)O 269862a_106832991636_100000211620 [0,1,0,0,1,0|0,0,0]=2 5027 B11R1.23 CNC(C)c1cccc(c1)O 271570a_203496583355_100025717457 [0,1,0,0,1,0|0,0,0]=2 5028 B11R1.23 CNC(C)c1cccc(n1)Br 2230a_200010173468_200000210301 [0,1,0,0,1,0|1,0,0]=3 5029 B11R1.23 CNC(C)c1cccc(n1)Br 269862a_106832991636_100009816502 [0,1,0,0,1,0|1,0,0]=3 5030 B11R1.23 CNC(C)c1cccc(n1)C 2230a_100011877385_200000210301 [0,1,0,0,1,0|1,0,0]=3 5031 B11R1.23 CNC(C)c1cccc(n1)C 269862a_106832991636_100011877301 [0,1,0,0,1,0|1,0,0]=3 5032 B11R1.23 CNC(C)c1cccc(n1)Cl 269862a_106832991636_100000085735 [0,1,0,0,1,0|1,0,0]=3 5033 B11R1.23 CNC(C)c1cccc(n1)F 269862a_106832991636_100000092306 [0,1,0,0,1,0|1,0,0]=3 5034 B11R1.23 CNC(C)c1ccnc(c1)Br 269862a_106832991636_100010177706 [0,1,0,0,1,0|1,0,0]=3 5035 B11R1.23 CNC(C)c1ccnc(c1)C 269862a_106832991636_100011998260 [0,1,0,0,1,0|1,0,0]=3 5036 B11R1.23 CNC(C)c1ccnc(c1)Cl 269862a_106832991636_100000685609 [0,1,0,0,1,0|1,0,0]=3 5037 B11R1.23 CNC(C)c1cncc(c1)Br 269862a_106832991636_100011216243 [0,1,0,0,1,0|1,0,0]=3 5038 B11R1.23 CNC(C)c1cncc(c1)C 269862a_106832991636_100000702010 [0,1,0,0,1,0|1,0,0]=3 5039 B11R1.23 CNC(C)c1cncc(c1)F 269862a_106832991636_100000758212 [0,1,0,0,1,0|1,0,0]=3 5040 B11R1.23 CN[C@@H](C)c1cccc(n1)F 2230a_100025709760_200000210301 [0,1,0,0,1,0|1,0,0]=3 5041 B11R1.23 CN[C@@H](C)c1cccc(n1)F 34a_100025709760_200000210301 [0,1,0,0,1,0|1,0,0]=3 5042 B11R1.23 CN[C@H](C)c1cccc(c1)C 2230a_100000698126_200000210301 [0,1,0,0,1,0|0,0,0]=2 5043 B11R1.23 CN[C@H](C)c1cccc(c1)C 34a_100000698126_200000210301 [0,1,0,0,1,0|0,0,0]=2 5044 B11R1.23 CN[C@H](C)c1cccc(c1)F 2230a_100015193778_200000210301 [0,1,0,0,1,0|0,0,0]=2 5045 B11R1.23 CN[C@H](C)c1cccc(c1)F 34a_100015193778_200000210301 [0,1,0,0,1,0|0,0,0]=2 5046 B11R1.23 CN[C@H](C)c1cncc(c1)Br 2230a_100012350620_200000210301 [0,1,0,0,1,0|1,0,0]=3 5047 B11R1.23 COC(C)c1cc(ccn1)Cl 7a_100000144657_200000210301 [0,1,0,0,1,0|2,0,0]=4 5048 B11R1.23 COC(C)c1cccc(c1)Br 34a_100000246457_200000210301 [0,1,0,0,1,0|1,0,0]=3 5049 B11R1.23 COC(C)c1cccc(c1)Br 7a_100000246457_200000210301 [0,1,0,0,1,0|1,0,0]=3 5050 B11R1.23 COC(C)c1cccc(c1)C 34a_100000757818_200000210301 [0,1,0,0,1,0|1,0,0]=3 5051 B11R1.23 COC(C)c1cccc(c1)C 7a_100000757818_200000210301 [0,1,0,0,1,0|1,0,0]=3 5052 B11R1.23 COC(C)c1cccc(c1)F 34a_100000744526_200000210301 [0,1,0,0,1,0|1,0,0]=3 5053 B11R1.23 COC(C)c1cccc(c1)F 7a_100000744526_200000210301 [0,1,0,0,1,0|1,0,0]=3 5054 B11R1.23 COC(C)c1cccc(c1)I 34a_100013085317_200000210301 [0,1,0,0,1,0|1,0,0]=3 5055 B11R1.23 COC(C)c1cccc(c1)I 7a_100013085317_200000210301 [0,1,0,0,1,0|1,0,0]=3 5056 B11R1.23 COC(C)c1cccc(c1)N 34a_100011217120_200000210301 [0,1,0,0,1,0|1,0,0]=3 5057 B11R1.23 COC(C)c1cccc(c1)N 7a_100011217120_200000210301 [0,1,0,0,1,0|1,0,0]=3 5058 B11R1.23 COC(C)c1cccc(n1)Br 7a_100009820884_200000210301 [0,1,0,0,1,0|2,0,0]=4 5059 B11R1.23 COC(C)c1cccc(n1)C 34a_200011877368_200000210301 [0,1,0,0,1,0|2,0,0]=4 5060 B11R1.23 COC(C)c1cccc(n1)C 7a_200011877368_200000210301 [0,1,0,0,1,0|2,0,0]=4 5061 B11R1.23 COC(C)c1cncc(c1)Br 34a_100012351597_200000210301 [0,1,0,0,1,0|2,0,0]=4 5062 B11R1.23 COC(C)c1cncc(c1)Br 7a_100012351597_200000210301 [0,1,0,0,1,0|2,0,0]=4 5063 B11R1.23 CO[C@H](C)c1cccc(c1)Cl 34a_100000747380_200000210301 [0,1,0,0,1,0|1,0,0]=3 5064 B11R1.23 CO[C@H](C)c1cccc(c1)Cl 7a_100000747380_200000210301 [0,1,0,0,1,0|1,0,0]=3 5065 B11R1.23 C[C@@H](N[13CH3])c1cccc(c1)F 2230a_100015193778_200025704644 [0,1,0,0,1,0|0,0,0]=2 5066 B11R1.23 C[C@@H](N[13CH3])c1cccc(c1)F 34a_100015193778_200025704644 [0,1,0,0,1,0|0,0,0]=2 5067 B11R1.23 C[C@@H](N[13CH3])c1cncc(c1)Br 2230a_100012350620_200025704644 [0,1,0,0,1,0|1,0,0]=3 5068 B11R1.23 C[C@@H](O[13CH3])c1cccc(c1)Cl 34a_100000747380_200025704644 [0,1,0,0,1,0|1,0,0]=3 5069 B11R1.23 C[C@@H](O[13CH3])c1cccc(c1)Cl 7a_100000747380_200025704644 [0,1,0,0,1,0|1,0,0]=3 5070 B11R1.23 C[C@H](N[13CH3])c1cccc(n1)F 2230a_100025709760_200025704644 [0,1,0,0,1,0|1,0,0]=3 5071 B11R1.23 C[C@H](N[13CH3])c1cccc(n1)F 34a_100025709760_200025704644 [0,1,0,0,1,0|1,0,0]=3 5072 B11R1.23 Cc1cccc(c1)C(C)O[13CH3] 34a_100000757818_200025704644 [0,1,0,0,1,0|1,0,0]=3 5073 B11R1.23 Cc1cccc(c1)C(C)O[13CH3] 7a_100000757818_200025704644 [0,1,0,0,1,0|1,0,0]=3 5074 B11R1.23 Cc1cccc(c1)[C@@H](C)N[13CH3] 2230a_100000698126_200025704644 [0,1,0,0,1,0|0,0,0]=2 5075 B11R1.23 Cc1cccc(c1)[C@@H](C)N[13CH3] 34a_100000698126_200025704644 [0,1,0,0,1,0|0,0,0]=2 5076 B11R1.23 Cc1cccc(n1)C(C)N[13CH3] 2230a_100011877385_200025704644 [0,1,0,0,1,0|1,0,0]=3 5077 B11R1.23 Cc1cccc(n1)C(C)O[13CH3] 34a_200011877368_200025704644 [0,1,0,0,1,0|2,0,0]=4 5078 B11R1.23 Cc1cccc(n1)C(C)O[13CH3] 7a_200011877368_200025704644 [0,1,0,0,1,0|2,0,0]=4 5079 B11R1.23 Cc1ccnc(c1)C(C)N[13CH3] 2230a_100011933787_200025704644 [0,1,0,0,1,0|1,0,0]=3 5080 B11R1.222 CC(C#N)c1ccccc1O 271570a_203496583355_200010232107 [0,1,0,0,1,0|2,0,0]=4 5081 B11R1.222 CC(N[13CH3])c1ccccc1Br 2230a_100000181357_200025704644 [0,1,0,0,1,0|0,0,0]=2 5082 B11R1.222 CC(N[13CH3])c1ccccc1Cl 2230a_100000174978_200025704644 [0,1,0,0,1,0|0,0,0]=2 5083 B11R1.222 CC(N[13CH3])c1ccccc1Cl 34a_100000174978_200025704644 [0,1,0,0,1,0|0,0,0]=2 5084 B11R1.222 CC(N[13CH3])c1ccccc1F 2230a_100000181408_200025704644 [0,1,0,0,1,0|0,0,0]=2 5085 B11R1.222 CC(N[13CH3])c1ccccc1F 34a_100000181408_200025704644 [0,1,0,0,1,0|0,0,0]=2 5086 B11R1.222 CC(N[13CH3])c1cccnc1O 2230a_100159269580_200025704644 [0,1,0,0,1,0|1,0,0]=3 5087 B11R1.222 CC(N[13CH3])c1ncccc1Br 2230a_100159271932_200025704644 [0,1,0,0,1,0|1,0,0]=3 5088 B11R1.222 CC(O[13CH3])c1ccccc1Br 34a_100000702211_200025704644 [0,1,0,0,1,0|1,0,0]=3 5089 B11R1.222 CC(O[13CH3])c1ccccc1Br 7a_100000702211_200025704644 [0,1,0,0,1,0|1,0,0]=3 5090 B11R1.222 CC(O[13CH3])c1ccccc1Cl 34a_100000740796_200025704644 [0,1,0,0,1,0|1,0,0]=3 5091 B11R1.222 CC(O[13CH3])c1ccccc1Cl 7a_100000740796_200025704644 [0,1,0,0,1,0|1,0,0]=3 5092 B11R1.222 CC(O[13CH3])c1ccccc1F 34a_100000697922_200025704644 [0,1,0,0,1,0|1,0,0]=3 5093 B11R1.222 CC(O[13CH3])c1ccccc1F 7a_100000697922_200025704644 [0,1,0,0,1,0|1,0,0]=3 5094 B11R1.222 CC(O[13CH3])c1ccccc1N 7a_100011405641_200025704644 [0,1,0,0,1,0|1,0,0]=3 5095 B11R1.222 CC(O[13CH3])c1cccnc1Cl 34a_100009865335_200025704644 [0,1,0,0,1,0|2,0,0]=4 5096 B11R1.222 CC(O[13CH3])c1cccnc1Cl 7a_100009865335_200025704644 [0,1,0,0,1,0|2,0,0]=4 5097 B11R1.222 CC(O[13CH3])c1ccncc1F 34a_100012180158_200025704644 [0,1,0,0,1,0|2,0,0]=4 5098 B11R1.222 CC(S[13CH3])c1ccccc1Cl 62a_100000181259_200025704644 [0,1,0,0,1,0|1,0,0]=3 5099 B11R1.222 CC(S[13CH3])c1ccccc1Cl 62a_200025704644_100000181259 [0,1,0,0,1,0|1,0,0]=3 5100 B11R1.222 CC(S[13CH3])c1ccccc1F 62a_200000741388_200025704644 [0,1,0,0,1,0|1,0,0]=3 5101 B11R1.222 CC(S[13CH3])c1ccccc1F 62a_200025704644_200000741388 [0,1,0,0,1,0|1,0,0]=3 5102 B11R1.222 CCN(C)c1ccccc1Br 2230a_100020606079_100000210202 [0,1,0,0,1,0|2,0,0]=4 5103 B11R1.222 CCN(C)c1ccccc1Br 2230a_114873767003_200000210301 [0,1,0,0,1,0|2,0,0]=4 5104 B11R1.222 CCN(C)c1ccccc1Br 269982a_100020606079_100000204670 [0,1,0,0,1,0|2,0,0]=4 5105 B11R1.222 CCN(C)c1ccccc1Br 269982a_114873767003_200000210301 [0,1,0,0,1,0|2,0,0]=4 5106 B11R1.222 CCN(C)c1ccccc1Br 34a_100020606079_100000210202 [0,1,0,0,1,0|2,0,0]=4 5107 B11R1.222 CCN(C)c1ccccc1Br 34a_114873767003_200000210301 [0,1,0,0,1,0|2,0,0]=4 5108 B11R1.222 CCN(C)c1ccccc1C 2230a_100000211084_200000210301 [0,1,0,0,1,0|2,0,0]=4 5109 B11R1.222 CCN(C)c1ccccc1C 2230a_100000219699_100000210202 [0,1,0,0,1,0|2,0,0]=4 5110 B11R1.222 CCN(C)c1ccccc1C 269982a_100000211084_200000210301 [0,1,0,0,1,0|2,0,0]=4 5111 B11R1.222 CCN(C)c1ccccc1C 269982a_100000219699_100000204670 [0,1,0,0,1,0|2,0,0]=4 5112 B11R1.222 CCN(C)c1ccccc1C 34a_100000211084_200000210301 [0,1,0,0,1,0|2,0,0]=4 5113 B11R1.222 CCN(C)c1ccccc1C 34a_100000219699_100000210202 [0,1,0,0,1,0|2,0,0]=4 5114 B11R1.222 CCN(C)c1ccccc1Cl 2230a_100000219374_100000210202 [0,1,0,0,1,0|2,0,0]=4 5115 B11R1.222 CCN(C)c1ccccc1Cl 269982a_100000219374_100000204670 [0,1,0,0,1,0|2,0,0]=4 5116 B11R1.222 CCN(C)c1ccccc1Cl 34a_100000219374_100000210202 [0,1,0,0,1,0|2,0,0]=4 5117 B11R1.222 CCN(C)c1ccccc1F 2230a_100000220357_100000210202 [0,1,0,0,1,0|2,0,0]=4 5118 B11R1.222 CCN(C)c1ccccc1F 2230a_100000220365_200000210301 [0,1,0,0,1,0|2,0,0]=4 5119 B11R1.222 CCN(C)c1ccccc1F 269982a_100000220357_100000204670 [0,1,0,0,1,0|2,0,0]=4 5120 B11R1.222 CCN(C)c1ccccc1F 269982a_100000220365_200000210301 [0,1,0,0,1,0|2,0,0]=4 5121 B11R1.222 CCN(C)c1ccccc1F 34a_100000220357_100000210202 [0,1,0,0,1,0|2,0,0]=4 5122 B11R1.222 CCN(C)c1ccccc1F 34a_100000220365_200000210301 [0,1,0,0,1,0|2,0,0]=4 5123 B11R1.222 CCN(C)c1ccccc1F 38a_100000220357_100000204670 [0,1,0,0,1,0|2,0,0]=4 5124 B11R1.222 CCN(C)c1ccccc1O 269982a_100000033821_100000204670 [0,1,0,0,1,0|2,0,0]=4 5125 B11R1.222 CCN(C)c1ccccc1O 269982a_103624766699_200000210301 [0,1,0,0,1,0|2,0,0]=4 5126 B11R1.222 CCN([13CH3])c1ccccc1Br 2230a_114873767003_200025704644 [0,1,0,0,1,0|2,0,0]=4 5127 B11R1.222 CCN([13CH3])c1ccccc1Br 269982a_114873767003_200025704644 [0,1,0,0,1,0|2,0,0]=4 5128 B11R1.222 CCN([13CH3])c1ccccc1Br 34a_114873767003_200025704644 [0,1,0,0,1,0|2,0,0]=4 5129 B11R1.222 CCN([13CH3])c1ccccc1C 2230a_100000211084_200025704644 [0,1,0,0,1,0|2,0,0]=4 5130 B11R1.222 CCN([13CH3])c1ccccc1C 269982a_100000211084_200025704644 [0,1,0,0,1,0|2,0,0]=4 5131 B11R1.222 CCN([13CH3])c1ccccc1C 34a_100000211084_200025704644 [0,1,0,0,1,0|2,0,0]=4 5132 B11R1.222 CCN([13CH3])c1ccccc1F 2230a_100000220365_200025704644 [0,1,0,0,1,0|2,0,0]=4 5133 B11R1.222 CCN([13CH3])c1ccccc1F 269982a_100000220365_200025704644 [0,1,0,0,1,0|2,0,0]=4 5134 B11R1.222 CCN([13CH3])c1ccccc1F 34a_100000220365_200025704644 [0,1,0,0,1,0|2,0,0]=4 5135 B11R1.222 CCN([13CH3])c1ccccc1O 269982a_103624766699_200025704644 [0,1,0,0,1,0|2,0,0]=4 5136 B11R1.222 CNC(=O)c1ccccc1Br 11a_106832991635_100000188424 [0,1,0,0,1,0|1,0,1]=4 5137 B11R1.222 CNC(=O)c1ccccc1Br 1626a_100102657272_100000188424 [0,1,0,0,1,0|1,0,1]=4 5138 B11R1.222 CNC(=O)c1ccccc1Br 240690a_100102657272_100000188424 [0,1,0,0,1,0|1,0,1]=4 5139 B11R1.222 CNC(=O)c1ccccc1Br 527a_100102657272_100000188424 [0,1,0,0,1,0|1,0,1]=4 5140 B11R1.222 CNC(=O)c1ccccc1C 11a_106832991635_100000212026 [0,1,0,0,1,0|1,0,1]=4 5141 B11R1.222 CNC(=O)c1ccccc1C 1626a_100102657272_100000212026 [0,1,0,0,1,0|1,0,1]=4 5142 B11R1.222 CNC(=O)c1ccccc1C 240690a_100102657272_100000212026 [0,1,0,0,1,0|1,0,1]=4 5143 B11R1.222 CNC(=O)c1ccccc1C 527a_100102657272_100000212026 [0,1,0,0,1,0|1,0,1]=4 5144 B11R1.222 CNC(=O)c1ccccc1Cl 11a_106832991635_100000185844 [0,1,0,0,1,0|1,0,1]=4 5145 B11R1.222 CNC(=O)c1ccccc1Cl 1626a_100102657272_100000185844 [0,1,0,0,1,0|1,0,1]=4 5146 B11R1.222 CNC(=O)c1ccccc1Cl 240690a_100102657272_100000185844 [0,1,0,0,1,0|1,0,1]=4 5147 B11R1.222 CNC(=O)c1ccccc1Cl 527a_100102657272_100000185844 [0,1,0,0,1,0|1,0,1]=4 5148 B11R1.222 CNC(=O)c1ccccc1F 11a_106832991635_100000188656 [0,1,0,0,1,0|1,0,1]=4 5149 B11R1.222 CNC(=O)c1ccccc1F 1626a_100102657272_100000188656 [0,1,0,0,1,0|1,0,1]=4 5150 B11R1.222 CNC(=O)c1ccccc1F 240690a_100102657272_100000188656 [0,1,0,0,1,0|1,0,1]=4 5151 B11R1.222 CNC(=O)c1ccccc1F 527a_100102657272_100000188656 [0,1,0,0,1,0|1,0,1]=4 5152 B11R1.222 CNC(=O)c1ccccc1I 11a_106832991635_100000187884 [0,1,0,0,1,0|1,0,1]=4 5153 B11R1.222 CNC(=O)c1ccccc1I 1626a_100102657272_100000187884 [0,1,0,0,1,0|1,0,1]=4 5154 B11R1.222 CNC(=O)c1ccccc1I 240690a_100102657272_100000187884 [0,1,0,0,1,0|1,0,1]=4 5155 B11R1.222 CNC(=O)c1ccccc1I 527a_100102657272_100000187884 [0,1,0,0,1,0|1,0,1]=4 5156 B11R1.222 CNC(=O)c1ccccc1O 240690a_100102657272_100015234032 [0,1,0,0,1,0|1,0,1]=4 5157 B11R1.222 CNC(=O)c1ccccc1O 271570a_203496583355_100000155073 [0,1,0,0,1,0|1,0,1]=4 5158 B11R1.222 CNC(=O)c1ccccc1[O-] 1626a_100102657272_100009911694 [0,1,0,0,1,0|1,0,1]=4 5159 B11R1.222 CNC(=O)c1ccccc1[O-] 240690a_100102657272_100009911694 [0,1,0,0,1,0|1,0,1]=4 5160 B11R1.222 CNC(=O)c1ccccc1[O-] 527a_100102657272_100009911694 [0,1,0,0,1,0|1,0,1]=4 5161 B11R1.222 CNC(C)c1ccccc1Br 2230a_100000181357_200000210301 [0,1,0,0,1,0|0,0,0]=2 5162 B11R1.222 CNC(C)c1ccccc1Br 269862a_106832991636_100000187085 [0,1,0,0,1,0|0,0,0]=2 5163 B11R1.222 CNC(C)c1ccccc1C 2230a_100000181355_200000210301 [0,1,0,0,1,0|0,0,0]=2 5164 B11R1.222 CNC(C)c1ccccc1C 269862a_106832991636_100000211656 [0,1,0,0,1,0|0,0,0]=2 5165 B11R1.222 CNC(C)c1ccccc1C 34a_100000181355_200000210301 [0,1,0,0,1,0|0,0,0]=2 5166 B11R1.222 CNC(C)c1ccccc1Cl 2230a_100000174978_200000210301 [0,1,0,0,1,0|0,0,0]=2 5167 B11R1.222 CNC(C)c1ccccc1Cl 2230a_106832991635_100000181259 [0,1,0,0,1,0|0,0,0]=2 5168 B11R1.222 CNC(C)c1ccccc1Cl 269862a_106832991636_100000210134 [0,1,0,0,1,0|0,0,0]=2 5169 B11R1.222 CNC(C)c1ccccc1Cl 34a_100000174978_200000210301 [0,1,0,0,1,0|0,0,0]=2 5170 B11R1.222 CNC(C)c1ccccc1Cl 7a_106832991635_100000181259 [0,1,0,0,1,0|0,0,0]=2 5171 B11R1.222 CNC(C)c1ccccc1F 2230a_100000181408_200000210301 [0,1,0,0,1,0|0,0,0]=2 5172 B11R1.222 CNC(C)c1ccccc1F 2230a_106832991635_200000741388 [0,1,0,0,1,0|0,0,0]=2 5173 B11R1.222 CNC(C)c1ccccc1F 269862a_106832991636_100000210632 [0,1,0,0,1,0|0,0,0]=2 5174 B11R1.222 CNC(C)c1ccccc1F 34a_100000181408_200000210301 [0,1,0,0,1,0|0,0,0]=2 5175 B11R1.222 CNC(C)c1ccccc1F 34a_100102657272_200000741388 [0,1,0,0,1,0|0,0,0]=2 5176 B11R1.222 CNC(C)c1ccccc1F 7a_106832991635_200000741388 [0,1,0,0,1,0|0,0,0]=2 5177 B11R1.222 CNC(C)c1ccccc1I 269862a_106832991636_100000751169 [0,1,0,0,1,0|0,0,0]=2 5178 B11R1.222 CNC(C)c1ccccc1O 271570a_203496583355_100000692418 [0,1,0,0,1,0|0,0,0]=2 5179 B11R1.222 CNC(C)c1cccnc1C 269862a_106832991636_100011995960 [0,1,0,0,1,0|1,0,0]=3 5180 B11R1.222 CNC(C)c1cccnc1O 2230a_100159269580_200000210301 [0,1,0,0,1,0|1,0,0]=3 5181 B11R1.222 CNC(C)c1ccncc1Br 269862a_106832991636_100009993184 [0,1,0,0,1,0|1,0,0]=3 5182 B11R1.222 CNC(C)c1ccncc1Cl 269862a_106832991636_100012001414 [0,1,0,0,1,0|1,0,0]=3 5183 B11R1.222 CNC(C)c1ccncc1F 269862a_106832991636_100000727669 [0,1,0,0,1,0|1,0,0]=3 5184 B11R1.222 CNC(C)c1cnccc1C 269862a_106832991636_100000693228 [0,1,0,0,1,0|1,0,0]=3 5185 B11R1.222 CNC(C)c1cnccc1Cl 269862a_106832991636_100160469449 [0,1,0,0,1,0|1,0,0]=3 5186 B11R1.222 CNC(C)c1ncccc1Br 2230a_100159271932_200000210301 [0,1,0,0,1,0|1,0,0]=3 5187 B11R1.222 CNC(C)c1ncccc1Br 269862a_106832991636_100012348690 [0,1,0,0,1,0|1,0,0]=3 5188 B11R1.222 CNC(C)c1ncccc1C 2230a_100011536111_200000210301 [0,1,0,0,1,0|1,0,0]=3 5189 B11R1.222 CNC(C)c1ncccc1C 269862a_106832991636_100011536074 [0,1,0,0,1,0|1,0,0]=3 5190 B11R1.222 CNC(C)c1ncccc1Cl 269862a_106832991636_100015267551 [0,1,0,0,1,0|1,0,0]=3 5191 B11R1.222 CNC(C)c1ncccc1F 269862a_106832991636_100011997767 [0,1,0,0,1,0|1,0,0]=3 5192 B11R1.222 CNC(C)c1ncccc1I 269862a_106832991636_200015599370 [0,1,0,0,1,0|1,0,0]=3 5193 B11R1.222 CNC(C)c1nccnc1C 269862a_106832991636_100000702048 [0,1,0,0,1,0|2,0,0]=4 5194 B11R1.222 CNC(C)c1nccnc1Cl 269862a_106832991636_100000099859 [0,1,0,0,1,0|2,0,0]=4 5195 B11R1.222 CN[C@H](C)c1ccccc1O 2230a_100025703389_200000210301 [0,1,0,0,1,0|0,0,0]=2 5196 B11R1.222 COC(C)c1ccccc1Br 34a_100000702211_200000210301 [0,1,0,0,1,0|1,0,0]=3 5197 B11R1.222 COC(C)c1ccccc1Br 7a_100000702211_200000210301 [0,1,0,0,1,0|1,0,0]=3 5198 B11R1.222 COC(C)c1ccccc1C 34a_100000742021_200000210301 [0,1,0,0,1,0|1,0,0]=3 5199 B11R1.222 COC(C)c1ccccc1C 7a_100000742021_200000210301 [0,1,0,0,1,0|1,0,0]=3 5200 B11R1.222 COC(C)c1ccccc1Cl 34a_100000740796_200000210301 [0,1,0,0,1,0|1,0,0]=3 5201 B11R1.222 COC(C)c1ccccc1Cl 7a_100000740796_200000210301 [0,1,0,0,1,0|1,0,0]=3 5202 B11R1.222 COC(C)c1ccccc1F 34a_100000697922_200000210301 [0,1,0,0,1,0|1,0,0]=3 5203 B11R1.222 COC(C)c1ccccc1F 34a_100138415774_200000741388 [0,1,0,0,1,0|1,0,0]=3 5204 B11R1.222 COC(C)c1ccccc1F 7a_100000697922_200000210301 [0,1,0,0,1,0|1,0,0]=3 5205 B11R1.222 COC(C)c1ccccc1N 7a_100011405641_200000210301 [0,1,0,0,1,0|1,0,0]=3 5206 B11R1.222 COC(C)c1cccnc1Cl 34a_100009865335_200000210301 [0,1,0,0,1,0|2,0,0]=4 5207 B11R1.222 COC(C)c1cccnc1Cl 7a_100009865335_200000210301 [0,1,0,0,1,0|2,0,0]=4 5208 B11R1.222 COC(C)c1ccncc1F 34a_100012180158_200000210301 [0,1,0,0,1,0|2,0,0]=4 5209 B11R1.222 CO[C@@H](C)c1ncccc1Br 7a_100013325542_200000210301 [0,1,0,0,1,0|2,0,0]=4 5210 B11R1.222 CO[C@@H](C)c1ncccc1O 271570a_203496583355_106256553109 [0,1,0,0,1,0|2,0,0]=4 5211 B11R1.222 CSC(C)c1ccccc1Cl 62a_100000181259_200000210301 [0,1,0,0,1,0|1,0,0]=3 5212 B11R1.222 CSC(C)c1ccccc1Cl 62a_200000210301_100000181259 [0,1,0,0,1,0|1,0,0]=3 5213 B11R1.222 CSC(C)c1ccccc1F 62a_200000210301_200000741388 [0,1,0,0,1,0|1,0,0]=3 5214 B11R1.222 CSC(C)c1ccccc1F 62a_200000741388_200000210301 [0,1,0,0,1,0|1,0,0]=3 5215 B11R1.222 C[C@@H](N[13CH3])c1ccccc1O 2230a_100025703389_200025704644 [0,1,0,0,1,0|0,0,0]=2 5216 B11R1.222 C[C@H](O[13CH3])c1ncccc1Br 7a_100013325542_200025704644 [0,1,0,0,1,0|2,0,0]=4 5217 B11R1.222 Cc1ccccc1C(C)N[13CH3] 2230a_100000181355_200025704644 [0,1,0,0,1,0|0,0,0]=2 5218 B11R1.222 Cc1ccccc1C(C)N[13CH3] 34a_100000181355_200025704644 [0,1,0,0,1,0|0,0,0]=2 5219 B11R1.222 Cc1ccccc1C(C)O[13CH3] 34a_100000742021_200025704644 [0,1,0,0,1,0|1,0,0]=3 5220 B11R1.222 Cc1ccccc1C(C)O[13CH3] 7a_100000742021_200025704644 [0,1,0,0,1,0|1,0,0]=3 5221 B11R1.222 Cc1cccnc1C(C)N[13CH3] 2230a_100011536111_200025704644 [0,1,0,0,1,0|1,0,0]=3 5222 B11R1.30 CC(Cc1ccco1)OCF 34a_100011803939_100015361967 [0,1,0,0,1,0|2,0,0]=4 5223 B11R1.30 CC(Cc1ccco1)OCF 7a_100011803939_100015361967 [0,1,0,0,1,0|2,0,0]=4 5224 B11R1.30 CC(Cc1ccsc1)NCF 34a_100000743546_100015361967 [0,1,0,0,1,0|1,0,0]=3 5225 B11R1.30 CCNC(C)Cc1ccco1 270004a_100015525214_100011216958 [0,1,0,0,1,0|1,0,0]=3 5226 B11R1.30 CCNC(C)Cc1cccs1 2230a_100000751415_100000210202 [0,1,0,0,1,0|1,0,0]=3 5227 B11R1.30 CCNC(C)Cc1ccsc1 2230a_100000743546_100000210202 [0,1,0,0,1,0|1,0,0]=3 5228 B11R1.30 CCNC(C)Cc1ccsc1 34a_100000743546_100000210202 [0,1,0,0,1,0|1,0,0]=3 5229 B11R1.30 CCNC(C)Cn1cccn1 2230a_100000738251_100000210202 [0,1,0,0,1,0|2,0,0]=4 5230 B11R1.30 CCOC(C)Cc1ccco1 34a_100011803939_100000210202 [0,1,0,0,1,0|2,0,0]=4 5231 B11R1.30 CCOC(C)Cc1ccco1 7a_100011803939_100000210202 [0,1,0,0,1,0|2,0,0]=4 5232 B11R1.31 CNC(C)C(=O)c1cccs1 2230a_106832991635_100011262360 [0,1,0,0,1,0|1,0,1]=4 5233 B11R1.31 CNC(C)C(=O)c1cccs1 7a_106832991635_100011262360 [0,1,0,0,1,0|1,0,1]=4 5234 B11R1.35 CC(Cc1ccco1)N(C)C 270004a_100102631434_100011216958 [0,1,0,0,1,0|1,0,0]=3 5235 B11R1.39 CNC(C)Cc1cc(n[nH]1)C 2230a_100000081893_200000210301 [0,1,0,0,1,0|2,0,0]=4 5236 B11R1.39 CNC(C)Cn1cc(cn1)Br 270004a_106832991635_100000763327 [0,1,0,0,1,0|2,0,0]=4 5237 B11R1.39 Cc1cc([nH]n1)CC(C)N[13CH3] 2230a_100000081893_200025704644 [0,1,0,0,1,0|2,0,0]=4 5238 B11R1.84 CCC(Cc1ccco1)NC 270004a_106832991635_200011996595 [0,1,0,0,1,0|1,0,0]=3 5239 B11R1.84 CCC(Cn1ccnc1)NC 2230a_200015184670_200000210301 [0,1,0,0,1,0|2,0,0]=4 5240 B11R1.84 CCC(Cn1ccnc1)N[13CH3] 2230a_200015184670_200025704644 [0,1,0,0,1,0|2,0,0]=4 5241 B11R1.84 CN[C@H](CO)Cc1c[nH]cn1 2230a_100016995062_200000210301 [0,1,0,0,1,0|2,0,0]=4 5242 B11R1.84 [13CH3]N[C@H](CO)Cc1c[nH]cn1 2230a_100016995062_200025704644 [0,1,0,0,1,0|2,0,0]=4 5243 B13R1.11 C#CC(C)NC(C)c1ccccc1 2230a_100000707721_100000230085 [0,1,0,0,0,1|1,0,1]=4 5244 B13R1.11 C#CC(C)NC(C)c1ccccc1 34a_100000707721_100000211855 [0,1,0,0,0,1|1,0,1]=4 5245 B13R1.11 C#CC(C)O[C@H](C)c1ccccc1 34a_100000761318_200000035995 [0,1,0,0,0,1|1,0,1]=4 5246 B13R1.11 C#CC(C)SC(C)c1ccccc1 62a_200000035995_100000230085 [0,1,0,0,0,1|1,0,1]=4 5247 B13R1.11 C#C[C@@H](C)OC(C)c1ccccc1 34a_100009815206_100000211855 [0,1,0,0,0,1|1,0,1]=4 5248 B13R1.11 C#C[C@@H](C)OC(C)c1ccccc1 7a_100009815206_100000230085 [0,1,0,0,0,1|1,0,1]=4 5249 B13R1.11 C=CC(C)OC(C)c1ccccc1 34a_100000695699_100000211855 [0,1,0,0,0,1|1,0,1]=4 5250 B13R1.11 C=CC(C)SC(C)c1ccccc1 62a_100011215867_100000230085 [0,1,0,0,0,1|1,0,1]=4 5251 B13R1.11 CC(C#N)NC(C)c1ccccc1 2230a_100000737613_100000230085 [0,1,0,0,0,1|2,0,0]=4 5252 B13R1.11 CC(C#N)N[C@H](C)c1ccccc1 2230a_100000751104_100000184139 [0,1,0,0,0,1|2,0,0]=4 5253 B13R1.11 CC(C#N)OC(C)c1ccccc1 34a_100011218135_100000211855 [0,1,0,0,0,1|2,0,0]=4 5254 B13R1.11 CC(C#N)O[C@H](C)c1ccccc1 7a_100000761318_100000703298 [0,1,0,0,0,1|2,0,0]=4 5255 B13R1.11 CC(C#N)SC(C)c1ccccc1 62a_100000230085_100000703298 [0,1,0,0,0,1|2,0,0]=4 5256 B13R1.11 CC(C#N)SC(C)c1ccccc1 62a_100000703298_100000230085 [0,1,0,0,0,1|2,0,0]=4 5257 B13R1.11 CC(CF)OC(C)c1ccccc1 34a_100016041109_100000211855 [0,1,0,0,0,1|2,0,0]=4 5258 B13R1.11 CC(CF)OC(C)c1ccccc1 7a_100016041109_100000230085 [0,1,0,0,0,1|2,0,0]=4 5259 B13R1.11 CC(CN)OC(C)c1ccccc1 34a_100000210904_100000211855 [0,1,0,0,0,1|2,0,0]=4 5260 B13R1.11 CC(CO)N[C@H](C)c1ccccc1 2230a_100000751104_100012180447 [0,1,0,0,0,1|2,0,0]=4 5261 B13R1.11 CC(CO)O[C@H](C)c1ccccc1 34a_100000761318_100012180447 [0,1,0,0,0,1|2,0,0]=4 5262 B13R1.11 CC(CO)O[C@H](C)c1ccccc1 7a_100000761318_100012180447 [0,1,0,0,0,1|2,0,0]=4 5263 B13R1.11 CC(CO)SC(C)c1ccccc1 62a_100012180447_100000230085 [0,1,0,0,0,1|2,0,0]=4 5264 B13R1.11 CC(N[C@H](C)CF)c1ccccc1 269862a_100102880703_100000185851 [0,1,0,0,0,1|2,0,0]=4 5265 B13R1.11 CC(N[C@H](C)CO)c1ccccc1 2230a_100000737577_100000230085 [0,1,0,0,0,1|2,0,0]=4 5266 B13R1.11 CC(N[C@H](C)CO)c1ccccc1 269862a_100000737577_100000185851 [0,1,0,0,0,1|2,0,0]=4 5267 B13R1.11 CC(S[C@H](C)CO)c1ccccc1 62a_100000230085_100016084084 [0,1,0,0,0,1|2,0,0]=4 5268 B13R1.11 CC(S[C@H](C)CO)c1ccccc1 62a_100016084084_100000230085 [0,1,0,0,0,1|2,0,0]=4 5269 B13R1.11 CCC(C)CC(=O)c1ccccc1 1458a_100000185807_100000748023 [0,1,0,0,0,1|1,0,0]=3 5270 B13R1.11 CCC(C)CN(C)c1ccccc1 2230a_100000210012_100000748023 [0,1,0,0,0,1|1,0,0]=3 5271 B13R1.11 CCC(C)CN(C)c1ccccc1 269982a_100000210012_100000748023 [0,1,0,0,0,1|1,0,0]=3 5272 B13R1.11 CCC(C)CN(C)c1ccccc1 34a_100000210012_100000748023 [0,1,0,0,0,1|1,0,0]=3 5273 B13R1.11 CCC(C)NC(=O)c1ccccc1 11a_100000209981_100000185807 [0,1,0,0,0,1|1,0,1]=4 5274 B13R1.11 CCC(C)NC(=O)c1ccccc1 1626a_100000209981_100000185807 [0,1,0,0,0,1|1,0,1]=4 5275 B13R1.11 CCC(C)NC(=O)c1ccccc1 240690a_100000209981_100000185807 [0,1,0,0,0,1|1,0,1]=4 5276 B13R1.11 CCC(C)NC(=O)c1ccccc1 527a_100000209981_100000185807 [0,1,0,0,0,1|1,0,1]=4 5277 B13R1.11 CCC(C)NC(C)c1ccccc1 2230a_100000209981_100000230085 [0,1,0,0,0,1|1,0,0]=3 5278 B13R1.11 CCC(C)NC(C)c1ccccc1 269862a_100000209981_100000185851 [0,1,0,0,0,1|1,0,0]=3 5279 B13R1.11 CCC(C)NC(C)c1ccccn1 2230a_100000181244_100000758301 [0,1,0,0,0,1|2,0,0]=4 5280 B13R1.11 CCC(C)NC(C)c1ccccn1 269862a_100000209981_100000210467 [0,1,0,0,0,1|2,0,0]=4 5281 B13R1.11 CCC(C)NC(C)c1cccnc1 2230a_100000195435_100000758301 [0,1,0,0,0,1|2,0,0]=4 5282 B13R1.11 CCC(C)NC(C)c1cccnc1 269862a_100000209981_100000210468 [0,1,0,0,0,1|2,0,0]=4 5283 B13R1.11 CCC(C)NC(C)c1ccncc1 2230a_100000181269_100000758301 [0,1,0,0,0,1|2,0,0]=4 5284 B13R1.11 CCC(C)NC(C)c1ccncc1 269862a_100000209981_100000185792 [0,1,0,0,0,1|2,0,0]=4 5285 B13R1.11 CCC(C)N[C@H](C)c1ccccc1 2230a_100000751104_100000758301 [0,1,0,0,0,1|1,0,0]=3 5286 B13R1.11 CCC(C)OC(C)c1ccccc1 7a_100000210228_100000230085 [0,1,0,0,0,1|1,0,0]=3 5287 B13R1.11 CCC(C)O[C@H](C)c1ccccc1 34a_100000761318_100011215416 [0,1,0,0,0,1|1,0,0]=3 5288 B13R1.11 CCC(C)O[C@H](C)c1ccccc1 7a_100000761318_100000758301 [0,1,0,0,0,1|1,0,0]=3 5289 B13R1.11 CCC(C)SC(C)c1ccccc1 62a_100000230085_100000758301 [0,1,0,0,0,1|1,0,0]=3 5290 B13R1.11 CCC(C)SC(C)c1ccccc1 62a_100000758301_100000230085 [0,1,0,0,0,1|1,0,0]=3 5291 B13R1.11 CCC(O)CC(=O)c1ccccc1 1458a_100000185807_100011218378 [0,1,0,0,0,1|2,0,0]=4 5292 B13R1.11 CCC(O)CN(C)c1ccccc1 2230a_100000210012_100011218378 [0,1,0,0,0,1|2,0,0]=4 5293 B13R1.11 CCC(O)CN(C)c1ccccc1 269982a_100000210012_100011218378 [0,1,0,0,0,1|2,0,0]=4 5294 B13R1.11 CCC(O)CN(C)c1ccccc1 34a_100000210012_100011218378 [0,1,0,0,0,1|2,0,0]=4 5295 B13R1.11 CCN(C)CC(=O)c1ccccc1 269982a_100000225621_100000211460 [0,1,0,0,0,1|2,0,0]=4 5296 B13R1.11 CCN(C)CC(C)c1ccccc1 2230a_100000225621_100000756946 [0,1,0,0,0,1|2,0,0]=4 5297 B13R1.11 CCN(C)CC(C)c1ccccc1 269982a_100000225621_100000756946 [0,1,0,0,0,1|2,0,0]=4 5298 B13R1.11 CCN(C)CC(O)c1ccccc1 2230a_100000225621_100000185958 [0,1,0,0,0,1|2,0,0]=4 5299 B13R1.11 CCN(C)CC(O)c1ccccc1 2230a_100000227976_100000210202 [0,1,0,0,0,1|2,0,0]=4 5300 B13R1.11 CCN(C)CC(O)c1ccccc1 269982a_100000227976_100000204670 [0,1,0,0,0,1|2,0,0]=4 5301 B13R1.11 CCN(C)CS(=O)c1ccccc1 269982a_100000225621_100000031784 [0,1,0,0,0,1|2,0,0]=4 5302 B13R1.11 CCN(C)C[C@@H](O)c1ccccc1 2230a_100000225621_100011933945 [0,1,0,0,0,1|2,0,0]=4 5303 B13R1.11 CC[C@H](C)CC(=O)c1ccccc1 1458a_100000185807_100009816398 [0,1,0,0,0,1|1,0,0]=3 5304 B13R1.11 CC[C@H](C)CN(C)c1ccccc1 2230a_100000210012_100009816398 [0,1,0,0,0,1|1,0,0]=3 5305 B13R1.11 CC[C@H](C)CN(C)c1ccccc1 269982a_100000210012_100009816398 [0,1,0,0,0,1|1,0,0]=3 5306 B13R1.11 CC[C@H](C)CN(C)c1ccccc1 34a_100000210012_100009816398 [0,1,0,0,0,1|1,0,0]=3 5307 B13R1.11 CNC(=O)CC(=O)c1ccccc1 1458a_100000185807_100000183359 [0,1,0,0,0,1|1,0,1]=4 5308 B13R1.11 CNC(=O)CC(C)c1ccccc1 11a_106832991635_100000183687 [0,1,0,0,0,1|1,0,1]=4 5309 B13R1.11 CNC(=O)CC(C)c1ccccc1 1626a_100102657272_100000183687 [0,1,0,0,0,1|1,0,1]=4 5310 B13R1.11 CNC(=O)CC(C)c1ccccc1 240690a_100102657272_100000183687 [0,1,0,0,0,1|1,0,1]=4 5311 B13R1.11 CNC(=O)CC(C)c1ccccc1 527a_100102657272_100000183687 [0,1,0,0,0,1|1,0,1]=4 5312 B13R1.11 CNC(=O)CC(O)c1ccccc1 240690a_100102657272_100000690199 [0,1,0,0,0,1|1,0,1]=4 5313 B13R1.11 CNC(=O)CN(C)c1ccccc1 2230a_100000210012_100000183359 [0,1,0,0,0,1|1,0,1]=4 5314 B13R1.11 CNC(=O)CN(C)c1ccccc1 240690a_100102657272_100000745425 [0,1,0,0,0,1|1,0,1]=4 5315 B13R1.11 CNC(=O)CN(C)c1ccccc1 269982a_100000210012_100000183359 [0,1,0,0,0,1|1,0,1]=4 5316 B13R1.11 CNC(=O)CN(C)c1ccccc1 34a_100000210012_100000183359 [0,1,0,0,0,1|1,0,1]=4 5317 B13R1.11 CNC(=O)CN(C)c1ccccc1 527a_100102657272_100000745425 [0,1,0,0,0,1|1,0,1]=4 5318 B13R1.11 CNC(=O)N[C@H](C)c1ccccc1 2708a_100000751104_106832991635 [0,1,0,0,0,1|1,0,1]=4 5319 B13R1.11 CNC(=O)N[C@H](C)c1ccccc1 2708a_100102657272_100000751104 [0,1,0,0,0,1|1,0,1]=4 5320 B13R1.11 CNC(=O)N[C@H](C)c1ccccc1 273464a_100000751104_100102657272 [0,1,0,0,0,1|1,0,1]=4 5321 B13R1.11 CNC(=O)N[C@H](C)c1ccccc1 273464a_100102657272_100000751104 [0,1,0,0,0,1|1,0,1]=4 5322 B13R1.11 CNC(=O)N[C@H](C)c1ccccc1 512a_100000751104_100102657272 [0,1,0,0,0,1|1,0,1]=4 5323 B13R1.11 CNC(=O)N[C@H](C)c1ccccc1 512a_106832991638_100000751104 [0,1,0,0,0,1|1,0,1]=4 5324 B13R1.11 COC(C)SC(C)c1ccccc1 62a_100000230085_100009879195 [0,1,0,0,0,1|1,0,0]=3 5325 B13R1.11 COC(C)SC(C)c1ccccc1 62a_100009879195_100000230085 [0,1,0,0,0,1|1,0,0]=3 5326 B13R1.11 C[C@@H](CO)CC(=O)c1ccccc1 1458a_100000185807_100000059175 [0,1,0,0,0,1|2,0,0]=4 5327 B13R1.11 C[C@@H](CO)CN(C)c1ccccc1 2230a_100000210012_100000059175 [0,1,0,0,0,1|2,0,0]=4 5328 B13R1.11 C[C@@H](CO)CN(C)c1ccccc1 269982a_100000210012_100000059175 [0,1,0,0,0,1|2,0,0]=4 5329 B13R1.11 C[C@@H](CO)CN(C)c1ccccc1 34a_100000210012_100000059175 [0,1,0,0,0,1|2,0,0]=4 5330 B13R1.14 C#CC(C)NCc1ccc(cc1)Br 2230a_100000707721_100011217064 [0,1,0,0,0,1|1,0,1]=4 5331 B13R1.14 C#CC(C)NCc1ccc(cc1)Br 270004a_100000707721_100000186029 [0,1,0,0,0,1|1,0,1]=4 5332 B13R1.14 C#CC(C)NCc1ccc(cc1)Br 34a_100000174875_200000035995 [0,1,0,0,0,1|1,0,1]=4 5333 B13R1.14 C#CC(C)NCc1ccc(cc1)Br 34a_100000707721_100000189115 [0,1,0,0,0,1|1,0,1]=4 5334 B13R1.14 C#CC(C)NCc1ccc(cc1)C 2230a_100000707721_100000210814 [0,1,0,0,0,1|1,0,1]=4 5335 B13R1.14 C#CC(C)NCc1ccc(cc1)C 270004a_100000707721_100000211033 [0,1,0,0,0,1|1,0,1]=4 5336 B13R1.14 C#CC(C)NCc1ccc(cc1)C 34a_100000174908_200000035995 [0,1,0,0,0,1|1,0,1]=4 5337 B13R1.14 C#CC(C)NCc1ccc(cc1)C 34a_100000707721_100000210814 [0,1,0,0,0,1|1,0,1]=4 5338 B13R1.14 C#CC(C)NCc1ccc(cc1)Cl 2230a_100000707721_100000694040 [0,1,0,0,0,1|1,0,1]=4 5339 B13R1.14 C#CC(C)NCc1ccc(cc1)Cl 270004a_100000707721_100000189385 [0,1,0,0,0,1|1,0,1]=4 5340 B13R1.14 C#CC(C)NCc1ccc(cc1)Cl 34a_100000174871_200000035995 [0,1,0,0,0,1|1,0,1]=4 5341 B13R1.14 C#CC(C)NCc1ccc(cc1)Cl 34a_100000707721_100000694040 [0,1,0,0,0,1|1,0,1]=4 5342 B13R1.14 C#CC(C)NCc1ccc(cc1)F 2230a_100000707721_100000198546 [0,1,0,0,0,1|1,0,1]=4 5343 B13R1.14 C#CC(C)NCc1ccc(cc1)F 270004a_100000707721_100000210084 [0,1,0,0,0,1|1,0,1]=4 5344 B13R1.14 C#CC(C)NCc1ccc(cc1)F 34a_100000174882_200000035995 [0,1,0,0,0,1|1,0,1]=4 5345 B13R1.14 C#CC(C)NCc1ccc(cc1)F 34a_100000707721_100000198546 [0,1,0,0,0,1|1,0,1]=4 5346 B13R1.14 C#CC(C)NCc1ccc(cc1)I 2230a_100000707721_100000189116 [0,1,0,0,0,1|1,0,1]=4 5347 B13R1.14 C#CC(C)NCc1ccc(cc1)I 34a_100000707721_100000189116 [0,1,0,0,0,1|1,0,1]=4 5348 B13R1.14 C#CC(C)NCc1ccc(cc1)I 34a_100016989417_200000035995 [0,1,0,0,0,1|1,0,1]=4 5349 B13R1.14 C#CC(C)NCc1ccc(cc1)O 34a_100000185549_200000035995 [0,1,0,0,0,1|1,0,1]=4 5350 B13R1.14 C#CC(C)OCc1ccc(cc1)Br 34a_100000695286_200000035995 [0,1,0,0,0,1|1,0,1]=4 5351 B13R1.14 C#CC(C)OCc1ccc(cc1)C 34a_100011215236_200000035995 [0,1,0,0,0,1|1,0,1]=4 5352 B13R1.14 C#CC(C)OCc1ccc(cc1)Cl 34a_100000211118_200000035995 [0,1,0,0,0,1|1,0,1]=4 5353 B13R1.14 C#CC(C)OCc1ccc(cc1)F 34a_100000210977_200000035995 [0,1,0,0,0,1|1,0,1]=4 5354 B13R1.14 C#CC(C)OCc1ccc(cc1)I 34a_100000690907_200000035995 [0,1,0,0,0,1|1,0,1]=4 5355 B13R1.14 C#CC(C)OCc1ccc(cc1)N 34a_100011215238_200000035995 [0,1,0,0,0,1|1,0,1]=4 5356 B13R1.14 C#CC(C)SCc1ccc(cc1)Br 62a_200000035995_100000189115 [0,1,0,0,0,1|1,0,1]=4 5357 B13R1.14 C#CC(C)SCc1ccc(cc1)C 62a_200000035995_100000210814 [0,1,0,0,0,1|1,0,1]=4 5358 B13R1.14 C#CC(C)SCc1ccc(cc1)Cl 62a_200000035995_100000187161 [0,1,0,0,0,1|1,0,1]=4 5359 B13R1.14 C#CC(C)SCc1ccc(cc1)F 62a_200000035995_100000187164 [0,1,0,0,0,1|1,0,1]=4 5360 B13R1.14 C#CC(C)SCc1ccc(cc1)I 62a_200000035995_100000189116 [0,1,0,0,0,1|1,0,1]=4 5361 B13R1.14 C#C[C@@H](C)OCc1ccc(cc1)Br 34a_100009815206_100000189115 [0,1,0,0,0,1|1,0,1]=4 5362 B13R1.14 C#C[C@@H](C)OCc1ccc(cc1)Br 7a_100009815206_100011217064 [0,1,0,0,0,1|1,0,1]=4 5363 B13R1.14 C#C[C@@H](C)OCc1ccc(cc1)C 34a_100009815206_100000210814 [0,1,0,0,0,1|1,0,1]=4 5364 B13R1.14 C#C[C@@H](C)OCc1ccc(cc1)C 7a_100009815206_100000210814 [0,1,0,0,0,1|1,0,1]=4 5365 B13R1.14 C#C[C@@H](C)OCc1ccc(cc1)Cl 34a_100009815206_100000694040 [0,1,0,0,0,1|1,0,1]=4 5366 B13R1.14 C#C[C@@H](C)OCc1ccc(cc1)Cl 7a_100009815206_100000187161 [0,1,0,0,0,1|1,0,1]=4 5367 B13R1.14 C#C[C@@H](C)OCc1ccc(cc1)F 34a_100009815206_100000198546 [0,1,0,0,0,1|1,0,1]=4 5368 B13R1.14 C#C[C@@H](C)OCc1ccc(cc1)F 7a_100009815206_100000198546 [0,1,0,0,0,1|1,0,1]=4 5369 B13R1.14 C#C[C@@H](C)OCc1ccc(cc1)I 34a_100009815206_100000189116 [0,1,0,0,0,1|1,0,1]=4 5370 B13R1.14 C#C[C@@H](C)OCc1ccc(cc1)I 7a_100009815206_100000189116 [0,1,0,0,0,1|1,0,1]=4 5371 B13R1.14 C=CC(C)OCc1ccc(cc1)Br 34a_100000695699_100000189115 [0,1,0,0,0,1|1,0,1]=4 5372 B13R1.14 C=CC(C)OCc1ccc(cc1)C 34a_100000695699_100000210814 [0,1,0,0,0,1|1,0,1]=4 5373 B13R1.14 C=CC(C)OCc1ccc(cc1)Cl 34a_100000695699_100000694040 [0,1,0,0,0,1|1,0,1]=4 5374 B13R1.14 C=CC(C)OCc1ccc(cc1)F 34a_100000695699_100000198546 [0,1,0,0,0,1|1,0,1]=4 5375 B13R1.14 C=CC(C)OCc1ccc(cc1)I 34a_100000695699_100000189116 [0,1,0,0,0,1|1,0,1]=4 5376 B13R1.14 C=CC(C)SCc1ccc(cc1)Br 62a_100011215867_100000189115 [0,1,0,0,0,1|1,0,1]=4 5377 B13R1.14 C=CC(C)SCc1ccc(cc1)C 62a_100011215867_100000210814 [0,1,0,0,0,1|1,0,1]=4 5378 B13R1.14 C=CC(C)SCc1ccc(cc1)Cl 62a_100011215867_100000187161 [0,1,0,0,0,1|1,0,1]=4 5379 B13R1.14 C=CC(C)SCc1ccc(cc1)F 62a_100011215867_100000187164 [0,1,0,0,0,1|1,0,1]=4 5380 B13R1.14 C=CC(C)SCc1ccc(cc1)I 62a_100011215867_100000189116 [0,1,0,0,0,1|1,0,1]=4 5381 B13R1.14 CC(C#N)NCc1ccc(cc1)Br 2230a_100000174875_100000184139 [0,1,0,0,0,1|2,0,0]=4 5382 B13R1.14 CC(C#N)NCc1ccc(cc1)Br 2230a_100000737613_100011217064 [0,1,0,0,0,1|2,0,0]=4 5383 B13R1.14 CC(C#N)NCc1ccc(cc1)Cl 2230a_100000174871_100000184139 [0,1,0,0,0,1|2,0,0]=4 5384 B13R1.14 CC(C#N)NCc1ccc(cc1)Cl 2230a_100000737613_100000694040 [0,1,0,0,0,1|2,0,0]=4 5385 B13R1.14 CC(C#N)NCc1ccc(cc1)F 2230a_100000174882_100000184139 [0,1,0,0,0,1|2,0,0]=4 5386 B13R1.14 CC(C#N)NCc1ccc(cc1)F 2230a_100000737613_100000198546 [0,1,0,0,0,1|2,0,0]=4 5387 B13R1.14 CC(C#N)NCc1ccc(cc1)I 2230a_100000737613_100000189116 [0,1,0,0,0,1|2,0,0]=4 5388 B13R1.14 CC(C#N)NCc1ccc(cc1)I 2230a_100016989417_100000184139 [0,1,0,0,0,1|2,0,0]=4 5389 B13R1.14 CC(C#N)OCc1ccc(cc1)Br 34a_100011218135_100000189115 [0,1,0,0,0,1|2,0,0]=4 5390 B13R1.14 CC(C#N)OCc1ccc(cc1)Cl 34a_100011218135_100000694040 [0,1,0,0,0,1|2,0,0]=4 5391 B13R1.14 CC(C#N)OCc1ccc(cc1)Cl 7a_100000211118_100000703298 [0,1,0,0,0,1|2,0,0]=4 5392 B13R1.14 CC(C#N)OCc1ccc(cc1)F 34a_100011218135_100000198546 [0,1,0,0,0,1|2,0,0]=4 5393 B13R1.14 CC(C#N)OCc1ccc(cc1)F 7a_100000210977_100000703298 [0,1,0,0,0,1|2,0,0]=4 5394 B13R1.14 CC(C#N)OCc1ccc(cc1)I 34a_100011218135_100000189116 [0,1,0,0,0,1|2,0,0]=4 5395 B13R1.14 CC(C#N)OCc1ccc(cc1)I 7a_100000690907_100000703298 [0,1,0,0,0,1|2,0,0]=4 5396 B13R1.14 CC(C#N)SCc1ccc(cc1)Br 62a_100000189115_100000703298 [0,1,0,0,0,1|2,0,0]=4 5397 B13R1.14 CC(C#N)SCc1ccc(cc1)Br 62a_100000703298_100000189115 [0,1,0,0,0,1|2,0,0]=4 5398 B13R1.14 CC(C#N)SCc1ccc(cc1)Cl 62a_100000187161_100000703298 [0,1,0,0,0,1|2,0,0]=4 5399 B13R1.14 CC(C#N)SCc1ccc(cc1)Cl 62a_100000703298_100000187161 [0,1,0,0,0,1|2,0,0]=4 5400 B13R1.14 CC(C#N)SCc1ccc(cc1)F 62a_100000198546_100000703298 [0,1,0,0,0,1|2,0,0]=4 5401 B13R1.14 CC(C#N)SCc1ccc(cc1)F 62a_100000703298_100000187164 [0,1,0,0,0,1|2,0,0]=4 5402 B13R1.14 CC(C#N)SCc1ccc(cc1)I 62a_100000189116_100000703298 [0,1,0,0,0,1|2,0,0]=4 5403 B13R1.14 CC(C#N)SCc1ccc(cc1)I 62a_100000703298_100000189116 [0,1,0,0,0,1|2,0,0]=4 5404 B13R1.14 CC(CF)OCc1ccc(cc1)Br 34a_100016041109_100000189115 [0,1,0,0,0,1|2,0,0]=4 5405 B13R1.14 CC(CF)OCc1ccc(cc1)Br 7a_100016041109_100011217064 [0,1,0,0,0,1|2,0,0]=4 5406 B13R1.14 CC(CF)OCc1ccc(cc1)Cl 34a_100016041109_100000694040 [0,1,0,0,0,1|2,0,0]=4 5407 B13R1.14 CC(CF)OCc1ccc(cc1)Cl 7a_100016041109_100000187161 [0,1,0,0,0,1|2,0,0]=4 5408 B13R1.14 CC(CF)OCc1ccc(cc1)F 34a_100016041109_100000198546 [0,1,0,0,0,1|2,0,0]=4 5409 B13R1.14 CC(CF)OCc1ccc(cc1)F 7a_100016041109_100000198546 [0,1,0,0,0,1|2,0,0]=4 5410 B13R1.14 CC(CF)OCc1ccc(cc1)I 34a_100016041109_100000189116 [0,1,0,0,0,1|2,0,0]=4 5411 B13R1.14 CC(CF)OCc1ccc(cc1)I 7a_100016041109_100000189116 [0,1,0,0,0,1|2,0,0]=4 5412 B13R1.14 CC(CN)OCc1ccc(cc1)Br 34a_100000210904_100000189115 [0,1,0,0,0,1|2,0,0]=4 5413 B13R1.14 CC(CN)OCc1ccc(cc1)Cl 34a_100000210904_100000694040 [0,1,0,0,0,1|2,0,0]=4 5414 B13R1.14 CC(CN)OCc1ccc(cc1)F 34a_100000210904_100000198546 [0,1,0,0,0,1|2,0,0]=4 5415 B13R1.14 CC(CN)OCc1ccc(cc1)I 34a_100000210904_100000189116 [0,1,0,0,0,1|2,0,0]=4 5416 B13R1.14 CC(CO)NCc1ccc(cc1)Br 2230a_100000174875_100012180447 [0,1,0,0,0,1|2,0,0]=4 5417 B13R1.14 CC(CO)NCc1ccc(cc1)Br 34a_100000174875_100012180447 [0,1,0,0,0,1|2,0,0]=4 5418 B13R1.14 CC(CO)NCc1ccc(cc1)Cl 2230a_100000174871_100012180447 [0,1,0,0,0,1|2,0,0]=4 5419 B13R1.14 CC(CO)NCc1ccc(cc1)Cl 34a_100000174871_100012180447 [0,1,0,0,0,1|2,0,0]=4 5420 B13R1.14 CC(CO)NCc1ccc(cc1)F 2230a_100000174882_100012180447 [0,1,0,0,0,1|2,0,0]=4 5421 B13R1.14 CC(CO)NCc1ccc(cc1)F 34a_100000174882_100012180447 [0,1,0,0,0,1|2,0,0]=4 5422 B13R1.14 CC(CO)NCc1ccc(cc1)I 2230a_100016989417_100012180447 [0,1,0,0,0,1|2,0,0]=4 5423 B13R1.14 CC(CO)NCc1ccc(cc1)I 34a_100016989417_100012180447 [0,1,0,0,0,1|2,0,0]=4 5424 B13R1.14 CC(CO)NCc1ccc(cc1)O 34a_100000185549_100012180447 [0,1,0,0,0,1|2,0,0]=4 5425 B13R1.14 CC(CO)OCc1ccc(cc1)Br 34a_100000695286_100012180447 [0,1,0,0,0,1|2,0,0]=4 5426 B13R1.14 CC(CO)OCc1ccc(cc1)Cl 34a_100000211118_100012180447 [0,1,0,0,0,1|2,0,0]=4 5427 B13R1.14 CC(CO)OCc1ccc(cc1)Cl 7a_100000211118_100012180447 [0,1,0,0,0,1|2,0,0]=4 5428 B13R1.14 CC(CO)OCc1ccc(cc1)F 34a_100000210977_100012180447 [0,1,0,0,0,1|2,0,0]=4 5429 B13R1.14 CC(CO)OCc1ccc(cc1)F 7a_100000210977_100012180447 [0,1,0,0,0,1|2,0,0]=4 5430 B13R1.14 CC(CO)OCc1ccc(cc1)I 34a_100000690907_100012180447 [0,1,0,0,0,1|2,0,0]=4 5431 B13R1.14 CC(CO)OCc1ccc(cc1)I 7a_100000690907_100012180447 [0,1,0,0,0,1|2,0,0]=4 5432 B13R1.14 CC(CO)OCc1ccc(cc1)N 34a_100011215238_100012180447 [0,1,0,0,0,1|2,0,0]=4 5433 B13R1.14 CC(CO)SCc1ccc(cc1)Br 62a_100012180447_100000189115 [0,1,0,0,0,1|2,0,0]=4 5434 B13R1.14 CC(CO)SCc1ccc(cc1)Cl 62a_100012180447_100000187161 [0,1,0,0,0,1|2,0,0]=4 5435 B13R1.14 CC(CO)SCc1ccc(cc1)F 62a_100012180447_100000187164 [0,1,0,0,0,1|2,0,0]=4 5436 B13R1.14 CC(CO)SCc1ccc(cc1)I 62a_100012180447_100000189116 [0,1,0,0,0,1|2,0,0]=4 5437 B13R1.14 CCC(C)CNc1ccc(cc1)Br 2230a_100000210018_100000748023 [0,1,0,0,0,1|1,0,0]=3 5438 B13R1.14 CCC(C)CNc1ccc(cc1)Br 34a_100000210018_100000748023 [0,1,0,0,0,1|1,0,0]=3 5439 B13R1.14 CCC(C)CNc1ccc(cc1)C 34a_100000124888_100000748023 [0,1,0,0,0,1|1,0,0]=3 5440 B13R1.14 CCC(C)CNc1ccc(cc1)Cl 2230a_100000210052_100000748023 [0,1,0,0,0,1|1,0,0]=3 5441 B13R1.14 CCC(C)CNc1ccc(cc1)Cl 34a_100000210052_100000748023 [0,1,0,0,0,1|1,0,0]=3 5442 B13R1.14 CCC(C)CNc1ccc(cc1)F 34a_100000185862_100000748023 [0,1,0,0,0,1|1,0,0]=3 5443 B13R1.14 CCC(C)CNc1ccc(cc1)I 34a_100000185761_100000748023 [0,1,0,0,0,1|1,0,0]=3 5444 B13R1.14 CCC(C)CNc1ccc(cc1)O 34a_100000185829_100000748023 [0,1,0,0,0,1|1,0,0]=3 5445 B13R1.14 CCC(C)CNc1ccc(cn1)Br 27a_100020588543_100000686858 [0,1,0,0,0,1|2,0,0]=4 5446 B13R1.14 CCC(C)COc1ccc(=O)[nH]c1 34a_100000075641_100000748023 [0,1,0,0,0,1|2,0,0]=4 5447 B13R1.14 CCC(C)COc1ccc(cc1)Br 34a_100000185759_100000748023 [0,1,0,0,0,1|1,0,0]=3 5448 B13R1.14 CCC(C)COc1ccc(cc1)Br 7a_100000185759_100000748023 [0,1,0,0,0,1|1,0,0]=3 5449 B13R1.14 CCC(C)COc1ccc(cc1)C 34a_100000210336_100000748023 [0,1,0,0,0,1|1,0,0]=3 5450 B13R1.14 CCC(C)COc1ccc(cc1)C 7a_100000210336_100000748023 [0,1,0,0,0,1|1,0,0]=3 5451 B13R1.14 CCC(C)COc1ccc(cc1)Cl 34a_100000210216_100000748023 [0,1,0,0,0,1|1,0,0]=3 5452 B13R1.14 CCC(C)COc1ccc(cc1)Cl 7a_100000210216_100000748023 [0,1,0,0,0,1|1,0,0]=3 5453 B13R1.14 CCC(C)COc1ccc(cc1)F 34a_100000210339_100000748023 [0,1,0,0,0,1|1,0,0]=3 5454 B13R1.14 CCC(C)COc1ccc(cc1)I 34a_100000212066_100000748023 [0,1,0,0,0,1|1,0,0]=3 5455 B13R1.14 CCC(C)COc1ccc(cc1)I 7a_100000212066_100000748023 [0,1,0,0,0,1|1,0,0]=3 5456 B13R1.14 CCC(C)COc1ccc(cc1)N 34a_100000185829_100000748023 [0,1,0,0,0,1|1,0,0]=3 5457 B13R1.14 CCC(C)COc1ccc(cn1)C 34a_100000759353_100000748023 [0,1,0,0,0,1|2,0,0]=4 5458 B13R1.14 CCC(C)COc1ccc(cn1)Cl 34a_100011215309_100000748023 [0,1,0,0,0,1|2,0,0]=4 5459 B13R1.14 CCC(C)COc1ccc(cn1)F 34a_100000742473_100000748023 [0,1,0,0,0,1|2,0,0]=4 5460 B13R1.14 CCC(C)COc1ccc(cn1)N 34a_100000729260_100000748023 [0,1,0,0,0,1|2,0,0]=4 5461 B13R1.14 CCC(C)COc1ccc(nc1)Br 34a_100000685995_100000748023 [0,1,0,0,0,1|2,0,0]=4 5462 B13R1.14 CCC(C)COc1ccc(nc1)Br 7a_100000685995_100000748023 [0,1,0,0,0,1|2,0,0]=4 5463 B13R1.14 CCC(C)COc1ccc(nc1)C 34a_100000745506_100000748023 [0,1,0,0,0,1|2,0,0]=4 5464 B13R1.14 CCC(C)COc1ccc(nc1)C 7a_100000745506_100000748023 [0,1,0,0,0,1|2,0,0]=4 5465 B13R1.14 CCC(C)COc1ccc(nc1)Cl 34a_100000744096_100000748023 [0,1,0,0,0,1|2,0,0]=4 5466 B13R1.14 CCC(C)COc1ccc(nc1)Cl 7a_100000744096_100000748023 [0,1,0,0,0,1|2,0,0]=4 5467 B13R1.14 CCC(C)COc1ccc(nc1)F 34a_100000688820_100000748023 [0,1,0,0,0,1|2,0,0]=4 5468 B13R1.14 CCC(C)COc1ccc(nc1)F 7a_100000688820_100000748023 [0,1,0,0,0,1|2,0,0]=4 5469 B13R1.14 CCC(C)COc1ccc(nc1)I 34a_100000687607_100000748023 [0,1,0,0,0,1|2,0,0]=4 5470 B13R1.14 CCC(C)COc1ccc(nc1)I 7a_100000687607_100000748023 [0,1,0,0,0,1|2,0,0]=4 5471 B13R1.14 CCC(C)COc1ccc(nc1)N 34a_100015188713_100000748023 [0,1,0,0,0,1|2,0,0]=4 5472 B13R1.14 CCC(C)COc1ccc(nc1)N 7a_100015188713_100000748023 [0,1,0,0,0,1|2,0,0]=4 5473 B13R1.14 CCC(C)CSc1cc[n+](cc1)[O-] 62a_100000748023_100000039755 [0,1,0,0,0,1|2,0,0]=4 5474 B13R1.14 CCC(C)CSc1ccc(=O)[nH]c1 62a_100000212171_100000748023 [0,1,0,0,0,1|2,0,0]=4 5475 B13R1.14 CCC(C)CSc1ccc(=O)[nH]c1 62a_100000748023_100000212171 [0,1,0,0,0,1|2,0,0]=4 5476 B13R1.14 CCC(C)CSc1ccc(cc1)Br 62a_100000748023_100000752885 [0,1,0,0,0,1|1,0,0]=3 5477 B13R1.14 CCC(C)CSc1ccc(cc1)Br 62a_100000752885_100000748023 [0,1,0,0,0,1|1,0,0]=3 5478 B13R1.14 CCC(C)CSc1ccc(cc1)C 62a_100000186775_100000748023 [0,1,0,0,0,1|1,0,0]=3 5479 B13R1.14 CCC(C)CSc1ccc(cc1)C 62a_100000748023_100000186775 [0,1,0,0,0,1|1,0,0]=3 5480 B13R1.14 CCC(C)CSc1ccc(cc1)Cl 62a_100000748023_100000755918 [0,1,0,0,0,1|1,0,0]=3 5481 B13R1.14 CCC(C)CSc1ccc(cc1)Cl 62a_100000755918_100000748023 [0,1,0,0,0,1|1,0,0]=3 5482 B13R1.14 CCC(C)CSc1ccc(cc1)F 62a_100000211213_100000748023 [0,1,0,0,0,1|1,0,0]=3 5483 B13R1.14 CCC(C)CSc1ccc(cc1)F 62a_100000748023_100000211213 [0,1,0,0,0,1|1,0,0]=3 5484 B13R1.14 CCC(C)CSc1ccc(cc1)N 62a_100000185761_100000748023 [0,1,0,0,0,1|1,0,0]=3 5485 B13R1.14 CCC(C)CSc1ccc(cc1)N 62a_100000748023_100000185761 [0,1,0,0,0,1|1,0,0]=3 5486 B13R1.14 CCC(C)CSc1ccc(cc1)O 62a_100000748023_100000185759 [0,1,0,0,0,1|1,0,0]=3 5487 B13R1.14 CCC(C)CSc1ccc(cn1)Br 62a_100000686858_100000748023 [0,1,0,0,0,1|2,0,0]=4 5488 B13R1.14 CCC(C)CSc1ccc(cn1)Br 62a_100000748023_100000686858 [0,1,0,0,0,1|2,0,0]=4 5489 B13R1.14 CCC(C)CSc1ccc(cn1)C 62a_100000748023_100000754016 [0,1,0,0,0,1|2,0,0]=4 5490 B13R1.14 CCC(C)CSc1ccc(cn1)C 62a_100011192072_100000748023 [0,1,0,0,0,1|2,0,0]=4 5491 B13R1.14 CCC(C)CSc1ccc(cn1)Cl 62a_100000748023_100011356976 [0,1,0,0,0,1|2,0,0]=4 5492 B13R1.14 CCC(C)CSc1ccc(cn1)Cl 62a_100011356976_100000748023 [0,1,0,0,0,1|2,0,0]=4 5493 B13R1.14 CCC(C)CSc1ccc(cn1)F 62a_100000744514_100000748023 [0,1,0,0,0,1|2,0,0]=4 5494 B13R1.14 CCC(C)CSc1ccc(cn1)F 62a_100000748023_100000744514 [0,1,0,0,0,1|2,0,0]=4 5495 B13R1.14 CCC(C)CSc1ccc(cn1)N 62a_100000737798_100000748023 [0,1,0,0,0,1|2,0,0]=4 5496 B13R1.14 CCC(C)CSc1ccc(cn1)N 62a_100000748023_100000737798 [0,1,0,0,0,1|2,0,0]=4 5497 B13R1.14 CCC(C)CSc1ccc(cn1)O 62a_100000685995_100000748023 [0,1,0,0,0,1|2,0,0]=4 5498 B13R1.14 CCC(C)CSc1ccc(cn1)O 62a_100000748023_100000744096 [0,1,0,0,0,1|2,0,0]=4 5499 B13R1.14 CCC(C)CSc1ccc(nc1)Br 62a_100000748023_100009814638 [0,1,0,0,0,1|2,0,0]=4 5500 B13R1.14 CCC(C)CSc1ccc(nc1)Br 62a_100009814638_100000748023 [0,1,0,0,0,1|2,0,0]=4 5501 B13R1.14 CCC(C)CSc1ccc(nc1)C 62a_100000748023_100000751577 [0,1,0,0,0,1|2,0,0]=4 5502 B13R1.14 CCC(C)CSc1ccc(nc1)C 62a_100000751577_100000748023 [0,1,0,0,0,1|2,0,0]=4 5503 B13R1.14 CCC(C)CSc1ccc(nc1)Cl 62a_100000034144_100000748023 [0,1,0,0,0,1|2,0,0]=4 5504 B13R1.14 CCC(C)CSc1ccc(nc1)Cl 62a_100000748023_100000034144 [0,1,0,0,0,1|2,0,0]=4 5505 B13R1.14 CCC(C)CSc1ccc(nc1)F 62a_100000042367_100000748023 [0,1,0,0,0,1|2,0,0]=4 5506 B13R1.14 CCC(C)CSc1ccc(nc1)F 62a_100000748023_100000042367 [0,1,0,0,0,1|2,0,0]=4 5507 B13R1.14 CCC(C)CSc1ccc(nc1)N 62a_100000187370_100000748023 [0,1,0,0,0,1|2,0,0]=4 5508 B13R1.14 CCC(C)CSc1ccc(nc1)N 62a_100000748023_100000187370 [0,1,0,0,0,1|2,0,0]=4 5509 B13R1.14 CCC(C)NCc1ccc(cc1)Br 207a_100000209981_100000186029 [0,1,0,0,0,1|1,0,0]=3 5510 B13R1.14 CCC(C)NCc1ccc(cc1)Br 2230a_100000174875_100000758301 [0,1,0,0,0,1|1,0,0]=3 5511 B13R1.14 CCC(C)NCc1ccc(cc1)Br 2230a_100000209981_100011217064 [0,1,0,0,0,1|1,0,0]=3 5512 B13R1.14 CCC(C)NCc1ccc(cc1)Br 270004a_100000209981_100000186029 [0,1,0,0,0,1|1,0,0]=3 5513 B13R1.14 CCC(C)NCc1ccc(cc1)Br 34a_100000174875_100011215416 [0,1,0,0,0,1|1,0,0]=3 5514 B13R1.14 CCC(C)NCc1ccc(cc1)C 207a_100000209981_100000211033 [0,1,0,0,0,1|1,0,0]=3 5515 B13R1.14 CCC(C)NCc1ccc(cc1)C 2230a_100000174908_100000758301 [0,1,0,0,0,1|1,0,0]=3 5516 B13R1.14 CCC(C)NCc1ccc(cc1)C 2230a_100000209981_100000210814 [0,1,0,0,0,1|1,0,0]=3 5517 B13R1.14 CCC(C)NCc1ccc(cc1)C 270004a_100000209981_100000211033 [0,1,0,0,0,1|1,0,0]=3 5518 B13R1.14 CCC(C)NCc1ccc(cc1)C 34a_100000174908_100011215416 [0,1,0,0,0,1|1,0,0]=3 5519 B13R1.14 CCC(C)NCc1ccc(cc1)Cl 207a_100000209981_100000189385 [0,1,0,0,0,1|1,0,0]=3 5520 B13R1.14 CCC(C)NCc1ccc(cc1)Cl 2230a_100000174871_100000758301 [0,1,0,0,0,1|1,0,0]=3 5521 B13R1.14 CCC(C)NCc1ccc(cc1)Cl 2230a_100000209981_100000694040 [0,1,0,0,0,1|1,0,0]=3 5522 B13R1.14 CCC(C)NCc1ccc(cc1)Cl 270004a_100000209981_100000189385 [0,1,0,0,0,1|1,0,0]=3 5523 B13R1.14 CCC(C)NCc1ccc(cc1)Cl 34a_100000174871_100011215416 [0,1,0,0,0,1|1,0,0]=3 5524 B13R1.14 CCC(C)NCc1ccc(cc1)F 207a_100000209981_100000210084 [0,1,0,0,0,1|1,0,0]=3 5525 B13R1.14 CCC(C)NCc1ccc(cc1)F 2230a_100000174882_100000758301 [0,1,0,0,0,1|1,0,0]=3 5526 B13R1.14 CCC(C)NCc1ccc(cc1)F 2230a_100000209981_100000198546 [0,1,0,0,0,1|1,0,0]=3 5527 B13R1.14 CCC(C)NCc1ccc(cc1)F 270004a_100000209981_100000210084 [0,1,0,0,0,1|1,0,0]=3 5528 B13R1.14 CCC(C)NCc1ccc(cc1)F 34a_100000174882_100011215416 [0,1,0,0,0,1|1,0,0]=3 5529 B13R1.14 CCC(C)NCc1ccc(cc1)I 207a_100000209981_100000188517 [0,1,0,0,0,1|1,0,0]=3 5530 B13R1.14 CCC(C)NCc1ccc(cc1)I 2230a_100000209981_100000189116 [0,1,0,0,0,1|1,0,0]=3 5531 B13R1.14 CCC(C)NCc1ccc(cc1)I 2230a_100016989417_100000758301 [0,1,0,0,0,1|1,0,0]=3 5532 B13R1.14 CCC(C)NCc1ccc(cc1)I 34a_100016989417_100011215416 [0,1,0,0,0,1|1,0,0]=3 5533 B13R1.14 CCC(C)NCc1ccc(cc1)O 271570a_203496583355_100015186513 [0,1,0,0,0,1|1,0,0]=3 5534 B13R1.14 CCC(C)NCc1ccc(cc1)O 34a_100000185549_100011215416 [0,1,0,0,0,1|1,0,0]=3 5535 B13R1.14 CCC(C)NCc1ccc(cn1)Br 207a_100000209981_100000754260 [0,1,0,0,0,1|2,0,0]=4 5536 B13R1.14 CCC(C)NCc1ccc(cn1)Br 2230a_100000209981_100000702658 [0,1,0,0,0,1|2,0,0]=4 5537 B13R1.14 CCC(C)NCc1ccc(cn1)Br 270004a_100000209981_100000754260 [0,1,0,0,0,1|2,0,0]=4 5538 B13R1.14 CCC(C)NCc1ccc(cn1)Br 34a_100015188789_100011215416 [0,1,0,0,0,1|2,0,0]=4 5539 B13R1.14 CCC(C)NCc1ccc(cn1)C 207a_100000209981_100000050478 [0,1,0,0,0,1|2,0,0]=4 5540 B13R1.14 CCC(C)NCc1ccc(cn1)C 2230a_100000209981_100000691093 [0,1,0,0,0,1|2,0,0]=4 5541 B13R1.14 CCC(C)NCc1ccc(cn1)C 270004a_100000209981_100000050478 [0,1,0,0,0,1|2,0,0]=4 5542 B13R1.14 CCC(C)NCc1ccc(cn1)C 34a_100015187455_100011215416 [0,1,0,0,0,1|2,0,0]=4 5543 B13R1.14 CCC(C)NCc1ccc(cn1)Cl 207a_100000209981_100011361569 [0,1,0,0,0,1|2,0,0]=4 5544 B13R1.14 CCC(C)NCc1ccc(cn1)Cl 2230a_100000209981_100012066911 [0,1,0,0,0,1|2,0,0]=4 5545 B13R1.14 CCC(C)NCc1ccc(cn1)Cl 270004a_100000209981_100011361569 [0,1,0,0,0,1|2,0,0]=4 5546 B13R1.14 CCC(C)NCc1ccc(cn1)Cl 34a_100000697193_100011215416 [0,1,0,0,0,1|2,0,0]=4 5547 B13R1.14 CCC(C)NCc1ccc(cn1)F 207a_100000209981_100011934744 [0,1,0,0,0,1|2,0,0]=4 5548 B13R1.14 CCC(C)NCc1ccc(cn1)F 2230a_100000209981_100000703193 [0,1,0,0,0,1|2,0,0]=4 5549 B13R1.14 CCC(C)NCc1ccc(cn1)F 270004a_100000209981_100011934744 [0,1,0,0,0,1|2,0,0]=4 5550 B13R1.14 CCC(C)NCc1ccc(cn1)F 34a_100020620131_100011215416 [0,1,0,0,0,1|2,0,0]=4 5551 B13R1.14 CCC(C)NCc1ccc(nc1)Br 2230a_100000209981_100009831999 [0,1,0,0,0,1|2,0,0]=4 5552 B13R1.14 CCC(C)NCc1ccc(nc1)Br 2230a_100009817727_100000758301 [0,1,0,0,0,1|2,0,0]=4 5553 B13R1.14 CCC(C)NCc1ccc(nc1)Br 34a_100009817727_100011215416 [0,1,0,0,0,1|2,0,0]=4 5554 B13R1.14 CCC(C)NCc1ccc(nc1)C 2230a_100000209981_100016987292 [0,1,0,0,0,1|2,0,0]=4 5555 B13R1.14 CCC(C)NCc1ccc(nc1)C 270004a_100000209981_100000743784 [0,1,0,0,0,1|2,0,0]=4 5556 B13R1.14 CCC(C)NCc1ccc(nc1)C 34a_100000740942_100011215416 [0,1,0,0,0,1|2,0,0]=4 5557 B13R1.14 CCC(C)NCc1ccc(nc1)Cl 2230a_100000209981_100000735431 [0,1,0,0,0,1|2,0,0]=4 5558 B13R1.14 CCC(C)NCc1ccc(nc1)Cl 2230a_100000735879_100000758301 [0,1,0,0,0,1|2,0,0]=4 5559 B13R1.14 CCC(C)NCc1ccc(nc1)Cl 34a_100000735879_100011215416 [0,1,0,0,0,1|2,0,0]=4 5560 B13R1.14 CCC(C)NCc1ccc(nc1)F 2230a_100000101913_100000758301 [0,1,0,0,0,1|2,0,0]=4 5561 B13R1.14 CCC(C)NCc1ccc(nc1)F 2230a_100000209981_100009820150 [0,1,0,0,0,1|2,0,0]=4 5562 B13R1.14 CCC(C)NCc1ccc(nc1)F 34a_100000101913_100011215416 [0,1,0,0,0,1|2,0,0]=4 5563 B13R1.14 CCC(C)NCc1ccc(nc1)O 207a_100000209981_100011361521 [0,1,0,0,0,1|2,0,0]=4 5564 B13R1.14 CCC(C)NCc1ccc(nc1)O 2230a_100000757128_100000758301 [0,1,0,0,0,1|2,0,0]=4 5565 B13R1.14 CCC(C)OCc1cc[n+](cc1)C 34a_100009831711_100011215416 [0,1,0,0,0,1|2,0,0]=4 5566 B13R1.14 CCC(C)OCc1cc[n+](cc1)[O-] 34a_100000031831_100011215416 [0,1,0,0,0,1|2,0,0]=4 5567 B13R1.14 CCC(C)OCc1cc[n+](cc1)[O-] 7a_100000031831_100000758301 [0,1,0,0,0,1|2,0,0]=4 5568 B13R1.14 CCC(C)OCc1ccc(=O)[nH]c1 34a_100011999846_100011215416 [0,1,0,0,0,1|2,0,0]=4 5569 B13R1.14 CCC(C)OCc1ccc(cc1)Br 34a_100000695286_100011215416 [0,1,0,0,0,1|1,0,0]=3 5570 B13R1.14 CCC(C)OCc1ccc(cc1)Br 7a_100000210228_100011217064 [0,1,0,0,0,1|1,0,0]=3 5571 B13R1.14 CCC(C)OCc1ccc(cc1)C 34a_100011215236_100011215416 [0,1,0,0,0,1|1,0,0]=3 5572 B13R1.14 CCC(C)OCc1ccc(cc1)C 7a_100000210228_100000210814 [0,1,0,0,0,1|1,0,0]=3 5573 B13R1.14 CCC(C)OCc1ccc(cc1)C 7a_100011215236_100000758301 [0,1,0,0,0,1|1,0,0]=3 5574 B13R1.14 CCC(C)OCc1ccc(cc1)Cl 34a_100000211118_100011215416 [0,1,0,0,0,1|1,0,0]=3 5575 B13R1.14 CCC(C)OCc1ccc(cc1)Cl 7a_100000210228_100000187161 [0,1,0,0,0,1|1,0,0]=3 5576 B13R1.14 CCC(C)OCc1ccc(cc1)Cl 7a_100000211118_100000758301 [0,1,0,0,0,1|1,0,0]=3 5577 B13R1.14 CCC(C)OCc1ccc(cc1)F 34a_100000210977_100011215416 [0,1,0,0,0,1|1,0,0]=3 5578 B13R1.14 CCC(C)OCc1ccc(cc1)F 7a_100000210228_100000198546 [0,1,0,0,0,1|1,0,0]=3 5579 B13R1.14 CCC(C)OCc1ccc(cc1)F 7a_100000210977_100000758301 [0,1,0,0,0,1|1,0,0]=3 5580 B13R1.14 CCC(C)OCc1ccc(cc1)I 34a_100000690907_100011215416 [0,1,0,0,0,1|1,0,0]=3 5581 B13R1.14 CCC(C)OCc1ccc(cc1)I 7a_100000210228_100000189116 [0,1,0,0,0,1|1,0,0]=3 5582 B13R1.14 CCC(C)OCc1ccc(cc1)I 7a_100000690907_100000758301 [0,1,0,0,0,1|1,0,0]=3 5583 B13R1.14 CCC(C)OCc1ccc(cc1)N 34a_100011215238_100011215416 [0,1,0,0,0,1|1,0,0]=3 5584 B13R1.14 CCC(C)OCc1ccc(cn1)Br 34a_100000754261_100011215416 [0,1,0,0,0,1|2,0,0]=4 5585 B13R1.14 CCC(C)OCc1ccc(cn1)Br 7a_100000210228_100000702658 [0,1,0,0,0,1|2,0,0]=4 5586 B13R1.14 CCC(C)OCc1ccc(cn1)C 34a_100012001401_100011215416 [0,1,0,0,0,1|2,0,0]=4 5587 B13R1.14 CCC(C)OCc1ccc(cn1)C 7a_100000210228_100000691093 [0,1,0,0,0,1|2,0,0]=4 5588 B13R1.14 CCC(C)OCc1ccc(cn1)Cl 34a_100000703999_100011215416 [0,1,0,0,0,1|2,0,0]=4 5589 B13R1.14 CCC(C)OCc1ccc(cn1)Cl 7a_100000210228_100012066911 [0,1,0,0,0,1|2,0,0]=4 5590 B13R1.14 CCC(C)OCc1ccc(cn1)F 34a_100011999454_100011215416 [0,1,0,0,0,1|2,0,0]=4 5591 B13R1.14 CCC(C)OCc1ccc(cn1)F 7a_100000210228_100000703193 [0,1,0,0,0,1|2,0,0]=4 5592 B13R1.14 CCC(C)OCc1ccc(cn1)N 34a_100011998161_100011215416 [0,1,0,0,0,1|2,0,0]=4 5593 B13R1.14 CCC(C)OCc1ccc(nc1)Br 34a_100009816760_100011215416 [0,1,0,0,0,1|2,0,0]=4 5594 B13R1.14 CCC(C)OCc1ccc(nc1)Br 7a_100000210228_100009831999 [0,1,0,0,0,1|2,0,0]=4 5595 B13R1.14 CCC(C)OCc1ccc(nc1)Br 7a_100009816760_100000758301 [0,1,0,0,0,1|2,0,0]=4 5596 B13R1.14 CCC(C)OCc1ccc(nc1)C 34a_100011248133_100011215416 [0,1,0,0,0,1|2,0,0]=4 5597 B13R1.14 CCC(C)OCc1ccc(nc1)C 7a_100000210228_100016987292 [0,1,0,0,0,1|2,0,0]=4 5598 B13R1.14 CCC(C)OCc1ccc(nc1)Cl 34a_100000755211_100011215416 [0,1,0,0,0,1|2,0,0]=4 5599 B13R1.14 CCC(C)OCc1ccc(nc1)Cl 7a_100000210228_100000735431 [0,1,0,0,0,1|2,0,0]=4 5600 B13R1.14 CCC(C)OCc1ccc(nc1)Cl 7a_100000755211_100000758301 [0,1,0,0,0,1|2,0,0]=4 5601 B13R1.14 CCC(C)OCc1ccc(nc1)F 34a_100000079959_100011215416 [0,1,0,0,0,1|2,0,0]=4 5602 B13R1.14 CCC(C)OCc1ccc(nc1)F 7a_100000210228_100009820150 [0,1,0,0,0,1|2,0,0]=4 5603 B13R1.14 CCC(C)OCc1ccc(nc1)N 34a_100000704267_100011215416 [0,1,0,0,0,1|2,0,0]=4 5604 B13R1.14 CCC(C)SCc1ccc(cc1)Br 62a_100000189115_100000758301 [0,1,0,0,0,1|1,0,0]=3 5605 B13R1.14 CCC(C)SCc1ccc(cc1)Br 62a_100000758301_100000189115 [0,1,0,0,0,1|1,0,0]=3 5606 B13R1.14 CCC(C)SCc1ccc(cc1)C 62a_100000210814_100000758301 [0,1,0,0,0,1|1,0,0]=3 5607 B13R1.14 CCC(C)SCc1ccc(cc1)C 62a_100000758301_100000210814 [0,1,0,0,0,1|1,0,0]=3 5608 B13R1.14 CCC(C)SCc1ccc(cc1)Cl 62a_100000187161_100000758301 [0,1,0,0,0,1|1,0,0]=3 5609 B13R1.14 CCC(C)SCc1ccc(cc1)Cl 62a_100000758301_100000187161 [0,1,0,0,0,1|1,0,0]=3 5610 B13R1.14 CCC(C)SCc1ccc(cc1)F 62a_100000198546_100000758301 [0,1,0,0,0,1|1,0,0]=3 5611 B13R1.14 CCC(C)SCc1ccc(cc1)F 62a_100000758301_100000187164 [0,1,0,0,0,1|1,0,0]=3 5612 B13R1.14 CCC(C)SCc1ccc(cc1)I 62a_100000189116_100000758301 [0,1,0,0,0,1|1,0,0]=3 5613 B13R1.14 CCC(C)SCc1ccc(cc1)I 62a_100000758301_100000189116 [0,1,0,0,0,1|1,0,0]=3 5614 B13R1.14 CCC(C)SCc1ccc(cn1)Br 62a_100000702658_100000758301 [0,1,0,0,0,1|2,0,0]=4 5615 B13R1.14 CCC(C)SCc1ccc(cn1)Br 62a_100000758301_100000702658 [0,1,0,0,0,1|2,0,0]=4 5616 B13R1.14 CCC(C)SCc1ccc(cn1)C 62a_100000691093_100000758301 [0,1,0,0,0,1|2,0,0]=4 5617 B13R1.14 CCC(C)SCc1ccc(cn1)C 62a_100000758301_100000691093 [0,1,0,0,0,1|2,0,0]=4 5618 B13R1.14 CCC(C)SCc1ccc(cn1)Cl 62a_100000758301_100000697101 [0,1,0,0,0,1|2,0,0]=4 5619 B13R1.14 CCC(C)SCc1ccc(cn1)Cl 62a_100012066911_100000758301 [0,1,0,0,0,1|2,0,0]=4 5620 B13R1.14 CCC(C)SCc1ccc(cn1)F 62a_100000703193_100000758301 [0,1,0,0,0,1|2,0,0]=4 5621 B13R1.14 CCC(C)SCc1ccc(cn1)F 62a_100000758301_100000703193 [0,1,0,0,0,1|2,0,0]=4 5622 B13R1.14 CCC(C)SCc1ccc(nc1)Br 62a_100000758301_100009831999 [0,1,0,0,0,1|2,0,0]=4 5623 B13R1.14 CCC(C)SCc1ccc(nc1)Br 62a_100009831999_100000758301 [0,1,0,0,0,1|2,0,0]=4 5624 B13R1.14 CCC(C)SCc1ccc(nc1)C 62a_100000758301_100016987292 [0,1,0,0,0,1|2,0,0]=4 5625 B13R1.14 CCC(C)SCc1ccc(nc1)C 62a_100016987292_100000758301 [0,1,0,0,0,1|2,0,0]=4 5626 B13R1.14 CCC(C)SCc1ccc(nc1)Cl 62a_100000735431_100000758301 [0,1,0,0,0,1|2,0,0]=4 5627 B13R1.14 CCC(C)SCc1ccc(nc1)Cl 62a_100000758301_100000735431 [0,1,0,0,0,1|2,0,0]=4 5628 B13R1.14 CCC(C)SCc1ccc(nc1)F 62a_100000758301_100000099788 [0,1,0,0,0,1|2,0,0]=4 5629 B13R1.14 CCC(C)SCc1ccc(nc1)F 62a_100009820150_100000758301 [0,1,0,0,0,1|2,0,0]=4 5630 B13R1.14 CCC(O)CNc1ccc(cc1)Br 2230a_100000210018_100011218378 [0,1,0,0,0,1|2,0,0]=4 5631 B13R1.14 CCC(O)CNc1ccc(cc1)Br 34a_100000210018_100011218378 [0,1,0,0,0,1|2,0,0]=4 5632 B13R1.14 CCC(O)CNc1ccc(cc1)C 34a_100000124888_100011218378 [0,1,0,0,0,1|2,0,0]=4 5633 B13R1.14 CCC(O)CNc1ccc(cc1)Cl 2230a_100000210052_100011218378 [0,1,0,0,0,1|2,0,0]=4 5634 B13R1.14 CCC(O)CNc1ccc(cc1)Cl 34a_100000210052_100011218378 [0,1,0,0,0,1|2,0,0]=4 5635 B13R1.14 CCC(O)CNc1ccc(cc1)F 34a_100000185862_100011218378 [0,1,0,0,0,1|2,0,0]=4 5636 B13R1.14 CCC(O)CNc1ccc(cc1)I 34a_100000185761_100011218378 [0,1,0,0,0,1|2,0,0]=4 5637 B13R1.14 CCC(O)CNc1ccc(cc1)O 34a_100000185829_100011218378 [0,1,0,0,0,1|2,0,0]=4 5638 B13R1.14 CCC(O)COc1ccc(cc1)Br 34a_100000185759_100011218378 [0,1,0,0,0,1|2,0,0]=4 5639 B13R1.14 CCC(O)COc1ccc(cc1)Br 7a_100000185759_100011218378 [0,1,0,0,0,1|2,0,0]=4 5640 B13R1.14 CCC(O)COc1ccc(cc1)C 34a_100000210336_100011218378 [0,1,0,0,0,1|2,0,0]=4 5641 B13R1.14 CCC(O)COc1ccc(cc1)C 7a_100000210336_100011218378 [0,1,0,0,0,1|2,0,0]=4 5642 B13R1.14 CCC(O)COc1ccc(cc1)Cl 34a_100000210216_100011218378 [0,1,0,0,0,1|2,0,0]=4 5643 B13R1.14 CCC(O)COc1ccc(cc1)Cl 7a_100000210216_100011218378 [0,1,0,0,0,1|2,0,0]=4 5644 B13R1.14 CCC(O)COc1ccc(cc1)F 34a_100000210339_100011218378 [0,1,0,0,0,1|2,0,0]=4 5645 B13R1.14 CCC(O)COc1ccc(cc1)I 34a_100000212066_100011218378 [0,1,0,0,0,1|2,0,0]=4 5646 B13R1.14 CCC(O)COc1ccc(cc1)I 7a_100000212066_100011218378 [0,1,0,0,0,1|2,0,0]=4 5647 B13R1.14 CCC(O)COc1ccc(cc1)N 34a_100000185829_100011218378 [0,1,0,0,0,1|2,0,0]=4 5648 B13R1.14 CCC(O)CSc1ccc(cc1)Br 62a_100000752885_100011218378 [0,1,0,0,0,1|2,0,0]=4 5649 B13R1.14 CCC(O)CSc1ccc(cc1)Br 62a_100011218378_100000752885 [0,1,0,0,0,1|2,0,0]=4 5650 B13R1.14 CCC(O)CSc1ccc(cc1)C 62a_100000186775_100011218378 [0,1,0,0,0,1|2,0,0]=4 5651 B13R1.14 CCC(O)CSc1ccc(cc1)C 62a_100011218378_100000186775 [0,1,0,0,0,1|2,0,0]=4 5652 B13R1.14 CCC(O)CSc1ccc(cc1)Cl 62a_100000755918_100011218378 [0,1,0,0,0,1|2,0,0]=4 5653 B13R1.14 CCC(O)CSc1ccc(cc1)Cl 62a_100011218378_100000755918 [0,1,0,0,0,1|2,0,0]=4 5654 B13R1.14 CCC(O)CSc1ccc(cc1)F 62a_100000211213_100011218378 [0,1,0,0,0,1|2,0,0]=4 5655 B13R1.14 CCC(O)CSc1ccc(cc1)F 62a_100011218378_100000211213 [0,1,0,0,0,1|2,0,0]=4 5656 B13R1.14 CCC(O)CSc1ccc(cc1)N 62a_100000185761_100011218378 [0,1,0,0,0,1|2,0,0]=4 5657 B13R1.14 CCC(O)CSc1ccc(cc1)N 62a_100011218378_100000185761 [0,1,0,0,0,1|2,0,0]=4 5658 B13R1.14 CCC(O)CSc1ccc(cc1)O 62a_100011218378_100000185759 [0,1,0,0,0,1|2,0,0]=4 5659 B13R1.14 CCN(C)CCc1ccc(cc1)Br 2230a_100000225621_100011740612 [0,1,0,0,0,1|2,0,0]=4 5660 B13R1.14 CCN(C)CCc1ccc(cc1)Br 2230a_100000752880_100000210202 [0,1,0,0,0,1|2,0,0]=4 5661 B13R1.14 CCN(C)CCc1ccc(cc1)Br 269982a_100000225621_100011740612 [0,1,0,0,0,1|2,0,0]=4 5662 B13R1.14 CCN(C)CCc1ccc(cc1)Br 269982a_100000752880_100000204670 [0,1,0,0,0,1|2,0,0]=4 5663 B13R1.14 CCN(C)CCc1ccc(cc1)Br 34a_100000752880_100000210202 [0,1,0,0,0,1|2,0,0]=4 5664 B13R1.14 CCN(C)CCc1ccc(cc1)C 2230a_100000225621_100011713686 [0,1,0,0,0,1|2,0,0]=4 5665 B13R1.14 CCN(C)CCc1ccc(cc1)C 269982a_100000225621_100011713686 [0,1,0,0,0,1|2,0,0]=4 5666 B13R1.14 CCN(C)CCc1ccc(cc1)Cl 2230a_100000225621_100011713675 [0,1,0,0,0,1|2,0,0]=4 5667 B13R1.14 CCN(C)CCc1ccc(cc1)Cl 2230a_100000698262_100000210202 [0,1,0,0,0,1|2,0,0]=4 5668 B13R1.14 CCN(C)CCc1ccc(cc1)Cl 269982a_100000225621_100011713675 [0,1,0,0,0,1|2,0,0]=4 5669 B13R1.14 CCN(C)CCc1ccc(cc1)Cl 269982a_100000698262_100000204670 [0,1,0,0,0,1|2,0,0]=4 5670 B13R1.14 CCN(C)CCc1ccc(cc1)Cl 34a_100000698262_100000210202 [0,1,0,0,0,1|2,0,0]=4 5671 B13R1.14 CCN(C)CCc1ccc(cc1)F 2230a_100000225621_100011217392 [0,1,0,0,0,1|2,0,0]=4 5672 B13R1.14 CCN(C)CCc1ccc(cc1)F 2230a_100102946585_100000210202 [0,1,0,0,0,1|2,0,0]=4 5673 B13R1.14 CCN(C)CCc1ccc(cc1)F 269982a_100000225621_100011217392 [0,1,0,0,0,1|2,0,0]=4 5674 B13R1.14 CCN(C)CCc1ccc(cc1)F 269982a_100102946585_100000204670 [0,1,0,0,0,1|2,0,0]=4 5675 B13R1.14 CCN(C)CCc1ccc(cc1)F 34a_100102946585_100000210202 [0,1,0,0,0,1|2,0,0]=4 5676 B13R1.14 CCN(C)CCc1ccc(cc1)O 2230a_100000225621_100009816426 [0,1,0,0,0,1|2,0,0]=4 5677 B13R1.14 CCN(C)CCc1ccc(cc1)O 2230a_100016989440_100000210202 [0,1,0,0,0,1|2,0,0]=4 5678 B13R1.14 CCN(C)CCc1ccc(cc1)O 269982a_100000225621_100009816426 [0,1,0,0,0,1|2,0,0]=4 5679 B13R1.14 CCN(C)CCc1ccc(cc1)O 269982a_100016989440_100000204670 [0,1,0,0,0,1|2,0,0]=4 5680 B13R1.14 CCN(C)CCc1ccc(cc1)O 34a_100016989440_100000210202 [0,1,0,0,0,1|2,0,0]=4 5681 B13R1.14 CC[C@H](C)CNc1ccc(cc1)Br 2230a_100000210018_100009816398 [0,1,0,0,0,1|1,0,0]=3 5682 B13R1.14 CC[C@H](C)CNc1ccc(cc1)Br 34a_100000210018_100009816398 [0,1,0,0,0,1|1,0,0]=3 5683 B13R1.14 CC[C@H](C)CNc1ccc(cc1)C 34a_100000124888_100009816398 [0,1,0,0,0,1|1,0,0]=3 5684 B13R1.14 CC[C@H](C)CNc1ccc(cc1)Cl 2230a_100000210052_100009816398 [0,1,0,0,0,1|1,0,0]=3 5685 B13R1.14 CC[C@H](C)CNc1ccc(cc1)Cl 34a_100000210052_100009816398 [0,1,0,0,0,1|1,0,0]=3 5686 B13R1.14 CC[C@H](C)CNc1ccc(cc1)F 34a_100000185862_100009816398 [0,1,0,0,0,1|1,0,0]=3 5687 B13R1.14 CC[C@H](C)CNc1ccc(cc1)I 34a_100000185761_100009816398 [0,1,0,0,0,1|1,0,0]=3 5688 B13R1.14 CC[C@H](C)CNc1ccc(cc1)O 34a_100000185829_100009816398 [0,1,0,0,0,1|1,0,0]=3 5689 B13R1.14 CC[C@H](C)COc1ccc(=O)[nH]c1 34a_100000075641_100009816398 [0,1,0,0,0,1|2,0,0]=4 5690 B13R1.14 CC[C@H](C)COc1ccc(cc1)Br 34a_100000185759_100009816398 [0,1,0,0,0,1|1,0,0]=3 5691 B13R1.14 CC[C@H](C)COc1ccc(cc1)Br 7a_100000185759_100009816398 [0,1,0,0,0,1|1,0,0]=3 5692 B13R1.14 CC[C@H](C)COc1ccc(cc1)C 34a_100000210336_100009816398 [0,1,0,0,0,1|1,0,0]=3 5693 B13R1.14 CC[C@H](C)COc1ccc(cc1)C 7a_100000210336_100009816398 [0,1,0,0,0,1|1,0,0]=3 5694 B13R1.14 CC[C@H](C)COc1ccc(cc1)Cl 34a_100000210216_100009816398 [0,1,0,0,0,1|1,0,0]=3 5695 B13R1.14 CC[C@H](C)COc1ccc(cc1)Cl 7a_100000210216_100009816398 [0,1,0,0,0,1|1,0,0]=3 5696 B13R1.14 CC[C@H](C)COc1ccc(cc1)F 34a_100000210339_100009816398 [0,1,0,0,0,1|1,0,0]=3 5697 B13R1.14 CC[C@H](C)COc1ccc(cc1)I 34a_100000212066_100009816398 [0,1,0,0,0,1|1,0,0]=3 5698 B13R1.14 CC[C@H](C)COc1ccc(cc1)I 7a_100000212066_100009816398 [0,1,0,0,0,1|1,0,0]=3 5699 B13R1.14 CC[C@H](C)COc1ccc(cc1)N 34a_100000185829_100009816398 [0,1,0,0,0,1|1,0,0]=3 5700 B13R1.14 CC[C@H](C)COc1ccc(cn1)C 34a_100000759353_100009816398 [0,1,0,0,0,1|2,0,0]=4 5701 B13R1.14 CC[C@H](C)COc1ccc(cn1)Cl 34a_100011215309_100009816398 [0,1,0,0,0,1|2,0,0]=4 5702 B13R1.14 CC[C@H](C)COc1ccc(cn1)F 34a_100000742473_100009816398 [0,1,0,0,0,1|2,0,0]=4 5703 B13R1.14 CC[C@H](C)COc1ccc(cn1)N 34a_100000729260_100009816398 [0,1,0,0,0,1|2,0,0]=4 5704 B13R1.14 CC[C@H](C)COc1ccc(nc1)Br 34a_100000685995_100009816398 [0,1,0,0,0,1|2,0,0]=4 5705 B13R1.14 CC[C@H](C)COc1ccc(nc1)Br 7a_100000685995_100009816398 [0,1,0,0,0,1|2,0,0]=4 5706 B13R1.14 CC[C@H](C)COc1ccc(nc1)C 34a_100000745506_100009816398 [0,1,0,0,0,1|2,0,0]=4 5707 B13R1.14 CC[C@H](C)COc1ccc(nc1)C 7a_100000745506_100009816398 [0,1,0,0,0,1|2,0,0]=4 5708 B13R1.14 CC[C@H](C)COc1ccc(nc1)Cl 34a_100000744096_100009816398 [0,1,0,0,0,1|2,0,0]=4 5709 B13R1.14 CC[C@H](C)COc1ccc(nc1)Cl 7a_100000744096_100009816398 [0,1,0,0,0,1|2,0,0]=4 5710 B13R1.14 CC[C@H](C)COc1ccc(nc1)F 34a_100000688820_100009816398 [0,1,0,0,0,1|2,0,0]=4 5711 B13R1.14 CC[C@H](C)COc1ccc(nc1)F 7a_100000688820_100009816398 [0,1,0,0,0,1|2,0,0]=4 5712 B13R1.14 CC[C@H](C)COc1ccc(nc1)I 34a_100000687607_100009816398 [0,1,0,0,0,1|2,0,0]=4 5713 B13R1.14 CC[C@H](C)COc1ccc(nc1)I 7a_100000687607_100009816398 [0,1,0,0,0,1|2,0,0]=4 5714 B13R1.14 CC[C@H](C)COc1ccc(nc1)N 34a_100015188713_100009816398 [0,1,0,0,0,1|2,0,0]=4 5715 B13R1.14 CC[C@H](C)COc1ccc(nc1)N 7a_100015188713_100009816398 [0,1,0,0,0,1|2,0,0]=4 5716 B13R1.14 CC[C@H](C)CSc1cc[n+](cc1)[O-] 62a_100009816398_100000039755 [0,1,0,0,0,1|2,0,0]=4 5717 B13R1.14 CC[C@H](C)CSc1ccc(=O)[nH]c1 62a_100000212171_100009816398 [0,1,0,0,0,1|2,0,0]=4 5718 B13R1.14 CC[C@H](C)CSc1ccc(=O)[nH]c1 62a_100009816398_100000212171 [0,1,0,0,0,1|2,0,0]=4 5719 B13R1.14 CC[C@H](C)CSc1ccc(cc1)Br 62a_100000752885_100009816398 [0,1,0,0,0,1|1,0,0]=3 5720 B13R1.14 CC[C@H](C)CSc1ccc(cc1)Br 62a_100009816398_100000752885 [0,1,0,0,0,1|1,0,0]=3 5721 B13R1.14 CC[C@H](C)CSc1ccc(cc1)C 62a_100000186775_100009816398 [0,1,0,0,0,1|1,0,0]=3 5722 B13R1.14 CC[C@H](C)CSc1ccc(cc1)C 62a_100009816398_100000186775 [0,1,0,0,0,1|1,0,0]=3 5723 B13R1.14 CC[C@H](C)CSc1ccc(cc1)Cl 62a_100000755918_100009816398 [0,1,0,0,0,1|1,0,0]=3 5724 B13R1.14 CC[C@H](C)CSc1ccc(cc1)Cl 62a_100009816398_100000755918 [0,1,0,0,0,1|1,0,0]=3 5725 B13R1.14 CC[C@H](C)CSc1ccc(cc1)F 62a_100000211213_100009816398 [0,1,0,0,0,1|1,0,0]=3 5726 B13R1.14 CC[C@H](C)CSc1ccc(cc1)F 62a_100009816398_100000211213 [0,1,0,0,0,1|1,0,0]=3 5727 B13R1.14 CC[C@H](C)CSc1ccc(cc1)N 62a_100000185761_100009816398 [0,1,0,0,0,1|1,0,0]=3 5728 B13R1.14 CC[C@H](C)CSc1ccc(cc1)N 62a_100009816398_100000185761 [0,1,0,0,0,1|1,0,0]=3 5729 B13R1.14 CC[C@H](C)CSc1ccc(cc1)O 62a_100009816398_100000185759 [0,1,0,0,0,1|1,0,0]=3 5730 B13R1.14 CC[C@H](C)CSc1ccc(cn1)Br 62a_100000686858_100009816398 [0,1,0,0,0,1|2,0,0]=4 5731 B13R1.14 CC[C@H](C)CSc1ccc(cn1)Br 62a_100009816398_100000686858 [0,1,0,0,0,1|2,0,0]=4 5732 B13R1.14 CC[C@H](C)CSc1ccc(cn1)C 62a_100009816398_100000754016 [0,1,0,0,0,1|2,0,0]=4 5733 B13R1.14 CC[C@H](C)CSc1ccc(cn1)C 62a_100011192072_100009816398 [0,1,0,0,0,1|2,0,0]=4 5734 B13R1.14 CC[C@H](C)CSc1ccc(cn1)Cl 62a_100009816398_100011356976 [0,1,0,0,0,1|2,0,0]=4 5735 B13R1.14 CC[C@H](C)CSc1ccc(cn1)Cl 62a_100011356976_100009816398 [0,1,0,0,0,1|2,0,0]=4 5736 B13R1.14 CC[C@H](C)CSc1ccc(cn1)F 62a_100000744514_100009816398 [0,1,0,0,0,1|2,0,0]=4 5737 B13R1.14 CC[C@H](C)CSc1ccc(cn1)F 62a_100009816398_100000744514 [0,1,0,0,0,1|2,0,0]=4 5738 B13R1.14 CC[C@H](C)CSc1ccc(cn1)N 62a_100000737798_100009816398 [0,1,0,0,0,1|2,0,0]=4 5739 B13R1.14 CC[C@H](C)CSc1ccc(cn1)N 62a_100009816398_100000737798 [0,1,0,0,0,1|2,0,0]=4 5740 B13R1.14 CC[C@H](C)CSc1ccc(cn1)O 62a_100000685995_100009816398 [0,1,0,0,0,1|2,0,0]=4 5741 B13R1.14 CC[C@H](C)CSc1ccc(cn1)O 62a_100009816398_100000744096 [0,1,0,0,0,1|2,0,0]=4 5742 B13R1.14 CC[C@H](C)CSc1ccc(nc1)Br 62a_100009814638_100009816398 [0,1,0,0,0,1|2,0,0]=4 5743 B13R1.14 CC[C@H](C)CSc1ccc(nc1)Br 62a_100009816398_100009814638 [0,1,0,0,0,1|2,0,0]=4 5744 B13R1.14 CC[C@H](C)CSc1ccc(nc1)C 62a_100000751577_100009816398 [0,1,0,0,0,1|2,0,0]=4 5745 B13R1.14 CC[C@H](C)CSc1ccc(nc1)C 62a_100009816398_100000751577 [0,1,0,0,0,1|2,0,0]=4 5746 B13R1.14 CC[C@H](C)CSc1ccc(nc1)Cl 62a_100000034144_100009816398 [0,1,0,0,0,1|2,0,0]=4 5747 B13R1.14 CC[C@H](C)CSc1ccc(nc1)Cl 62a_100009816398_100000034144 [0,1,0,0,0,1|2,0,0]=4 5748 B13R1.14 CC[C@H](C)CSc1ccc(nc1)F 62a_100000042367_100009816398 [0,1,0,0,0,1|2,0,0]=4 5749 B13R1.14 CC[C@H](C)CSc1ccc(nc1)F 62a_100009816398_100000042367 [0,1,0,0,0,1|2,0,0]=4 5750 B13R1.14 CC[C@H](C)CSc1ccc(nc1)N 62a_100000187370_100009816398 [0,1,0,0,0,1|2,0,0]=4 5751 B13R1.14 CC[C@H](C)CSc1ccc(nc1)N 62a_100009816398_100000187370 [0,1,0,0,0,1|2,0,0]=4 5752 B13R1.14 CNC(=O)CCc1ccc(cc1)Br 11a_106832991635_100000217147 [0,1,0,0,0,1|1,0,1]=4 5753 B13R1.14 CNC(=O)CCc1ccc(cc1)Br 1626a_100102657272_100000217147 [0,1,0,0,0,1|1,0,1]=4 5754 B13R1.14 CNC(=O)CCc1ccc(cc1)Br 240690a_100102657272_100000217147 [0,1,0,0,0,1|1,0,1]=4 5755 B13R1.14 CNC(=O)CCc1ccc(cc1)Br 527a_100102657272_100000217147 [0,1,0,0,0,1|1,0,1]=4 5756 B13R1.14 CNC(=O)CCc1ccc(cc1)C 11a_106832991635_100000234883 [0,1,0,0,0,1|1,0,1]=4 5757 B13R1.14 CNC(=O)CCc1ccc(cc1)C 1626a_100102657272_100000234883 [0,1,0,0,0,1|1,0,1]=4 5758 B13R1.14 CNC(=O)CCc1ccc(cc1)C 240690a_100102657272_100000234883 [0,1,0,0,0,1|1,0,1]=4 5759 B13R1.14 CNC(=O)CCc1ccc(cc1)C 527a_100102657272_100000234883 [0,1,0,0,0,1|1,0,1]=4 5760 B13R1.14 CNC(=O)CCc1ccc(cc1)Cl 11a_106832991635_100000235379 [0,1,0,0,0,1|1,0,1]=4 5761 B13R1.14 CNC(=O)CCc1ccc(cc1)Cl 1626a_100102657272_100000235379 [0,1,0,0,0,1|1,0,1]=4 5762 B13R1.14 CNC(=O)CCc1ccc(cc1)Cl 240690a_100102657272_100000235379 [0,1,0,0,0,1|1,0,1]=4 5763 B13R1.14 CNC(=O)CCc1ccc(cc1)Cl 527a_100102657272_100000235379 [0,1,0,0,0,1|1,0,1]=4 5764 B13R1.14 CNC(=O)CCc1ccc(cc1)F 11a_106832991635_100000198493 [0,1,0,0,0,1|1,0,1]=4 5765 B13R1.14 CNC(=O)CCc1ccc(cc1)F 1626a_100102657272_100000198493 [0,1,0,0,0,1|1,0,1]=4 5766 B13R1.14 CNC(=O)CCc1ccc(cc1)F 240690a_100102657272_100000198493 [0,1,0,0,0,1|1,0,1]=4 5767 B13R1.14 CNC(=O)CCc1ccc(cc1)F 527a_100102657272_100000198493 [0,1,0,0,0,1|1,0,1]=4 5768 B13R1.14 CNC(=O)CCc1ccc(cc1)I 11a_106832991635_100011217499 [0,1,0,0,0,1|1,0,1]=4 5769 B13R1.14 CNC(=O)CCc1ccc(cc1)I 1626a_100102657272_100011217499 [0,1,0,0,0,1|1,0,1]=4 5770 B13R1.14 CNC(=O)CCc1ccc(cc1)I 240690a_100102657272_100011217499 [0,1,0,0,0,1|1,0,1]=4 5771 B13R1.14 CNC(=O)CCc1ccc(cc1)I 527a_100102657272_100011217499 [0,1,0,0,0,1|1,0,1]=4 5772 B13R1.14 CNC(=O)CCc1ccc(cc1)O 240690a_100102657272_100000742835 [0,1,0,0,0,1|1,0,1]=4 5773 B13R1.14 CNC(=O)CCc1ccc(cc1)O 271570a_203496583355_200010273138 [0,1,0,0,0,1|1,0,1]=4 5774 B13R1.14 CNC(=O)CNc1ccc(cc1)Br 2230a_100000210018_100000183359 [0,1,0,0,0,1|1,0,1]=4 5775 B13R1.14 CNC(=O)CNc1ccc(cc1)Br 34a_100000210018_100000183359 [0,1,0,0,0,1|1,0,1]=4 5776 B13R1.14 CNC(=O)CNc1ccc(cc1)C 34a_100000124888_100000183359 [0,1,0,0,0,1|1,0,1]=4 5777 B13R1.14 CNC(=O)CNc1ccc(cc1)Cl 2230a_100000210052_100000183359 [0,1,0,0,0,1|1,0,1]=4 5778 B13R1.14 CNC(=O)CNc1ccc(cc1)Cl 34a_100000210052_100000183359 [0,1,0,0,0,1|1,0,1]=4 5779 B13R1.14 CNC(=O)CNc1ccc(cc1)F 34a_100000185862_100000183359 [0,1,0,0,0,1|1,0,1]=4 5780 B13R1.14 CNC(=O)CNc1ccc(cc1)I 34a_100000185761_100000183359 [0,1,0,0,0,1|1,0,1]=4 5781 B13R1.14 CNC(=O)CNc1ccc(cc1)O 34a_100000185829_100000183359 [0,1,0,0,0,1|1,0,1]=4 5782 B13R1.14 CNC(=O)COc1ccc(cc1)Br 11a_106832991635_100000182358 [0,1,0,0,0,1|1,0,1]=4 5783 B13R1.14 CNC(=O)COc1ccc(cc1)Br 1626a_100102657272_100000182358 [0,1,0,0,0,1|1,0,1]=4 5784 B13R1.14 CNC(=O)COc1ccc(cc1)Br 240690a_100102657272_100000182358 [0,1,0,0,0,1|1,0,1]=4 5785 B13R1.14 CNC(=O)COc1ccc(cc1)Br 34a_100000185759_100000183359 [0,1,0,0,0,1|1,0,1]=4 5786 B13R1.14 CNC(=O)COc1ccc(cc1)Br 527a_100102657272_100000182358 [0,1,0,0,0,1|1,0,1]=4 5787 B13R1.14 CNC(=O)COc1ccc(cc1)Br 7a_100000185759_100000183359 [0,1,0,0,0,1|1,0,1]=4 5788 B13R1.14 CNC(=O)COc1ccc(cc1)C 11a_106832991635_100000182360 [0,1,0,0,0,1|1,0,1]=4 5789 B13R1.14 CNC(=O)COc1ccc(cc1)C 1626a_100102657272_100000182360 [0,1,0,0,0,1|1,0,1]=4 5790 B13R1.14 CNC(=O)COc1ccc(cc1)C 240690a_100102657272_100000182360 [0,1,0,0,0,1|1,0,1]=4 5791 B13R1.14 CNC(=O)COc1ccc(cc1)C 34a_100000210336_100000183359 [0,1,0,0,0,1|1,0,1]=4 5792 B13R1.14 CNC(=O)COc1ccc(cc1)C 527a_100102657272_100000182360 [0,1,0,0,0,1|1,0,1]=4 5793 B13R1.14 CNC(=O)COc1ccc(cc1)C 7a_100000210336_100000183359 [0,1,0,0,0,1|1,0,1]=4 5794 B13R1.14 CNC(=O)COc1ccc(cc1)Cl 11a_106832991635_100016990877 [0,1,0,0,0,1|1,0,1]=4 5795 B13R1.14 CNC(=O)COc1ccc(cc1)Cl 1626a_100102657272_100016990877 [0,1,0,0,0,1|1,0,1]=4 5796 B13R1.14 CNC(=O)COc1ccc(cc1)Cl 240690a_100102657272_100016990877 [0,1,0,0,0,1|1,0,1]=4 5797 B13R1.14 CNC(=O)COc1ccc(cc1)Cl 34a_100000210216_100000183359 [0,1,0,0,0,1|1,0,1]=4 5798 B13R1.14 CNC(=O)COc1ccc(cc1)Cl 527a_100102657272_100016990877 [0,1,0,0,0,1|1,0,1]=4 5799 B13R1.14 CNC(=O)COc1ccc(cc1)Cl 7a_100000210216_100000183359 [0,1,0,0,0,1|1,0,1]=4 5800 B13R1.14 CNC(=O)COc1ccc(cc1)F 11a_106832991635_100000184765 [0,1,0,0,0,1|1,0,1]=4 5801 B13R1.14 CNC(=O)COc1ccc(cc1)F 1626a_100102657272_100000184765 [0,1,0,0,0,1|1,0,1]=4 5802 B13R1.14 CNC(=O)COc1ccc(cc1)F 240690a_100102657272_100000184765 [0,1,0,0,0,1|1,0,1]=4 5803 B13R1.14 CNC(=O)COc1ccc(cc1)F 34a_100000210339_100000183359 [0,1,0,0,0,1|1,0,1]=4 5804 B13R1.14 CNC(=O)COc1ccc(cc1)F 527a_100102657272_100000184765 [0,1,0,0,0,1|1,0,1]=4 5805 B13R1.14 CNC(=O)COc1ccc(cc1)I 11a_106832991635_100000184369 [0,1,0,0,0,1|1,0,1]=4 5806 B13R1.14 CNC(=O)COc1ccc(cc1)I 1626a_100102657272_100000184369 [0,1,0,0,0,1|1,0,1]=4 5807 B13R1.14 CNC(=O)COc1ccc(cc1)I 240690a_100102657272_100000184369 [0,1,0,0,0,1|1,0,1]=4 5808 B13R1.14 CNC(=O)COc1ccc(cc1)I 34a_100000212066_100000183359 [0,1,0,0,0,1|1,0,1]=4 5809 B13R1.14 CNC(=O)COc1ccc(cc1)I 527a_100102657272_100000184369 [0,1,0,0,0,1|1,0,1]=4 5810 B13R1.14 CNC(=O)COc1ccc(cc1)I 7a_100000212066_100000183359 [0,1,0,0,0,1|1,0,1]=4 5811 B13R1.14 CNC(=O)COc1ccc(cc1)N 34a_100000185829_100000183359 [0,1,0,0,0,1|1,0,1]=4 5812 B13R1.14 CNC(=O)COc1ccc(cc1)O 240690a_100102657272_100000031633 [0,1,0,0,0,1|1,0,1]=4 5813 B13R1.14 CNC(=O)COc1ccc(cc1)O 271570a_203496583355_200000150405 [0,1,0,0,0,1|1,0,1]=4 5814 B13R1.14 CNC(=O)COc1ccc(cc1)O 527a_100102657272_100000031633 [0,1,0,0,0,1|1,0,1]=4 5815 B13R1.14 CNC(=O)CSc1ccc(cc1)Br 11a_106832991635_100000179496 [0,1,0,0,0,1|1,0,1]=4 5816 B13R1.14 CNC(=O)CSc1ccc(cc1)Br 1626a_100102657272_100000179496 [0,1,0,0,0,1|1,0,1]=4 5817 B13R1.14 CNC(=O)CSc1ccc(cc1)Br 240690a_100102657272_100000179496 [0,1,0,0,0,1|1,0,1]=4 5818 B13R1.14 CNC(=O)CSc1ccc(cc1)Br 527a_100102657272_100000179496 [0,1,0,0,0,1|1,0,1]=4 5819 B13R1.14 CNC(=O)CSc1ccc(cc1)Br 62a_100000183359_100000752885 [0,1,0,0,0,1|1,0,1]=4 5820 B13R1.14 CNC(=O)CSc1ccc(cc1)Br 62a_100000752885_100000183359 [0,1,0,0,0,1|1,0,1]=4 5821 B13R1.14 CNC(=O)CSc1ccc(cc1)C 11a_106832991635_100000179497 [0,1,0,0,0,1|1,0,1]=4 5822 B13R1.14 CNC(=O)CSc1ccc(cc1)C 1626a_100102657272_100000179497 [0,1,0,0,0,1|1,0,1]=4 5823 B13R1.14 CNC(=O)CSc1ccc(cc1)C 240690a_100102657272_100000179497 [0,1,0,0,0,1|1,0,1]=4 5824 B13R1.14 CNC(=O)CSc1ccc(cc1)C 527a_100102657272_100000179497 [0,1,0,0,0,1|1,0,1]=4 5825 B13R1.14 CNC(=O)CSc1ccc(cc1)C 62a_100000183359_100000186775 [0,1,0,0,0,1|1,0,1]=4 5826 B13R1.14 CNC(=O)CSc1ccc(cc1)C 62a_100000186775_100000183359 [0,1,0,0,0,1|1,0,1]=4 5827 B13R1.14 CNC(=O)CSc1ccc(cc1)Cl 11a_106832991635_100000178402 [0,1,0,0,0,1|1,0,1]=4 5828 B13R1.14 CNC(=O)CSc1ccc(cc1)Cl 1626a_100102657272_100000178402 [0,1,0,0,0,1|1,0,1]=4 5829 B13R1.14 CNC(=O)CSc1ccc(cc1)Cl 240690a_100102657272_100000178402 [0,1,0,0,0,1|1,0,1]=4 5830 B13R1.14 CNC(=O)CSc1ccc(cc1)Cl 527a_100102657272_100000178402 [0,1,0,0,0,1|1,0,1]=4 5831 B13R1.14 CNC(=O)CSc1ccc(cc1)Cl 62a_100000183359_100000755918 [0,1,0,0,0,1|1,0,1]=4 5832 B13R1.14 CNC(=O)CSc1ccc(cc1)Cl 62a_100000755918_100000183359 [0,1,0,0,0,1|1,0,1]=4 5833 B13R1.14 CNC(=O)CSc1ccc(cc1)F 11a_106832991635_100000691584 [0,1,0,0,0,1|1,0,1]=4 5834 B13R1.14 CNC(=O)CSc1ccc(cc1)F 1626a_100102657272_100000691584 [0,1,0,0,0,1|1,0,1]=4 5835 B13R1.14 CNC(=O)CSc1ccc(cc1)F 240690a_100102657272_100000691584 [0,1,0,0,0,1|1,0,1]=4 5836 B13R1.14 CNC(=O)CSc1ccc(cc1)F 527a_100102657272_100000691584 [0,1,0,0,0,1|1,0,1]=4 5837 B13R1.14 CNC(=O)CSc1ccc(cc1)F 62a_100000183359_100000211213 [0,1,0,0,0,1|1,0,1]=4 5838 B13R1.14 CNC(=O)CSc1ccc(cc1)F 62a_100000211213_100000183359 [0,1,0,0,0,1|1,0,1]=4 5839 B13R1.14 CNC(=O)CSc1ccc(cc1)N 62a_100000183359_100000185761 [0,1,0,0,0,1|1,0,1]=4 5840 B13R1.14 CNC(=O)CSc1ccc(cc1)N 62a_100000185761_100000183359 [0,1,0,0,0,1|1,0,1]=4 5841 B13R1.14 CNC(=O)CSc1ccc(cc1)O 62a_100000183359_100000185759 [0,1,0,0,0,1|1,0,1]=4 5842 B13R1.14 CNC(=O)NCc1ccc(cc1)Br 2708a_100000174875_106832991635 [0,1,0,0,0,1|1,0,1]=4 5843 B13R1.14 CNC(=O)NCc1ccc(cc1)Br 2708a_100102657272_100000174875 [0,1,0,0,0,1|1,0,1]=4 5844 B13R1.14 CNC(=O)NCc1ccc(cc1)Br 273464a_100000174875_100102657272 [0,1,0,0,0,1|1,0,1]=4 5845 B13R1.14 CNC(=O)NCc1ccc(cc1)Br 273464a_100102657272_100000174875 [0,1,0,0,0,1|1,0,1]=4 5846 B13R1.14 CNC(=O)NCc1ccc(cc1)Br 512a_100000174875_100102657272 [0,1,0,0,0,1|1,0,1]=4 5847 B13R1.14 CNC(=O)NCc1ccc(cc1)Br 512a_106832991638_100000174875 [0,1,0,0,0,1|1,0,1]=4 5848 B13R1.14 CNC(=O)NCc1ccc(cc1)C 2708a_100000174908_106832991635 [0,1,0,0,0,1|1,0,1]=4 5849 B13R1.14 CNC(=O)NCc1ccc(cc1)C 2708a_100102657272_100000174908 [0,1,0,0,0,1|1,0,1]=4 5850 B13R1.14 CNC(=O)NCc1ccc(cc1)C 273464a_100000174908_100102657272 [0,1,0,0,0,1|1,0,1]=4 5851 B13R1.14 CNC(=O)NCc1ccc(cc1)C 273464a_100102657272_100000174908 [0,1,0,0,0,1|1,0,1]=4 5852 B13R1.14 CNC(=O)NCc1ccc(cc1)C 512a_100000174908_100102657272 [0,1,0,0,0,1|1,0,1]=4 5853 B13R1.14 CNC(=O)NCc1ccc(cc1)C 512a_106832991638_100000174908 [0,1,0,0,0,1|1,0,1]=4 5854 B13R1.14 CNC(=O)NCc1ccc(cc1)Cl 2708a_100000174871_106832991635 [0,1,0,0,0,1|1,0,1]=4 5855 B13R1.14 CNC(=O)NCc1ccc(cc1)Cl 2708a_100102657272_100000174871 [0,1,0,0,0,1|1,0,1]=4 5856 B13R1.14 CNC(=O)NCc1ccc(cc1)Cl 273464a_100000174871_100102657272 [0,1,0,0,0,1|1,0,1]=4 5857 B13R1.14 CNC(=O)NCc1ccc(cc1)Cl 273464a_100102657272_100000174871 [0,1,0,0,0,1|1,0,1]=4 5858 B13R1.14 CNC(=O)NCc1ccc(cc1)Cl 512a_106832991638_100000174871 [0,1,0,0,0,1|1,0,1]=4 5859 B13R1.14 CNC(=O)NCc1ccc(cc1)F 2708a_100000174882_106832991635 [0,1,0,0,0,1|1,0,1]=4 5860 B13R1.14 CNC(=O)NCc1ccc(cc1)F 2708a_100102657272_100000174882 [0,1,0,0,0,1|1,0,1]=4 5861 B13R1.14 CNC(=O)NCc1ccc(cc1)F 273464a_100000174882_100102657272 [0,1,0,0,0,1|1,0,1]=4 5862 B13R1.14 CNC(=O)NCc1ccc(cc1)F 273464a_100102657272_100000174882 [0,1,0,0,0,1|1,0,1]=4 5863 B13R1.14 CNC(=O)NCc1ccc(cc1)F 512a_100000174882_100102657272 [0,1,0,0,0,1|1,0,1]=4 5864 B13R1.14 CNC(=O)NCc1ccc(cc1)F 512a_106832991638_100000174882 [0,1,0,0,0,1|1,0,1]=4 5865 B13R1.14 CNC(=O)NCc1ccc(cc1)I 2708a_100016989417_106832991635 [0,1,0,0,0,1|1,0,1]=4 5866 B13R1.14 CNC(=O)NCc1ccc(cc1)I 2708a_100102657272_100016989417 [0,1,0,0,0,1|1,0,1]=4 5867 B13R1.14 CNC(=O)NCc1ccc(cc1)I 273464a_100016989417_100102657272 [0,1,0,0,0,1|1,0,1]=4 5868 B13R1.14 CNC(=O)NCc1ccc(cc1)I 273464a_100102657272_100016989417 [0,1,0,0,0,1|1,0,1]=4 5869 B13R1.14 CNC(=O)NCc1ccc(cc1)I 512a_100016989417_100102657272 [0,1,0,0,0,1|1,0,1]=4 5870 B13R1.14 CNC(=O)NCc1ccc(cc1)I 512a_106832991638_100016989417 [0,1,0,0,0,1|1,0,1]=4 5871 B13R1.14 CNC(=O)NCc1ccc(cc1)O 2708a_100000185549_106832991635 [0,1,0,0,0,1|1,0,1]=4 5872 B13R1.14 CNC(=O)NCc1ccc(cc1)O 2708a_100102657272_100000185549 [0,1,0,0,0,1|1,0,1]=4 5873 B13R1.14 CNC(=O)NCc1ccc(cc1)O 273464a_100000185549_100102657272 [0,1,0,0,0,1|1,0,1]=4 5874 B13R1.14 CNC(=O)NCc1ccc(cc1)O 273464a_100102657272_100000185549 [0,1,0,0,0,1|1,0,1]=4 5875 B13R1.14 CNC(=O)NCc1ccc(cc1)O 512a_106832991638_100000185549 [0,1,0,0,0,1|1,0,1]=4 5876 B13R1.14 CNC(C)CCc1ccc(cc1)Cl 270004a_106832991635_100011279170 [0,1,0,0,0,1|0,0,0]=2 5877 B13R1.14 CNC(C)CCc1ccc(cc1)F 270004a_106832991635_100000743244 [0,1,0,0,0,1|0,0,0]=2 5878 B13R1.14 CNC(C)CCc1ccc(cc1)I 270004a_106832991635_100000723691 [0,1,0,0,0,1|0,0,0]=2 5879 B13R1.14 CNC(C)CCc1ccc(cc1)O 270004a_106832991635_100000198047 [0,1,0,0,0,1|0,0,0]=2 5880 B13R1.14 CNC(C)COc1ccc(cc1)C 2230a_100000743913_200000210301 [0,1,0,0,0,1|0,0,0]=2 5881 B13R1.14 CNC(C)COc1ccc(cc1)C 34a_100000743913_200000210301 [0,1,0,0,0,1|0,0,0]=2 5882 B13R1.14 CNC(C)COc1ccc(cc1)Cl 270004a_106832991635_200000150450 [0,1,0,0,0,1|0,0,0]=2 5883 B13R1.14 CNC(C)CSc1ccc(cc1)C 270004a_106832991635_100000172844 [0,1,0,0,0,1|0,0,0]=2 5884 B13R1.14 CNC(C)CSc1ccc(cc1)Cl 270004a_106832991635_100000150472 [0,1,0,0,0,1|0,0,0]=2 5885 B13R1.14 CNC(C)CSc1ccc(cc1)F 270004a_106832991635_200000148136 [0,1,0,0,0,1|0,0,0]=2 5886 B13R1.14 COC(C)COc1ccc(cc1)C 34a_100011217472_200000210301 [0,1,0,0,0,1|1,0,0]=3 5887 B13R1.14 COC(C)COc1ccc(cc1)C 7a_100011217472_200000210301 [0,1,0,0,0,1|1,0,0]=3 5888 B13R1.14 COC(C)SCc1ccc(cc1)Br 62a_100000189115_100009879195 [0,1,0,0,0,1|1,0,0]=3 5889 B13R1.14 COC(C)SCc1ccc(cc1)Br 62a_100009879195_100000189115 [0,1,0,0,0,1|1,0,0]=3 5890 B13R1.14 COC(C)SCc1ccc(cc1)C 62a_100000210814_100009879195 [0,1,0,0,0,1|1,0,0]=3 5891 B13R1.14 COC(C)SCc1ccc(cc1)C 62a_100009879195_100000210814 [0,1,0,0,0,1|1,0,0]=3 5892 B13R1.14 COC(C)SCc1ccc(cc1)Cl 62a_100000187161_100009879195 [0,1,0,0,0,1|1,0,0]=3 5893 B13R1.14 COC(C)SCc1ccc(cc1)Cl 62a_100009879195_100000187161 [0,1,0,0,0,1|1,0,0]=3 5894 B13R1.14 COC(C)SCc1ccc(cc1)F 62a_100000198546_100009879195 [0,1,0,0,0,1|1,0,0]=3 5895 B13R1.14 COC(C)SCc1ccc(cc1)F 62a_100009879195_100000187164 [0,1,0,0,0,1|1,0,0]=3 5896 B13R1.14 COC(C)SCc1ccc(cc1)I 62a_100000189116_100009879195 [0,1,0,0,0,1|1,0,0]=3 5897 B13R1.14 COC(C)SCc1ccc(cc1)I 62a_100009879195_100000189116 [0,1,0,0,0,1|1,0,0]=3 5898 B13R1.14 COC(C)SCc1ccc(cn1)Br 62a_100000702658_100009879195 [0,1,0,0,0,1|2,0,0]=4 5899 B13R1.14 COC(C)SCc1ccc(cn1)Br 62a_100009879195_100000702658 [0,1,0,0,0,1|2,0,0]=4 5900 B13R1.14 COC(C)SCc1ccc(cn1)C 62a_100000691093_100009879195 [0,1,0,0,0,1|2,0,0]=4 5901 B13R1.14 COC(C)SCc1ccc(cn1)C 62a_100009879195_100000691093 [0,1,0,0,0,1|2,0,0]=4 5902 B13R1.14 COC(C)SCc1ccc(cn1)Cl 62a_100009879195_100000697101 [0,1,0,0,0,1|2,0,0]=4 5903 B13R1.14 COC(C)SCc1ccc(cn1)Cl 62a_100012066911_100009879195 [0,1,0,0,0,1|2,0,0]=4 5904 B13R1.14 COC(C)SCc1ccc(cn1)F 62a_100000703193_100009879195 [0,1,0,0,0,1|2,0,0]=4 5905 B13R1.14 COC(C)SCc1ccc(cn1)F 62a_100009879195_100000703193 [0,1,0,0,0,1|2,0,0]=4 5906 B13R1.14 COC(C)SCc1ccc(nc1)Br 62a_100009831999_100009879195 [0,1,0,0,0,1|2,0,0]=4 5907 B13R1.14 COC(C)SCc1ccc(nc1)Br 62a_100009879195_100009831999 [0,1,0,0,0,1|2,0,0]=4 5908 B13R1.14 COC(C)SCc1ccc(nc1)C 62a_100009879195_100016987292 [0,1,0,0,0,1|2,0,0]=4 5909 B13R1.14 COC(C)SCc1ccc(nc1)C 62a_100016987292_100009879195 [0,1,0,0,0,1|2,0,0]=4 5910 B13R1.14 COC(C)SCc1ccc(nc1)Cl 62a_100000735431_100009879195 [0,1,0,0,0,1|2,0,0]=4 5911 B13R1.14 COC(C)SCc1ccc(nc1)Cl 62a_100009879195_100000735431 [0,1,0,0,0,1|2,0,0]=4 5912 B13R1.14 COC(C)SCc1ccc(nc1)F 62a_100009820150_100009879195 [0,1,0,0,0,1|2,0,0]=4 5913 B13R1.14 COC(C)SCc1ccc(nc1)F 62a_100009879195_100000099788 [0,1,0,0,0,1|2,0,0]=4 5914 B13R1.14 CO[C@H](C)CNc1ccc(cn1)Br 27a_100020591295_100000686858 [0,1,0,0,0,1|2,0,0]=4 5915 B13R1.14 C[C@@H](CO)CNc1ccc(cc1)Br 2230a_100000210018_100000059175 [0,1,0,0,0,1|2,0,0]=4 5916 B13R1.14 C[C@@H](CO)CNc1ccc(cc1)Br 34a_100000210018_100000059175 [0,1,0,0,0,1|2,0,0]=4 5917 B13R1.14 C[C@@H](CO)CNc1ccc(cc1)Cl 2230a_100000210052_100000059175 [0,1,0,0,0,1|2,0,0]=4 5918 B13R1.14 C[C@@H](CO)CNc1ccc(cc1)Cl 34a_100000210052_100000059175 [0,1,0,0,0,1|2,0,0]=4 5919 B13R1.14 C[C@@H](CO)CNc1ccc(cc1)F 34a_100000185862_100000059175 [0,1,0,0,0,1|2,0,0]=4 5920 B13R1.14 C[C@@H](CO)CNc1ccc(cc1)I 34a_100000185761_100000059175 [0,1,0,0,0,1|2,0,0]=4 5921 B13R1.14 C[C@@H](CO)CNc1ccc(cc1)O 34a_100000185829_100000059175 [0,1,0,0,0,1|2,0,0]=4 5922 B13R1.14 C[C@@H](CO)COc1ccc(cc1)Br 34a_100000185759_100000059175 [0,1,0,0,0,1|2,0,0]=4 5923 B13R1.14 C[C@@H](CO)COc1ccc(cc1)Br 7a_100000185759_100000059175 [0,1,0,0,0,1|2,0,0]=4 5924 B13R1.14 C[C@@H](CO)COc1ccc(cc1)Cl 34a_100000210216_100000059175 [0,1,0,0,0,1|2,0,0]=4 5925 B13R1.14 C[C@@H](CO)COc1ccc(cc1)Cl 7a_100000210216_100000059175 [0,1,0,0,0,1|2,0,0]=4 5926 B13R1.14 C[C@@H](CO)COc1ccc(cc1)F 34a_100000210339_100000059175 [0,1,0,0,0,1|2,0,0]=4 5927 B13R1.14 C[C@@H](CO)COc1ccc(cc1)I 34a_100000212066_100000059175 [0,1,0,0,0,1|2,0,0]=4 5928 B13R1.14 C[C@@H](CO)COc1ccc(cc1)I 7a_100000212066_100000059175 [0,1,0,0,0,1|2,0,0]=4 5929 B13R1.14 C[C@@H](CO)COc1ccc(cc1)N 34a_100000185829_100000059175 [0,1,0,0,0,1|2,0,0]=4 5930 B13R1.14 C[C@@H](CO)CSc1ccc(cc1)Br 62a_100000059175_100000752885 [0,1,0,0,0,1|2,0,0]=4 5931 B13R1.14 C[C@@H](CO)CSc1ccc(cc1)Br 62a_100000752885_100000059175 [0,1,0,0,0,1|2,0,0]=4 5932 B13R1.14 C[C@@H](CO)CSc1ccc(cc1)Cl 62a_100000059175_100000755918 [0,1,0,0,0,1|2,0,0]=4 5933 B13R1.14 C[C@@H](CO)CSc1ccc(cc1)Cl 62a_100000755918_100000059175 [0,1,0,0,0,1|2,0,0]=4 5934 B13R1.14 C[C@@H](CO)CSc1ccc(cc1)F 62a_100000059175_100000211213 [0,1,0,0,0,1|2,0,0]=4 5935 B13R1.14 C[C@@H](CO)CSc1ccc(cc1)F 62a_100000211213_100000059175 [0,1,0,0,0,1|2,0,0]=4 5936 B13R1.14 C[C@@H](CO)CSc1ccc(cc1)N 62a_100000059175_100000185761 [0,1,0,0,0,1|2,0,0]=4 5937 B13R1.14 C[C@@H](CO)CSc1ccc(cc1)N 62a_100000185761_100000059175 [0,1,0,0,0,1|2,0,0]=4 5938 B13R1.14 C[C@@H](CO)CSc1ccc(cc1)O 62a_100000059175_100000185759 [0,1,0,0,0,1|2,0,0]=4 5939 B13R1.14 C[C@H](CF)NCc1ccc(cc1)Br 207a_100102880703_100000186029 [0,1,0,0,0,1|2,0,0]=4 5940 B13R1.14 C[C@H](CF)NCc1ccc(cc1)Br 270004a_100102880703_100000186029 [0,1,0,0,0,1|2,0,0]=4 5941 B13R1.14 C[C@H](CF)NCc1ccc(cc1)Cl 207a_100102880703_100000189385 [0,1,0,0,0,1|2,0,0]=4 5942 B13R1.14 C[C@H](CF)NCc1ccc(cc1)Cl 270004a_100102880703_100000189385 [0,1,0,0,0,1|2,0,0]=4 5943 B13R1.14 C[C@H](CF)NCc1ccc(cc1)F 207a_100102880703_100000210084 [0,1,0,0,0,1|2,0,0]=4 5944 B13R1.14 C[C@H](CF)NCc1ccc(cc1)F 270004a_100102880703_100000210084 [0,1,0,0,0,1|2,0,0]=4 5945 B13R1.14 C[C@H](CF)NCc1ccc(cc1)I 207a_100102880703_100000188517 [0,1,0,0,0,1|2,0,0]=4 5946 B13R1.14 C[C@H](CO)NCc1ccc(cc1)Br 207a_100000737577_100000186029 [0,1,0,0,0,1|2,0,0]=4 5947 B13R1.14 C[C@H](CO)NCc1ccc(cc1)Br 2230a_100000737577_100011217064 [0,1,0,0,0,1|2,0,0]=4 5948 B13R1.14 C[C@H](CO)NCc1ccc(cc1)Br 270004a_100000737577_100000186029 [0,1,0,0,0,1|2,0,0]=4 5949 B13R1.14 C[C@H](CO)NCc1ccc(cc1)Cl 207a_100000737577_100000189385 [0,1,0,0,0,1|2,0,0]=4 5950 B13R1.14 C[C@H](CO)NCc1ccc(cc1)Cl 2230a_100000737577_100000694040 [0,1,0,0,0,1|2,0,0]=4 5951 B13R1.14 C[C@H](CO)NCc1ccc(cc1)Cl 270004a_100000737577_100000189385 [0,1,0,0,0,1|2,0,0]=4 5952 B13R1.14 C[C@H](CO)NCc1ccc(cc1)F 207a_100000737577_100000210084 [0,1,0,0,0,1|2,0,0]=4 5953 B13R1.14 C[C@H](CO)NCc1ccc(cc1)F 2230a_100000737577_100000198546 [0,1,0,0,0,1|2,0,0]=4 5954 B13R1.14 C[C@H](CO)NCc1ccc(cc1)F 270004a_100000737577_100000210084 [0,1,0,0,0,1|2,0,0]=4 5955 B13R1.14 C[C@H](CO)NCc1ccc(cc1)I 207a_100000737577_100000188517 [0,1,0,0,0,1|2,0,0]=4 5956 B13R1.14 C[C@H](CO)NCc1ccc(cc1)I 2230a_100000737577_100000189116 [0,1,0,0,0,1|2,0,0]=4 5957 B13R1.14 C[C@H](CO)SCc1ccc(cc1)Br 62a_100000189115_100016084084 [0,1,0,0,0,1|2,0,0]=4 5958 B13R1.14 C[C@H](CO)SCc1ccc(cc1)Br 62a_100016084084_100000189115 [0,1,0,0,0,1|2,0,0]=4 5959 B13R1.14 C[C@H](CO)SCc1ccc(cc1)Cl 62a_100000187161_100016084084 [0,1,0,0,0,1|2,0,0]=4 5960 B13R1.14 C[C@H](CO)SCc1ccc(cc1)Cl 62a_100016084084_100000187161 [0,1,0,0,0,1|2,0,0]=4 5961 B13R1.14 C[C@H](CO)SCc1ccc(cc1)F 62a_100000198546_100016084084 [0,1,0,0,0,1|2,0,0]=4 5962 B13R1.14 C[C@H](CO)SCc1ccc(cc1)F 62a_100016084084_100000187164 [0,1,0,0,0,1|2,0,0]=4 5963 B13R1.14 C[C@H](CO)SCc1ccc(cc1)I 62a_100000189116_100016084084 [0,1,0,0,0,1|2,0,0]=4 5964 B13R1.14 C[C@H](CO)SCc1ccc(cc1)I 62a_100016084084_100000189116 [0,1,0,0,0,1|2,0,0]=4 5965 B13R1.14 Cc1ccc(cc1)CNC(C)C#N 2230a_100000174908_100000184139 [0,1,0,0,0,1|2,0,0]=4 5966 B13R1.14 Cc1ccc(cc1)CNC(C)C#N 2230a_100000737613_100000210814 [0,1,0,0,0,1|2,0,0]=4 5967 B13R1.14 Cc1ccc(cc1)CNC(C)CO 2230a_100000174908_100012180447 [0,1,0,0,0,1|2,0,0]=4 5968 B13R1.14 Cc1ccc(cc1)CNC(C)CO 34a_100000174908_100012180447 [0,1,0,0,0,1|2,0,0]=4 5969 B13R1.14 Cc1ccc(cc1)CN[C@H](C)CF 207a_100102880703_100000211033 [0,1,0,0,0,1|2,0,0]=4 5970 B13R1.14 Cc1ccc(cc1)CN[C@H](C)CF 270004a_100102880703_100000211033 [0,1,0,0,0,1|2,0,0]=4 5971 B13R1.14 Cc1ccc(cc1)CN[C@H](C)CO 207a_100000737577_100000211033 [0,1,0,0,0,1|2,0,0]=4 5972 B13R1.14 Cc1ccc(cc1)CN[C@H](C)CO 2230a_100000737577_100000210814 [0,1,0,0,0,1|2,0,0]=4 5973 B13R1.14 Cc1ccc(cc1)CN[C@H](C)CO 270004a_100000737577_100000211033 [0,1,0,0,0,1|2,0,0]=4 5974 B13R1.14 Cc1ccc(cc1)COC(C)C#N 34a_100011218135_100000210814 [0,1,0,0,0,1|2,0,0]=4 5975 B13R1.14 Cc1ccc(cc1)COC(C)C#N 7a_100011215236_100000703298 [0,1,0,0,0,1|2,0,0]=4 5976 B13R1.14 Cc1ccc(cc1)COC(C)CF 34a_100016041109_100000210814 [0,1,0,0,0,1|2,0,0]=4 5977 B13R1.14 Cc1ccc(cc1)COC(C)CF 7a_100016041109_100000210814 [0,1,0,0,0,1|2,0,0]=4 5978 B13R1.14 Cc1ccc(cc1)COC(C)CN 34a_100000210904_100000210814 [0,1,0,0,0,1|2,0,0]=4 5979 B13R1.14 Cc1ccc(cc1)COC(C)CO 34a_100011215236_100012180447 [0,1,0,0,0,1|2,0,0]=4 5980 B13R1.14 Cc1ccc(cc1)COC(C)CO 7a_100011215236_100012180447 [0,1,0,0,0,1|2,0,0]=4 5981 B13R1.14 Cc1ccc(cc1)CSC(C)C#N 62a_100000210814_100000703298 [0,1,0,0,0,1|2,0,0]=4 5982 B13R1.14 Cc1ccc(cc1)CSC(C)C#N 62a_100000703298_100000210814 [0,1,0,0,0,1|2,0,0]=4 5983 B13R1.14 Cc1ccc(cc1)CSC(C)CO 62a_100012180447_100000210814 [0,1,0,0,0,1|2,0,0]=4 5984 B13R1.14 Cc1ccc(cc1)CS[C@H](C)CO 62a_100000210814_100016084084 [0,1,0,0,0,1|2,0,0]=4 5985 B13R1.14 Cc1ccc(cc1)CS[C@H](C)CO 62a_100016084084_100000210814 [0,1,0,0,0,1|2,0,0]=4 5986 B13R1.14 Cc1ccc(cc1)NC[C@@H](C)CO 34a_100000124888_100000059175 [0,1,0,0,0,1|2,0,0]=4 5987 B13R1.14 Cc1ccc(cc1)OCC(C)N[13CH3] 2230a_100000743913_200025704644 [0,1,0,0,0,1|0,0,0]=2 5988 B13R1.14 Cc1ccc(cc1)OCC(C)N[13CH3] 34a_100000743913_200025704644 [0,1,0,0,0,1|0,0,0]=2 5989 B13R1.14 Cc1ccc(cc1)OCC(C)O[13CH3] 34a_100011217472_200025704644 [0,1,0,0,0,1|1,0,0]=3 5990 B13R1.14 Cc1ccc(cc1)OCC(C)O[13CH3] 7a_100011217472_200025704644 [0,1,0,0,0,1|1,0,0]=3 5991 B13R1.14 Cc1ccc(cc1)OC[C@@H](C)CO 34a_100000210336_100000059175 [0,1,0,0,0,1|2,0,0]=4 5992 B13R1.14 Cc1ccc(cc1)OC[C@@H](C)CO 7a_100000210336_100000059175 [0,1,0,0,0,1|2,0,0]=4 5993 B13R1.14 Cc1ccc(cc1)SC[C@@H](C)CO 62a_100000059175_100000186775 [0,1,0,0,0,1|2,0,0]=4 5994 B13R1.14 Cc1ccc(cc1)SC[C@@H](C)CO 62a_100000186775_100000059175 [0,1,0,0,0,1|2,0,0]=4 5995 B13R1.15 C#CC(C)NCc1cccc(c1)Br 2230a_100000707721_100000698116 [0,1,0,0,0,1|1,0,1]=4 5996 B13R1.15 C#CC(C)NCc1cccc(c1)Br 270004a_100000707721_100000210085 [0,1,0,0,0,1|1,0,1]=4 5997 B13R1.15 C#CC(C)NCc1cccc(c1)Br 34a_100000174977_200000035995 [0,1,0,0,0,1|1,0,1]=4 5998 B13R1.15 C#CC(C)NCc1cccc(c1)Br 34a_100000707721_100000698116 [0,1,0,0,0,1|1,0,1]=4 5999 B13R1.15 C#CC(C)NCc1cccc(c1)C 2230a_100000707721_100000211840 [0,1,0,0,0,1|1,0,1]=4 6000 B13R1.15 C#CC(C)NCc1cccc(c1)C 270004a_100000707721_100000211157 [0,1,0,0,0,1|1,0,1]=4 6001 B13R1.15 C#CC(C)NCc1cccc(c1)C 34a_100000185548_200000035995 [0,1,0,0,0,1|1,0,1]=4 6002 B13R1.15 C#CC(C)NCc1cccc(c1)C 34a_100000707721_100000211840 [0,1,0,0,0,1|1,0,1]=4 6003 B13R1.15 C#CC(C)NCc1cccc(c1)Cl 2230a_100000707721_100000181238 [0,1,0,0,0,1|1,0,1]=4 6004 B13R1.15 C#CC(C)NCc1cccc(c1)Cl 270004a_100000707721_100000210801 [0,1,0,0,0,1|1,0,1]=4 6005 B13R1.15 C#CC(C)NCc1cccc(c1)Cl 34a_100000174878_200000035995 [0,1,0,0,0,1|1,0,1]=4 6006 B13R1.15 C#CC(C)NCc1cccc(c1)Cl 34a_100000707721_100000187163 [0,1,0,0,0,1|1,0,1]=4 6007 B13R1.15 C#CC(C)NCc1cccc(c1)F 2230a_100000707721_100000230114 [0,1,0,0,0,1|1,0,1]=4 6008 B13R1.15 C#CC(C)NCc1cccc(c1)F 270004a_100000707721_100000210812 [0,1,0,0,0,1|1,0,1]=4 6009 B13R1.15 C#CC(C)NCc1cccc(c1)F 34a_100000174948_200000035995 [0,1,0,0,0,1|1,0,1]=4 6010 B13R1.15 C#CC(C)NCc1cccc(c1)F 34a_100000707721_100000187166 [0,1,0,0,0,1|1,0,1]=4 6011 B13R1.15 C#CC(C)NCc1cccc(c1)I 2230a_100000707721_100011218688 [0,1,0,0,0,1|1,0,1]=4 6012 B13R1.15 C#CC(C)NCc1cccc(c1)I 270004a_100000707721_100000014684 [0,1,0,0,0,1|1,0,1]=4 6013 B13R1.15 C#CC(C)NCc1cccc(c1)I 34a_100000106179_200000035995 [0,1,0,0,0,1|1,0,1]=4 6014 B13R1.15 C#CC(C)NCc1cccc(c1)I 34a_100000707721_100011218688 [0,1,0,0,0,1|1,0,1]=4 6015 B13R1.15 C#CC(C)NCc1cccc(c1)O 2230a_100000707721_100011660834 [0,1,0,0,0,1|1,0,1]=4 6016 B13R1.15 C#CC(C)NCc1cccc(c1)O 270004a_100000707721_100000188321 [0,1,0,0,0,1|1,0,1]=4 6017 B13R1.15 C#CC(C)NCc1cccc(c1)O 34a_100000707721_100011660834 [0,1,0,0,0,1|1,0,1]=4 6018 B13R1.15 C#CC(C)NCc1cccc(c1)O 34a_100000743036_200000035995 [0,1,0,0,0,1|1,0,1]=4 6019 B13R1.15 C#CC(C)OCc1cccc(c1)Br 34a_100000687537_200000035995 [0,1,0,0,0,1|1,0,1]=4 6020 B13R1.15 C#CC(C)OCc1cccc(c1)C 34a_100011217746_200000035995 [0,1,0,0,0,1|1,0,1]=4 6021 B13R1.15 C#CC(C)OCc1cccc(c1)Cl 34a_100000241301_200000035995 [0,1,0,0,0,1|1,0,1]=4 6022 B13R1.15 C#CC(C)OCc1cccc(c1)F 34a_100000210976_200000035995 [0,1,0,0,0,1|1,0,1]=4 6023 B13R1.15 C#CC(C)OCc1cccc(c1)I 34a_100011215336_200000035995 [0,1,0,0,0,1|1,0,1]=4 6024 B13R1.15 C#CC(C)OCc1cccc(c1)N 34a_100000211919_200000035995 [0,1,0,0,0,1|1,0,1]=4 6025 B13R1.15 C#CC(C)SCc1cccc(c1)Br 62a_200000035995_100000211773 [0,1,0,0,0,1|1,0,1]=4 6026 B13R1.15 C#CC(C)SCc1cccc(c1)C 62a_200000035995_100000211840 [0,1,0,0,0,1|1,0,1]=4 6027 B13R1.15 C#CC(C)SCc1cccc(c1)Cl 62a_200000035995_100000187163 [0,1,0,0,0,1|1,0,1]=4 6028 B13R1.15 C#CC(C)SCc1cccc(c1)F 62a_200000035995_100000230114 [0,1,0,0,0,1|1,0,1]=4 6029 B13R1.15 C#CC(C)SCc1cccc(c1)I 62a_200000035995_100011218688 [0,1,0,0,0,1|1,0,1]=4 6030 B13R1.15 C#CC(C)SCc1cccc(c1)O 62a_200000035995_100011660834 [0,1,0,0,0,1|1,0,1]=4 6031 B13R1.15 C#C[C@@H](C)OCc1cccc(c1)Br 34a_100009815206_100000698116 [0,1,0,0,0,1|1,0,1]=4 6032 B13R1.15 C#C[C@@H](C)OCc1cccc(c1)Br 7a_100009815206_100000211773 [0,1,0,0,0,1|1,0,1]=4 6033 B13R1.15 C#C[C@@H](C)OCc1cccc(c1)C 34a_100009815206_100000211840 [0,1,0,0,0,1|1,0,1]=4 6034 B13R1.15 C#C[C@@H](C)OCc1cccc(c1)C 7a_100009815206_100000211840 [0,1,0,0,0,1|1,0,1]=4 6035 B13R1.15 C#C[C@@H](C)OCc1cccc(c1)Cl 34a_100009815206_100000187163 [0,1,0,0,0,1|1,0,1]=4 6036 B13R1.15 C#C[C@@H](C)OCc1cccc(c1)Cl 7a_100009815206_100000187163 [0,1,0,0,0,1|1,0,1]=4 6037 B13R1.15 C#C[C@@H](C)OCc1cccc(c1)F 34a_100009815206_100000187166 [0,1,0,0,0,1|1,0,1]=4 6038 B13R1.15 C#C[C@@H](C)OCc1cccc(c1)F 7a_100009815206_100000230114 [0,1,0,0,0,1|1,0,1]=4 6039 B13R1.15 C#C[C@@H](C)OCc1cccc(c1)I 34a_100009815206_100011218688 [0,1,0,0,0,1|1,0,1]=4 6040 B13R1.15 C#C[C@@H](C)OCc1cccc(c1)I 7a_100009815206_100011218688 [0,1,0,0,0,1|1,0,1]=4 6041 B13R1.15 C#C[C@@H](C)OCc1cccc(c1)O 34a_100009815206_100011660834 [0,1,0,0,0,1|1,0,1]=4 6042 B13R1.15 C#C[C@@H](C)OCc1cccc(c1)O 7a_100009815206_100000084143 [0,1,0,0,0,1|1,0,1]=4 6043 B13R1.15 C=CC(C)OCc1cccc(c1)Br 34a_100000695699_100000698116 [0,1,0,0,0,1|1,0,1]=4 6044 B13R1.15 C=CC(C)OCc1cccc(c1)C 34a_100000695699_100000211840 [0,1,0,0,0,1|1,0,1]=4 6045 B13R1.15 C=CC(C)OCc1cccc(c1)Cl 34a_100000695699_100000187163 [0,1,0,0,0,1|1,0,1]=4 6046 B13R1.15 C=CC(C)OCc1cccc(c1)F 34a_100000695699_100000187166 [0,1,0,0,0,1|1,0,1]=4 6047 B13R1.15 C=CC(C)OCc1cccc(c1)I 34a_100000695699_100011218688 [0,1,0,0,0,1|1,0,1]=4 6048 B13R1.15 C=CC(C)OCc1cccc(c1)O 34a_100000695699_100011660834 [0,1,0,0,0,1|1,0,1]=4 6049 B13R1.15 C=CC(C)SCc1cccc(c1)Br 62a_100011215867_100000211773 [0,1,0,0,0,1|1,0,1]=4 6050 B13R1.15 C=CC(C)SCc1cccc(c1)C 62a_100011215867_100000211840 [0,1,0,0,0,1|1,0,1]=4 6051 B13R1.15 C=CC(C)SCc1cccc(c1)Cl 62a_100011215867_100000187163 [0,1,0,0,0,1|1,0,1]=4 6052 B13R1.15 C=CC(C)SCc1cccc(c1)F 62a_100011215867_100000230114 [0,1,0,0,0,1|1,0,1]=4 6053 B13R1.15 C=CC(C)SCc1cccc(c1)I 62a_100011215867_100011218688 [0,1,0,0,0,1|1,0,1]=4 6054 B13R1.15 C=CC(C)SCc1cccc(c1)O 62a_100011215867_100011660834 [0,1,0,0,0,1|1,0,1]=4 6055 B13R1.15 CC(C#N)NCc1cccc(c1)Br 2230a_100000174977_100000184139 [0,1,0,0,0,1|2,0,0]=4 6056 B13R1.15 CC(C#N)NCc1cccc(c1)Br 2230a_100000737613_100000698116 [0,1,0,0,0,1|2,0,0]=4 6057 B13R1.15 CC(C#N)NCc1cccc(c1)Cl 2230a_100000174878_100000184139 [0,1,0,0,0,1|2,0,0]=4 6058 B13R1.15 CC(C#N)NCc1cccc(c1)Cl 2230a_100000737613_100000181238 [0,1,0,0,0,1|2,0,0]=4 6059 B13R1.15 CC(C#N)NCc1cccc(c1)F 2230a_100000174948_100000184139 [0,1,0,0,0,1|2,0,0]=4 6060 B13R1.15 CC(C#N)NCc1cccc(c1)F 2230a_100000737613_100000230114 [0,1,0,0,0,1|2,0,0]=4 6061 B13R1.15 CC(C#N)NCc1cccc(c1)I 2230a_100000106179_100000184139 [0,1,0,0,0,1|2,0,0]=4 6062 B13R1.15 CC(C#N)NCc1cccc(c1)I 2230a_100000737613_100011218688 [0,1,0,0,0,1|2,0,0]=4 6063 B13R1.15 CC(C#N)NCc1cccc(c1)O 2230a_100000737613_100011660834 [0,1,0,0,0,1|2,0,0]=4 6064 B13R1.15 CC(C#N)NCc1cccc(c1)O 2230a_100000743036_100000184139 [0,1,0,0,0,1|2,0,0]=4 6065 B13R1.15 CC(C#N)OCc1cccc(c1)Br 34a_100011218135_100000698116 [0,1,0,0,0,1|2,0,0]=4 6066 B13R1.15 CC(C#N)OCc1cccc(c1)Br 7a_100000687537_100000703298 [0,1,0,0,0,1|2,0,0]=4 6067 B13R1.15 CC(C#N)OCc1cccc(c1)Cl 34a_100011218135_100000187163 [0,1,0,0,0,1|2,0,0]=4 6068 B13R1.15 CC(C#N)OCc1cccc(c1)Cl 7a_100000241301_100000703298 [0,1,0,0,0,1|2,0,0]=4 6069 B13R1.15 CC(C#N)OCc1cccc(c1)F 34a_100011218135_100000187166 [0,1,0,0,0,1|2,0,0]=4 6070 B13R1.15 CC(C#N)OCc1cccc(c1)F 7a_100000210976_100000703298 [0,1,0,0,0,1|2,0,0]=4 6071 B13R1.15 CC(C#N)OCc1cccc(c1)I 34a_100011218135_100011218688 [0,1,0,0,0,1|2,0,0]=4 6072 B13R1.15 CC(C#N)OCc1cccc(c1)I 7a_100011215336_100000703298 [0,1,0,0,0,1|2,0,0]=4 6073 B13R1.15 CC(C#N)OCc1cccc(c1)O 34a_100011218135_100011660834 [0,1,0,0,0,1|2,0,0]=4 6074 B13R1.15 CC(C#N)SCc1cccc(c1)Br 62a_100000211773_100000703298 [0,1,0,0,0,1|2,0,0]=4 6075 B13R1.15 CC(C#N)SCc1cccc(c1)Br 62a_100000703298_100000211773 [0,1,0,0,0,1|2,0,0]=4 6076 B13R1.15 CC(C#N)SCc1cccc(c1)Cl 62a_100000187163_100000703298 [0,1,0,0,0,1|2,0,0]=4 6077 B13R1.15 CC(C#N)SCc1cccc(c1)Cl 62a_100000703298_100000187163 [0,1,0,0,0,1|2,0,0]=4 6078 B13R1.15 CC(C#N)SCc1cccc(c1)F 62a_100000230114_100000703298 [0,1,0,0,0,1|2,0,0]=4 6079 B13R1.15 CC(C#N)SCc1cccc(c1)F 62a_100000703298_100000230114 [0,1,0,0,0,1|2,0,0]=4 6080 B13R1.15 CC(C#N)SCc1cccc(c1)I 62a_100000703298_100011218688 [0,1,0,0,0,1|2,0,0]=4 6081 B13R1.15 CC(C#N)SCc1cccc(c1)I 62a_100011218688_100000703298 [0,1,0,0,0,1|2,0,0]=4 6082 B13R1.15 CC(C#N)SCc1cccc(c1)O 62a_100000703298_100011660834 [0,1,0,0,0,1|2,0,0]=4 6083 B13R1.15 CC(C#N)SCc1cccc(c1)O 62a_100011660834_100000703298 [0,1,0,0,0,1|2,0,0]=4 6084 B13R1.15 CC(CF)OCc1cccc(c1)Br 34a_100016041109_100000698116 [0,1,0,0,0,1|2,0,0]=4 6085 B13R1.15 CC(CF)OCc1cccc(c1)Br 7a_100016041109_100000211773 [0,1,0,0,0,1|2,0,0]=4 6086 B13R1.15 CC(CF)OCc1cccc(c1)Cl 34a_100016041109_100000187163 [0,1,0,0,0,1|2,0,0]=4 6087 B13R1.15 CC(CF)OCc1cccc(c1)Cl 7a_100016041109_100000187163 [0,1,0,0,0,1|2,0,0]=4 6088 B13R1.15 CC(CF)OCc1cccc(c1)F 34a_100016041109_100000187166 [0,1,0,0,0,1|2,0,0]=4 6089 B13R1.15 CC(CF)OCc1cccc(c1)F 7a_100016041109_100000230114 [0,1,0,0,0,1|2,0,0]=4 6090 B13R1.15 CC(CF)OCc1cccc(c1)I 34a_100016041109_100011218688 [0,1,0,0,0,1|2,0,0]=4 6091 B13R1.15 CC(CF)OCc1cccc(c1)I 7a_100016041109_100011218688 [0,1,0,0,0,1|2,0,0]=4 6092 B13R1.15 CC(CF)OCc1cccc(c1)O 34a_100016041109_100011660834 [0,1,0,0,0,1|2,0,0]=4 6093 B13R1.15 CC(CF)OCc1cccc(c1)O 7a_100016041109_100000084143 [0,1,0,0,0,1|2,0,0]=4 6094 B13R1.15 CC(CN)OCc1cccc(c1)Br 34a_100000210904_100000698116 [0,1,0,0,0,1|2,0,0]=4 6095 B13R1.15 CC(CN)OCc1cccc(c1)Cl 34a_100000210904_100000187163 [0,1,0,0,0,1|2,0,0]=4 6096 B13R1.15 CC(CN)OCc1cccc(c1)F 34a_100000210904_100000187166 [0,1,0,0,0,1|2,0,0]=4 6097 B13R1.15 CC(CN)OCc1cccc(c1)I 34a_100000210904_100011218688 [0,1,0,0,0,1|2,0,0]=4 6098 B13R1.15 CC(CN)OCc1cccc(c1)O 34a_100000210904_100011660834 [0,1,0,0,0,1|2,0,0]=4 6099 B13R1.15 CC(CO)NCc1cccc(c1)Br 2230a_100000174977_100012180447 [0,1,0,0,0,1|2,0,0]=4 6100 B13R1.15 CC(CO)NCc1cccc(c1)Br 34a_100000174977_100012180447 [0,1,0,0,0,1|2,0,0]=4 6101 B13R1.15 CC(CO)NCc1cccc(c1)Cl 2230a_100000174878_100012180447 [0,1,0,0,0,1|2,0,0]=4 6102 B13R1.15 CC(CO)NCc1cccc(c1)Cl 34a_100000174878_100012180447 [0,1,0,0,0,1|2,0,0]=4 6103 B13R1.15 CC(CO)NCc1cccc(c1)F 2230a_100000174948_100012180447 [0,1,0,0,0,1|2,0,0]=4 6104 B13R1.15 CC(CO)NCc1cccc(c1)F 34a_100000174948_100012180447 [0,1,0,0,0,1|2,0,0]=4 6105 B13R1.15 CC(CO)NCc1cccc(c1)I 2230a_100000106179_100012180447 [0,1,0,0,0,1|2,0,0]=4 6106 B13R1.15 CC(CO)NCc1cccc(c1)I 34a_100000106179_100012180447 [0,1,0,0,0,1|2,0,0]=4 6107 B13R1.15 CC(CO)NCc1cccc(c1)O 2230a_100000743036_100012180447 [0,1,0,0,0,1|2,0,0]=4 6108 B13R1.15 CC(CO)NCc1cccc(c1)O 34a_100000743036_100012180447 [0,1,0,0,0,1|2,0,0]=4 6109 B13R1.15 CC(CO)OCc1cccc(c1)Br 34a_100000687537_100012180447 [0,1,0,0,0,1|2,0,0]=4 6110 B13R1.15 CC(CO)OCc1cccc(c1)Br 7a_100000687537_100012180447 [0,1,0,0,0,1|2,0,0]=4 6111 B13R1.15 CC(CO)OCc1cccc(c1)Cl 34a_100000241301_100012180447 [0,1,0,0,0,1|2,0,0]=4 6112 B13R1.15 CC(CO)OCc1cccc(c1)Cl 7a_100000241301_100012180447 [0,1,0,0,0,1|2,0,0]=4 6113 B13R1.15 CC(CO)OCc1cccc(c1)F 34a_100000210976_100012180447 [0,1,0,0,0,1|2,0,0]=4 6114 B13R1.15 CC(CO)OCc1cccc(c1)F 7a_100000210976_100012180447 [0,1,0,0,0,1|2,0,0]=4 6115 B13R1.15 CC(CO)OCc1cccc(c1)I 34a_100011215336_100012180447 [0,1,0,0,0,1|2,0,0]=4 6116 B13R1.15 CC(CO)OCc1cccc(c1)I 7a_100011215336_100012180447 [0,1,0,0,0,1|2,0,0]=4 6117 B13R1.15 CC(CO)OCc1cccc(c1)N 34a_100000211919_100012180447 [0,1,0,0,0,1|2,0,0]=4 6118 B13R1.15 CC(CO)SCc1cccc(c1)Br 62a_100012180447_100000211773 [0,1,0,0,0,1|2,0,0]=4 6119 B13R1.15 CC(CO)SCc1cccc(c1)Cl 62a_100012180447_100000187163 [0,1,0,0,0,1|2,0,0]=4 6120 B13R1.15 CC(CO)SCc1cccc(c1)F 62a_100012180447_100000230114 [0,1,0,0,0,1|2,0,0]=4 6121 B13R1.15 CC(CO)SCc1cccc(c1)I 62a_100012180447_100011218688 [0,1,0,0,0,1|2,0,0]=4 6122 B13R1.15 CC(CO)SCc1cccc(c1)O 62a_100012180447_100011660834 [0,1,0,0,0,1|2,0,0]=4 6123 B13R1.15 CCC(C)CNc1cc(ccn1)F 27a_100020588543_100000764206 [0,1,0,0,0,1|2,0,0]=4 6124 B13R1.15 CCC(C)CNc1cc[nH]c(=O)c1 27a_100020588543_100000061649 [0,1,0,0,0,1|2,0,0]=4 6125 B13R1.15 CCC(C)CNc1cccc(c1)Br 34a_100000210019_100000748023 [0,1,0,0,0,1|1,0,0]=3 6126 B13R1.15 CCC(C)CNc1cccc(c1)C 2230a_100000188690_100000748023 [0,1,0,0,0,1|1,0,0]=3 6127 B13R1.15 CCC(C)CNc1cccc(c1)C 34a_100000188690_100000748023 [0,1,0,0,0,1|1,0,0]=3 6128 B13R1.15 CCC(C)CNc1cccc(c1)Cl 34a_100000185859_100000748023 [0,1,0,0,0,1|1,0,0]=3 6129 B13R1.15 CCC(C)CNc1cccc(c1)F 34a_100000210047_100000748023 [0,1,0,0,0,1|1,0,0]=3 6130 B13R1.15 CCC(C)CNc1cccc(c1)I 34a_100000211102_100000748023 [0,1,0,0,0,1|1,0,0]=3 6131 B13R1.15 CCC(C)CNc1cccc(c1)O 34a_100000210217_100000748023 [0,1,0,0,0,1|1,0,0]=3 6132 B13R1.15 CCC(C)CNc1cccc(n1)F 27a_100020588543_100009815982 [0,1,0,0,0,1|2,0,0]=4 6133 B13R1.15 CCC(C)CNc1ccnc(c1)C 27a_100020588543_100000758586 [0,1,0,0,0,1|2,0,0]=4 6134 B13R1.15 CCC(C)CNc1ccnc(c1)F 27a_100020588543_100009816116 [0,1,0,0,0,1|2,0,0]=4 6135 B13R1.15 CCC(C)COc1cc[nH]c(=O)c1 34a_100000032262_100000748023 [0,1,0,0,0,1|2,0,0]=4 6136 B13R1.15 CCC(C)COc1ccc[n+](c1)[O-] 34a_100000039713_100000748023 [0,1,0,0,0,1|2,0,0]=4 6137 B13R1.15 CCC(C)COc1ccc[n+](c1)[O-] 7a_100000039713_100000748023 [0,1,0,0,0,1|2,0,0]=4 6138 B13R1.15 CCC(C)COc1cccc(=O)[nH]1 34a_100000033347_100000748023 [0,1,0,0,0,1|2,0,0]=4 6139 B13R1.15 CCC(C)COc1cccc(c1)Br 34a_100000210342_100000748023 [0,1,0,0,0,1|1,0,0]=3 6140 B13R1.15 CCC(C)COc1cccc(c1)Br 7a_100000210342_100000748023 [0,1,0,0,0,1|1,0,0]=3 6141 B13R1.15 CCC(C)COc1cccc(c1)C 34a_100000210337_100000748023 [0,1,0,0,0,1|1,0,0]=3 6142 B13R1.15 CCC(C)COc1cccc(c1)C 7a_100000210337_100000748023 [0,1,0,0,0,1|1,0,0]=3 6143 B13R1.15 CCC(C)COc1cccc(c1)Cl 34a_100000210295_100000748023 [0,1,0,0,0,1|1,0,0]=3 6144 B13R1.15 CCC(C)COc1cccc(c1)Cl 7a_100000210295_100000748023 [0,1,0,0,0,1|1,0,0]=3 6145 B13R1.15 CCC(C)COc1cccc(c1)F 34a_100000210426_100000748023 [0,1,0,0,0,1|1,0,0]=3 6146 B13R1.15 CCC(C)COc1cccc(c1)F 7a_100000210426_100000748023 [0,1,0,0,0,1|1,0,0]=3 6147 B13R1.15 CCC(C)COc1cccc(c1)I 34a_100000211634_100000748023 [0,1,0,0,0,1|1,0,0]=3 6148 B13R1.15 CCC(C)COc1cccc(c1)I 7a_100000211634_100000748023 [0,1,0,0,0,1|1,0,0]=3 6149 B13R1.15 CCC(C)COc1cccc(c1)N 34a_100000210217_100000748023 [0,1,0,0,0,1|1,0,0]=3 6150 B13R1.15 CCC(C)COc1cccc(n1)F 34a_100011432558_100000748023 [0,1,0,0,0,1|2,0,0]=4 6151 B13R1.15 CCC(C)COc1ccnc(c1)C 34a_100000688365_100000748023 [0,1,0,0,0,1|2,0,0]=4 6152 B13R1.15 CCC(C)COc1ccnc(c1)Cl 34a_100000762945_100000748023 [0,1,0,0,0,1|2,0,0]=4 6153 B13R1.15 CCC(C)COc1ccnc(c1)F 34a_100000732698_100000748023 [0,1,0,0,0,1|2,0,0]=4 6154 B13R1.15 CCC(C)COc1ccnc(c1)N 34a_100011834064_100000748023 [0,1,0,0,0,1|2,0,0]=4 6155 B13R1.15 CCC(C)COc1cncc(c1)Br 34a_100000754920_100000748023 [0,1,0,0,0,1|2,0,0]=4 6156 B13R1.15 CCC(C)COc1cncc(c1)Br 7a_100000754920_100000748023 [0,1,0,0,0,1|2,0,0]=4 6157 B13R1.15 CCC(C)COc1cncc(c1)C 34a_100011830280_100000748023 [0,1,0,0,0,1|2,0,0]=4 6158 B13R1.15 CCC(C)COc1cncc(c1)C 7a_100011830280_100000748023 [0,1,0,0,0,1|2,0,0]=4 6159 B13R1.15 CCC(C)COc1cncc(c1)Cl 7a_100000032511_100000748023 [0,1,0,0,0,1|2,0,0]=4 6160 B13R1.15 CCC(C)COc1cncc(c1)F 34a_100011830296_100000748023 [0,1,0,0,0,1|2,0,0]=4 6161 B13R1.15 CCC(C)COc1cncc(c1)F 7a_100011830296_100000748023 [0,1,0,0,0,1|2,0,0]=4 6162 B13R1.15 CCC(C)COc1cncc(c1)N 34a_100011997051_100000748023 [0,1,0,0,0,1|2,0,0]=4 6163 B13R1.15 CCC(C)CSc1cc(=O)cc[nH]1 62a_100009817434_100000748023 [0,1,0,0,0,1|2,0,0]=4 6164 B13R1.15 CCC(C)CSc1cc(ccn1)C 62a_100000748023_100000750283 [0,1,0,0,0,1|2,0,0]=4 6165 B13R1.15 CCC(C)CSc1cc(ccn1)C 62a_100000750283_100000748023 [0,1,0,0,0,1|2,0,0]=4 6166 B13R1.15 CCC(C)CSc1cc(ccn1)Cl 62a_100000748023_100010167805 [0,1,0,0,0,1|2,0,0]=4 6167 B13R1.15 CCC(C)CSc1cc(ccn1)Cl 62a_100010167805_100000748023 [0,1,0,0,0,1|2,0,0]=4 6168 B13R1.15 CCC(C)CSc1cc(ccn1)F 62a_100000748023_100000764206 [0,1,0,0,0,1|2,0,0]=4 6169 B13R1.15 CCC(C)CSc1cc(ccn1)F 62a_100000764206_100000748023 [0,1,0,0,0,1|2,0,0]=4 6170 B13R1.15 CCC(C)CSc1cc(ccn1)N 62a_100000748023_100009814236 [0,1,0,0,0,1|2,0,0]=4 6171 B13R1.15 CCC(C)CSc1cc(ccn1)N 62a_100009814236_100000748023 [0,1,0,0,0,1|2,0,0]=4 6172 B13R1.15 CCC(C)CSc1cc(ccn1)O 62a_100000748023_100000762945 [0,1,0,0,0,1|2,0,0]=4 6173 B13R1.15 CCC(C)CSc1cc[nH]c(=O)c1 62a_100000748023_100009816521 [0,1,0,0,0,1|2,0,0]=4 6174 B13R1.15 CCC(C)CSc1cc[nH]c(=O)c1 62a_100009816521_100000748023 [0,1,0,0,0,1|2,0,0]=4 6175 B13R1.15 CCC(C)CSc1ccc[n+](c1)C 62a_100000748023_100009996589 [0,1,0,0,0,1|2,0,0]=4 6176 B13R1.15 CCC(C)CSc1ccc[n+](c1)C 62a_100009996589_100000748023 [0,1,0,0,0,1|2,0,0]=4 6177 B13R1.15 CCC(C)CSc1ccc[n+](c1)[O-] 62a_100000748023_100009815978 [0,1,0,0,0,1|2,0,0]=4 6178 B13R1.15 CCC(C)CSc1cccc(=O)[nH]1 62a_100000748023_100000752884 [0,1,0,0,0,1|2,0,0]=4 6179 B13R1.15 CCC(C)CSc1cccc(c1)Br 62a_100000691529_100000748023 [0,1,0,0,0,1|1,0,0]=3 6180 B13R1.15 CCC(C)CSc1cccc(c1)Br 62a_100000748023_100000691529 [0,1,0,0,0,1|1,0,0]=3 6181 B13R1.15 CCC(C)CSc1cccc(c1)C 62a_100000748023_100011215228 [0,1,0,0,0,1|1,0,0]=3 6182 B13R1.15 CCC(C)CSc1cccc(c1)C 62a_100011215228_100000748023 [0,1,0,0,0,1|1,0,0]=3 6183 B13R1.15 CCC(C)CSc1cccc(c1)Cl 62a_100000699651_100000748023 [0,1,0,0,0,1|1,0,0]=3 6184 B13R1.15 CCC(C)CSc1cccc(c1)Cl 62a_100000748023_100000699651 [0,1,0,0,0,1|1,0,0]=3 6185 B13R1.15 CCC(C)CSc1cccc(c1)F 62a_100000685547_100000748023 [0,1,0,0,0,1|1,0,0]=3 6186 B13R1.15 CCC(C)CSc1cccc(c1)F 62a_100000748023_100000685547 [0,1,0,0,0,1|1,0,0]=3 6187 B13R1.15 CCC(C)CSc1cccc(c1)N 62a_100000210019_100000748023 [0,1,0,0,0,1|1,0,0]=3 6188 B13R1.15 CCC(C)CSc1cccc(c1)N 62a_100000748023_100000210019 [0,1,0,0,0,1|1,0,0]=3 6189 B13R1.15 CCC(C)CSc1cccc(c1)O 62a_100000748023_100000211634 [0,1,0,0,0,1|1,0,0]=3 6190 B13R1.15 CCC(C)CSc1cccc(c1)[S] 62a_100000748023_114929384022 [0,1,0,0,0,1|1,0,0]=3 6191 B13R1.15 CCC(C)CSc1cccc(c1)[S] 62a_114929384022_100000748023 [0,1,0,0,0,1|1,0,0]=3 6192 B13R1.15 CCC(C)CSc1cccc(n1)Br 62a_100000684672_100000748023 [0,1,0,0,0,1|2,0,0]=4 6193 B13R1.15 CCC(C)CSc1cccc(n1)Br 62a_100000748023_100000684672 [0,1,0,0,0,1|2,0,0]=4 6194 B13R1.15 CCC(C)CSc1cccc(n1)C 62a_100000742759_100000748023 [0,1,0,0,0,1|2,0,0]=4 6195 B13R1.15 CCC(C)CSc1cccc(n1)C 62a_100000748023_100000742759 [0,1,0,0,0,1|2,0,0]=4 6196 B13R1.15 CCC(C)CSc1cccc(n1)Cl 62a_100000051397_100000748023 [0,1,0,0,0,1|2,0,0]=4 6197 B13R1.15 CCC(C)CSc1cccc(n1)Cl 62a_100000748023_100000051397 [0,1,0,0,0,1|2,0,0]=4 6198 B13R1.15 CCC(C)CSc1cccc(n1)F 62a_100000748023_100009815982 [0,1,0,0,0,1|2,0,0]=4 6199 B13R1.15 CCC(C)CSc1cccc(n1)F 62a_100009815982_100000748023 [0,1,0,0,0,1|2,0,0]=4 6200 B13R1.15 CCC(C)CSc1cccc(n1)N 62a_100000740741_100000748023 [0,1,0,0,0,1|2,0,0]=4 6201 B13R1.15 CCC(C)CSc1cccc(n1)N 62a_100000748023_100000740741 [0,1,0,0,0,1|2,0,0]=4 6202 B13R1.15 CCC(C)CSc1ccnc(c1)Br 62a_100000748023_100009814637 [0,1,0,0,0,1|2,0,0]=4 6203 B13R1.15 CCC(C)CSc1ccnc(c1)Br 62a_100009814637_100000748023 [0,1,0,0,0,1|2,0,0]=4 6204 B13R1.15 CCC(C)CSc1ccnc(c1)C 62a_100000748023_100000758586 [0,1,0,0,0,1|2,0,0]=4 6205 B13R1.15 CCC(C)CSc1ccnc(c1)C 62a_100000758586_100000748023 [0,1,0,0,0,1|2,0,0]=4 6206 B13R1.15 CCC(C)CSc1ccnc(c1)Cl 62a_100000035001_100000748023 [0,1,0,0,0,1|2,0,0]=4 6207 B13R1.15 CCC(C)CSc1ccnc(c1)Cl 62a_100000748023_100000035001 [0,1,0,0,0,1|2,0,0]=4 6208 B13R1.15 CCC(C)CSc1ccnc(c1)F 62a_100000748023_100009816116 [0,1,0,0,0,1|2,0,0]=4 6209 B13R1.15 CCC(C)CSc1ccnc(c1)F 62a_100009816116_100000748023 [0,1,0,0,0,1|2,0,0]=4 6210 B13R1.15 CCC(C)CSc1ccnc(c1)N 62a_100000049665_100000748023 [0,1,0,0,0,1|2,0,0]=4 6211 B13R1.15 CCC(C)CSc1ccnc(c1)N 62a_100000748023_100000049665 [0,1,0,0,0,1|2,0,0]=4 6212 B13R1.15 CCC(C)CSc1cncc(c1)Br 62a_100000728054_100000748023 [0,1,0,0,0,1|2,0,0]=4 6213 B13R1.15 CCC(C)CSc1cncc(c1)Br 62a_100000748023_100000728054 [0,1,0,0,0,1|2,0,0]=4 6214 B13R1.15 CCC(C)CSc1cncc(c1)C 62a_100000748023_100000760492 [0,1,0,0,0,1|2,0,0]=4 6215 B13R1.15 CCC(C)CSc1cncc(c1)C 62a_100000760492_100000748023 [0,1,0,0,0,1|2,0,0]=4 6216 B13R1.15 CCC(C)CSc1cncc(c1)Cl 62a_100000049639_100000748023 [0,1,0,0,0,1|2,0,0]=4 6217 B13R1.15 CCC(C)CSc1cncc(c1)Cl 62a_100000748023_100000049639 [0,1,0,0,0,1|2,0,0]=4 6218 B13R1.15 CCC(C)CSc1cncc(c1)F 62a_100000744099_100000748023 [0,1,0,0,0,1|2,0,0]=4 6219 B13R1.15 CCC(C)CSc1cncc(c1)F 62a_100000748023_100000744099 [0,1,0,0,0,1|2,0,0]=4 6220 B13R1.15 CCC(C)CSc1cncc(c1)N 62a_100000687067_100000748023 [0,1,0,0,0,1|2,0,0]=4 6221 B13R1.15 CCC(C)CSc1cncc(c1)N 62a_100000748023_100000687067 [0,1,0,0,0,1|2,0,0]=4 6222 B13R1.15 CCC(C)CSc1cncc(c1)O 62a_100000748023_100000754920 [0,1,0,0,0,1|2,0,0]=4 6223 B13R1.15 CCC(C)CSc1cncc(c1)O 62a_100000754920_100000748023 [0,1,0,0,0,1|2,0,0]=4 6224 B13R1.15 CCC(C)NCc1cc(ccn1)Br 2230a_100000209981_100010173614 [0,1,0,0,0,1|2,0,0]=4 6225 B13R1.15 CCC(C)NCc1cc(ccn1)Br 270004a_100000209981_100009818557 [0,1,0,0,0,1|2,0,0]=4 6226 B13R1.15 CCC(C)NCc1cc(ccn1)C 207a_100000209981_100011361488 [0,1,0,0,0,1|2,0,0]=4 6227 B13R1.15 CCC(C)NCc1cc(ccn1)C 2230a_100000209981_100000718516 [0,1,0,0,0,1|2,0,0]=4 6228 B13R1.15 CCC(C)NCc1cc(ccn1)C 270004a_100000209981_100011361488 [0,1,0,0,0,1|2,0,0]=4 6229 B13R1.15 CCC(C)NCc1cc(ccn1)Cl 2230a_100000209981_100016988179 [0,1,0,0,0,1|2,0,0]=4 6230 B13R1.15 CCC(C)NCc1cc(ccn1)Cl 270004a_100000209981_100011998288 [0,1,0,0,0,1|2,0,0]=4 6231 B13R1.15 CCC(C)NCc1cccc(=O)[nH]1 207a_100000209981_100011935257 [0,1,0,0,0,1|2,0,0]=4 6232 B13R1.15 CCC(C)NCc1cccc(=O)[nH]1 2230a_100000696482_100000758301 [0,1,0,0,0,1|2,0,0]=4 6233 B13R1.15 CCC(C)NCc1cccc(c1)Br 207a_100000209981_100000210085 [0,1,0,0,0,1|1,0,0]=3 6234 B13R1.15 CCC(C)NCc1cccc(c1)Br 2230a_100000174977_100000758301 [0,1,0,0,0,1|1,0,0]=3 6235 B13R1.15 CCC(C)NCc1cccc(c1)Br 2230a_100000209981_100000698116 [0,1,0,0,0,1|1,0,0]=3 6236 B13R1.15 CCC(C)NCc1cccc(c1)Br 270004a_100000209981_100000210085 [0,1,0,0,0,1|1,0,0]=3 6237 B13R1.15 CCC(C)NCc1cccc(c1)Br 34a_100000174977_100011215416 [0,1,0,0,0,1|1,0,0]=3 6238 B13R1.15 CCC(C)NCc1cccc(c1)C 207a_100000209981_100000211157 [0,1,0,0,0,1|1,0,0]=3 6239 B13R1.15 CCC(C)NCc1cccc(c1)C 2230a_100000185548_100000758301 [0,1,0,0,0,1|1,0,0]=3 6240 B13R1.15 CCC(C)NCc1cccc(c1)C 2230a_100000209981_100000211840 [0,1,0,0,0,1|1,0,0]=3 6241 B13R1.15 CCC(C)NCc1cccc(c1)C 270004a_100000209981_100000211157 [0,1,0,0,0,1|1,0,0]=3 6242 B13R1.15 CCC(C)NCc1cccc(c1)C 34a_100000185548_100011215416 [0,1,0,0,0,1|1,0,0]=3 6243 B13R1.15 CCC(C)NCc1cccc(c1)Cl 207a_100000209981_100000210801 [0,1,0,0,0,1|1,0,0]=3 6244 B13R1.15 CCC(C)NCc1cccc(c1)Cl 2230a_100000174878_100000758301 [0,1,0,0,0,1|1,0,0]=3 6245 B13R1.15 CCC(C)NCc1cccc(c1)Cl 2230a_100000209981_100000181238 [0,1,0,0,0,1|1,0,0]=3 6246 B13R1.15 CCC(C)NCc1cccc(c1)Cl 270004a_100000209981_100000210801 [0,1,0,0,0,1|1,0,0]=3 6247 B13R1.15 CCC(C)NCc1cccc(c1)Cl 34a_100000174878_100011215416 [0,1,0,0,0,1|1,0,0]=3 6248 B13R1.15 CCC(C)NCc1cccc(c1)F 207a_100000209981_100000210812 [0,1,0,0,0,1|1,0,0]=3 6249 B13R1.15 CCC(C)NCc1cccc(c1)F 2230a_100000174948_100000758301 [0,1,0,0,0,1|1,0,0]=3 6250 B13R1.15 CCC(C)NCc1cccc(c1)F 2230a_100000209981_100000230114 [0,1,0,0,0,1|1,0,0]=3 6251 B13R1.15 CCC(C)NCc1cccc(c1)F 270004a_100000209981_100000210812 [0,1,0,0,0,1|1,0,0]=3 6252 B13R1.15 CCC(C)NCc1cccc(c1)F 34a_100000174948_100011215416 [0,1,0,0,0,1|1,0,0]=3 6253 B13R1.15 CCC(C)NCc1cccc(c1)I 207a_100000209981_100000014684 [0,1,0,0,0,1|1,0,0]=3 6254 B13R1.15 CCC(C)NCc1cccc(c1)I 2230a_100000106179_100000758301 [0,1,0,0,0,1|1,0,0]=3 6255 B13R1.15 CCC(C)NCc1cccc(c1)I 2230a_100000209981_100011218688 [0,1,0,0,0,1|1,0,0]=3 6256 B13R1.15 CCC(C)NCc1cccc(c1)I 270004a_100000209981_100000014684 [0,1,0,0,0,1|1,0,0]=3 6257 B13R1.15 CCC(C)NCc1cccc(c1)I 34a_100000106179_100011215416 [0,1,0,0,0,1|1,0,0]=3 6258 B13R1.15 CCC(C)NCc1cccc(c1)O 207a_100000209981_100000188321 [0,1,0,0,0,1|1,0,0]=3 6259 B13R1.15 CCC(C)NCc1cccc(c1)O 2230a_100000209981_100011660834 [0,1,0,0,0,1|1,0,0]=3 6260 B13R1.15 CCC(C)NCc1cccc(c1)O 2230a_100000743036_100000758301 [0,1,0,0,0,1|1,0,0]=3 6261 B13R1.15 CCC(C)NCc1cccc(c1)O 270004a_100000209981_100000188321 [0,1,0,0,0,1|1,0,0]=3 6262 B13R1.15 CCC(C)NCc1cccc(c1)O 271570a_203496583355_100015184642 [0,1,0,0,0,1|1,0,0]=3 6263 B13R1.15 CCC(C)NCc1cccc(c1)O 34a_100000743036_100011215416 [0,1,0,0,0,1|1,0,0]=3 6264 B13R1.15 CCC(C)NCc1cccc(n1)Br 2230a_100000209981_100009889011 [0,1,0,0,0,1|2,0,0]=4 6265 B13R1.15 CCC(C)NCc1cccc(n1)Br 2230a_100016987751_100000758301 [0,1,0,0,0,1|2,0,0]=4 6266 B13R1.15 CCC(C)NCc1cccc(n1)Br 270004a_100000209981_100000688028 [0,1,0,0,0,1|2,0,0]=4 6267 B13R1.15 CCC(C)NCc1cccc(n1)C 207a_100000209981_100011215050 [0,1,0,0,0,1|2,0,0]=4 6268 B13R1.15 CCC(C)NCc1cccc(n1)C 2230a_100000209981_100000757606 [0,1,0,0,0,1|2,0,0]=4 6269 B13R1.15 CCC(C)NCc1cccc(n1)C 270004a_100000209981_100011215050 [0,1,0,0,0,1|2,0,0]=4 6270 B13R1.15 CCC(C)NCc1cccc(n1)C 34a_100000701342_100011215416 [0,1,0,0,0,1|2,0,0]=4 6271 B13R1.15 CCC(C)NCc1cccc(n1)Cl 2230a_100000209981_100000086093 [0,1,0,0,0,1|2,0,0]=4 6272 B13R1.15 CCC(C)NCc1cccc(n1)Cl 2230a_100016990191_100000758301 [0,1,0,0,0,1|2,0,0]=4 6273 B13R1.15 CCC(C)NCc1cccc(n1)Cl 270004a_100000209981_100011361687 [0,1,0,0,0,1|2,0,0]=4 6274 B13R1.15 CCC(C)NCc1cccc(n1)F 2230a_100000209981_100009819644 [0,1,0,0,0,1|2,0,0]=4 6275 B13R1.15 CCC(C)NCc1cccc(n1)F 2230a_100015188798_100000758301 [0,1,0,0,0,1|2,0,0]=4 6276 B13R1.15 CCC(C)NCc1cccc(n1)F 270004a_100000209981_100000050434 [0,1,0,0,0,1|2,0,0]=4 6277 B13R1.15 CCC(C)NCc1cccc(n1)F 34a_100015188798_100011215416 [0,1,0,0,0,1|2,0,0]=4 6278 B13R1.15 CCC(C)NCc1ccnc(c1)Br 2230a_100000209981_100010243470 [0,1,0,0,0,1|2,0,0]=4 6279 B13R1.15 CCC(C)NCc1ccnc(c1)Br 2230a_100025757509_100000758301 [0,1,0,0,0,1|2,0,0]=4 6280 B13R1.15 CCC(C)NCc1ccnc(c1)Br 270004a_100000209981_100009814634 [0,1,0,0,0,1|2,0,0]=4 6281 B13R1.15 CCC(C)NCc1ccnc(c1)Br 34a_100025757509_100011215416 [0,1,0,0,0,1|2,0,0]=4 6282 B13R1.15 CCC(C)NCc1ccnc(c1)C 207a_100000209981_100011361630 [0,1,0,0,0,1|2,0,0]=4 6283 B13R1.15 CCC(C)NCc1ccnc(c1)C 2230a_100000209981_200020672517 [0,1,0,0,0,1|2,0,0]=4 6284 B13R1.15 CCC(C)NCc1ccnc(c1)C 270004a_100000209981_100011361630 [0,1,0,0,0,1|2,0,0]=4 6285 B13R1.15 CCC(C)NCc1ccnc(c1)C 34a_100011934566_100011215416 [0,1,0,0,0,1|2,0,0]=4 6286 B13R1.15 CCC(C)NCc1ccnc(c1)Cl 2230a_100000209981_100000764220 [0,1,0,0,0,1|2,0,0]=4 6287 B13R1.15 CCC(C)NCc1ccnc(c1)Cl 2230a_100015205668_100000758301 [0,1,0,0,0,1|2,0,0]=4 6288 B13R1.15 CCC(C)NCc1ccnc(c1)Cl 270004a_100000209981_100011290808 [0,1,0,0,0,1|2,0,0]=4 6289 B13R1.15 CCC(C)NCc1ccnc(c1)Cl 34a_100015205668_100011215416 [0,1,0,0,0,1|2,0,0]=4 6290 B13R1.15 CCC(C)NCc1ccnc(c1)F 2230a_100015188774_100000758301 [0,1,0,0,0,1|2,0,0]=4 6291 B13R1.15 CCC(C)NCc1ccnc(c1)F 270004a_100000209981_100000068331 [0,1,0,0,0,1|2,0,0]=4 6292 B13R1.15 CCC(C)NCc1ccnc(c1)F 34a_100015188774_100011215416 [0,1,0,0,0,1|2,0,0]=4 6293 B13R1.15 CCC(C)NCc1ccnc(c1)O 207a_100000209981_100000688113 [0,1,0,0,0,1|2,0,0]=4 6294 B13R1.15 CCC(C)NCc1cncc(c1)Br 207a_100000209981_100000687066 [0,1,0,0,0,1|2,0,0]=4 6295 B13R1.15 CCC(C)NCc1cncc(c1)Br 2230a_100000209981_100000738771 [0,1,0,0,0,1|2,0,0]=4 6296 B13R1.15 CCC(C)NCc1cncc(c1)Br 270004a_100000209981_100000687066 [0,1,0,0,0,1|2,0,0]=4 6297 B13R1.15 CCC(C)NCc1cncc(c1)C 207a_100000209981_100011998712 [0,1,0,0,0,1|2,0,0]=4 6298 B13R1.15 CCC(C)NCc1cncc(c1)C 2230a_100000209981_100000716715 [0,1,0,0,0,1|2,0,0]=4 6299 B13R1.15 CCC(C)NCc1cncc(c1)C 2230a_100000692839_100000758301 [0,1,0,0,0,1|2,0,0]=4 6300 B13R1.15 CCC(C)NCc1cncc(c1)C 270004a_100000209981_100011998712 [0,1,0,0,0,1|2,0,0]=4 6301 B13R1.15 CCC(C)NCc1cncc(c1)C 34a_100000692839_100011215416 [0,1,0,0,0,1|2,0,0]=4 6302 B13R1.15 CCC(C)NCc1cncc(c1)Cl 207a_100000209981_100000088910 [0,1,0,0,0,1|2,0,0]=4 6303 B13R1.15 CCC(C)NCc1cncc(c1)Cl 2230a_100000209981_100016992070 [0,1,0,0,0,1|2,0,0]=4 6304 B13R1.15 CCC(C)NCc1cncc(c1)Cl 2230a_200020614424_100000758301 [0,1,0,0,0,1|2,0,0]=4 6305 B13R1.15 CCC(C)NCc1cncc(c1)Cl 270004a_100000209981_100000088910 [0,1,0,0,0,1|2,0,0]=4 6306 B13R1.15 CCC(C)NCc1cncc(c1)F 207a_100000209981_100011361476 [0,1,0,0,0,1|2,0,0]=4 6307 B13R1.15 CCC(C)NCc1cncc(c1)F 2230a_100000209981_100000725299 [0,1,0,0,0,1|2,0,0]=4 6308 B13R1.15 CCC(C)NCc1cncc(c1)F 2230a_100011962886_100000758301 [0,1,0,0,0,1|2,0,0]=4 6309 B13R1.15 CCC(C)NCc1cncc(c1)F 270004a_100000209981_100011361476 [0,1,0,0,0,1|2,0,0]=4 6310 B13R1.15 CCC(C)NCc1cncc(c1)F 34a_100011962886_100011215416 [0,1,0,0,0,1|2,0,0]=4 6311 B13R1.15 CCC(C)NCc1cncc(c1)O 207a_100000209981_100012187055 [0,1,0,0,0,1|2,0,0]=4 6312 B13R1.15 CCC(C)NCc1cncc(c1)O 270004a_100000209981_100012187055 [0,1,0,0,0,1|2,0,0]=4 6313 B13R1.15 CCC(C)OCc1cc(ccn1)Br 7a_100000210228_100010173614 [0,1,0,0,0,1|2,0,0]=4 6314 B13R1.15 CCC(C)OCc1cc(ccn1)C 34a_100011998357_100011215416 [0,1,0,0,0,1|2,0,0]=4 6315 B13R1.15 CCC(C)OCc1cc(ccn1)C 7a_100000210228_100000718516 [0,1,0,0,0,1|2,0,0]=4 6316 B13R1.15 CCC(C)OCc1cc(ccn1)Cl 34a_100000748867_100011215416 [0,1,0,0,0,1|2,0,0]=4 6317 B13R1.15 CCC(C)OCc1cc(ccn1)Cl 7a_100000210228_100016988179 [0,1,0,0,0,1|2,0,0]=4 6318 B13R1.15 CCC(C)OCc1cc(ccn1)N 34a_100000692640_100011215416 [0,1,0,0,0,1|2,0,0]=4 6319 B13R1.15 CCC(C)OCc1ccc[n+](c1)[O-] 34a_100000037817_100011215416 [0,1,0,0,0,1|2,0,0]=4 6320 B13R1.15 CCC(C)OCc1ccc[n+](c1)[O-] 7a_100000037817_100000758301 [0,1,0,0,0,1|2,0,0]=4 6321 B13R1.15 CCC(C)OCc1cccc(c1)Br 34a_100000687537_100011215416 [0,1,0,0,0,1|1,0,0]=3 6322 B13R1.15 CCC(C)OCc1cccc(c1)Br 7a_100000210228_100000211773 [0,1,0,0,0,1|1,0,0]=3 6323 B13R1.15 CCC(C)OCc1cccc(c1)Br 7a_100000687537_100000758301 [0,1,0,0,0,1|1,0,0]=3 6324 B13R1.15 CCC(C)OCc1cccc(c1)C 34a_100011217746_100011215416 [0,1,0,0,0,1|1,0,0]=3 6325 B13R1.15 CCC(C)OCc1cccc(c1)C 7a_100000210228_100000211840 [0,1,0,0,0,1|1,0,0]=3 6326 B13R1.15 CCC(C)OCc1cccc(c1)C 7a_100011217746_100000758301 [0,1,0,0,0,1|1,0,0]=3 6327 B13R1.15 CCC(C)OCc1cccc(c1)Cl 34a_100000241301_100011215416 [0,1,0,0,0,1|1,0,0]=3 6328 B13R1.15 CCC(C)OCc1cccc(c1)Cl 7a_100000210228_100000187163 [0,1,0,0,0,1|1,0,0]=3 6329 B13R1.15 CCC(C)OCc1cccc(c1)Cl 7a_100000241301_100000758301 [0,1,0,0,0,1|1,0,0]=3 6330 B13R1.15 CCC(C)OCc1cccc(c1)F 34a_100000210976_100011215416 [0,1,0,0,0,1|1,0,0]=3 6331 B13R1.15 CCC(C)OCc1cccc(c1)F 7a_100000210228_100000230114 [0,1,0,0,0,1|1,0,0]=3 6332 B13R1.15 CCC(C)OCc1cccc(c1)F 7a_100000210976_100000758301 [0,1,0,0,0,1|1,0,0]=3 6333 B13R1.15 CCC(C)OCc1cccc(c1)I 34a_100011215336_100011215416 [0,1,0,0,0,1|1,0,0]=3 6334 B13R1.15 CCC(C)OCc1cccc(c1)I 7a_100000210228_100011218688 [0,1,0,0,0,1|1,0,0]=3 6335 B13R1.15 CCC(C)OCc1cccc(c1)I 7a_100011215336_100000758301 [0,1,0,0,0,1|1,0,0]=3 6336 B13R1.15 CCC(C)OCc1cccc(c1)N 34a_100000211919_100011215416 [0,1,0,0,0,1|1,0,0]=3 6337 B13R1.15 CCC(C)OCc1cccc(c1)O 7a_100000210228_100000084143 [0,1,0,0,0,1|1,0,0]=3 6338 B13R1.15 CCC(C)OCc1cccc(n1)Br 34a_100000694195_100011215416 [0,1,0,0,0,1|2,0,0]=4 6339 B13R1.15 CCC(C)OCc1cccc(n1)Br 7a_100000210228_100009889011 [0,1,0,0,0,1|2,0,0]=4 6340 B13R1.15 CCC(C)OCc1cccc(n1)C 34a_100000690600_100011215416 [0,1,0,0,0,1|2,0,0]=4 6341 B13R1.15 CCC(C)OCc1cccc(n1)C 7a_100000210228_100000757606 [0,1,0,0,0,1|2,0,0]=4 6342 B13R1.15 CCC(C)OCc1cccc(n1)Cl 34a_100011998359_100011215416 [0,1,0,0,0,1|2,0,0]=4 6343 B13R1.15 CCC(C)OCc1cccc(n1)Cl 7a_100000210228_100000086093 [0,1,0,0,0,1|2,0,0]=4 6344 B13R1.15 CCC(C)OCc1cccc(n1)F 34a_100000086748_100011215416 [0,1,0,0,0,1|2,0,0]=4 6345 B13R1.15 CCC(C)OCc1cccc(n1)F 7a_100000210228_100009819644 [0,1,0,0,0,1|2,0,0]=4 6346 B13R1.15 CCC(C)OCc1ccnc(c1)Br 34a_100009814636_100011215416 [0,1,0,0,0,1|2,0,0]=4 6347 B13R1.15 CCC(C)OCc1ccnc(c1)Br 7a_100000210228_100010254460 [0,1,0,0,0,1|2,0,0]=4 6348 B13R1.15 CCC(C)OCc1ccnc(c1)Br 7a_100009814636_100000758301 [0,1,0,0,0,1|2,0,0]=4 6349 B13R1.15 CCC(C)OCc1ccnc(c1)C 34a_100011998630_100011215416 [0,1,0,0,0,1|2,0,0]=4 6350 B13R1.15 CCC(C)OCc1ccnc(c1)C 7a_100000210228_200020672517 [0,1,0,0,0,1|2,0,0]=4 6351 B13R1.15 CCC(C)OCc1ccnc(c1)Cl 34a_100000748751_100011215416 [0,1,0,0,0,1|2,0,0]=4 6352 B13R1.15 CCC(C)OCc1ccnc(c1)Cl 7a_100000210228_100000764220 [0,1,0,0,0,1|2,0,0]=4 6353 B13R1.15 CCC(C)OCc1ccnc(c1)F 34a_100000082451_100011215416 [0,1,0,0,0,1|2,0,0]=4 6354 B13R1.15 CCC(C)OCc1cncc(c1)Br 34a_100011259137_100011215416 [0,1,0,0,0,1|2,0,0]=4 6355 B13R1.15 CCC(C)OCc1cncc(c1)Br 7a_100000210228_100000738771 [0,1,0,0,0,1|2,0,0]=4 6356 B13R1.15 CCC(C)OCc1cncc(c1)Br 7a_100011259137_100000758301 [0,1,0,0,0,1|2,0,0]=4 6357 B13R1.15 CCC(C)OCc1cncc(c1)C 34a_100011998709_100011215416 [0,1,0,0,0,1|2,0,0]=4 6358 B13R1.15 CCC(C)OCc1cncc(c1)C 7a_100000210228_100000716715 [0,1,0,0,0,1|2,0,0]=4 6359 B13R1.15 CCC(C)OCc1cncc(c1)C 7a_100011998709_100000758301 [0,1,0,0,0,1|2,0,0]=4 6360 B13R1.15 CCC(C)OCc1cncc(c1)Cl 34a_100000092867_100011215416 [0,1,0,0,0,1|2,0,0]=4 6361 B13R1.15 CCC(C)OCc1cncc(c1)Cl 7a_100000092867_100000758301 [0,1,0,0,0,1|2,0,0]=4 6362 B13R1.15 CCC(C)OCc1cncc(c1)Cl 7a_100000210228_100016992070 [0,1,0,0,0,1|2,0,0]=4 6363 B13R1.15 CCC(C)OCc1cncc(c1)F 34a_100011962875_100011215416 [0,1,0,0,0,1|2,0,0]=4 6364 B13R1.15 CCC(C)OCc1cncc(c1)F 7a_100000210228_100000725299 [0,1,0,0,0,1|2,0,0]=4 6365 B13R1.15 CCC(C)OCc1cncc(c1)F 7a_100011962875_100000758301 [0,1,0,0,0,1|2,0,0]=4 6366 B13R1.15 CCC(C)OCc1cncc(c1)N 34a_100000085308_100011215416 [0,1,0,0,0,1|2,0,0]=4 6367 B13R1.15 CCC(C)SCc1cc(ccn1)Br 62a_100000758301_100010173614 [0,1,0,0,0,1|2,0,0]=4 6368 B13R1.15 CCC(C)SCc1cc(ccn1)Br 62a_100010173614_100000758301 [0,1,0,0,0,1|2,0,0]=4 6369 B13R1.15 CCC(C)SCc1cc(ccn1)C 62a_100000718516_100000758301 [0,1,0,0,0,1|2,0,0]=4 6370 B13R1.15 CCC(C)SCc1cc(ccn1)C 62a_100000758301_100000718516 [0,1,0,0,0,1|2,0,0]=4 6371 B13R1.15 CCC(C)SCc1cc(ccn1)Cl 62a_100000758301_100016988179 [0,1,0,0,0,1|2,0,0]=4 6372 B13R1.15 CCC(C)SCc1cc(ccn1)Cl 62a_100016988179_100000758301 [0,1,0,0,0,1|2,0,0]=4 6373 B13R1.15 CCC(C)SCc1cccc(c1)Br 62a_100000211773_100000758301 [0,1,0,0,0,1|1,0,0]=3 6374 B13R1.15 CCC(C)SCc1cccc(c1)Br 62a_100000758301_100000211773 [0,1,0,0,0,1|1,0,0]=3 6375 B13R1.15 CCC(C)SCc1cccc(c1)C 62a_100000211840_100000758301 [0,1,0,0,0,1|1,0,0]=3 6376 B13R1.15 CCC(C)SCc1cccc(c1)C 62a_100000758301_100000211840 [0,1,0,0,0,1|1,0,0]=3 6377 B13R1.15 CCC(C)SCc1cccc(c1)Cl 62a_100000187163_100000758301 [0,1,0,0,0,1|1,0,0]=3 6378 B13R1.15 CCC(C)SCc1cccc(c1)Cl 62a_100000758301_100000187163 [0,1,0,0,0,1|1,0,0]=3 6379 B13R1.15 CCC(C)SCc1cccc(c1)F 62a_100000230114_100000758301 [0,1,0,0,0,1|1,0,0]=3 6380 B13R1.15 CCC(C)SCc1cccc(c1)F 62a_100000758301_100000230114 [0,1,0,0,0,1|1,0,0]=3 6381 B13R1.15 CCC(C)SCc1cccc(c1)I 62a_100000758301_100011218688 [0,1,0,0,0,1|1,0,0]=3 6382 B13R1.15 CCC(C)SCc1cccc(c1)I 62a_100011218688_100000758301 [0,1,0,0,0,1|1,0,0]=3 6383 B13R1.15 CCC(C)SCc1cccc(c1)O 62a_100000758301_100011660834 [0,1,0,0,0,1|1,0,0]=3 6384 B13R1.15 CCC(C)SCc1cccc(c1)O 62a_100011660834_100000758301 [0,1,0,0,0,1|1,0,0]=3 6385 B13R1.15 CCC(C)SCc1cccc(n1)Br 62a_100000758301_100009889011 [0,1,0,0,0,1|2,0,0]=4 6386 B13R1.15 CCC(C)SCc1cccc(n1)Br 62a_100009889011_100000758301 [0,1,0,0,0,1|2,0,0]=4 6387 B13R1.15 CCC(C)SCc1cccc(n1)C 62a_100000757606_100000758301 [0,1,0,0,0,1|2,0,0]=4 6388 B13R1.15 CCC(C)SCc1cccc(n1)C 62a_100000758301_100000757606 [0,1,0,0,0,1|2,0,0]=4 6389 B13R1.15 CCC(C)SCc1cccc(n1)Cl 62a_100000086093_100000758301 [0,1,0,0,0,1|2,0,0]=4 6390 B13R1.15 CCC(C)SCc1cccc(n1)Cl 62a_100000758301_100000086093 [0,1,0,0,0,1|2,0,0]=4 6391 B13R1.15 CCC(C)SCc1cccc(n1)F 62a_100000758301_100009819644 [0,1,0,0,0,1|2,0,0]=4 6392 B13R1.15 CCC(C)SCc1cccc(n1)F 62a_100009819644_100000758301 [0,1,0,0,0,1|2,0,0]=4 6393 B13R1.15 CCC(C)SCc1ccnc(c1)Br 62a_100000758301_100010243470 [0,1,0,0,0,1|2,0,0]=4 6394 B13R1.15 CCC(C)SCc1ccnc(c1)Br 62a_100010254460_100000758301 [0,1,0,0,0,1|2,0,0]=4 6395 B13R1.15 CCC(C)SCc1ccnc(c1)C 62a_100000758301_200020672517 [0,1,0,0,0,1|2,0,0]=4 6396 B13R1.15 CCC(C)SCc1ccnc(c1)C 62a_200020672517_100000758301 [0,1,0,0,0,1|2,0,0]=4 6397 B13R1.15 CCC(C)SCc1ccnc(c1)Cl 62a_100000758301_100000764220 [0,1,0,0,0,1|2,0,0]=4 6398 B13R1.15 CCC(C)SCc1ccnc(c1)Cl 62a_100000764220_100000758301 [0,1,0,0,0,1|2,0,0]=4 6399 B13R1.15 CCC(C)SCc1cncc(c1)Br 62a_100000738771_100000758301 [0,1,0,0,0,1|2,0,0]=4 6400 B13R1.15 CCC(C)SCc1cncc(c1)Br 62a_100000758301_100000738771 [0,1,0,0,0,1|2,0,0]=4 6401 B13R1.15 CCC(C)SCc1cncc(c1)C 62a_100000716715_100000758301 [0,1,0,0,0,1|2,0,0]=4 6402 B13R1.15 CCC(C)SCc1cncc(c1)C 62a_100000758301_100000716715 [0,1,0,0,0,1|2,0,0]=4 6403 B13R1.15 CCC(C)SCc1cncc(c1)Cl 62a_100000758301_100016992070 [0,1,0,0,0,1|2,0,0]=4 6404 B13R1.15 CCC(C)SCc1cncc(c1)Cl 62a_100016992070_100000758301 [0,1,0,0,0,1|2,0,0]=4 6405 B13R1.15 CCC(C)SCc1cncc(c1)F 62a_100000725299_100000758301 [0,1,0,0,0,1|2,0,0]=4 6406 B13R1.15 CCC(C)SCc1cncc(c1)F 62a_100000758301_100000725299 [0,1,0,0,0,1|2,0,0]=4 6407 B13R1.15 CCC(O)CNc1cccc(c1)Br 34a_100000210019_100011218378 [0,1,0,0,0,1|2,0,0]=4 6408 B13R1.15 CCC(O)CNc1cccc(c1)C 2230a_100000188690_100011218378 [0,1,0,0,0,1|2,0,0]=4 6409 B13R1.15 CCC(O)CNc1cccc(c1)C 34a_100000188690_100011218378 [0,1,0,0,0,1|2,0,0]=4 6410 B13R1.15 CCC(O)CNc1cccc(c1)Cl 34a_100000185859_100011218378 [0,1,0,0,0,1|2,0,0]=4 6411 B13R1.15 CCC(O)CNc1cccc(c1)F 34a_100000210047_100011218378 [0,1,0,0,0,1|2,0,0]=4 6412 B13R1.15 CCC(O)CNc1cccc(c1)I 34a_100000211102_100011218378 [0,1,0,0,0,1|2,0,0]=4 6413 B13R1.15 CCC(O)CNc1cccc(c1)O 34a_100000210217_100011218378 [0,1,0,0,0,1|2,0,0]=4 6414 B13R1.15 CCC(O)COc1cccc(c1)Br 34a_100000210342_100011218378 [0,1,0,0,0,1|2,0,0]=4 6415 B13R1.15 CCC(O)COc1cccc(c1)Br 7a_100000210342_100011218378 [0,1,0,0,0,1|2,0,0]=4 6416 B13R1.15 CCC(O)COc1cccc(c1)C 34a_100000210337_100011218378 [0,1,0,0,0,1|2,0,0]=4 6417 B13R1.15 CCC(O)COc1cccc(c1)C 7a_100000210337_100011218378 [0,1,0,0,0,1|2,0,0]=4 6418 B13R1.15 CCC(O)COc1cccc(c1)Cl 34a_100000210295_100011218378 [0,1,0,0,0,1|2,0,0]=4 6419 B13R1.15 CCC(O)COc1cccc(c1)Cl 7a_100000210295_100011218378 [0,1,0,0,0,1|2,0,0]=4 6420 B13R1.15 CCC(O)COc1cccc(c1)F 34a_100000210426_100011218378 [0,1,0,0,0,1|2,0,0]=4 6421 B13R1.15 CCC(O)COc1cccc(c1)F 7a_100000210426_100011218378 [0,1,0,0,0,1|2,0,0]=4 6422 B13R1.15 CCC(O)COc1cccc(c1)I 34a_100000211634_100011218378 [0,1,0,0,0,1|2,0,0]=4 6423 B13R1.15 CCC(O)COc1cccc(c1)I 7a_100000211634_100011218378 [0,1,0,0,0,1|2,0,0]=4 6424 B13R1.15 CCC(O)COc1cccc(c1)N 34a_100000210217_100011218378 [0,1,0,0,0,1|2,0,0]=4 6425 B13R1.15 CCC(O)CSc1cccc(c1)Br 62a_100000691529_100011218378 [0,1,0,0,0,1|2,0,0]=4 6426 B13R1.15 CCC(O)CSc1cccc(c1)Br 62a_100011218378_100000691529 [0,1,0,0,0,1|2,0,0]=4 6427 B13R1.15 CCC(O)CSc1cccc(c1)C 62a_100011215228_100011218378 [0,1,0,0,0,1|2,0,0]=4 6428 B13R1.15 CCC(O)CSc1cccc(c1)C 62a_100011218378_100011215228 [0,1,0,0,0,1|2,0,0]=4 6429 B13R1.15 CCC(O)CSc1cccc(c1)Cl 62a_100000699651_100011218378 [0,1,0,0,0,1|2,0,0]=4 6430 B13R1.15 CCC(O)CSc1cccc(c1)Cl 62a_100011218378_100000699651 [0,1,0,0,0,1|2,0,0]=4 6431 B13R1.15 CCC(O)CSc1cccc(c1)F 62a_100000685547_100011218378 [0,1,0,0,0,1|2,0,0]=4 6432 B13R1.15 CCC(O)CSc1cccc(c1)F 62a_100011218378_100000685547 [0,1,0,0,0,1|2,0,0]=4 6433 B13R1.15 CCC(O)CSc1cccc(c1)N 62a_100000210019_100011218378 [0,1,0,0,0,1|2,0,0]=4 6434 B13R1.15 CCC(O)CSc1cccc(c1)N 62a_100011218378_100000210019 [0,1,0,0,0,1|2,0,0]=4 6435 B13R1.15 CCC(O)CSc1cccc(c1)O 62a_100011218378_100000211634 [0,1,0,0,0,1|2,0,0]=4 6436 B13R1.15 CCC(O)CSc1cccc(c1)[S] 62a_100011218378_114929384022 [0,1,0,0,0,1|2,0,0]=4 6437 B13R1.15 CCC(O)CSc1cccc(c1)[S] 62a_114929384022_100011218378 [0,1,0,0,0,1|2,0,0]=4 6438 B13R1.15 CCN(C)CCc1cccc(c1)Br 2230a_100000225621_100011740638 [0,1,0,0,0,1|2,0,0]=4 6439 B13R1.15 CCN(C)CCc1cccc(c1)Br 269982a_100000225621_100011740638 [0,1,0,0,0,1|2,0,0]=4 6440 B13R1.15 CCN(C)CCc1cccc(c1)C 2230a_100000225621_100011713685 [0,1,0,0,0,1|2,0,0]=4 6441 B13R1.15 CCN(C)CCc1cccc(c1)C 2230a_114849113767_100000210202 [0,1,0,0,0,1|2,0,0]=4 6442 B13R1.15 CCN(C)CCc1cccc(c1)C 269982a_100000225621_100011713685 [0,1,0,0,0,1|2,0,0]=4 6443 B13R1.15 CCN(C)CCc1cccc(c1)C 269982a_114849113767_100000204670 [0,1,0,0,0,1|2,0,0]=4 6444 B13R1.15 CCN(C)CCc1cccc(c1)C 34a_114849113767_100000210202 [0,1,0,0,0,1|2,0,0]=4 6445 B13R1.15 CCN(C)CCc1cccc(c1)Cl 2230a_100000225621_100011713710 [0,1,0,0,0,1|2,0,0]=4 6446 B13R1.15 CCN(C)CCc1cccc(c1)Cl 2230a_106726388433_100000210202 [0,1,0,0,0,1|2,0,0]=4 6447 B13R1.15 CCN(C)CCc1cccc(c1)Cl 269982a_100000225621_100011713710 [0,1,0,0,0,1|2,0,0]=4 6448 B13R1.15 CCN(C)CCc1cccc(c1)Cl 269982a_106726388433_100000204670 [0,1,0,0,0,1|2,0,0]=4 6449 B13R1.15 CCN(C)CCc1cccc(c1)Cl 34a_106726388433_100000210202 [0,1,0,0,0,1|2,0,0]=4 6450 B13R1.15 CCN(C)CCc1cccc(c1)F 2230a_100000225621_100011217235 [0,1,0,0,0,1|2,0,0]=4 6451 B13R1.15 CCN(C)CCc1cccc(c1)F 2230a_106726388868_100000210202 [0,1,0,0,0,1|2,0,0]=4 6452 B13R1.15 CCN(C)CCc1cccc(c1)F 269982a_100000225621_100011217235 [0,1,0,0,0,1|2,0,0]=4 6453 B13R1.15 CCN(C)CCc1cccc(c1)F 269982a_106726388868_100000204670 [0,1,0,0,0,1|2,0,0]=4 6454 B13R1.15 CCN(C)CCc1cccc(c1)F 34a_106726388868_100000210202 [0,1,0,0,0,1|2,0,0]=4 6455 B13R1.15 CC[C@H](C)CNc1cccc(c1)Br 34a_100000210019_100009816398 [0,1,0,0,0,1|1,0,0]=3 6456 B13R1.15 CC[C@H](C)CNc1cccc(c1)C 2230a_100000188690_100009816398 [0,1,0,0,0,1|1,0,0]=3 6457 B13R1.15 CC[C@H](C)CNc1cccc(c1)C 34a_100000188690_100009816398 [0,1,0,0,0,1|1,0,0]=3 6458 B13R1.15 CC[C@H](C)CNc1cccc(c1)Cl 34a_100000185859_100009816398 [0,1,0,0,0,1|1,0,0]=3 6459 B13R1.15 CC[C@H](C)CNc1cccc(c1)F 34a_100000210047_100009816398 [0,1,0,0,0,1|1,0,0]=3 6460 B13R1.15 CC[C@H](C)CNc1cccc(c1)I 34a_100000211102_100009816398 [0,1,0,0,0,1|1,0,0]=3 6461 B13R1.15 CC[C@H](C)CNc1cccc(c1)O 34a_100000210217_100009816398 [0,1,0,0,0,1|1,0,0]=3 6462 B13R1.15 CC[C@H](C)COc1cc[nH]c(=O)c1 34a_100000032262_100009816398 [0,1,0,0,0,1|2,0,0]=4 6463 B13R1.15 CC[C@H](C)COc1ccc[n+](c1)[O-] 34a_100000039713_100009816398 [0,1,0,0,0,1|2,0,0]=4 6464 B13R1.15 CC[C@H](C)COc1ccc[n+](c1)[O-] 7a_100000039713_100009816398 [0,1,0,0,0,1|2,0,0]=4 6465 B13R1.15 CC[C@H](C)COc1cccc(=O)[nH]1 34a_100000033347_100009816398 [0,1,0,0,0,1|2,0,0]=4 6466 B13R1.15 CC[C@H](C)COc1cccc(c1)Br 34a_100000210342_100009816398 [0,1,0,0,0,1|1,0,0]=3 6467 B13R1.15 CC[C@H](C)COc1cccc(c1)Br 7a_100000210342_100009816398 [0,1,0,0,0,1|1,0,0]=3 6468 B13R1.15 CC[C@H](C)COc1cccc(c1)C 34a_100000210337_100009816398 [0,1,0,0,0,1|1,0,0]=3 6469 B13R1.15 CC[C@H](C)COc1cccc(c1)C 7a_100000210337_100009816398 [0,1,0,0,0,1|1,0,0]=3 6470 B13R1.15 CC[C@H](C)COc1cccc(c1)Cl 34a_100000210295_100009816398 [0,1,0,0,0,1|1,0,0]=3 6471 B13R1.15 CC[C@H](C)COc1cccc(c1)Cl 7a_100000210295_100009816398 [0,1,0,0,0,1|1,0,0]=3 6472 B13R1.15 CC[C@H](C)COc1cccc(c1)F 34a_100000210426_100009816398 [0,1,0,0,0,1|1,0,0]=3 6473 B13R1.15 CC[C@H](C)COc1cccc(c1)F 7a_100000210426_100009816398 [0,1,0,0,0,1|1,0,0]=3 6474 B13R1.15 CC[C@H](C)COc1cccc(c1)I 34a_100000211634_100009816398 [0,1,0,0,0,1|1,0,0]=3 6475 B13R1.15 CC[C@H](C)COc1cccc(c1)I 7a_100000211634_100009816398 [0,1,0,0,0,1|1,0,0]=3 6476 B13R1.15 CC[C@H](C)COc1cccc(c1)N 34a_100000210217_100009816398 [0,1,0,0,0,1|1,0,0]=3 6477 B13R1.15 CC[C@H](C)COc1cccc(n1)F 34a_100011432558_100009816398 [0,1,0,0,0,1|2,0,0]=4 6478 B13R1.15 CC[C@H](C)COc1ccnc(c1)C 34a_100000688365_100009816398 [0,1,0,0,0,1|2,0,0]=4 6479 B13R1.15 CC[C@H](C)COc1ccnc(c1)Cl 34a_100000762945_100009816398 [0,1,0,0,0,1|2,0,0]=4 6480 B13R1.15 CC[C@H](C)COc1ccnc(c1)F 34a_100000732698_100009816398 [0,1,0,0,0,1|2,0,0]=4 6481 B13R1.15 CC[C@H](C)COc1ccnc(c1)N 34a_100011834064_100009816398 [0,1,0,0,0,1|2,0,0]=4 6482 B13R1.15 CC[C@H](C)COc1cncc(c1)Br 34a_100000754920_100009816398 [0,1,0,0,0,1|2,0,0]=4 6483 B13R1.15 CC[C@H](C)COc1cncc(c1)Br 7a_100000754920_100009816398 [0,1,0,0,0,1|2,0,0]=4 6484 B13R1.15 CC[C@H](C)COc1cncc(c1)C 34a_100011830280_100009816398 [0,1,0,0,0,1|2,0,0]=4 6485 B13R1.15 CC[C@H](C)COc1cncc(c1)C 7a_100011830280_100009816398 [0,1,0,0,0,1|2,0,0]=4 6486 B13R1.15 CC[C@H](C)COc1cncc(c1)Cl 7a_100000032511_100009816398 [0,1,0,0,0,1|2,0,0]=4 6487 B13R1.15 CC[C@H](C)COc1cncc(c1)F 34a_100011830296_100009816398 [0,1,0,0,0,1|2,0,0]=4 6488 B13R1.15 CC[C@H](C)COc1cncc(c1)F 7a_100011830296_100009816398 [0,1,0,0,0,1|2,0,0]=4 6489 B13R1.15 CC[C@H](C)COc1cncc(c1)N 34a_100011997051_100009816398 [0,1,0,0,0,1|2,0,0]=4 6490 B13R1.15 CC[C@H](C)CSc1cc(=O)cc[nH]1 62a_100009817434_100009816398 [0,1,0,0,0,1|2,0,0]=4 6491 B13R1.15 CC[C@H](C)CSc1cc(ccn1)C 62a_100000750283_100009816398 [0,1,0,0,0,1|2,0,0]=4 6492 B13R1.15 CC[C@H](C)CSc1cc(ccn1)C 62a_100009816398_100000750283 [0,1,0,0,0,1|2,0,0]=4 6493 B13R1.15 CC[C@H](C)CSc1cc(ccn1)Cl 62a_100009816398_100010167805 [0,1,0,0,0,1|2,0,0]=4 6494 B13R1.15 CC[C@H](C)CSc1cc(ccn1)Cl 62a_100010167805_100009816398 [0,1,0,0,0,1|2,0,0]=4 6495 B13R1.15 CC[C@H](C)CSc1cc(ccn1)F 62a_100000764206_100009816398 [0,1,0,0,0,1|2,0,0]=4 6496 B13R1.15 CC[C@H](C)CSc1cc(ccn1)F 62a_100009816398_100000764206 [0,1,0,0,0,1|2,0,0]=4 6497 B13R1.15 CC[C@H](C)CSc1cc(ccn1)N 62a_100009814236_100009816398 [0,1,0,0,0,1|2,0,0]=4 6498 B13R1.15 CC[C@H](C)CSc1cc(ccn1)N 62a_100009816398_100009814236 [0,1,0,0,0,1|2,0,0]=4 6499 B13R1.15 CC[C@H](C)CSc1cc(ccn1)O 62a_100009816398_100000762945 [0,1,0,0,0,1|2,0,0]=4 6500 B13R1.15 CC[C@H](C)CSc1cc[nH]c(=O)c1 62a_100009816398_100009816521 [0,1,0,0,0,1|2,0,0]=4 6501 B13R1.15 CC[C@H](C)CSc1cc[nH]c(=O)c1 62a_100009816521_100009816398 [0,1,0,0,0,1|2,0,0]=4 6502 B13R1.15 CC[C@H](C)CSc1ccc[n+](c1)C 62a_100009816398_100009996589 [0,1,0,0,0,1|2,0,0]=4 6503 B13R1.15 CC[C@H](C)CSc1ccc[n+](c1)C 62a_100009996589_100009816398 [0,1,0,0,0,1|2,0,0]=4 6504 B13R1.15 CC[C@H](C)CSc1ccc[n+](c1)[O-] 62a_100009816398_100009815978 [0,1,0,0,0,1|2,0,0]=4 6505 B13R1.15 CC[C@H](C)CSc1cccc(=O)[nH]1 62a_100009816398_100000752884 [0,1,0,0,0,1|2,0,0]=4 6506 B13R1.15 CC[C@H](C)CSc1cccc(c1)Br 62a_100000691529_100009816398 [0,1,0,0,0,1|1,0,0]=3 6507 B13R1.15 CC[C@H](C)CSc1cccc(c1)Br 62a_100009816398_100000691529 [0,1,0,0,0,1|1,0,0]=3 6508 B13R1.15 CC[C@H](C)CSc1cccc(c1)C 62a_100009816398_100011215228 [0,1,0,0,0,1|1,0,0]=3 6509 B13R1.15 CC[C@H](C)CSc1cccc(c1)C 62a_100011215228_100009816398 [0,1,0,0,0,1|1,0,0]=3 6510 B13R1.15 CC[C@H](C)CSc1cccc(c1)Cl 62a_100000699651_100009816398 [0,1,0,0,0,1|1,0,0]=3 6511 B13R1.15 CC[C@H](C)CSc1cccc(c1)Cl 62a_100009816398_100000699651 [0,1,0,0,0,1|1,0,0]=3 6512 B13R1.15 CC[C@H](C)CSc1cccc(c1)F 62a_100000685547_100009816398 [0,1,0,0,0,1|1,0,0]=3 6513 B13R1.15 CC[C@H](C)CSc1cccc(c1)F 62a_100009816398_100000685547 [0,1,0,0,0,1|1,0,0]=3 6514 B13R1.15 CC[C@H](C)CSc1cccc(c1)N 62a_100000210019_100009816398 [0,1,0,0,0,1|1,0,0]=3 6515 B13R1.15 CC[C@H](C)CSc1cccc(c1)N 62a_100009816398_100000210019 [0,1,0,0,0,1|1,0,0]=3 6516 B13R1.15 CC[C@H](C)CSc1cccc(c1)O 62a_100009816398_100000211634 [0,1,0,0,0,1|1,0,0]=3 6517 B13R1.15 CC[C@H](C)CSc1cccc(c1)[S] 62a_100009816398_114929384022 [0,1,0,0,0,1|1,0,0]=3 6518 B13R1.15 CC[C@H](C)CSc1cccc(c1)[S] 62a_114929384022_100009816398 [0,1,0,0,0,1|1,0,0]=3 6519 B13R1.15 CC[C@H](C)CSc1cccc(n1)Br 62a_100000684672_100009816398 [0,1,0,0,0,1|2,0,0]=4 6520 B13R1.15 CC[C@H](C)CSc1cccc(n1)Br 62a_100009816398_100000684672 [0,1,0,0,0,1|2,0,0]=4 6521 B13R1.15 CC[C@H](C)CSc1cccc(n1)C 62a_100000742759_100009816398 [0,1,0,0,0,1|2,0,0]=4 6522 B13R1.15 CC[C@H](C)CSc1cccc(n1)C 62a_100009816398_100000742759 [0,1,0,0,0,1|2,0,0]=4 6523 B13R1.15 CC[C@H](C)CSc1cccc(n1)Cl 62a_100000051397_100009816398 [0,1,0,0,0,1|2,0,0]=4 6524 B13R1.15 CC[C@H](C)CSc1cccc(n1)Cl 62a_100009816398_100000051397 [0,1,0,0,0,1|2,0,0]=4 6525 B13R1.15 CC[C@H](C)CSc1cccc(n1)F 62a_100009815982_100009816398 [0,1,0,0,0,1|2,0,0]=4 6526 B13R1.15 CC[C@H](C)CSc1cccc(n1)F 62a_100009816398_100009815982 [0,1,0,0,0,1|2,0,0]=4 6527 B13R1.15 CC[C@H](C)CSc1cccc(n1)N 62a_100000740741_100009816398 [0,1,0,0,0,1|2,0,0]=4 6528 B13R1.15 CC[C@H](C)CSc1cccc(n1)N 62a_100009816398_100000740741 [0,1,0,0,0,1|2,0,0]=4 6529 B13R1.15 CC[C@H](C)CSc1ccnc(c1)Br 62a_100009814637_100009816398 [0,1,0,0,0,1|2,0,0]=4 6530 B13R1.15 CC[C@H](C)CSc1ccnc(c1)Br 62a_100009816398_100009814637 [0,1,0,0,0,1|2,0,0]=4 6531 B13R1.15 CC[C@H](C)CSc1ccnc(c1)C 62a_100000758586_100009816398 [0,1,0,0,0,1|2,0,0]=4 6532 B13R1.15 CC[C@H](C)CSc1ccnc(c1)C 62a_100009816398_100000758586 [0,1,0,0,0,1|2,0,0]=4 6533 B13R1.15 CC[C@H](C)CSc1ccnc(c1)Cl 62a_100000035001_100009816398 [0,1,0,0,0,1|2,0,0]=4 6534 B13R1.15 CC[C@H](C)CSc1ccnc(c1)Cl 62a_100009816398_100000035001 [0,1,0,0,0,1|2,0,0]=4 6535 B13R1.15 CC[C@H](C)CSc1ccnc(c1)F 62a_100009816116_100009816398 [0,1,0,0,0,1|2,0,0]=4 6536 B13R1.15 CC[C@H](C)CSc1ccnc(c1)F 62a_100009816398_100009816116 [0,1,0,0,0,1|2,0,0]=4 6537 B13R1.15 CC[C@H](C)CSc1ccnc(c1)N 62a_100000049665_100009816398 [0,1,0,0,0,1|2,0,0]=4 6538 B13R1.15 CC[C@H](C)CSc1ccnc(c1)N 62a_100009816398_100000049665 [0,1,0,0,0,1|2,0,0]=4 6539 B13R1.15 CC[C@H](C)CSc1cncc(c1)Br 62a_100000728054_100009816398 [0,1,0,0,0,1|2,0,0]=4 6540 B13R1.15 CC[C@H](C)CSc1cncc(c1)Br 62a_100009816398_100000728054 [0,1,0,0,0,1|2,0,0]=4 6541 B13R1.15 CC[C@H](C)CSc1cncc(c1)C 62a_100000760492_100009816398 [0,1,0,0,0,1|2,0,0]=4 6542 B13R1.15 CC[C@H](C)CSc1cncc(c1)C 62a_100009816398_100000760492 [0,1,0,0,0,1|2,0,0]=4 6543 B13R1.15 CC[C@H](C)CSc1cncc(c1)Cl 62a_100000049639_100009816398 [0,1,0,0,0,1|2,0,0]=4 6544 B13R1.15 CC[C@H](C)CSc1cncc(c1)Cl 62a_100009816398_100000049639 [0,1,0,0,0,1|2,0,0]=4 6545 B13R1.15 CC[C@H](C)CSc1cncc(c1)F 62a_100000744099_100009816398 [0,1,0,0,0,1|2,0,0]=4 6546 B13R1.15 CC[C@H](C)CSc1cncc(c1)F 62a_100009816398_100000744099 [0,1,0,0,0,1|2,0,0]=4 6547 B13R1.15 CC[C@H](C)CSc1cncc(c1)N 62a_100000687067_100009816398 [0,1,0,0,0,1|2,0,0]=4 6548 B13R1.15 CC[C@H](C)CSc1cncc(c1)N 62a_100009816398_100000687067 [0,1,0,0,0,1|2,0,0]=4 6549 B13R1.15 CC[C@H](C)CSc1cncc(c1)O 62a_100000754920_100009816398 [0,1,0,0,0,1|2,0,0]=4 6550 B13R1.15 CC[C@H](C)CSc1cncc(c1)O 62a_100009816398_100000754920 [0,1,0,0,0,1|2,0,0]=4 6551 B13R1.15 CNC(=O)CCc1cccc(c1)Br 11a_106832991635_100000184314 [0,1,0,0,0,1|1,0,1]=4 6552 B13R1.15 CNC(=O)CCc1cccc(c1)Br 1626a_100102657272_100000184314 [0,1,0,0,0,1|1,0,1]=4 6553 B13R1.15 CNC(=O)CCc1cccc(c1)Br 240690a_100102657272_100000184314 [0,1,0,0,0,1|1,0,1]=4 6554 B13R1.15 CNC(=O)CCc1cccc(c1)Br 527a_100102657272_100000184314 [0,1,0,0,0,1|1,0,1]=4 6555 B13R1.15 CNC(=O)CCc1cccc(c1)C 11a_106832991635_100000234952 [0,1,0,0,0,1|1,0,1]=4 6556 B13R1.15 CNC(=O)CCc1cccc(c1)C 1626a_100102657272_100000234952 [0,1,0,0,0,1|1,0,1]=4 6557 B13R1.15 CNC(=O)CCc1cccc(c1)C 240690a_100102657272_100000234952 [0,1,0,0,0,1|1,0,1]=4 6558 B13R1.15 CNC(=O)CCc1cccc(c1)C 527a_100102657272_100000234952 [0,1,0,0,0,1|1,0,1]=4 6559 B13R1.15 CNC(=O)CCc1cccc(c1)Cl 11a_106832991635_100000235675 [0,1,0,0,0,1|1,0,1]=4 6560 B13R1.15 CNC(=O)CCc1cccc(c1)Cl 1626a_100102657272_100000235675 [0,1,0,0,0,1|1,0,1]=4 6561 B13R1.15 CNC(=O)CCc1cccc(c1)Cl 240690a_100102657272_100000235675 [0,1,0,0,0,1|1,0,1]=4 6562 B13R1.15 CNC(=O)CCc1cccc(c1)Cl 527a_100102657272_100000235675 [0,1,0,0,0,1|1,0,1]=4 6563 B13R1.15 CNC(=O)CCc1cccc(c1)F 11a_106832991635_100000235673 [0,1,0,0,0,1|1,0,1]=4 6564 B13R1.15 CNC(=O)CCc1cccc(c1)F 1626a_100102657272_100000235673 [0,1,0,0,0,1|1,0,1]=4 6565 B13R1.15 CNC(=O)CCc1cccc(c1)F 240690a_100102657272_100000235673 [0,1,0,0,0,1|1,0,1]=4 6566 B13R1.15 CNC(=O)CCc1cccc(c1)F 527a_100102657272_100000235673 [0,1,0,0,0,1|1,0,1]=4 6567 B13R1.15 CNC(=O)CCc1cccc(c1)I 11a_106832991635_100010007846 [0,1,0,0,0,1|1,0,1]=4 6568 B13R1.15 CNC(=O)CCc1cccc(c1)I 1626a_100102657272_100010007846 [0,1,0,0,0,1|1,0,1]=4 6569 B13R1.15 CNC(=O)CCc1cccc(c1)I 240690a_100102657272_100010007846 [0,1,0,0,0,1|1,0,1]=4 6570 B13R1.15 CNC(=O)CCc1cccc(c1)I 527a_100102657272_100010007846 [0,1,0,0,0,1|1,0,1]=4 6571 B13R1.15 CNC(=O)CCc1cccc(c1)O 240690a_100102657272_100011216126 [0,1,0,0,0,1|1,0,1]=4 6572 B13R1.15 CNC(=O)CCc1cccc(c1)O 527a_100102657272_100011216126 [0,1,0,0,0,1|1,0,1]=4 6573 B13R1.15 CNC(=O)CNc1cccc(c1)Br 34a_100000210019_100000183359 [0,1,0,0,0,1|1,0,1]=4 6574 B13R1.15 CNC(=O)CNc1cccc(c1)C 2230a_100000188690_100000183359 [0,1,0,0,0,1|1,0,1]=4 6575 B13R1.15 CNC(=O)CNc1cccc(c1)C 34a_100000188690_100000183359 [0,1,0,0,0,1|1,0,1]=4 6576 B13R1.15 CNC(=O)CNc1cccc(c1)Cl 34a_100000185859_100000183359 [0,1,0,0,0,1|1,0,1]=4 6577 B13R1.15 CNC(=O)CNc1cccc(c1)F 34a_100000210047_100000183359 [0,1,0,0,0,1|1,0,1]=4 6578 B13R1.15 CNC(=O)CNc1cccc(c1)I 34a_100000211102_100000183359 [0,1,0,0,0,1|1,0,1]=4 6579 B13R1.15 CNC(=O)CNc1cccc(c1)O 34a_100000210217_100000183359 [0,1,0,0,0,1|1,0,1]=4 6580 B13R1.15 CNC(=O)COc1cccc(c1)Br 11a_106832991635_100000182359 [0,1,0,0,0,1|1,0,1]=4 6581 B13R1.15 CNC(=O)COc1cccc(c1)Br 1626a_100102657272_100000182359 [0,1,0,0,0,1|1,0,1]=4 6582 B13R1.15 CNC(=O)COc1cccc(c1)Br 240690a_100102657272_100000182359 [0,1,0,0,0,1|1,0,1]=4 6583 B13R1.15 CNC(=O)COc1cccc(c1)Br 34a_100000210342_100000183359 [0,1,0,0,0,1|1,0,1]=4 6584 B13R1.15 CNC(=O)COc1cccc(c1)Br 527a_100102657272_100000182359 [0,1,0,0,0,1|1,0,1]=4 6585 B13R1.15 CNC(=O)COc1cccc(c1)Br 7a_100000210342_100000183359 [0,1,0,0,0,1|1,0,1]=4 6586 B13R1.15 CNC(=O)COc1cccc(c1)C 11a_106832991635_100000183606 [0,1,0,0,0,1|1,0,1]=4 6587 B13R1.15 CNC(=O)COc1cccc(c1)C 1626a_100102657272_100000183606 [0,1,0,0,0,1|1,0,1]=4 6588 B13R1.15 CNC(=O)COc1cccc(c1)C 240690a_100102657272_100000183606 [0,1,0,0,0,1|1,0,1]=4 6589 B13R1.15 CNC(=O)COc1cccc(c1)C 34a_100000210337_100000183359 [0,1,0,0,0,1|1,0,1]=4 6590 B13R1.15 CNC(=O)COc1cccc(c1)C 527a_100102657272_100000183606 [0,1,0,0,0,1|1,0,1]=4 6591 B13R1.15 CNC(=O)COc1cccc(c1)C 7a_100000210337_100000183359 [0,1,0,0,0,1|1,0,1]=4 6592 B13R1.15 CNC(=O)COc1cccc(c1)Cl 11a_106832991635_100000184978 [0,1,0,0,0,1|1,0,1]=4 6593 B13R1.15 CNC(=O)COc1cccc(c1)Cl 1626a_100102657272_100000184978 [0,1,0,0,0,1|1,0,1]=4 6594 B13R1.15 CNC(=O)COc1cccc(c1)Cl 240690a_100102657272_100000184978 [0,1,0,0,0,1|1,0,1]=4 6595 B13R1.15 CNC(=O)COc1cccc(c1)Cl 34a_100000210295_100000183359 [0,1,0,0,0,1|1,0,1]=4 6596 B13R1.15 CNC(=O)COc1cccc(c1)Cl 527a_100102657272_100000184978 [0,1,0,0,0,1|1,0,1]=4 6597 B13R1.15 CNC(=O)COc1cccc(c1)Cl 7a_100000210295_100000183359 [0,1,0,0,0,1|1,0,1]=4 6598 B13R1.15 CNC(=O)COc1cccc(c1)F 11a_106832991635_100000182781 [0,1,0,0,0,1|1,0,1]=4 6599 B13R1.15 CNC(=O)COc1cccc(c1)F 1626a_100102657272_100000182781 [0,1,0,0,0,1|1,0,1]=4 6600 B13R1.15 CNC(=O)COc1cccc(c1)F 240690a_100102657272_100000182781 [0,1,0,0,0,1|1,0,1]=4 6601 B13R1.15 CNC(=O)COc1cccc(c1)F 34a_100000210426_100000183359 [0,1,0,0,0,1|1,0,1]=4 6602 B13R1.15 CNC(=O)COc1cccc(c1)F 527a_100102657272_100000182781 [0,1,0,0,0,1|1,0,1]=4 6603 B13R1.15 CNC(=O)COc1cccc(c1)F 7a_100000210426_100000183359 [0,1,0,0,0,1|1,0,1]=4 6604 B13R1.15 CNC(=O)COc1cccc(c1)I 34a_100000211634_100000183359 [0,1,0,0,0,1|1,0,1]=4 6605 B13R1.15 CNC(=O)COc1cccc(c1)I 7a_100000211634_100000183359 [0,1,0,0,0,1|1,0,1]=4 6606 B13R1.15 CNC(=O)COc1cccc(c1)N 34a_100000210217_100000183359 [0,1,0,0,0,1|1,0,1]=4 6607 B13R1.15 CNC(=O)COc1cccc(c1)O 271570a_203496583355_200000150594 [0,1,0,0,0,1|1,0,1]=4 6608 B13R1.15 CNC(=O)CSc1cccc(c1)Br 11a_106832991635_100000760868 [0,1,0,0,0,1|1,0,1]=4 6609 B13R1.15 CNC(=O)CSc1cccc(c1)Br 1626a_100102657272_100000760868 [0,1,0,0,0,1|1,0,1]=4 6610 B13R1.15 CNC(=O)CSc1cccc(c1)Br 240690a_100102657272_100000760868 [0,1,0,0,0,1|1,0,1]=4 6611 B13R1.15 CNC(=O)CSc1cccc(c1)Br 527a_100102657272_100000760868 [0,1,0,0,0,1|1,0,1]=4 6612 B13R1.15 CNC(=O)CSc1cccc(c1)Br 62a_100000183359_100000691529 [0,1,0,0,0,1|1,0,1]=4 6613 B13R1.15 CNC(=O)CSc1cccc(c1)Br 62a_100000691529_100000183359 [0,1,0,0,0,1|1,0,1]=4 6614 B13R1.15 CNC(=O)CSc1cccc(c1)C 62a_100000183359_100011215228 [0,1,0,0,0,1|1,0,1]=4 6615 B13R1.15 CNC(=O)CSc1cccc(c1)C 62a_100011215228_100000183359 [0,1,0,0,0,1|1,0,1]=4 6616 B13R1.15 CNC(=O)CSc1cccc(c1)Cl 62a_100000183359_100000699651 [0,1,0,0,0,1|1,0,1]=4 6617 B13R1.15 CNC(=O)CSc1cccc(c1)Cl 62a_100000699651_100000183359 [0,1,0,0,0,1|1,0,1]=4 6618 B13R1.15 CNC(=O)CSc1cccc(c1)F 62a_100000183359_100000685547 [0,1,0,0,0,1|1,0,1]=4 6619 B13R1.15 CNC(=O)CSc1cccc(c1)F 62a_100000685547_100000183359 [0,1,0,0,0,1|1,0,1]=4 6620 B13R1.15 CNC(=O)CSc1cccc(c1)N 62a_100000183359_100000210019 [0,1,0,0,0,1|1,0,1]=4 6621 B13R1.15 CNC(=O)CSc1cccc(c1)N 62a_100000210019_100000183359 [0,1,0,0,0,1|1,0,1]=4 6622 B13R1.15 CNC(=O)CSc1cccc(c1)O 62a_100000183359_100000211634 [0,1,0,0,0,1|1,0,1]=4 6623 B13R1.15 CNC(=O)CSc1cccc(c1)[S] 62a_100000183359_114929384022 [0,1,0,0,0,1|1,0,1]=4 6624 B13R1.15 CNC(=O)CSc1cccc(c1)[S] 62a_114929384022_100000183359 [0,1,0,0,0,1|1,0,1]=4 6625 B13R1.15 CNC(=O)NCc1cccc(c1)Br 2708a_100000174977_106832991635 [0,1,0,0,0,1|1,0,1]=4 6626 B13R1.15 CNC(=O)NCc1cccc(c1)Br 2708a_100102657272_100000174977 [0,1,0,0,0,1|1,0,1]=4 6627 B13R1.15 CNC(=O)NCc1cccc(c1)Br 273464a_100000174977_100102657272 [0,1,0,0,0,1|1,0,1]=4 6628 B13R1.15 CNC(=O)NCc1cccc(c1)Br 273464a_100102657272_100000174977 [0,1,0,0,0,1|1,0,1]=4 6629 B13R1.15 CNC(=O)NCc1cccc(c1)Br 512a_100000174977_100102657272 [0,1,0,0,0,1|1,0,1]=4 6630 B13R1.15 CNC(=O)NCc1cccc(c1)Br 512a_106832991638_100000174977 [0,1,0,0,0,1|1,0,1]=4 6631 B13R1.15 CNC(=O)NCc1cccc(c1)C 2708a_100000185548_106832991635 [0,1,0,0,0,1|1,0,1]=4 6632 B13R1.15 CNC(=O)NCc1cccc(c1)C 2708a_100102657272_100000185548 [0,1,0,0,0,1|1,0,1]=4 6633 B13R1.15 CNC(=O)NCc1cccc(c1)C 273464a_100000185548_100102657272 [0,1,0,0,0,1|1,0,1]=4 6634 B13R1.15 CNC(=O)NCc1cccc(c1)C 273464a_100102657272_100000185548 [0,1,0,0,0,1|1,0,1]=4 6635 B13R1.15 CNC(=O)NCc1cccc(c1)C 512a_100000185548_100102657272 [0,1,0,0,0,1|1,0,1]=4 6636 B13R1.15 CNC(=O)NCc1cccc(c1)C 512a_106832991638_100000185548 [0,1,0,0,0,1|1,0,1]=4 6637 B13R1.15 CNC(=O)NCc1cccc(c1)Cl 2708a_100000174878_106832991635 [0,1,0,0,0,1|1,0,1]=4 6638 B13R1.15 CNC(=O)NCc1cccc(c1)Cl 2708a_100102657272_100000174878 [0,1,0,0,0,1|1,0,1]=4 6639 B13R1.15 CNC(=O)NCc1cccc(c1)Cl 273464a_100000174878_100102657272 [0,1,0,0,0,1|1,0,1]=4 6640 B13R1.15 CNC(=O)NCc1cccc(c1)Cl 273464a_100102657272_100000174878 [0,1,0,0,0,1|1,0,1]=4 6641 B13R1.15 CNC(=O)NCc1cccc(c1)Cl 512a_100000174878_100102657272 [0,1,0,0,0,1|1,0,1]=4 6642 B13R1.15 CNC(=O)NCc1cccc(c1)Cl 512a_106832991638_100000174878 [0,1,0,0,0,1|1,0,1]=4 6643 B13R1.15 CNC(=O)NCc1cccc(c1)F 2708a_100000174948_106832991635 [0,1,0,0,0,1|1,0,1]=4 6644 B13R1.15 CNC(=O)NCc1cccc(c1)F 2708a_100102657272_100000174948 [0,1,0,0,0,1|1,0,1]=4 6645 B13R1.15 CNC(=O)NCc1cccc(c1)F 273464a_100000174948_100102657272 [0,1,0,0,0,1|1,0,1]=4 6646 B13R1.15 CNC(=O)NCc1cccc(c1)F 273464a_100102657272_100000174948 [0,1,0,0,0,1|1,0,1]=4 6647 B13R1.15 CNC(=O)NCc1cccc(c1)F 512a_100000174948_100102657272 [0,1,0,0,0,1|1,0,1]=4 6648 B13R1.15 CNC(=O)NCc1cccc(c1)F 512a_106832991638_100000174948 [0,1,0,0,0,1|1,0,1]=4 6649 B13R1.15 CNC(=O)NCc1cccc(c1)I 2708a_100000106179_106832991635 [0,1,0,0,0,1|1,0,1]=4 6650 B13R1.15 CNC(=O)NCc1cccc(c1)I 2708a_100102657272_100000106179 [0,1,0,0,0,1|1,0,1]=4 6651 B13R1.15 CNC(=O)NCc1cccc(c1)I 273464a_100000106179_100102657272 [0,1,0,0,0,1|1,0,1]=4 6652 B13R1.15 CNC(=O)NCc1cccc(c1)I 273464a_100102657272_100000106179 [0,1,0,0,0,1|1,0,1]=4 6653 B13R1.15 CNC(=O)NCc1cccc(c1)I 512a_100000106179_100102657272 [0,1,0,0,0,1|1,0,1]=4 6654 B13R1.15 CNC(=O)NCc1cccc(c1)I 512a_106832991638_100000106179 [0,1,0,0,0,1|1,0,1]=4 6655 B13R1.15 CNC(=O)NCc1cccc(c1)O 2708a_100000743036_106832991635 [0,1,0,0,0,1|1,0,1]=4 6656 B13R1.15 CNC(=O)NCc1cccc(c1)O 2708a_100102657272_100000743036 [0,1,0,0,0,1|1,0,1]=4 6657 B13R1.15 CNC(=O)NCc1cccc(c1)O 273464a_100000743036_100102657272 [0,1,0,0,0,1|1,0,1]=4 6658 B13R1.15 CNC(=O)NCc1cccc(c1)O 273464a_100102657272_100000743036 [0,1,0,0,0,1|1,0,1]=4 6659 B13R1.15 CNC(=O)NCc1cccc(c1)O 512a_100000743036_100102657272 [0,1,0,0,0,1|1,0,1]=4 6660 B13R1.15 CNC(=O)NCc1cccc(c1)O 512a_106832991638_100000743036 [0,1,0,0,0,1|1,0,1]=4 6661 B13R1.15 CNC(C)CCc1cccc(c1)Br 270004a_106832991635_100011279149 [0,1,0,0,0,1|0,0,0]=2 6662 B13R1.15 CNC(C)CCc1cccc(c1)F 270004a_106832991635_100000743863 [0,1,0,0,0,1|0,0,0]=2 6663 B13R1.15 COC(C)COc1cccc(c1)C 34a_200011219432_200000210301 [0,1,0,0,0,1|1,0,0]=3 6664 B13R1.15 COC(C)COc1cccc(c1)C 7a_200011219432_200000210301 [0,1,0,0,0,1|1,0,0]=3 6665 B13R1.15 COC(C)SCc1cc(ccn1)Br 62a_100009879195_100010173614 [0,1,0,0,0,1|2,0,0]=4 6666 B13R1.15 COC(C)SCc1cc(ccn1)Br 62a_100010173614_100009879195 [0,1,0,0,0,1|2,0,0]=4 6667 B13R1.15 COC(C)SCc1cc(ccn1)C 62a_100000718516_100009879195 [0,1,0,0,0,1|2,0,0]=4 6668 B13R1.15 COC(C)SCc1cc(ccn1)C 62a_100009879195_100000718516 [0,1,0,0,0,1|2,0,0]=4 6669 B13R1.15 COC(C)SCc1cc(ccn1)Cl 62a_100009879195_100016988179 [0,1,0,0,0,1|2,0,0]=4 6670 B13R1.15 COC(C)SCc1cc(ccn1)Cl 62a_100016988179_100009879195 [0,1,0,0,0,1|2,0,0]=4 6671 B13R1.15 COC(C)SCc1cccc(c1)Br 62a_100000211773_100009879195 [0,1,0,0,0,1|1,0,0]=3 6672 B13R1.15 COC(C)SCc1cccc(c1)Br 62a_100009879195_100000211773 [0,1,0,0,0,1|1,0,0]=3 6673 B13R1.15 COC(C)SCc1cccc(c1)C 62a_100000211840_100009879195 [0,1,0,0,0,1|1,0,0]=3 6674 B13R1.15 COC(C)SCc1cccc(c1)C 62a_100009879195_100000211840 [0,1,0,0,0,1|1,0,0]=3 6675 B13R1.15 COC(C)SCc1cccc(c1)Cl 62a_100000187163_100009879195 [0,1,0,0,0,1|1,0,0]=3 6676 B13R1.15 COC(C)SCc1cccc(c1)Cl 62a_100009879195_100000187163 [0,1,0,0,0,1|1,0,0]=3 6677 B13R1.15 COC(C)SCc1cccc(c1)F 62a_100000230114_100009879195 [0,1,0,0,0,1|1,0,0]=3 6678 B13R1.15 COC(C)SCc1cccc(c1)F 62a_100009879195_100000230114 [0,1,0,0,0,1|1,0,0]=3 6679 B13R1.15 COC(C)SCc1cccc(c1)I 62a_100009879195_100011218688 [0,1,0,0,0,1|1,0,0]=3 6680 B13R1.15 COC(C)SCc1cccc(c1)I 62a_100011218688_100009879195 [0,1,0,0,0,1|1,0,0]=3 6681 B13R1.15 COC(C)SCc1cccc(c1)O 62a_100009879195_100011660834 [0,1,0,0,0,1|1,0,0]=3 6682 B13R1.15 COC(C)SCc1cccc(c1)O 62a_100011660834_100009879195 [0,1,0,0,0,1|1,0,0]=3 6683 B13R1.15 COC(C)SCc1cccc(n1)Br 62a_100009879195_100009889011 [0,1,0,0,0,1|2,0,0]=4 6684 B13R1.15 COC(C)SCc1cccc(n1)Br 62a_100009889011_100009879195 [0,1,0,0,0,1|2,0,0]=4 6685 B13R1.15 COC(C)SCc1cccc(n1)C 62a_100000757606_100009879195 [0,1,0,0,0,1|2,0,0]=4 6686 B13R1.15 COC(C)SCc1cccc(n1)C 62a_100009879195_100000757606 [0,1,0,0,0,1|2,0,0]=4 6687 B13R1.15 COC(C)SCc1cccc(n1)Cl 62a_100000086093_100009879195 [0,1,0,0,0,1|2,0,0]=4 6688 B13R1.15 COC(C)SCc1cccc(n1)Cl 62a_100009879195_100000086093 [0,1,0,0,0,1|2,0,0]=4 6689 B13R1.15 COC(C)SCc1cccc(n1)F 62a_100009819644_100009879195 [0,1,0,0,0,1|2,0,0]=4 6690 B13R1.15 COC(C)SCc1cccc(n1)F 62a_100009879195_100009819644 [0,1,0,0,0,1|2,0,0]=4 6691 B13R1.15 COC(C)SCc1ccnc(c1)Br 62a_100009879195_100010243470 [0,1,0,0,0,1|2,0,0]=4 6692 B13R1.15 COC(C)SCc1ccnc(c1)Br 62a_100010254460_100009879195 [0,1,0,0,0,1|2,0,0]=4 6693 B13R1.15 COC(C)SCc1ccnc(c1)C 62a_100009879195_200020672517 [0,1,0,0,0,1|2,0,0]=4 6694 B13R1.15 COC(C)SCc1ccnc(c1)C 62a_200020672517_100009879195 [0,1,0,0,0,1|2,0,0]=4 6695 B13R1.15 COC(C)SCc1ccnc(c1)Cl 62a_100000764220_100009879195 [0,1,0,0,0,1|2,0,0]=4 6696 B13R1.15 COC(C)SCc1ccnc(c1)Cl 62a_100009879195_100000764220 [0,1,0,0,0,1|2,0,0]=4 6697 B13R1.15 COC(C)SCc1cncc(c1)Br 62a_100000738771_100009879195 [0,1,0,0,0,1|2,0,0]=4 6698 B13R1.15 COC(C)SCc1cncc(c1)Br 62a_100009879195_100000738771 [0,1,0,0,0,1|2,0,0]=4 6699 B13R1.15 COC(C)SCc1cncc(c1)C 62a_100000716715_100009879195 [0,1,0,0,0,1|2,0,0]=4 6700 B13R1.15 COC(C)SCc1cncc(c1)C 62a_100009879195_100000716715 [0,1,0,0,0,1|2,0,0]=4 6701 B13R1.15 COC(C)SCc1cncc(c1)Cl 62a_100009879195_100016992070 [0,1,0,0,0,1|2,0,0]=4 6702 B13R1.15 COC(C)SCc1cncc(c1)Cl 62a_100016992070_100009879195 [0,1,0,0,0,1|2,0,0]=4 6703 B13R1.15 COC(C)SCc1cncc(c1)F 62a_100000725299_100009879195 [0,1,0,0,0,1|2,0,0]=4 6704 B13R1.15 COC(C)SCc1cncc(c1)F 62a_100009879195_100000725299 [0,1,0,0,0,1|2,0,0]=4 6705 B13R1.15 CO[C@H](C)CNc1cc(ccn1)F 27a_100020591295_100000764206 [0,1,0,0,0,1|2,0,0]=4 6706 B13R1.15 CO[C@H](C)CNc1cc[nH]c(=O)c1 27a_100020591295_100000061649 [0,1,0,0,0,1|2,0,0]=4 6707 B13R1.15 CO[C@H](C)CNc1cccc(n1)F 27a_100020591295_100009815982 [0,1,0,0,0,1|2,0,0]=4 6708 B13R1.15 CO[C@H](C)CNc1ccnc(c1)C 27a_100020591295_100000758586 [0,1,0,0,0,1|2,0,0]=4 6709 B13R1.15 CO[C@H](C)CNc1ccnc(c1)F 27a_100020591295_100009816116 [0,1,0,0,0,1|2,0,0]=4 6710 B13R1.15 C[C@@H](CO)CNc1cccc(c1)Br 34a_100000210019_100000059175 [0,1,0,0,0,1|2,0,0]=4 6711 B13R1.15 C[C@@H](CO)CNc1cccc(c1)Cl 34a_100000185859_100000059175 [0,1,0,0,0,1|2,0,0]=4 6712 B13R1.15 C[C@@H](CO)CNc1cccc(c1)F 34a_100000210047_100000059175 [0,1,0,0,0,1|2,0,0]=4 6713 B13R1.15 C[C@@H](CO)CNc1cccc(c1)I 34a_100000211102_100000059175 [0,1,0,0,0,1|2,0,0]=4 6714 B13R1.15 C[C@@H](CO)CNc1cccc(c1)O 34a_100000210217_100000059175 [0,1,0,0,0,1|2,0,0]=4 6715 B13R1.15 C[C@@H](CO)COc1cccc(c1)Br 34a_100000210342_100000059175 [0,1,0,0,0,1|2,0,0]=4 6716 B13R1.15 C[C@@H](CO)COc1cccc(c1)Br 7a_100000210342_100000059175 [0,1,0,0,0,1|2,0,0]=4 6717 B13R1.15 C[C@@H](CO)COc1cccc(c1)Cl 34a_100000210295_100000059175 [0,1,0,0,0,1|2,0,0]=4 6718 B13R1.15 C[C@@H](CO)COc1cccc(c1)Cl 7a_100000210295_100000059175 [0,1,0,0,0,1|2,0,0]=4 6719 B13R1.15 C[C@@H](CO)COc1cccc(c1)F 34a_100000210426_100000059175 [0,1,0,0,0,1|2,0,0]=4 6720 B13R1.15 C[C@@H](CO)COc1cccc(c1)F 7a_100000210426_100000059175 [0,1,0,0,0,1|2,0,0]=4 6721 B13R1.15 C[C@@H](CO)COc1cccc(c1)I 34a_100000211634_100000059175 [0,1,0,0,0,1|2,0,0]=4 6722 B13R1.15 C[C@@H](CO)COc1cccc(c1)I 7a_100000211634_100000059175 [0,1,0,0,0,1|2,0,0]=4 6723 B13R1.15 C[C@@H](CO)COc1cccc(c1)N 34a_100000210217_100000059175 [0,1,0,0,0,1|2,0,0]=4 6724 B13R1.15 C[C@@H](CO)CSc1cccc(c1)Br 62a_100000059175_100000691529 [0,1,0,0,0,1|2,0,0]=4 6725 B13R1.15 C[C@@H](CO)CSc1cccc(c1)Br 62a_100000691529_100000059175 [0,1,0,0,0,1|2,0,0]=4 6726 B13R1.15 C[C@@H](CO)CSc1cccc(c1)Cl 62a_100000059175_100000699651 [0,1,0,0,0,1|2,0,0]=4 6727 B13R1.15 C[C@@H](CO)CSc1cccc(c1)Cl 62a_100000699651_100000059175 [0,1,0,0,0,1|2,0,0]=4 6728 B13R1.15 C[C@@H](CO)CSc1cccc(c1)F 62a_100000059175_100000685547 [0,1,0,0,0,1|2,0,0]=4 6729 B13R1.15 C[C@@H](CO)CSc1cccc(c1)F 62a_100000685547_100000059175 [0,1,0,0,0,1|2,0,0]=4 6730 B13R1.15 C[C@@H](CO)CSc1cccc(c1)N 62a_100000059175_100000210019 [0,1,0,0,0,1|2,0,0]=4 6731 B13R1.15 C[C@@H](CO)CSc1cccc(c1)N 62a_100000210019_100000059175 [0,1,0,0,0,1|2,0,0]=4 6732 B13R1.15 C[C@@H](CO)CSc1cccc(c1)O 62a_100000059175_100000211634 [0,1,0,0,0,1|2,0,0]=4 6733 B13R1.15 C[C@@H](CO)CSc1cccc(c1)[S] 62a_100000059175_114929384022 [0,1,0,0,0,1|2,0,0]=4 6734 B13R1.15 C[C@@H](CO)CSc1cccc(c1)[S] 62a_114929384022_100000059175 [0,1,0,0,0,1|2,0,0]=4 6735 B13R1.15 C[C@H](CF)NCc1cccc(c1)Br 207a_100102880703_100000210085 [0,1,0,0,0,1|2,0,0]=4 6736 B13R1.15 C[C@H](CF)NCc1cccc(c1)Br 270004a_100102880703_100000210085 [0,1,0,0,0,1|2,0,0]=4 6737 B13R1.15 C[C@H](CF)NCc1cccc(c1)Cl 207a_100102880703_100000210801 [0,1,0,0,0,1|2,0,0]=4 6738 B13R1.15 C[C@H](CF)NCc1cccc(c1)Cl 270004a_100102880703_100000210801 [0,1,0,0,0,1|2,0,0]=4 6739 B13R1.15 C[C@H](CF)NCc1cccc(c1)F 207a_100102880703_100000210812 [0,1,0,0,0,1|2,0,0]=4 6740 B13R1.15 C[C@H](CF)NCc1cccc(c1)F 270004a_100102880703_100000210812 [0,1,0,0,0,1|2,0,0]=4 6741 B13R1.15 C[C@H](CF)NCc1cccc(c1)I 207a_100102880703_100000014684 [0,1,0,0,0,1|2,0,0]=4 6742 B13R1.15 C[C@H](CF)NCc1cccc(c1)I 270004a_100102880703_100000014684 [0,1,0,0,0,1|2,0,0]=4 6743 B13R1.15 C[C@H](CF)NCc1cccc(c1)O 207a_100102880703_100000188321 [0,1,0,0,0,1|2,0,0]=4 6744 B13R1.15 C[C@H](CF)NCc1cccc(c1)O 270004a_100102880703_100000188321 [0,1,0,0,0,1|2,0,0]=4 6745 B13R1.15 C[C@H](CO)NCc1cccc(c1)Br 207a_100000737577_100000210085 [0,1,0,0,0,1|2,0,0]=4 6746 B13R1.15 C[C@H](CO)NCc1cccc(c1)Br 2230a_100000737577_100000698116 [0,1,0,0,0,1|2,0,0]=4 6747 B13R1.15 C[C@H](CO)NCc1cccc(c1)Br 270004a_100000737577_100000210085 [0,1,0,0,0,1|2,0,0]=4 6748 B13R1.15 C[C@H](CO)NCc1cccc(c1)Cl 207a_100000737577_100000210801 [0,1,0,0,0,1|2,0,0]=4 6749 B13R1.15 C[C@H](CO)NCc1cccc(c1)Cl 2230a_100000737577_100000181238 [0,1,0,0,0,1|2,0,0]=4 6750 B13R1.15 C[C@H](CO)NCc1cccc(c1)Cl 270004a_100000737577_100000210801 [0,1,0,0,0,1|2,0,0]=4 6751 B13R1.15 C[C@H](CO)NCc1cccc(c1)F 207a_100000737577_100000210812 [0,1,0,0,0,1|2,0,0]=4 6752 B13R1.15 C[C@H](CO)NCc1cccc(c1)F 2230a_100000737577_100000230114 [0,1,0,0,0,1|2,0,0]=4 6753 B13R1.15 C[C@H](CO)NCc1cccc(c1)F 270004a_100000737577_100000210812 [0,1,0,0,0,1|2,0,0]=4 6754 B13R1.15 C[C@H](CO)NCc1cccc(c1)I 207a_100000737577_100000014684 [0,1,0,0,0,1|2,0,0]=4 6755 B13R1.15 C[C@H](CO)NCc1cccc(c1)I 2230a_100000737577_100011218688 [0,1,0,0,0,1|2,0,0]=4 6756 B13R1.15 C[C@H](CO)NCc1cccc(c1)I 270004a_100000737577_100000014684 [0,1,0,0,0,1|2,0,0]=4 6757 B13R1.15 C[C@H](CO)NCc1cccc(c1)O 207a_100000737577_100000188321 [0,1,0,0,0,1|2,0,0]=4 6758 B13R1.15 C[C@H](CO)NCc1cccc(c1)O 2230a_100000737577_100011660834 [0,1,0,0,0,1|2,0,0]=4 6759 B13R1.15 C[C@H](CO)NCc1cccc(c1)O 270004a_100000737577_100000188321 [0,1,0,0,0,1|2,0,0]=4 6760 B13R1.15 C[C@H](CO)SCc1cccc(c1)Br 62a_100000211773_100016084084 [0,1,0,0,0,1|2,0,0]=4 6761 B13R1.15 C[C@H](CO)SCc1cccc(c1)Br 62a_100016084084_100000211773 [0,1,0,0,0,1|2,0,0]=4 6762 B13R1.15 C[C@H](CO)SCc1cccc(c1)Cl 62a_100000187163_100016084084 [0,1,0,0,0,1|2,0,0]=4 6763 B13R1.15 C[C@H](CO)SCc1cccc(c1)Cl 62a_100016084084_100000187163 [0,1,0,0,0,1|2,0,0]=4 6764 B13R1.15 C[C@H](CO)SCc1cccc(c1)F 62a_100000230114_100016084084 [0,1,0,0,0,1|2,0,0]=4 6765 B13R1.15 C[C@H](CO)SCc1cccc(c1)F 62a_100016084084_100000230114 [0,1,0,0,0,1|2,0,0]=4 6766 B13R1.15 C[C@H](CO)SCc1cccc(c1)I 62a_100011218688_100016084084 [0,1,0,0,0,1|2,0,0]=4 6767 B13R1.15 C[C@H](CO)SCc1cccc(c1)I 62a_100016084084_100011218688 [0,1,0,0,0,1|2,0,0]=4 6768 B13R1.15 C[C@H](CO)SCc1cccc(c1)O 62a_100011660834_100016084084 [0,1,0,0,0,1|2,0,0]=4 6769 B13R1.15 C[C@H](CO)SCc1cccc(c1)O 62a_100016084084_100011660834 [0,1,0,0,0,1|2,0,0]=4 6770 B13R1.15 Cc1cccc(c1)CNC(C)C#N 2230a_100000185548_100000184139 [0,1,0,0,0,1|2,0,0]=4 6771 B13R1.15 Cc1cccc(c1)CNC(C)C#N 2230a_100000737613_100000211840 [0,1,0,0,0,1|2,0,0]=4 6772 B13R1.15 Cc1cccc(c1)CNC(C)CO 2230a_100000185548_100012180447 [0,1,0,0,0,1|2,0,0]=4 6773 B13R1.15 Cc1cccc(c1)CNC(C)CO 34a_100000185548_100012180447 [0,1,0,0,0,1|2,0,0]=4 6774 B13R1.15 Cc1cccc(c1)CN[C@H](C)CF 207a_100102880703_100000211157 [0,1,0,0,0,1|2,0,0]=4 6775 B13R1.15 Cc1cccc(c1)CN[C@H](C)CF 270004a_100102880703_100000211157 [0,1,0,0,0,1|2,0,0]=4 6776 B13R1.15 Cc1cccc(c1)CN[C@H](C)CO 207a_100000737577_100000211157 [0,1,0,0,0,1|2,0,0]=4 6777 B13R1.15 Cc1cccc(c1)CN[C@H](C)CO 2230a_100000737577_100000211840 [0,1,0,0,0,1|2,0,0]=4 6778 B13R1.15 Cc1cccc(c1)CN[C@H](C)CO 270004a_100000737577_100000211157 [0,1,0,0,0,1|2,0,0]=4 6779 B13R1.15 Cc1cccc(c1)COC(C)C#N 34a_100011218135_100000211840 [0,1,0,0,0,1|2,0,0]=4 6780 B13R1.15 Cc1cccc(c1)COC(C)C#N 7a_100011217746_100000703298 [0,1,0,0,0,1|2,0,0]=4 6781 B13R1.15 Cc1cccc(c1)COC(C)CF 34a_100016041109_100000211840 [0,1,0,0,0,1|2,0,0]=4 6782 B13R1.15 Cc1cccc(c1)COC(C)CF 7a_100016041109_100000211840 [0,1,0,0,0,1|2,0,0]=4 6783 B13R1.15 Cc1cccc(c1)COC(C)CN 34a_100000210904_100000211840 [0,1,0,0,0,1|2,0,0]=4 6784 B13R1.15 Cc1cccc(c1)COC(C)CO 34a_100011217746_100012180447 [0,1,0,0,0,1|2,0,0]=4 6785 B13R1.15 Cc1cccc(c1)COC(C)CO 7a_100011217746_100012180447 [0,1,0,0,0,1|2,0,0]=4 6786 B13R1.15 Cc1cccc(c1)CSC(C)C#N 62a_100000211840_100000703298 [0,1,0,0,0,1|2,0,0]=4 6787 B13R1.15 Cc1cccc(c1)CSC(C)C#N 62a_100000703298_100000211840 [0,1,0,0,0,1|2,0,0]=4 6788 B13R1.15 Cc1cccc(c1)CSC(C)CO 62a_100012180447_100000211840 [0,1,0,0,0,1|2,0,0]=4 6789 B13R1.15 Cc1cccc(c1)CS[C@H](C)CO 62a_100000211840_100016084084 [0,1,0,0,0,1|2,0,0]=4 6790 B13R1.15 Cc1cccc(c1)CS[C@H](C)CO 62a_100016084084_100000211840 [0,1,0,0,0,1|2,0,0]=4 6791 B13R1.15 Cc1cccc(c1)NC[C@@H](C)CO 2230a_100000188690_100000059175 [0,1,0,0,0,1|2,0,0]=4 6792 B13R1.15 Cc1cccc(c1)NC[C@@H](C)CO 34a_100000188690_100000059175 [0,1,0,0,0,1|2,0,0]=4 6793 B13R1.15 Cc1cccc(c1)OCC(C)O[13CH3] 34a_200011219432_200025704644 [0,1,0,0,0,1|1,0,0]=3 6794 B13R1.15 Cc1cccc(c1)OCC(C)O[13CH3] 7a_200011219432_200025704644 [0,1,0,0,0,1|1,0,0]=3 6795 B13R1.15 Cc1cccc(c1)OC[C@@H](C)CO 34a_100000210337_100000059175 [0,1,0,0,0,1|2,0,0]=4 6796 B13R1.15 Cc1cccc(c1)OC[C@@H](C)CO 7a_100000210337_100000059175 [0,1,0,0,0,1|2,0,0]=4 6797 B13R1.15 Cc1cccc(c1)SC[C@@H](C)CO 62a_100000059175_100011215228 [0,1,0,0,0,1|2,0,0]=4 6798 B13R1.15 Cc1cccc(c1)SC[C@@H](C)CO 62a_100011215228_100000059175 [0,1,0,0,0,1|2,0,0]=4 6799 B13R1.42 C#CCC(C)OCc1ccccc1 34a_100000685586_100015291786 [0,1,0,0,0,1|1,0,1]=4 6800 B13R1.42 C#CCC(C)OCc1ccccc1 7a_100000685586_100000211182 [0,1,0,0,0,1|1,0,1]=4 6801 B13R1.42 C/C=C/C(C)OCc1ccccc1 34a_200102604097_100015291786 [0,1,0,0,0,1|1,0,0]=3 6802 B13R1.42 C/C=C/C(C)OCc1ccccn1 34a_200102604097_100000721315 [0,1,0,0,0,1|2,0,0]=4 6803 B13R1.42 C/C=C/C(C)OCc1cccnc1 34a_200102604097_100000733263 [0,1,0,0,0,1|2,0,0]=4 6804 B13R1.42 C=CC[C@@H](C)OCc1ccccc1 34a_100000731007_100015291786 [0,1,0,0,0,1|1,0,1]=4 6805 B13R1.42 C=CC[C@@H](C)OCc1ccccc1 7a_100000731007_100000211182 [0,1,0,0,0,1|1,0,1]=4 6806 B13R1.42 CC#CC(C)OCc1ccccc1 34a_100011216543_100015291786 [0,1,0,0,0,1|1,0,0]=3 6807 B13R1.42 CC#CC(C)OCc1ccccn1 34a_100011216543_100000721315 [0,1,0,0,0,1|2,0,0]=4 6808 B13R1.42 CC#CC(C)OCc1cccnc1 34a_100011216543_100000733263 [0,1,0,0,0,1|2,0,0]=4 6809 B13R1.42 CC(C#Cc1ccccc1)OCF 34a_200000065209_100015361967 [0,1,0,0,0,1|1,0,1]=4 6810 B13R1.42 CC(C#Cc1ccccc1)OCF 7a_200000065209_100015361967 [0,1,0,0,0,1|1,0,1]=4 6811 B13R1.42 CC(CC#N)NCc1ccccc1 2230a_100015324214_100009813641 [0,1,0,0,0,1|1,0,1]=4 6812 B13R1.42 CC(CC#N)OCc1ccccc1 7a_100000210790_100009813641 [0,1,0,0,0,1|1,0,1]=4 6813 B13R1.42 CC(CC#N)SCc1ccccc1 62a_100000211182_100009813641 [0,1,0,0,0,1|1,0,1]=4 6814 B13R1.42 CC(CC#N)SCc1ccccc1 62a_100009813641_100015291786 [0,1,0,0,0,1|1,0,1]=4 6815 B13R1.42 CC(CCBr)OCc1ccccc1 34a_100012276601_100015291786 [0,1,0,0,0,1|1,0,0]=3 6816 B13R1.42 CC(CCBr)OCc1ccccn1 34a_100012276601_100000721315 [0,1,0,0,0,1|2,0,0]=4 6817 B13R1.42 CC(CCBr)OCc1cccnc1 34a_100012276601_100000733263 [0,1,0,0,0,1|2,0,0]=4 6818 B13R1.42 CC(CCO)NCc1ccccc1 2230a_100015324214_100009893172 [0,1,0,0,0,1|1,0,0]=3 6819 B13R1.42 CC(CCO)NCc1ccccc1 34a_100015324214_100009893172 [0,1,0,0,0,1|1,0,0]=3 6820 B13R1.42 CC(CCO)OCc1ccccc1 34a_100000210790_100009893172 [0,1,0,0,0,1|1,0,0]=3 6821 B13R1.42 CC(CCO)OCc1ccccc1 7a_100000210790_100009893172 [0,1,0,0,0,1|1,0,0]=3 6822 B13R1.42 CC(CCO)SCc1ccccc1 62a_100000211182_100009893172 [0,1,0,0,0,1|1,0,0]=3 6823 B13R1.42 CC(CCO)SCc1ccccc1 62a_100009893172_100015291786 [0,1,0,0,0,1|1,0,0]=3 6824 B13R1.42 CC(CCO)SCc1ccccn1 62a_100000721315_100009893172 [0,1,0,0,0,1|2,0,0]=4 6825 B13R1.42 CC(CCO)SCc1ccccn1 62a_100009893172_100000721315 [0,1,0,0,0,1|2,0,0]=4 6826 B13R1.42 CC(CCO)SCc1cccnc1 62a_100000741622_100009893172 [0,1,0,0,0,1|2,0,0]=4 6827 B13R1.42 CC(CCO)SCc1cccnc1 62a_100009893172_100000741622 [0,1,0,0,0,1|2,0,0]=4 6828 B13R1.42 CC(CCO)SCc1ccncc1 62a_100009893172_100015193705 [0,1,0,0,0,1|2,0,0]=4 6829 B13R1.42 CC(CCO)SCc1ccncc1 62a_100015193705_100009893172 [0,1,0,0,0,1|2,0,0]=4 6830 B13R1.42 CC(CCc1ccccc1)NCF 34a_100000210798_100015361967 [0,1,0,0,0,1|0,0,0]=2 6831 B13R1.42 CC(COc1ccccc1)NCF 34a_100000746794_100015361967 [0,1,0,0,0,1|0,0,0]=2 6832 B13R1.42 CC(COc1ccccc1)OCF 34a_100000210911_100015361967 [0,1,0,0,0,1|1,0,0]=3 6833 B13R1.42 CC(COc1ccccc1)OCF 7a_100000210911_100015361967 [0,1,0,0,0,1|1,0,0]=3 6834 B13R1.42 CCCC(C)CNc1ccccc1 34a_100000106764_100011216630 [0,1,0,0,0,1|1,0,0]=3 6835 B13R1.42 CCCC(C)COc1ccccc1 34a_100000210340_100011216630 [0,1,0,0,0,1|1,0,0]=3 6836 B13R1.42 CCCC(C)COc1ccccc1 7a_100000210340_100011216630 [0,1,0,0,0,1|1,0,0]=3 6837 B13R1.42 CCCC(C)COc1cccnc1 34a_100000210849_100011216630 [0,1,0,0,0,1|2,0,0]=4 6838 B13R1.42 CCCC(C)COc1cccnc1 7a_100000210849_100011216630 [0,1,0,0,0,1|2,0,0]=4 6839 B13R1.42 CCCC(C)COc1ccncc1 34a_100000212176_100011216630 [0,1,0,0,0,1|2,0,0]=4 6840 B13R1.42 CCCC(C)CSc1ccccc1 62a_100000719477_100011216630 [0,1,0,0,0,1|1,0,0]=3 6841 B13R1.42 CCCC(C)CSc1ccccc1 62a_100011216630_100000041952 [0,1,0,0,0,1|1,0,0]=3 6842 B13R1.42 CCCC(C)CSc1ccccn1 62a_100011216584_100011216630 [0,1,0,0,0,1|2,0,0]=4 6843 B13R1.42 CCCC(C)CSc1ccccn1 62a_100011216630_100011216584 [0,1,0,0,0,1|2,0,0]=4 6844 B13R1.42 CCCC(C)CSc1cccnc1 62a_100000210063_100011216630 [0,1,0,0,0,1|2,0,0]=4 6845 B13R1.42 CCCC(C)CSc1cccnc1 62a_100011216630_100000210063 [0,1,0,0,0,1|2,0,0]=4 6846 B13R1.42 CCCC(C)CSc1ccncc1 62a_100000728582_100011216630 [0,1,0,0,0,1|2,0,0]=4 6847 B13R1.42 CCCC(C)CSc1ccncc1 62a_100011216630_100000728582 [0,1,0,0,0,1|2,0,0]=4 6848 B13R1.42 CCCC(C)NCc1ccccc1 207a_100000741246_100015611070 [0,1,0,0,0,1|1,0,0]=3 6849 B13R1.42 CCCC(C)NCc1ccccc1 2230a_100000741246_100015291786 [0,1,0,0,0,1|1,0,0]=3 6850 B13R1.42 CCCC(C)NCc1ccccc1 2230a_100015324214_100000766640 [0,1,0,0,0,1|1,0,0]=3 6851 B13R1.42 CCCC(C)NCc1ccccc1 270004a_100000741246_100015611070 [0,1,0,0,0,1|1,0,0]=3 6852 B13R1.42 CCCC(C)NCc1ccccc1 270004a_100015324214_100000211909 [0,1,0,0,0,1|1,0,0]=3 6853 B13R1.42 CCCC(C)NCc1ccccc1 34a_100015324214_100000766640 [0,1,0,0,0,1|1,0,0]=3 6854 B13R1.42 CCCC(C)NCc1ccccn1 207a_100000741246_100000209966 [0,1,0,0,0,1|2,0,0]=4 6855 B13R1.42 CCCC(C)NCc1ccccn1 2230a_100000741246_100000721315 [0,1,0,0,0,1|2,0,0]=4 6856 B13R1.42 CCCC(C)NCc1ccccn1 270004a_100000210449_100000211909 [0,1,0,0,0,1|2,0,0]=4 6857 B13R1.42 CCCC(C)NCc1ccccn1 270004a_100000741246_100000209966 [0,1,0,0,0,1|2,0,0]=4 6858 B13R1.42 CCCC(C)NCc1cccnc1 207a_100000741246_100000209961 [0,1,0,0,0,1|2,0,0]=4 6859 B13R1.42 CCCC(C)NCc1cccnc1 2230a_100000741246_100000741622 [0,1,0,0,0,1|2,0,0]=4 6860 B13R1.42 CCCC(C)NCc1cccnc1 270004a_100000210453_100000211909 [0,1,0,0,0,1|2,0,0]=4 6861 B13R1.42 CCCC(C)NCc1cccnc1 270004a_100000741246_100000209961 [0,1,0,0,0,1|2,0,0]=4 6862 B13R1.42 CCCC(C)NCc1ccncc1 207a_100000741246_100000186114 [0,1,0,0,0,1|2,0,0]=4 6863 B13R1.42 CCCC(C)NCc1ccncc1 2230a_100000741246_100015193705 [0,1,0,0,0,1|2,0,0]=4 6864 B13R1.42 CCCC(C)OCc1ccccc1 34a_100000210790_100000766640 [0,1,0,0,0,1|1,0,0]=3 6865 B13R1.42 CCCC(C)OCc1ccccc1 34a_100000764384_100015291786 [0,1,0,0,0,1|1,0,0]=3 6866 B13R1.42 CCCC(C)OCc1ccccc1 7a_100000210790_100000766640 [0,1,0,0,0,1|1,0,0]=3 6867 B13R1.42 CCCC(C)OCc1ccccc1 7a_100000764384_100000211182 [0,1,0,0,0,1|1,0,0]=3 6868 B13R1.42 CCCC(C)OCc1ccccn1 34a_100000764384_100000721315 [0,1,0,0,0,1|2,0,0]=4 6869 B13R1.42 CCCC(C)OCc1ccccn1 7a_100000764384_100000721315 [0,1,0,0,0,1|2,0,0]=4 6870 B13R1.42 CCCC(C)OCc1cccnc1 34a_100000764384_100000733263 [0,1,0,0,0,1|2,0,0]=4 6871 B13R1.42 CCCC(C)OCc1cccnc1 7a_100000764384_100000741622 [0,1,0,0,0,1|2,0,0]=4 6872 B13R1.42 CCCC(C)OCc1ccncc1 7a_100000764384_100015193705 [0,1,0,0,0,1|2,0,0]=4 6873 B13R1.42 CCCC(C)SCc1ccccc1 62a_100000211182_100000766640 [0,1,0,0,0,1|1,0,0]=3 6874 B13R1.42 CCCC(C)SCc1ccccc1 62a_100000766640_100015291786 [0,1,0,0,0,1|1,0,0]=3 6875 B13R1.42 CCCC(C)SCc1ccccn1 62a_100000721315_100000766640 [0,1,0,0,0,1|2,0,0]=4 6876 B13R1.42 CCCC(C)SCc1ccccn1 62a_100000766640_100000721315 [0,1,0,0,0,1|2,0,0]=4 6877 B13R1.42 CCCC(C)SCc1cccnc1 62a_100000741622_100000766640 [0,1,0,0,0,1|2,0,0]=4 6878 B13R1.42 CCCC(C)SCc1cccnc1 62a_100000766640_100000741622 [0,1,0,0,0,1|2,0,0]=4 6879 B13R1.42 CCCC(C)SCc1ccncc1 62a_100000766640_100015193705 [0,1,0,0,0,1|2,0,0]=4 6880 B13R1.42 CCCC(C)SCc1ccncc1 62a_100015193705_100000766640 [0,1,0,0,0,1|2,0,0]=4 6881 B13R1.42 CCCN(C)CCc1ccccc1 2230a_100000207497_100000210303 [0,1,0,0,0,1|2,0,0]=4 6882 B13R1.42 CCCN(C)CCc1ccccc1 2230a_100000747261_100000765856 [0,1,0,0,0,1|2,0,0]=4 6883 B13R1.42 CCCN(C)CCc1ccccc1 269982a_100000207497_100000210303 [0,1,0,0,0,1|2,0,0]=4 6884 B13R1.42 CCCN(C)CCc1ccccc1 269982a_100000747261_100000765856 [0,1,0,0,0,1|2,0,0]=4 6885 B13R1.42 CCCN(C)CSc1ccccc1 2230a_100000747261_100011218342 [0,1,0,0,0,1|2,0,0]=4 6886 B13R1.42 CCCN(C)CSc1ccccc1 269982a_100000747261_100011218342 [0,1,0,0,0,1|2,0,0]=4 6887 B13R1.42 CCNC(=O)CCc1ccccc1 11a_100015525214_100000185753 [0,1,0,0,0,1|1,0,1]=4 6888 B13R1.42 CCNC(=O)CCc1ccccc1 240690a_100015525214_100000185753 [0,1,0,0,0,1|1,0,1]=4 6889 B13R1.42 CCNC(=O)CCc1ccccc1 527a_100015525214_100000185753 [0,1,0,0,0,1|1,0,1]=4 6890 B13R1.42 CCNC(=O)CNc1ccccc1 34a_100000106764_100000183381 [0,1,0,0,0,1|1,0,1]=4 6891 B13R1.42 CCNC(=O)COc1ccccc1 11a_100015525214_100000186222 [0,1,0,0,0,1|1,0,1]=4 6892 B13R1.42 CCNC(=O)COc1ccccc1 240690a_100015525214_100000186222 [0,1,0,0,0,1|1,0,1]=4 6893 B13R1.42 CCNC(=O)COc1ccccc1 34a_100000210340_100000183381 [0,1,0,0,0,1|1,0,1]=4 6894 B13R1.42 CCNC(=O)COc1ccccc1 527a_100015525214_100000186222 [0,1,0,0,0,1|1,0,1]=4 6895 B13R1.42 CCNC(=O)COc1ccccc1 7a_100000210340_100000183381 [0,1,0,0,0,1|1,0,1]=4 6896 B13R1.42 CCNC(=O)CSc1ccccc1 11a_100015525214_100000211596 [0,1,0,0,0,1|1,0,1]=4 6897 B13R1.42 CCNC(=O)CSc1ccccc1 240690a_100015525214_100000211596 [0,1,0,0,0,1|1,0,1]=4 6898 B13R1.42 CCNC(=O)CSc1ccccc1 527a_100015525214_100000211596 [0,1,0,0,0,1|1,0,1]=4 6899 B13R1.42 CCNC(=O)CSc1ccccc1 62a_100000183381_100000041952 [0,1,0,0,0,1|1,0,1]=4 6900 B13R1.42 CCNC(=O)CSc1ccccc1 62a_100000719477_100000183381 [0,1,0,0,0,1|1,0,1]=4 6901 B13R1.42 CCNC(=O)NCc1ccccc1 2708a_100015324214_100015525214 [0,1,0,0,0,1|1,0,1]=4 6902 B13R1.42 CCNC(=O)NCc1ccccc1 2708a_100015525214_100015324214 [0,1,0,0,0,1|1,0,1]=4 6903 B13R1.42 CCNC(=O)NCc1ccccc1 273464a_100015324214_100015525214 [0,1,0,0,0,1|1,0,1]=4 6904 B13R1.42 CCNC(=O)NCc1ccccc1 273464a_100015525214_100015324214 [0,1,0,0,0,1|1,0,1]=4 6905 B13R1.42 CCNC(=O)NCc1ccccc1 512a_100015324214_100015525214 [0,1,0,0,0,1|1,0,1]=4 6906 B13R1.42 CCNC(=O)NCc1ccccc1 512a_100015525214_100015324214 [0,1,0,0,0,1|1,0,1]=4 6907 B13R1.42 CCNC(C)CCc1ccccc1 2230a_100000210798_100000210202 [0,1,0,0,0,1|0,0,0]=2 6908 B13R1.42 CCNC(C)CCc1ccccc1 270004a_100015525214_100000210092 [0,1,0,0,0,1|0,0,0]=2 6909 B13R1.42 CCNC(C)CCc1ccccc1 34a_100000210798_100000210202 [0,1,0,0,0,1|0,0,0]=2 6910 B13R1.42 CCNC(C)COc1ccccc1 2230a_100000746794_100000210202 [0,1,0,0,0,1|0,0,0]=2 6911 B13R1.42 CCNC(C)COc1ccccc1 270004a_100015525214_100000150576 [0,1,0,0,0,1|0,0,0]=2 6912 B13R1.42 CCNC(C)COc1ccccc1 34a_100000746794_100000210202 [0,1,0,0,0,1|0,0,0]=2 6913 B13R1.42 CCNC(C)CSc1ccccc1 270004a_100015525214_100000150717 [0,1,0,0,0,1|0,0,0]=2 6914 B13R1.42 CCOC(C)C#Cc1ccccc1 34a_200000065209_100000210202 [0,1,0,0,0,1|1,0,1]=4 6915 B13R1.42 CCOC(C)C#Cc1ccccc1 7a_200000065209_100000210202 [0,1,0,0,0,1|1,0,1]=4 6916 B13R1.42 CCOC(C)COc1ccccc1 34a_100000210911_100000210202 [0,1,0,0,0,1|1,0,0]=3 6917 B13R1.42 CCOC(C)COc1ccccc1 7a_100000210911_100000210202 [0,1,0,0,0,1|1,0,0]=3 6918 B13R1.42 CCO[C@@H](C)CCc1ccccc1 34a_100009815974_100000210202 [0,1,0,0,0,1|1,0,0]=3 6919 B13R1.42 CCO[C@@H](C)CCc1ccccc1 7a_100009815974_100000210202 [0,1,0,0,0,1|1,0,0]=3 6920 B13R1.42 CN(CCF)CCc1ccccc1 2230a_100000207497_100011217306 [0,1,0,0,0,1|2,0,0]=4 6921 B13R1.42 CN(CCF)CCc1ccccc1 269982a_100000207497_100011217306 [0,1,0,0,0,1|2,0,0]=4 6922 B13R1.42 CN(CCO)CCc1ccccc1 2230a_100000207497_100000211926 [0,1,0,0,0,1|2,0,0]=4 6923 B13R1.42 CN(CCO)CCc1ccccc1 2230a_100000210263_100000765856 [0,1,0,0,0,1|2,0,0]=4 6924 B13R1.42 CN(CCO)CCc1ccccc1 269982a_100000207497_100000211926 [0,1,0,0,0,1|2,0,0]=4 6925 B13R1.42 CN(CCO)CCc1ccccc1 269982a_100000210263_100000765856 [0,1,0,0,0,1|2,0,0]=4 6926 B13R1.42 CN(CCO)CSc1ccccc1 2230a_100000210263_100011218342 [0,1,0,0,0,1|2,0,0]=4 6927 B13R1.42 CN(CCO)CSc1ccccc1 269982a_100000210263_100011218342 [0,1,0,0,0,1|2,0,0]=4 6928 B13R1.42 CNCC(=O)CCc1ccccc1 2230a_106832991635_100012361361 [0,1,0,0,0,1|1,0,1]=4 6929 B13R1.42 CNCC(=O)CCc1ccccc1 34a_100102657272_100012361361 [0,1,0,0,0,1|1,0,1]=4 6930 B13R1.42 CNCC(=O)CCc1ccccc1 7a_106832991635_100012361361 [0,1,0,0,0,1|1,0,1]=4 6931 B13R1.42 CNCC(=O)NCc1ccccc1 2230a_100000739245_200000210301 [0,1,0,0,0,1|1,0,1]=4 6932 B13R1.42 CNCC(=O)NCc1ccccc1 2230a_106832991635_100000183539 [0,1,0,0,0,1|1,0,1]=4 6933 B13R1.42 CNCC(=O)NCc1ccccc1 34a_100102657272_100000183539 [0,1,0,0,0,1|1,0,1]=4 6934 B13R1.42 CNCC(=O)NCc1ccccc1 7a_106832991635_100000183539 [0,1,0,0,0,1|1,0,1]=4 6935 B13R1.42 CNCC(=O)OCc1ccccc1 2230a_106832991635_100000753625 [0,1,0,0,0,1|1,0,1]=4 6936 B13R1.42 CNCC(=O)OCc1ccccc1 34a_100102657272_100000753625 [0,1,0,0,0,1|1,0,1]=4 6937 B13R1.42 CNCC(=O)OCc1ccccc1 7a_106832991635_100000753625 [0,1,0,0,0,1|1,0,1]=4 6938 B13R1.42 CNCC(O)COc1ccccc1 2230a_100000738913_200000210301 [0,1,0,0,0,1|1,0,0]=3 6939 B13R1.42 CNCC(O)COc1ccccc1 34a_100000738913_200000210301 [0,1,0,0,0,1|1,0,0]=3 6940 B13R1.42 CNNC(=O)CCc1ccccc1 22a_100016993582_100000185753 [0,1,0,0,0,1|1,0,1]=4 6941 B13R1.42 CNNC(=O)COc1ccccc1 22a_100016993582_100000186222 [0,1,0,0,0,1|1,0,1]=4 6942 B13R1.42 CNNC(=O)CSc1ccccc1 22a_100016993582_100000211596 [0,1,0,0,0,1|1,0,1]=4 6943 B13R1.42 CNNC(=O)NCc1ccccc1 273464a_100015324214_100016993582 [0,1,0,0,0,1|1,0,1]=4 6944 B13R1.42 CNNC(=O)NCc1ccccc1 512a_100015324214_100016993582 [0,1,0,0,0,1|1,0,1]=4 6945 B13R1.42 CNNC(=O)NCc1ccccc1 512a_100016993582_100015324214 [0,1,0,0,0,1|1,0,1]=4 6946 B13R1.42 COCC(C)NCc1ccccc1 2230a_100015324214_100000765312 [0,1,0,0,0,1|1,0,0]=3 6947 B13R1.42 COCC(C)NCc1ccccc1 270004a_100015324214_100000749346 [0,1,0,0,0,1|1,0,0]=3 6948 B13R1.42 COCC(C)NCc1ccccc1 34a_100015324214_100000765312 [0,1,0,0,0,1|1,0,0]=3 6949 B13R1.42 COCC(C)NCc1ccccn1 270004a_100000210449_100000749346 [0,1,0,0,0,1|2,0,0]=4 6950 B13R1.42 COCC(C)NCc1cccnc1 270004a_100000210453_100000749346 [0,1,0,0,0,1|2,0,0]=4 6951 B13R1.42 COCC(C)OCc1ccccc1 34a_100000210790_100000765312 [0,1,0,0,0,1|1,0,0]=3 6952 B13R1.42 COCC(C)OCc1ccccc1 7a_100000210790_100000765312 [0,1,0,0,0,1|1,0,0]=3 6953 B13R1.42 COCC(C)SCc1ccccc1 62a_100000211182_100000765312 [0,1,0,0,0,1|1,0,0]=3 6954 B13R1.42 COCC(C)SCc1ccccc1 62a_100000765312_100015291786 [0,1,0,0,0,1|1,0,0]=3 6955 B13R1.42 COCC(C)SCc1ccccn1 62a_100000721315_100000765312 [0,1,0,0,0,1|2,0,0]=4 6956 B13R1.42 COCC(C)SCc1ccccn1 62a_100000765312_100000721315 [0,1,0,0,0,1|2,0,0]=4 6957 B13R1.42 COCC(C)SCc1cccnc1 62a_100000741622_100000765312 [0,1,0,0,0,1|2,0,0]=4 6958 B13R1.42 COCC(C)SCc1cccnc1 62a_100000765312_100000741622 [0,1,0,0,0,1|2,0,0]=4 6959 B13R1.42 COCC(C)SCc1ccncc1 62a_100000765312_100015193705 [0,1,0,0,0,1|2,0,0]=4 6960 B13R1.42 COCC(C)SCc1ccncc1 62a_100015193705_100000765312 [0,1,0,0,0,1|2,0,0]=4 6961 B13R1.42 COCC(O)CNc1ccccc1 34a_100000106764_100011215053 [0,1,0,0,0,1|2,0,0]=4 6962 B13R1.42 COCC(O)COc1ccccc1 34a_100000210340_100011215053 [0,1,0,0,0,1|2,0,0]=4 6963 B13R1.42 COCC(O)COc1ccccc1 7a_100000210340_100011215053 [0,1,0,0,0,1|2,0,0]=4 6964 B13R1.42 COCC(O)CSc1ccccc1 62a_100000719477_100011215053 [0,1,0,0,0,1|2,0,0]=4 6965 B13R1.42 COCC(O)CSc1ccccc1 62a_100011215053_100000041952 [0,1,0,0,0,1|2,0,0]=4 6966 B13R1.42 COCN(C)CCc1ccccc1 2230a_100000207497_100000766300 [0,1,0,0,0,1|2,0,0]=4 6967 B13R1.42 COCN(C)CCc1ccccc1 269982a_100000207497_100000766300 [0,1,0,0,0,1|2,0,0]=4 6968 B13R1.42 COC[C@@H](C)NCc1ccccc1 207a_100000764878_100015611070 [0,1,0,0,0,1|1,0,0]=3 6969 B13R1.42 COC[C@@H](C)NCc1ccccc1 2230a_100000764878_100015291786 [0,1,0,0,0,1|1,0,0]=3 6970 B13R1.42 COC[C@@H](C)NCc1ccccc1 270004a_100000764878_100015611070 [0,1,0,0,0,1|1,0,0]=3 6971 B13R1.42 COC[C@@H](C)NCc1ccccc1 34a_100000762708_200000210301 [0,1,0,0,0,1|1,0,0]=3 6972 B13R1.42 COC[C@@H](C)NCc1ccccn1 207a_100000764878_100000209966 [0,1,0,0,0,1|2,0,0]=4 6973 B13R1.42 COC[C@@H](C)NCc1ccccn1 2230a_100000764878_100000721315 [0,1,0,0,0,1|2,0,0]=4 6974 B13R1.42 COC[C@@H](C)NCc1ccccn1 270004a_100000764878_100000209966 [0,1,0,0,0,1|2,0,0]=4 6975 B13R1.42 COC[C@@H](C)NCc1cccnc1 207a_100000764878_100000209961 [0,1,0,0,0,1|2,0,0]=4 6976 B13R1.42 COC[C@@H](C)NCc1cccnc1 2230a_100000764878_100000741622 [0,1,0,0,0,1|2,0,0]=4 6977 B13R1.42 COC[C@@H](C)NCc1cccnc1 270004a_100000764878_100000209961 [0,1,0,0,0,1|2,0,0]=4 6978 B13R1.42 COC[C@@H](C)NCc1ccncc1 207a_100000764878_100000186114 [0,1,0,0,0,1|2,0,0]=4 6979 B13R1.42 COC[C@@H](C)NCc1ccncc1 2230a_100000764878_100015193705 [0,1,0,0,0,1|2,0,0]=4 6980 B13R1.42 COC[C@@H](C)OCc1ccccc1 34a_100011934205_100015291786 [0,1,0,0,0,1|1,0,0]=3 6981 B13R1.42 COC[C@@H](C)OCc1ccccn1 34a_100011934205_100000721315 [0,1,0,0,0,1|2,0,0]=4 6982 B13R1.42 COC[C@@H](C)OCc1cccnc1 34a_100011934205_100000733263 [0,1,0,0,0,1|2,0,0]=4 6983 B13R1.42 CSCC(C)NCc1ccccc1 270004a_100015324214_100011216314 [0,1,0,0,0,1|1,0,0]=3 6984 B13R1.42 CSCC(C)NCc1ccccn1 270004a_100000210449_100011216314 [0,1,0,0,0,1|2,0,0]=4 6985 B13R1.42 CSCC(C)NCc1cccnc1 270004a_100000210453_100011216314 [0,1,0,0,0,1|2,0,0]=4 6986 B13R1.42 CSCN(C)CCc1ccccc1 2230a_100000207497_100011218213 [0,1,0,0,0,1|2,0,0]=4 6987 B13R1.42 CSCN(C)CCc1ccccc1 269982a_100000207497_100011218213 [0,1,0,0,0,1|2,0,0]=4 6988 B13R1.42 C[C@@H](CC#N)NCc1ccccc1 207a_100016994482_100015611070 [0,1,0,0,0,1|1,0,1]=4 6989 B13R1.42 C[C@@H](CC#N)NCc1ccccc1 2230a_100016994482_100015291786 [0,1,0,0,0,1|1,0,1]=4 6990 B13R1.42 C[C@@H](CCc1ccccc1)OCF 34a_100009815974_100015361967 [0,1,0,0,0,1|1,0,0]=3 6991 B13R1.42 C[C@@H](CCc1ccccc1)OCF 7a_100009815974_100015361967 [0,1,0,0,0,1|1,0,0]=3 6992 B13R1.42 C[C@H](CCO)NCc1ccccc1 207a_100000706166_100015611070 [0,1,0,0,0,1|1,0,0]=3 6993 B13R1.42 C[C@H](CCO)NCc1ccccc1 2230a_100000706166_100015291786 [0,1,0,0,0,1|1,0,0]=3 6994 B13R1.42 C[C@H](CCO)NCc1ccccc1 270004a_100000706166_100015611070 [0,1,0,0,0,1|1,0,0]=3 6995 B13R1.42 C[C@H](CCO)NCc1ccccc1 34a_100000706166_100015291786 [0,1,0,0,0,1|1,0,0]=3 6996 B13R1.42 C[C@H](CCO)NCc1ccccn1 207a_100000706166_100000209966 [0,1,0,0,0,1|2,0,0]=4 6997 B13R1.42 C[C@H](CCO)NCc1ccccn1 2230a_100000706166_100000721315 [0,1,0,0,0,1|2,0,0]=4 6998 B13R1.42 C[C@H](CCO)NCc1ccccn1 270004a_100000706166_100000209966 [0,1,0,0,0,1|2,0,0]=4 6999 B13R1.42 C[C@H](CCO)NCc1ccccn1 34a_100000706166_100000721315 [0,1,0,0,0,1|2,0,0]=4 7000 B13R1.42 C[C@H](CCO)NCc1cccnc1 207a_100000706166_100000209961 [0,1,0,0,0,1|2,0,0]=4 7001 B13R1.42 C[C@H](CCO)NCc1cccnc1 2230a_100000706166_100000741622 [0,1,0,0,0,1|2,0,0]=4 7002 B13R1.42 C[C@H](CCO)NCc1cccnc1 270004a_100000706166_100000209961 [0,1,0,0,0,1|2,0,0]=4 7003 B13R1.42 C[C@H](CCO)NCc1cccnc1 34a_100000706166_100000733263 [0,1,0,0,0,1|2,0,0]=4 7004 B13R1.42 C[C@H](CCO)NCc1ccncc1 207a_100000706166_100000186114 [0,1,0,0,0,1|2,0,0]=4 7005 B13R1.42 C[C@H](CCO)NCc1ccncc1 2230a_100000706166_100015193705 [0,1,0,0,0,1|2,0,0]=4 7006 B13R1.42 C[C@H](CO[13CH3])NCc1ccccc1 34a_100000762708_200025704644 [0,1,0,0,0,1|1,0,0]=3 7007 B13R1.42 O=C(CNc1ccccc1)NCO 34a_100000106764_100000185155 [0,1,0,0,0,1|1,0,1]=4 7008 B13R1.42 O=C(COc1ccccc1)NCO 34a_100000210340_100000185155 [0,1,0,0,0,1|1,0,1]=4 7009 B13R1.42 O=C(COc1ccccc1)NCO 7a_100000210340_100000185155 [0,1,0,0,0,1|1,0,1]=4 7010 B13R1.42 O=C(CSc1ccccc1)NCO 62a_100000185155_100000041952 [0,1,0,0,0,1|1,0,1]=4 7011 B13R1.42 O=C(CSc1ccccc1)NCO 62a_100000719477_100000185155 [0,1,0,0,0,1|1,0,1]=4 7012 B13R1.42 [13CH3]NCC(=O)NCc1ccccc1 2230a_100000739245_200025704644 [0,1,0,0,0,1|1,0,1]=4 7013 B13R1.42 [13CH3]NCC(O)COc1ccccc1 2230a_100000738913_200025704644 [0,1,0,0,0,1|1,0,0]=3 7014 B13R1.42 [13CH3]NCC(O)COc1ccccc1 34a_100000738913_200025704644 [0,1,0,0,0,1|1,0,0]=3 7015 B13R1.135 C/C=C(\C)/C(=O)Cc1ccccc1 1458a_100020587367_100015291786 [0,1,0,0,0,1|1,0,1]=4 7016 B13R1.135 C=C(Cc1ccccc1)C(=O)NC 11a_106832991635_100000066491 [0,1,0,0,0,1|1,0,1]=4 7017 B13R1.135 C=C(Cc1ccccc1)C(=O)NC 1626a_100102657272_100000066491 [0,1,0,0,0,1|1,0,1]=4 7018 B13R1.135 C=CC(C)C(=O)Cc1ccccc1 1458a_100011216780_100015291786 [0,1,0,0,0,1|1,0,1]=4 7019 B13R1.135 C=CC(C)N(C)Cc1ccccc1 269982a_100000186898_100011215867 [0,1,0,0,0,1|1,0,1]=4 7020 B13R1.135 CC(C#N)C(=O)Cc1ccccc1 1458a_100000753662_100015291786 [0,1,0,0,0,1|2,0,0]=4 7021 B13R1.135 CC(C#N)N(C)Cc1ccccc1 2230a_100000186898_100000184139 [0,1,0,0,0,1|2,0,0]=4 7022 B13R1.135 CC(C#N)N(C)Cc1ccccc1 269982a_100000186898_100000703298 [0,1,0,0,0,1|2,0,0]=4 7023 B13R1.135 CC(C#N)N(C)Cc1ccccc1 270004a_100000745055_100015611070 [0,1,0,0,0,1|2,0,0]=4 7024 B13R1.135 CC(CO)N(C)Cc1ccccc1 2230a_100000186898_100012180447 [0,1,0,0,0,1|2,0,0]=4 7025 B13R1.135 CC(CO)N(C)Cc1ccccc1 2230a_100000693034_100015291786 [0,1,0,0,0,1|2,0,0]=4 7026 B13R1.135 CC(CO)N(C)Cc1ccccc1 269982a_100000693034_100000211182 [0,1,0,0,0,1|2,0,0]=4 7027 B13R1.135 CC(CO)N(C)Cc1ccccc1 270004a_100000693034_100015611070 [0,1,0,0,0,1|2,0,0]=4 7028 B13R1.135 CC(N[13CH3])C(=O)Nc1ccccc1 2230a_100000754830_200025704644 [0,1,0,0,0,1|0,0,1]=3 7029 B13R1.135 CC(N[13CH3])C(=O)Nc1ccccc1 34a_100000754830_200025704644 [0,1,0,0,0,1|0,0,1]=3 7030 B13R1.135 CC(S[13CH3])C(=O)Nc1ccccc1 62a_100000183986_200025704644 [0,1,0,0,0,1|1,0,1]=4 7031 B13R1.135 CC(S[13CH3])C(=O)Nc1ccccc1 62a_200025704644_100000183986 [0,1,0,0,0,1|1,0,1]=4 7032 B13R1.135 CCC(C)C(=O)C[n+]1ccccc1 1458a_200000086051_100000758301 [0,1,0,0,0,1|2,0,0]=4 7033 B13R1.135 CCC(C)C(=O)Cc1ccccc1 1458a_100011192722_100015291786 [0,1,0,0,0,1|1,0,0]=3 7034 B13R1.135 CCC(C)C(=O)Cc1ccccn1 1458a_100000233486_100000758301 [0,1,0,0,0,1|2,0,0]=4 7035 B13R1.135 CCC(C)C(=O)Cc1ccccn1 1458a_100011192722_100000721315 [0,1,0,0,0,1|2,0,0]=4 7036 B13R1.135 CCC(C)C(=O)Cc1cccnc1 1458a_100000737805_100000758301 [0,1,0,0,0,1|2,0,0]=4 7037 B13R1.135 CCC(C)C(=O)Cc1cccnc1 1458a_100011192722_100000733263 [0,1,0,0,0,1|2,0,0]=4 7038 B13R1.135 CCC(C)C(=O)Cc1ccncc1 1458a_100011192722_100000705612 [0,1,0,0,0,1|2,0,0]=4 7039 B13R1.135 CCC(C)C(=O)Nc1ccccc1 11a_100000106764_100011192722 [0,1,0,0,0,1|1,0,1]=4 7040 B13R1.135 CCC(C)C(=O)Nc1ccccc1 1626a_100000106764_100011192722 [0,1,0,0,0,1|1,0,1]=4 7041 B13R1.135 CCC(C)C(=O)Nc1ccccc1 22a_100000106764_100011192722 [0,1,0,0,0,1|1,0,1]=4 7042 B13R1.135 CCC(C)C(=O)Nc1ccccc1 527a_100000106764_100011192722 [0,1,0,0,0,1|1,0,1]=4 7043 B13R1.135 CCC(C)N(C)Cc1ccccc1 2230a_100000186898_100000758301 [0,1,0,0,0,1|1,0,0]=3 7044 B13R1.135 CCC(C)N(C)Cc1ccccc1 2230a_100000693180_200000210301 [0,1,0,0,0,1|1,0,0]=3 7045 B13R1.135 CCC(C)N(C)Cc1ccccc1 2230a_100000741768_100015291786 [0,1,0,0,0,1|1,0,0]=3 7046 B13R1.135 CCC(C)N(C)Cc1ccccc1 269982a_100000186898_100000758301 [0,1,0,0,0,1|1,0,0]=3 7047 B13R1.135 CCC(C)N(C)Cc1ccccc1 269982a_100000693180_200000210301 [0,1,0,0,0,1|1,0,0]=3 7048 B13R1.135 CCC(C)N(C)Cc1ccccc1 269982a_100000741768_100000211182 [0,1,0,0,0,1|1,0,0]=3 7049 B13R1.135 CCC(C)N(C)Cc1ccccc1 270004a_100000741768_100015611070 [0,1,0,0,0,1|1,0,0]=3 7050 B13R1.135 CCC(C)N(C)Cc1ccccn1 2230a_100000207498_100000758301 [0,1,0,0,0,1|2,0,0]=4 7051 B13R1.135 CCC(C)N(C)Cc1ccccn1 2230a_100000741768_100000721315 [0,1,0,0,0,1|2,0,0]=4 7052 B13R1.135 CCC(C)N(C)Cc1ccccn1 2230a_200000199859_200000210301 [0,1,0,0,0,1|2,0,0]=4 7053 B13R1.135 CCC(C)N(C)Cc1ccccn1 269982a_100000207498_100000758301 [0,1,0,0,0,1|2,0,0]=4 7054 B13R1.135 CCC(C)N(C)Cc1ccccn1 269982a_100000741768_100000721315 [0,1,0,0,0,1|2,0,0]=4 7055 B13R1.135 CCC(C)N(C)Cc1ccccn1 269982a_200000199859_200000210301 [0,1,0,0,0,1|2,0,0]=4 7056 B13R1.135 CCC(C)N(C)Cc1ccccn1 270004a_100000741768_100000209966 [0,1,0,0,0,1|2,0,0]=4 7057 B13R1.135 CCC(C)N(C)Cc1cccnc1 2230a_100000184577_100000758301 [0,1,0,0,0,1|2,0,0]=4 7058 B13R1.135 CCC(C)N(C)Cc1cccnc1 2230a_100000741768_100000741622 [0,1,0,0,0,1|2,0,0]=4 7059 B13R1.135 CCC(C)N(C)Cc1cccnc1 2230a_100015186520_200000210301 [0,1,0,0,0,1|2,0,0]=4 7060 B13R1.135 CCC(C)N(C)Cc1cccnc1 269982a_100000184577_100000758301 [0,1,0,0,0,1|2,0,0]=4 7061 B13R1.135 CCC(C)N(C)Cc1cccnc1 269982a_100000741768_100000733263 [0,1,0,0,0,1|2,0,0]=4 7062 B13R1.135 CCC(C)N(C)Cc1cccnc1 269982a_100015186520_200000210301 [0,1,0,0,0,1|2,0,0]=4 7063 B13R1.135 CCC(C)N(C)Cc1cccnc1 270004a_100000741768_100000209961 [0,1,0,0,0,1|2,0,0]=4 7064 B13R1.135 CCC(C)N(C)Cc1ccncc1 2230a_100000187231_100000758301 [0,1,0,0,0,1|2,0,0]=4 7065 B13R1.135 CCC(C)N(C)Cc1ccncc1 2230a_100000741768_100015193705 [0,1,0,0,0,1|2,0,0]=4 7066 B13R1.135 CCC(C)N(C)Cc1ccncc1 269982a_100000187231_100000758301 [0,1,0,0,0,1|2,0,0]=4 7067 B13R1.135 CCC(C)N(C)Cc1ccncc1 269982a_100000741768_100015193705 [0,1,0,0,0,1|2,0,0]=4 7068 B13R1.135 CCC(C)N(C)Cc1ccncc1 269982a_200015183986_200000210301 [0,1,0,0,0,1|2,0,0]=4 7069 B13R1.135 CCC(C)N([13CH3])Cc1ccccc1 2230a_100000693180_200025704644 [0,1,0,0,0,1|1,0,0]=3 7070 B13R1.135 CCC(C)N([13CH3])Cc1ccccc1 269982a_100000693180_200025704644 [0,1,0,0,0,1|1,0,0]=3 7071 B13R1.135 CCC(C)N([13CH3])Cc1ccccn1 2230a_200000199859_200025704644 [0,1,0,0,0,1|2,0,0]=4 7072 B13R1.135 CCC(C)N([13CH3])Cc1ccccn1 269982a_200000199859_200025704644 [0,1,0,0,0,1|2,0,0]=4 7073 B13R1.135 CCC(C)N([13CH3])Cc1cccnc1 2230a_100015186520_200025704644 [0,1,0,0,0,1|2,0,0]=4 7074 B13R1.135 CCC(C)N([13CH3])Cc1cccnc1 269982a_100015186520_200025704644 [0,1,0,0,0,1|2,0,0]=4 7075 B13R1.135 CCC(C)N([13CH3])Cc1ccncc1 269982a_200015183986_200025704644 [0,1,0,0,0,1|2,0,0]=4 7076 B13R1.135 CCC(O)C(=O)Cc1ccccc1 1458a_100011196387_100015291786 [0,1,0,0,0,1|2,0,0]=4 7077 B13R1.135 CCN(C)C(C)Cc1ccccc1 269982a_100000225621_200011218536 [0,1,0,0,0,1|2,0,0]=4 7078 B13R1.135 CNC(=O)C(=O)Cc1ccccc1 1458a_100011218921_100015291786 [0,1,0,0,0,1|1,0,1]=4 7079 B13R1.135 CNC(=O)C(C)Cc1ccccc1 11a_106832991635_100000754839 [0,1,0,0,0,1|1,0,1]=4 7080 B13R1.135 CNC(=O)C(C)Cc1ccccc1 1626a_100102657272_100000754839 [0,1,0,0,0,1|1,0,1]=4 7081 B13R1.135 CNC(=O)C(C)Cc1ccccc1 240690a_100102657272_100000754839 [0,1,0,0,0,1|1,0,1]=4 7082 B13R1.135 CNC(=O)C(C)Cc1ccccc1 527a_100102657272_100000754839 [0,1,0,0,0,1|1,0,1]=4 7083 B13R1.135 CNC(=O)C(C)Nc1ccccc1 34a_100000106764_100000731044 [0,1,0,0,0,1|1,0,1]=4 7084 B13R1.135 CNC(=O)C(C)Oc1ccccc1 11a_106832991635_100000188414 [0,1,0,0,0,1|1,0,1]=4 7085 B13R1.135 CNC(=O)C(C)Oc1ccccc1 1626a_100102657272_100000188414 [0,1,0,0,0,1|1,0,1]=4 7086 B13R1.135 CNC(=O)C(C)Oc1ccccc1 240690a_100102657272_100000188414 [0,1,0,0,0,1|1,0,1]=4 7087 B13R1.135 CNC(=O)C(C)Oc1ccccc1 34a_100000210340_100000731044 [0,1,0,0,0,1|1,0,1]=4 7088 B13R1.135 CNC(=O)C(C)Oc1ccccc1 527a_100102657272_100000188414 [0,1,0,0,0,1|1,0,1]=4 7089 B13R1.135 CNC(=O)C(C)Oc1ccccc1 7a_100000210340_100000209862 [0,1,0,0,0,1|1,0,1]=4 7090 B13R1.135 CNC(=O)C(C)Sc1ccccc1 11a_106832991635_100000199063 [0,1,0,0,0,1|1,0,1]=4 7091 B13R1.135 CNC(=O)C(C)Sc1ccccc1 1626a_100102657272_100000199063 [0,1,0,0,0,1|1,0,1]=4 7092 B13R1.135 CNC(=O)C(C)Sc1ccccc1 240690a_100102657272_100000199063 [0,1,0,0,0,1|1,0,1]=4 7093 B13R1.135 CNC(=O)C(C)Sc1ccccc1 527a_100102657272_100000199063 [0,1,0,0,0,1|1,0,1]=4 7094 B13R1.135 CNC(=O)C(C)Sc1ccccc1 62a_100000209862_100000041952 [0,1,0,0,0,1|1,0,1]=4 7095 B13R1.135 CNC(=O)C(C)Sc1ccccc1 62a_100000719477_100000731044 [0,1,0,0,0,1|1,0,1]=4 7096 B13R1.135 CNC(=O)C(F)Nc1ccccc1 34a_100000106764_100009813575 [0,1,0,0,0,1|1,0,1]=4 7097 B13R1.135 CNC(=O)C(F)Oc1ccccc1 34a_100000210340_100009813575 [0,1,0,0,0,1|1,0,1]=4 7098 B13R1.135 CNC(=O)C(F)Oc1ccccc1 7a_100000210340_100009813575 [0,1,0,0,0,1|1,0,1]=4 7099 B13R1.135 CNC(=O)C(F)Sc1ccccc1 62a_100000719477_100009813575 [0,1,0,0,0,1|1,0,1]=4 7100 B13R1.135 CNC(=O)C(F)Sc1ccccc1 62a_100009813575_100000041952 [0,1,0,0,0,1|1,0,1]=4 7101 B13R1.135 CNC(=O)N(C)Cc1ccccc1 2708a_100102657272_100000186898 [0,1,0,0,0,1|1,0,1]=4 7102 B13R1.135 CNC(=O)N(C)Cc1ccccc1 273464a_100102657272_100000186898 [0,1,0,0,0,1|1,0,1]=4 7103 B13R1.135 CNC(=O)[C@H](O)Cc1ccccc1 240690a_100102657272_100009816399 [0,1,0,0,0,1|1,0,1]=4 7104 B13R1.135 CNC(C)C(=O)Nc1ccccc1 2230a_100000754830_200000210301 [0,1,0,0,0,1|0,0,1]=3 7105 B13R1.135 CNC(C)C(=O)Nc1ccccc1 2230a_106832991635_100000183986 [0,1,0,0,0,1|0,0,1]=3 7106 B13R1.135 CNC(C)C(=O)Nc1ccccc1 34a_100000754830_200000210301 [0,1,0,0,0,1|0,0,1]=3 7107 B13R1.135 CNC(C)C(=O)Nc1ccccc1 34a_100102657272_100000183986 [0,1,0,0,0,1|0,0,1]=3 7108 B13R1.135 CNC(C)C(=O)Nc1ccccc1 7a_106832991635_100000183986 [0,1,0,0,0,1|0,0,1]=3 7109 B13R1.135 CNC(C)C(=O)Nc1ccccn1 2230a_106832991635_100015185774 [0,1,0,0,0,1|1,0,1]=4 7110 B13R1.135 CNC(C)C(C)Cc1ccccc1 269862a_106832991636_200011390852 [0,1,0,0,0,1|0,0,0]=2 7111 B13R1.135 CNC(C)C(C)Cc1ccccc1 270004a_106832991635_200011390852 [0,1,0,0,0,1|0,0,0]=2 7112 B13R1.135 CNC(C)C(C)Oc1ccccc1 270004a_106832991635_100000150574 [0,1,0,0,0,1|0,0,0]=2 7113 B13R1.135 COC(C)C(=O)Cc1ccccc1 1458a_100000743197_100015291786 [0,1,0,0,0,1|1,0,0]=3 7114 B13R1.135 COC(C)C(=O)Cc1ccccn1 1458a_100000743197_100000721315 [0,1,0,0,0,1|2,0,0]=4 7115 B13R1.135 COC(C)C(=O)Cc1cccnc1 1458a_100000743197_100000733263 [0,1,0,0,0,1|2,0,0]=4 7116 B13R1.135 COC(C)C(=O)Cc1ccncc1 1458a_100000743197_100000705612 [0,1,0,0,0,1|2,0,0]=4 7117 B13R1.135 COC(C)C(=O)Nc1ccccc1 11a_100000106764_100000743197 [0,1,0,0,0,1|1,0,1]=4 7118 B13R1.135 COC(C)C(=O)Nc1ccccc1 1626a_100000106764_100000743197 [0,1,0,0,0,1|1,0,1]=4 7119 B13R1.135 COC(C)C(=O)Nc1ccccc1 22a_100000106764_100000743197 [0,1,0,0,0,1|1,0,1]=4 7120 B13R1.135 COC(C)C(=O)Nc1ccccc1 34a_100138415774_100000183986 [0,1,0,0,0,1|1,0,1]=4 7121 B13R1.135 COC(C)C(=O)Nc1ccccc1 527a_100000106764_100000743197 [0,1,0,0,0,1|1,0,1]=4 7122 B13R1.135 COC(C)N(C)Cc1ccccc1 269982a_100000186898_100009879195 [0,1,0,0,0,1|1,0,0]=3 7123 B13R1.135 COC(C)N(C)Cc1ccccn1 269982a_100000207498_100009879195 [0,1,0,0,0,1|2,0,0]=4 7124 B13R1.135 COC(C)N(C)Cc1cccnc1 269982a_100000184577_100009879195 [0,1,0,0,0,1|2,0,0]=4 7125 B13R1.135 COC(C)N(C)Cc1ccncc1 269982a_100000187231_100009879195 [0,1,0,0,0,1|2,0,0]=4 7126 B13R1.135 CSC(C)C(=O)Cc1ccccc1 1458a_100000149566_100015291786 [0,1,0,0,0,1|1,0,0]=3 7127 B13R1.135 CSC(C)C(=O)Cc1ccccn1 1458a_100000149566_100000721315 [0,1,0,0,0,1|2,0,0]=4 7128 B13R1.135 CSC(C)C(=O)Cc1cccnc1 1458a_100000149566_100000733263 [0,1,0,0,0,1|2,0,0]=4 7129 B13R1.135 CSC(C)C(=O)Cc1ccncc1 1458a_100000149566_100000705612 [0,1,0,0,0,1|2,0,0]=4 7130 B13R1.135 CSC(C)C(=O)Nc1ccccc1 11a_100000106764_100000149566 [0,1,0,0,0,1|1,0,1]=4 7131 B13R1.135 CSC(C)C(=O)Nc1ccccc1 1626a_100000106764_100000149566 [0,1,0,0,0,1|1,0,1]=4 7132 B13R1.135 CSC(C)C(=O)Nc1ccccc1 22a_100000106764_100000149566 [0,1,0,0,0,1|1,0,1]=4 7133 B13R1.135 CSC(C)C(=O)Nc1ccccc1 527a_100000106764_100000149566 [0,1,0,0,0,1|1,0,1]=4 7134 B13R1.135 CSC(C)C(=O)Nc1ccccc1 62a_100000183986_200000210301 [0,1,0,0,0,1|1,0,1]=4 7135 B13R1.135 CSC(C)C(=O)Nc1ccccc1 62a_200000210301_100000183986 [0,1,0,0,0,1|1,0,1]=4 7136 B13R1.135 C[C@H](CO)N(C)Cc1ccccc1 2230a_100000762708_200000210301 [0,1,0,0,0,1|2,0,0]=4 7137 B13R1.135 C[C@H](CO)N(C)Cc1ccccc1 269982a_100000186898_100016084084 [0,1,0,0,0,1|2,0,0]=4 7138 B13R1.135 C[C@H](CO)N(C)Cc1ccccc1 269982a_100000762708_200000210301 [0,1,0,0,0,1|2,0,0]=4 7139 B13R1.135 C[C@H](CO)N([13CH3])Cc1ccccc1 2230a_100000762708_200025704644 [0,1,0,0,0,1|2,0,0]=4 7140 B13R1.135 C[C@H](CO)N([13CH3])Cc1ccccc1 269982a_100000762708_200025704644 [0,1,0,0,0,1|2,0,0]=4 7141 B13R1.254 C#CC(C)(C)NCc1ccccc1 270004a_100000054563_100015611070 [0,1,0,0,0,1|1,0,1]=4 7142 B13R1.254 C#CC(C)(C)NCc1ccccc1 34a_100000054563_100015291786 [0,1,0,0,0,1|1,0,1]=4 7143 B13R1.254 C#CC(C)(C)NCc1ccccc1 34a_100015324214_100000038118 [0,1,0,0,0,1|1,0,1]=4 7144 B13R1.254 C#CC(C)(C)OCc1ccccc1 34a_100000189450_100015291786 [0,1,0,0,0,1|1,0,1]=4 7145 B13R1.254 C#CC(C)(C)OCc1ccccc1 34a_100000210790_100000038118 [0,1,0,0,0,1|1,0,1]=4 7146 B13R1.254 C#CC(C)(C)OCc1ccccc1 7a_100000189450_100000211182 [0,1,0,0,0,1|1,0,1]=4 7147 B13R1.254 C#CC(C)(C)SCc1ccccc1 62a_100000038118_100015291786 [0,1,0,0,0,1|1,0,1]=4 7148 B13R1.254 C#CC(C)(C)SCc1ccccc1 62a_100000211182_100000038118 [0,1,0,0,0,1|1,0,1]=4 7149 B13R1.254 C=CC(C)(C)OCc1ccccc1 34a_100011215311_100015291786 [0,1,0,0,0,1|1,0,1]=4 7150 B13R1.254 C=CC(C)(C)OCc1ccccc1 7a_100011215311_100000211182 [0,1,0,0,0,1|1,0,1]=4 7151 B13R1.254 CC(C)(C#Cc1ccccc1)O[13CH3] 34a_100011204173_200025704644 [0,1,0,0,0,1|1,0,1]=4 7152 B13R1.254 CC(C)(C#Cc1ccccc1)O[13CH3] 7a_100011204173_200025704644 [0,1,0,0,0,1|1,0,1]=4 7153 B13R1.254 CC(C)(C#N)NCc1ccccc1 34a_100015324214_100011162410 [0,1,0,0,0,1|2,0,0]=4 7154 B13R1.254 CC(C)(C#N)OCc1ccccc1 34a_100000210790_100011162410 [0,1,0,0,0,1|2,0,0]=4 7155 B13R1.254 CC(C)(C#N)OCc1ccccc1 34a_200015195151_100015291786 [0,1,0,0,0,1|2,0,0]=4 7156 B13R1.254 CC(C)(C#N)OCc1ccccc1 7a_100000210790_100011162410 [0,1,0,0,0,1|2,0,0]=4 7157 B13R1.254 CC(C)(C#N)SCc1ccccc1 62a_100000211182_100011162410 [0,1,0,0,0,1|2,0,0]=4 7158 B13R1.254 CC(C)(C#N)SCc1ccccc1 62a_100011162410_100015291786 [0,1,0,0,0,1|2,0,0]=4 7159 B13R1.254 CC(C)(CCc1ccccc1)O[13CH3] 7a_100000750528_200025704644 [0,1,0,0,0,1|1,0,0]=3 7160 B13R1.254 CC(C)(CCl)OCc1ccccc1 7a_100000764493_100000211182 [0,1,0,0,0,1|2,0,0]=4 7161 B13R1.254 CC(C)(CO)CNc1ccccc1 34a_100000106764_100009813988 [0,1,0,0,0,1|2,0,0]=4 7162 B13R1.254 CC(C)(CO)COc1ccccc1 34a_100000210340_100009813988 [0,1,0,0,0,1|2,0,0]=4 7163 B13R1.254 CC(C)(CO)COc1ccccc1 7a_100000210340_100009813988 [0,1,0,0,0,1|2,0,0]=4 7164 B13R1.254 CC(C)(CO)CSc1ccccc1 62a_100000719477_100009813988 [0,1,0,0,0,1|2,0,0]=4 7165 B13R1.254 CC(C)(CO)CSc1ccccc1 62a_100009813988_100000041952 [0,1,0,0,0,1|2,0,0]=4 7166 B13R1.254 CC(C)(CO)NCc1ccccc1 207a_100000210608_100015611070 [0,1,0,0,0,1|2,0,0]=4 7167 B13R1.254 CC(C)(CO)NCc1ccccc1 2230a_100000210608_100015291786 [0,1,0,0,0,1|2,0,0]=4 7168 B13R1.254 CC(C)(CO)NCc1ccccc1 270004a_100000210608_100015611070 [0,1,0,0,0,1|2,0,0]=4 7169 B13R1.254 CCC(C)(C)NCc1ccccc1 207a_100000211385_100015611070 [0,1,0,0,0,1|1,0,0]=3 7170 B13R1.254 CCC(C)(C)NCc1ccccc1 2230a_100000211385_100015291786 [0,1,0,0,0,1|1,0,0]=3 7171 B13R1.254 CCC(C)(C)NCc1ccccc1 270004a_100000211385_100015611070 [0,1,0,0,0,1|1,0,0]=3 7172 B13R1.254 CCC(C)(C)NCc1ccccn1 207a_100000211385_100000209966 [0,1,0,0,0,1|2,0,0]=4 7173 B13R1.254 CCC(C)(C)NCc1ccccn1 2230a_100000211385_100000721315 [0,1,0,0,0,1|2,0,0]=4 7174 B13R1.254 CCC(C)(C)NCc1ccccn1 270004a_100000211385_100000209966 [0,1,0,0,0,1|2,0,0]=4 7175 B13R1.254 CCC(C)(C)NCc1cccnc1 207a_100000211385_100000209961 [0,1,0,0,0,1|2,0,0]=4 7176 B13R1.254 CCC(C)(C)NCc1cccnc1 2230a_100000211385_100000741622 [0,1,0,0,0,1|2,0,0]=4 7177 B13R1.254 CCC(C)(C)NCc1cccnc1 270004a_100000211385_100000209961 [0,1,0,0,0,1|2,0,0]=4 7178 B13R1.254 CCC(C)(C)NCc1ccncc1 207a_100000211385_100000186114 [0,1,0,0,0,1|2,0,0]=4 7179 B13R1.254 CCC(C)(C)NCc1ccncc1 2230a_100000211385_100015193705 [0,1,0,0,0,1|2,0,0]=4 7180 B13R1.254 CCC(C)(C)OCc1ccccc1 7a_100000210230_100000211182 [0,1,0,0,0,1|1,0,0]=3 7181 B13R1.254 CCC(C)(C)OCc1ccccc1 7a_100000210790_100000210677 [0,1,0,0,0,1|1,0,0]=3 7182 B13R1.254 CCC(C)(C)OCc1ccccn1 7a_100000210230_100000721315 [0,1,0,0,0,1|2,0,0]=4 7183 B13R1.254 CCC(C)(C)OCc1cccnc1 7a_100000210230_100000741622 [0,1,0,0,0,1|2,0,0]=4 7184 B13R1.254 CCC(C)(C)OCc1ccncc1 7a_100000210230_100015193705 [0,1,0,0,0,1|2,0,0]=4 7185 B13R1.254 CCC(C)(C)SCc1ccccc1 62a_100000032637_100015291786 [0,1,0,0,0,1|1,0,0]=3 7186 B13R1.254 CCC(C)(C)SCc1ccccc1 62a_100000211182_100000032637 [0,1,0,0,0,1|1,0,0]=3 7187 B13R1.254 CCC(C)(C)SCc1ccccn1 62a_100000032637_100000721315 [0,1,0,0,0,1|2,0,0]=4 7188 B13R1.254 CCC(C)(C)SCc1ccccn1 62a_100000721315_100000032637 [0,1,0,0,0,1|2,0,0]=4 7189 B13R1.254 CCC(C)(C)SCc1cccnc1 62a_100000032637_100000741622 [0,1,0,0,0,1|2,0,0]=4 7190 B13R1.254 CCC(C)(C)SCc1cccnc1 62a_100000741622_100000032637 [0,1,0,0,0,1|2,0,0]=4 7191 B13R1.254 CCC(C)(C)SCc1ccncc1 62a_100000032637_100015193705 [0,1,0,0,0,1|2,0,0]=4 7192 B13R1.254 CCC(C)(C)SCc1ccncc1 62a_100015193705_100000032637 [0,1,0,0,0,1|2,0,0]=4 7193 B13R1.254 CNS(=O)(=O)CCc1ccccc1 270084a_100102657272_100000738789 [0,1,0,0,0,1|2,0,0]=4 7194 B13R1.254 CNS(=O)(=O)CCc1ccccc1 274078a_100102657272_100000738789 [0,1,0,0,0,1|2,0,0]=4 7195 B13R1.254 COC(C)(C)C#Cc1ccccc1 34a_100011204173_200000210301 [0,1,0,0,0,1|1,0,1]=4 7196 B13R1.254 COC(C)(C)C#Cc1ccccc1 7a_100011204173_200000210301 [0,1,0,0,0,1|1,0,1]=4 7197 B13R1.254 COC(C)(C)CCc1ccccc1 7a_100000750528_200000210301 [0,1,0,0,0,1|1,0,0]=3 7198 B13R1.254 COC(C)(C)CNc1ccccc1 34a_100000106764_100000701081 [0,1,0,0,0,1|1,0,0]=3 7199 B13R1.254 COC(C)(C)COc1ccccc1 34a_100000210340_100000701081 [0,1,0,0,0,1|1,0,0]=3 7200 B13R1.254 COC(C)(C)COc1cccnc1 34a_100000210849_100000701081 [0,1,0,0,0,1|2,0,0]=4 7201 B13R1.254 COC(C)(C)COc1ccncc1 34a_100000212176_100000701081 [0,1,0,0,0,1|2,0,0]=4 7202 B13R1.254 COC(C)(C)CSc1ccccc1 62a_100000701081_100000041952 [0,1,0,0,0,1|1,0,0]=3 7203 B13R1.254 COC(C)(C)CSc1ccccc1 62a_100000719477_100000701081 [0,1,0,0,0,1|1,0,0]=3 7204 B13R1.254 COC(C)(C)CSc1ccccn1 62a_100000701081_100011216584 [0,1,0,0,0,1|2,0,0]=4 7205 B13R1.254 COC(C)(C)CSc1ccccn1 62a_100011216584_100000701081 [0,1,0,0,0,1|2,0,0]=4 7206 B13R1.254 COC(C)(C)CSc1cccnc1 62a_100000210063_100000701081 [0,1,0,0,0,1|2,0,0]=4 7207 B13R1.254 COC(C)(C)CSc1cccnc1 62a_100000701081_100000210063 [0,1,0,0,0,1|2,0,0]=4 7208 B13R1.254 COC(C)(C)CSc1ccncc1 62a_100000701081_100000728582 [0,1,0,0,0,1|2,0,0]=4 7209 B13R1.254 COC(C)(C)CSc1ccncc1 62a_100000728582_100000701081 [0,1,0,0,0,1|2,0,0]=4 7210 B13R1.351 C=C(C)C(C)NCc1ccccc1 269862a_100015324214_100011216138 [0,1,0,0,0,1|1,0,0]=3 7211 B13R1.351 C=C(C)C(C)NCc1cccnc1 269862a_100000210453_100011216138 [0,1,0,0,0,1|2,0,0]=4 7212 B13R1.351 C=C(C)C(C)NCc1ccncc1 269862a_100000210450_100011216138 [0,1,0,0,0,1|2,0,0]=4 7213 B13R1.351 CC(=O)C(C)CCc1ccccc1 1458a_100011435293_200000210301 [0,1,0,0,0,1|1,0,0]=3 7214 B13R1.351 CC(=O)C(C)NCc1ccccc1 2230a_100015324214_100009814033 [0,1,0,0,0,1|1,0,0]=3 7215 B13R1.351 CC(=O)C(C)OCc1ccccc1 34a_100000212229_100015291786 [0,1,0,0,0,1|1,0,0]=3 7216 B13R1.351 CC(=O)C(C)OCc1ccccc1 7a_100000210790_100000179758 [0,1,0,0,0,1|1,0,0]=3 7217 B13R1.351 CC(=O)C(C)OCc1ccccn1 34a_100000212229_100000721315 [0,1,0,0,0,1|2,0,0]=4 7218 B13R1.351 CC(=O)C(C)OCc1cccnc1 34a_100000212229_100000733263 [0,1,0,0,0,1|2,0,0]=4 7219 B13R1.351 CC(=O)C(C)SCc1ccccc1 1458a_100000149570_200000210301 [0,1,0,0,0,1|1,0,0]=3 7220 B13R1.351 CC(=O)C(C)SCc1ccccc1 62a_100000211182_100009814033 [0,1,0,0,0,1|1,0,0]=3 7221 B13R1.351 CC(=O)C(C)SCc1ccccc1 62a_100009814033_100015291786 [0,1,0,0,0,1|1,0,0]=3 7222 B13R1.351 CC(=O)C(C)SCc1ccccn1 62a_100000721315_100009814033 [0,1,0,0,0,1|2,0,0]=4 7223 B13R1.351 CC(=O)C(C)SCc1ccccn1 62a_100009814033_100000721315 [0,1,0,0,0,1|2,0,0]=4 7224 B13R1.351 CC(=O)C(C)SCc1cccnc1 62a_100000741622_100009814033 [0,1,0,0,0,1|2,0,0]=4 7225 B13R1.351 CC(=O)C(C)SCc1cccnc1 62a_100009814033_100000741622 [0,1,0,0,0,1|2,0,0]=4 7226 B13R1.351 CC(=O)C(C)SCc1ccncc1 62a_100009814033_100015193705 [0,1,0,0,0,1|2,0,0]=4 7227 B13R1.351 CC(=O)C(C)SCc1ccncc1 62a_100015193705_100009814033 [0,1,0,0,0,1|2,0,0]=4 7228 B13R1.351 CC(=O)C(O)CCc1ccccc1 1458a_100000242596_200000210301 [0,1,0,0,0,1|2,0,0]=4 7229 B13R1.351 CC(=O)N(C)CCc1ccccc1 11a_100000207497_100015343762 [0,1,0,0,0,1|2,0,0]=4 7230 B13R1.351 CC(=O)N(C)CCc1ccccc1 1626a_100000207497_100015343762 [0,1,0,0,0,1|2,0,0]=4 7231 B13R1.351 CC(=O)N(C)CCc1ccccc1 240690a_100000207497_100015343762 [0,1,0,0,0,1|2,0,0]=4 7232 B13R1.351 CC(=O)N(C)CCc1ccccc1 527a_100000207497_100103153847 [0,1,0,0,0,1|2,0,0]=4 7233 B13R1.351 CC(=O)[C@H](C)OCc1ccccc1 1458a_100000703211_200000210301 [0,1,0,0,0,1|1,0,0]=3 7234 B13R1.351 CC(C)C(C)NCc1ccccc1 207a_100000211541_100015611070 [0,1,0,0,0,1|1,0,0]=3 7235 B13R1.351 CC(C)C(C)NCc1ccccc1 2230a_100000211541_100015291786 [0,1,0,0,0,1|1,0,0]=3 7236 B13R1.351 CC(C)C(C)NCc1ccccc1 270004a_100000211541_100015611070 [0,1,0,0,0,1|1,0,0]=3 7237 B13R1.351 CC(C)C(C)NCc1ccccn1 207a_100000211541_100000209966 [0,1,0,0,0,1|2,0,0]=4 7238 B13R1.351 CC(C)C(C)NCc1ccccn1 2230a_100000211541_100000721315 [0,1,0,0,0,1|2,0,0]=4 7239 B13R1.351 CC(C)C(C)NCc1ccccn1 270004a_100000211541_100000209966 [0,1,0,0,0,1|2,0,0]=4 7240 B13R1.351 CC(C)C(C)NCc1cccnc1 207a_100000211541_100000209961 [0,1,0,0,0,1|2,0,0]=4 7241 B13R1.351 CC(C)C(C)NCc1cccnc1 2230a_100000211541_100000741622 [0,1,0,0,0,1|2,0,0]=4 7242 B13R1.351 CC(C)C(C)NCc1cccnc1 270004a_100000211541_100000209961 [0,1,0,0,0,1|2,0,0]=4 7243 B13R1.351 CC(C)C(C)NCc1ccncc1 207a_100000211541_100000186114 [0,1,0,0,0,1|2,0,0]=4 7244 B13R1.351 CC(C)C(C)NCc1ccncc1 2230a_100000211541_100015193705 [0,1,0,0,0,1|2,0,0]=4 7245 B13R1.351 CC(C)C(C)OCc1ccccc1 7a_100000748068_100000211182 [0,1,0,0,0,1|1,0,0]=3 7246 B13R1.351 CC(C)C(C)OCc1ccccn1 7a_100000748068_100000721315 [0,1,0,0,0,1|2,0,0]=4 7247 B13R1.351 CC(C)C(C)OCc1cccnc1 7a_100000748068_100000741622 [0,1,0,0,0,1|2,0,0]=4 7248 B13R1.351 CC(C)C(C)OCc1ccncc1 7a_100000748068_100015193705 [0,1,0,0,0,1|2,0,0]=4 7249 B13R1.351 CC(C)N(C)CCc1ccccc1 2230a_100000200190_200000210301 [0,1,0,0,0,1|2,0,0]=4 7250 B13R1.351 CC(C)N(C)CCc1ccccc1 2230a_100000207497_100000210206 [0,1,0,0,0,1|2,0,0]=4 7251 B13R1.351 CC(C)N(C)CCc1ccccc1 269982a_100000200190_200000210301 [0,1,0,0,0,1|2,0,0]=4 7252 B13R1.351 CC(C)N(C)CCc1ccccc1 269982a_100000207497_100000210206 [0,1,0,0,0,1|2,0,0]=4 7253 B13R1.351 CC(C)N(C)CCc1ccccc1 269982a_200000211004_100000765856 [0,1,0,0,0,1|2,0,0]=4 7254 B13R1.351 CC(C)N(C)CCc1ccccc1 34a_100000200190_200000210301 [0,1,0,0,0,1|2,0,0]=4 7255 B13R1.351 CC(C)N(C)CSc1ccccc1 269982a_200000211004_100011218342 [0,1,0,0,0,1|2,0,0]=4 7256 B13R1.351 CC(C)N([13CH3])CCc1ccccc1 2230a_100000200190_200025704644 [0,1,0,0,0,1|2,0,0]=4 7257 B13R1.351 CC(C)N([13CH3])CCc1ccccc1 269982a_100000200190_200025704644 [0,1,0,0,0,1|2,0,0]=4 7258 B13R1.351 CC(C)N([13CH3])CCc1ccccc1 34a_100000200190_200025704644 [0,1,0,0,0,1|2,0,0]=4 7259 B13R1.351 CC(CCc1ccccc1)C(=O)[13CH3] 1458a_100011435293_200025704644 [0,1,0,0,0,1|1,0,0]=3 7260 B13R1.351 CC(CCc1ccccc1)N(C)C 270004a_100102631434_100000210092 [0,1,0,0,0,1|0,0,0]=2 7261 B13R1.351 CC(COc1ccccc1)N(C)C 270004a_100102631434_100000150576 [0,1,0,0,0,1|0,0,0]=2 7262 B13R1.351 CC(CSc1ccccc1)N(C)C 270004a_100102631434_100000150717 [0,1,0,0,0,1|0,0,0]=2 7263 B13R1.351 CC(NCc1ccccc1)C(=O)N 2230a_100015324214_100000702099 [0,1,0,0,0,1|2,0,0]=4 7264 B13R1.351 CC(NCc1ccccc1)C(=O)N 34a_100015324214_100000702099 [0,1,0,0,0,1|2,0,0]=4 7265 B13R1.351 CC(OCc1ccccc1)C(=O)N 34a_100000210790_100000702099 [0,1,0,0,0,1|2,0,0]=4 7266 B13R1.351 CC(OCc1ccccc1)C(=O)N 7a_100000210790_100000702099 [0,1,0,0,0,1|2,0,0]=4 7267 B13R1.351 CC(SCc1ccccc1)C(=O)N 62a_100000211182_100000702099 [0,1,0,0,0,1|2,0,0]=4 7268 B13R1.351 CC(SCc1ccccc1)C(=O)N 62a_100000702099_100015291786 [0,1,0,0,0,1|2,0,0]=4 7269 B13R1.351 CC(SCc1ccccc1)C(=O)[13CH3] 1458a_100000149570_200025704644 [0,1,0,0,0,1|1,0,0]=3 7270 B13R1.351 CN(C)C(=O)CCc1ccccc1 11a_100102631434_100000185753 [0,1,0,0,0,1|1,0,1]=4 7271 B13R1.351 CN(C)C(=O)CCc1ccccc1 1626a_100102631434_100000185753 [0,1,0,0,0,1|1,0,1]=4 7272 B13R1.351 CN(C)C(=O)CCc1ccccc1 240690a_100102631434_100000185753 [0,1,0,0,0,1|1,0,1]=4 7273 B13R1.351 CN(C)C(=O)CCc1ccccc1 271570a_200010232142_100000210277 [0,1,0,0,0,1|1,0,1]=4 7274 B13R1.351 CN(C)C(=O)CCc1ccccc1 527a_100102631434_100000185753 [0,1,0,0,0,1|1,0,1]=4 7275 B13R1.351 CN(C)C(=O)CNc1ccccc1 34a_100000106764_100000692301 [0,1,0,0,0,1|1,0,1]=4 7276 B13R1.351 CN(C)C(=O)COc1ccccc1 11a_100102631434_100000186222 [0,1,0,0,0,1|1,0,1]=4 7277 B13R1.351 CN(C)C(=O)COc1ccccc1 1626a_100102631434_100000186222 [0,1,0,0,0,1|1,0,1]=4 7278 B13R1.351 CN(C)C(=O)COc1ccccc1 240690a_100102631434_100000186222 [0,1,0,0,0,1|1,0,1]=4 7279 B13R1.351 CN(C)C(=O)COc1ccccc1 34a_100000210340_100000692301 [0,1,0,0,0,1|1,0,1]=4 7280 B13R1.351 CN(C)C(=O)COc1ccccc1 527a_100102631434_100000186222 [0,1,0,0,0,1|1,0,1]=4 7281 B13R1.351 CN(C)C(=O)COc1ccccc1 7a_100000210340_100000692301 [0,1,0,0,0,1|1,0,1]=4 7282 B13R1.351 CN(C)C(=O)CSc1ccccc1 11a_100102631434_100000211596 [0,1,0,0,0,1|1,0,1]=4 7283 B13R1.351 CN(C)C(=O)CSc1ccccc1 1626a_100102631434_100000211596 [0,1,0,0,0,1|1,0,1]=4 7284 B13R1.351 CN(C)C(=O)CSc1ccccc1 240690a_100102631434_100000211596 [0,1,0,0,0,1|1,0,1]=4 7285 B13R1.351 CN(C)C(=O)CSc1ccccc1 527a_100102631434_100000211596 [0,1,0,0,0,1|1,0,1]=4 7286 B13R1.351 CN(C)C(=O)CSc1ccccc1 62a_100000692301_100000041952 [0,1,0,0,0,1|1,0,1]=4 7287 B13R1.351 CN(C)C(=O)CSc1ccccc1 62a_100000719477_100000692301 [0,1,0,0,0,1|1,0,1]=4 7288 B13R1.351 CN(C)C(=O)NCc1ccccc1 2708a_100015324214_100102631434 [0,1,0,0,0,1|1,0,1]=4 7289 B13R1.351 C[C@@H](NCc1ccccc1)C(=O)N 2230a_100000119354_100015291786 [0,1,0,0,0,1|2,0,0]=4 7290 B13R1.351 C[C@@H](NCc1ccccc1)C(=O)N 270004a_100000119354_100015611070 [0,1,0,0,0,1|2,0,0]=4 7291 B13R1.351 C[C@@H](NCc1ccccc1)C(=O)N 34a_100000119354_100015291786 [0,1,0,0,0,1|2,0,0]=4 7292 B13R1.351 C[C@@H](OCc1ccccc1)C(=O)N 34a_100000731257_100015291786 [0,1,0,0,0,1|2,0,0]=4 7293 B13R1.351 C[C@@H](OCc1ccccc1)C(=O)N 7a_100000731257_100000211182 [0,1,0,0,0,1|2,0,0]=4 7294 B13R1.351 C[C@H](NCc1ccccc1)C(=O)O 269956a_100000743915_100015291786 [0,1,0,0,0,1|2,0,0]=4 7295 B13R1.351 C[C@H](OCc1ccccc1)C(=O)[13CH3] 1458a_100000703211_200025704644 [0,1,0,0,0,1|1,0,0]=3 7296 B13R1.351 C[C@H](OCc1ccccc1)C(=O)[O-] 7a_217856618621_100000211182 [0,1,0,0,0,1|2,0,0]=4 7297 B13R1.351 [13CH3]C(=O)C(O)CCc1ccccc1 1458a_100000242596_200025704644 [0,1,0,0,0,1|2,0,0]=4 7298 B13R1.417 C#CC(CC)OCc1ccccc1 34a_100000758843_100015291786 [0,1,0,0,0,1|1,0,1]=4 7299 B13R1.417 C#CC(CC)OCc1ccccc1 7a_100000758843_100000211182 [0,1,0,0,0,1|1,0,1]=4 7300 B13R1.417 C=CC(CC)OCc1ccccc1 34a_100000766422_100015291786 [0,1,0,0,0,1|1,0,1]=4 7301 B13R1.417 C=CC(CC)OCc1ccccc1 7a_100000766422_100000211182 [0,1,0,0,0,1|1,0,1]=4 7302 B13R1.417 C=C[C@@H](CO)NCc1ccccc1 2230a_100016989147_100015291786 [0,1,0,0,0,1|1,0,1]=4 7303 B13R1.417 C=C[C@@H](CO)NCc1ccccc1 270004a_100016989147_100015611070 [0,1,0,0,0,1|1,0,1]=4 7304 B13R1.417 C=C[C@@H](CO)NCc1ccccc1 34a_100016989147_100015291786 [0,1,0,0,0,1|1,0,1]=4 7305 B13R1.417 CCC(C#Cc1ccccc1)OC 34a_200000065154_200000210301 [0,1,0,0,0,1|1,0,1]=4 7306 B13R1.417 CCC(C#Cc1ccccc1)OC 7a_200000065154_200000210301 [0,1,0,0,0,1|1,0,1]=4 7307 B13R1.417 CCC(C#Cc1ccccc1)O[13CH3] 34a_200000065154_200025704644 [0,1,0,0,0,1|1,0,1]=4 7308 B13R1.417 CCC(C#Cc1ccccc1)O[13CH3] 7a_200000065154_200025704644 [0,1,0,0,0,1|1,0,1]=4 7309 B13R1.417 CCC(CC)CNc1ccccc1 34a_100000106764_100011215472 [0,1,0,0,0,1|1,0,0]=3 7310 B13R1.417 CCC(CC)COc1ccccc1 34a_100000210340_100011215472 [0,1,0,0,0,1|1,0,0]=3 7311 B13R1.417 CCC(CC)COc1ccccc1 7a_100000210340_100011215472 [0,1,0,0,0,1|1,0,0]=3 7312 B13R1.417 CCC(CC)COc1cccnc1 34a_100000210849_100011215472 [0,1,0,0,0,1|2,0,0]=4 7313 B13R1.417 CCC(CC)COc1cccnc1 7a_100000210849_100011215472 [0,1,0,0,0,1|2,0,0]=4 7314 B13R1.417 CCC(CC)COc1ccncc1 34a_100000212176_100011215472 [0,1,0,0,0,1|2,0,0]=4 7315 B13R1.417 CCC(CC)CSc1ccccc1 62a_100000719477_100011215472 [0,1,0,0,0,1|1,0,0]=3 7316 B13R1.417 CCC(CC)CSc1ccccc1 62a_100011215472_100000041952 [0,1,0,0,0,1|1,0,0]=3 7317 B13R1.417 CCC(CC)CSc1ccccn1 62a_100011215472_100011216584 [0,1,0,0,0,1|2,0,0]=4 7318 B13R1.417 CCC(CC)CSc1ccccn1 62a_100011216584_100011215472 [0,1,0,0,0,1|2,0,0]=4 7319 B13R1.417 CCC(CC)CSc1cccnc1 62a_100000210063_100011215472 [0,1,0,0,0,1|2,0,0]=4 7320 B13R1.417 CCC(CC)CSc1cccnc1 62a_100011215472_100000210063 [0,1,0,0,0,1|2,0,0]=4 7321 B13R1.417 CCC(CC)CSc1ccncc1 62a_100000728582_100011215472 [0,1,0,0,0,1|2,0,0]=4 7322 B13R1.417 CCC(CC)CSc1ccncc1 62a_100011215472_100000728582 [0,1,0,0,0,1|2,0,0]=4 7323 B13R1.417 CCC(CC)NCc1ccccc1 207a_100000199018_100015611070 [0,1,0,0,0,1|1,0,0]=3 7324 B13R1.417 CCC(CC)NCc1ccccc1 2230a_100000199018_100015291786 [0,1,0,0,0,1|1,0,0]=3 7325 B13R1.417 CCC(CC)NCc1ccccc1 270004a_100000199018_100015611070 [0,1,0,0,0,1|1,0,0]=3 7326 B13R1.417 CCC(CC)NCc1ccccc1 270004a_100015324214_100000210860 [0,1,0,0,0,1|1,0,0]=3 7327 B13R1.417 CCC(CC)NCc1ccccn1 207a_100000199018_100000209966 [0,1,0,0,0,1|2,0,0]=4 7328 B13R1.417 CCC(CC)NCc1ccccn1 2230a_100000199018_100000721315 [0,1,0,0,0,1|2,0,0]=4 7329 B13R1.417 CCC(CC)NCc1ccccn1 270004a_100000199018_100000209966 [0,1,0,0,0,1|2,0,0]=4 7330 B13R1.417 CCC(CC)NCc1ccccn1 270004a_100000210449_100000210860 [0,1,0,0,0,1|2,0,0]=4 7331 B13R1.417 CCC(CC)NCc1cccnc1 207a_100000199018_100000209961 [0,1,0,0,0,1|2,0,0]=4 7332 B13R1.417 CCC(CC)NCc1cccnc1 2230a_100000199018_100000741622 [0,1,0,0,0,1|2,0,0]=4 7333 B13R1.417 CCC(CC)NCc1cccnc1 270004a_100000199018_100000209961 [0,1,0,0,0,1|2,0,0]=4 7334 B13R1.417 CCC(CC)NCc1cccnc1 270004a_100000210453_100000210860 [0,1,0,0,0,1|2,0,0]=4 7335 B13R1.417 CCC(CC)NCc1ccncc1 207a_100000199018_100000186114 [0,1,0,0,0,1|2,0,0]=4 7336 B13R1.417 CCC(CC)NCc1ccncc1 2230a_100000199018_100015193705 [0,1,0,0,0,1|2,0,0]=4 7337 B13R1.417 CCC(CC)OCc1ccccc1 7a_100000210790_100000210505 [0,1,0,0,0,1|1,0,0]=3 7338 B13R1.417 CCC(CC)OCc1ccccc1 7a_100000688536_100000211182 [0,1,0,0,0,1|1,0,0]=3 7339 B13R1.417 CCC(CC)OCc1ccccn1 7a_100000688536_100000721315 [0,1,0,0,0,1|2,0,0]=4 7340 B13R1.417 CCC(CC)OCc1cccnc1 7a_100000688536_100000741622 [0,1,0,0,0,1|2,0,0]=4 7341 B13R1.417 CCC(CC)OCc1ccncc1 7a_100000688536_100015193705 [0,1,0,0,0,1|2,0,0]=4 7342 B13R1.417 CCC(CC)SCc1ccccc1 62a_100000210505_100015291786 [0,1,0,0,0,1|1,0,0]=3 7343 B13R1.417 CCC(CC)SCc1ccccc1 62a_100000211182_100000210505 [0,1,0,0,0,1|1,0,0]=3 7344 B13R1.417 CCC(CC)SCc1ccccn1 62a_100000210505_100000721315 [0,1,0,0,0,1|2,0,0]=4 7345 B13R1.417 CCC(CC)SCc1ccccn1 62a_100000721315_100000210505 [0,1,0,0,0,1|2,0,0]=4 7346 B13R1.417 CCC(CC)SCc1cccnc1 62a_100000210505_100000741622 [0,1,0,0,0,1|2,0,0]=4 7347 B13R1.417 CCC(CC)SCc1cccnc1 62a_100000741622_100000210505 [0,1,0,0,0,1|2,0,0]=4 7348 B13R1.417 CCC(CC)SCc1ccncc1 62a_100000210505_100015193705 [0,1,0,0,0,1|2,0,0]=4 7349 B13R1.417 CCC(CC)SCc1ccncc1 62a_100015193705_100000210505 [0,1,0,0,0,1|2,0,0]=4 7350 B13R1.417 CCC(CCc1ccccc1)NC 270004a_106832991635_100011279265 [0,1,0,0,0,1|0,0,0]=2 7351 B13R1.417 CCN(CC)CCc1ccccc1 2230a_100000724800_100000765856 [0,1,0,0,0,1|2,0,0]=4 7352 B13R1.417 CCN(CC)CCc1ccccc1 2230a_100000741020_100000210202 [0,1,0,0,0,1|2,0,0]=4 7353 B13R1.417 CCN(CC)CCc1ccccc1 269956a_100000042499_100000765856 [0,1,0,0,0,1|2,0,0]=4 7354 B13R1.417 CCN(CC)CCc1ccccc1 269982a_100000724800_100000765856 [0,1,0,0,0,1|2,0,0]=4 7355 B13R1.417 CCN(CC)CCc1ccccc1 269982a_100000741020_100000204670 [0,1,0,0,0,1|2,0,0]=4 7356 B13R1.417 CCN(CC)CSc1ccccc1 2230a_100000724800_100011218342 [0,1,0,0,0,1|2,0,0]=4 7357 B13R1.417 CCN(CC)CSc1ccccc1 269956a_100000042499_100011218342 [0,1,0,0,0,1|2,0,0]=4 7358 B13R1.417 CCN(CC)CSc1ccccc1 269982a_100000724800_100011218342 [0,1,0,0,0,1|2,0,0]=4 7359 B13R1.417 CCN(CF)CCc1ccccc1 269982a_100000741020_100015361967 [0,1,0,0,0,1|2,0,0]=4 7360 B13R1.417 CC[C@@H](CO)NCc1ccccc1 207a_100000709445_100015611070 [0,1,0,0,0,1|1,0,0]=3 7361 B13R1.417 CC[C@@H](CO)NCc1ccccc1 2230a_100000709445_100015291786 [0,1,0,0,0,1|1,0,0]=3 7362 B13R1.417 CC[C@@H](CO)NCc1ccccc1 270004a_100000709445_100015611070 [0,1,0,0,0,1|1,0,0]=3 7363 B13R1.417 CC[C@@H](CO)NCc1ccccn1 207a_100000709445_100000209966 [0,1,0,0,0,1|2,0,0]=4 7364 B13R1.417 CC[C@@H](CO)NCc1ccccn1 2230a_100000709445_100000721315 [0,1,0,0,0,1|2,0,0]=4 7365 B13R1.417 CC[C@@H](CO)NCc1ccccn1 270004a_100000709445_100000209966 [0,1,0,0,0,1|2,0,0]=4 7366 B13R1.417 CC[C@@H](CO)NCc1cccnc1 207a_100000709445_100000209961 [0,1,0,0,0,1|2,0,0]=4 7367 B13R1.417 CC[C@@H](CO)NCc1cccnc1 2230a_100000709445_100000741622 [0,1,0,0,0,1|2,0,0]=4 7368 B13R1.417 CC[C@@H](CO)NCc1cccnc1 270004a_100000709445_100000209961 [0,1,0,0,0,1|2,0,0]=4 7369 B13R1.417 CC[C@@H](CO)NCc1ccncc1 207a_100000709445_100000186114 [0,1,0,0,0,1|2,0,0]=4 7370 B13R1.417 CC[C@@H](CO)NCc1ccncc1 2230a_100000709445_100015193705 [0,1,0,0,0,1|2,0,0]=4 7371 B13R1.417 COC(CN)COc1ccccc1 34a_100000738913_200000210301 [0,1,0,0,0,1|1,0,0]=3 7372 B13R1.417 COC(CNc1ccccc1)OC 34a_100000106764_100000211822 [0,1,0,0,0,1|1,0,0]=3 7373 B13R1.417 COC(COc1ccccc1)OC 34a_100000210340_100000211822 [0,1,0,0,0,1|1,0,0]=3 7374 B13R1.417 COC(COc1ccccc1)OC 7a_100000210340_100000751394 [0,1,0,0,0,1|1,0,0]=3 7375 B13R1.417 COC(COc1cccnc1)OC 34a_100000210849_100000211822 [0,1,0,0,0,1|2,0,0]=4 7376 B13R1.417 COC(COc1cccnc1)OC 7a_100000210849_100000751394 [0,1,0,0,0,1|2,0,0]=4 7377 B13R1.417 COC(COc1ccncc1)OC 34a_100000212176_100000211822 [0,1,0,0,0,1|2,0,0]=4 7378 B13R1.417 COC(CSc1ccccc1)OC 62a_100000719477_100000751394 [0,1,0,0,0,1|1,0,0]=3 7379 B13R1.417 COC(CSc1ccccc1)OC 62a_100000751394_100000041952 [0,1,0,0,0,1|1,0,0]=3 7380 B13R1.417 COC(CSc1ccccn1)OC 62a_100000751394_100011216584 [0,1,0,0,0,1|2,0,0]=4 7381 B13R1.417 COC(CSc1ccccn1)OC 62a_100011216584_100000751394 [0,1,0,0,0,1|2,0,0]=4 7382 B13R1.417 COC(CSc1cccnc1)OC 62a_100000210063_100000751394 [0,1,0,0,0,1|2,0,0]=4 7383 B13R1.417 COC(CSc1cccnc1)OC 62a_100000751394_100000210063 [0,1,0,0,0,1|2,0,0]=4 7384 B13R1.417 COC(CSc1ccncc1)OC 62a_100000728582_100000751394 [0,1,0,0,0,1|2,0,0]=4 7385 B13R1.417 COC(CSc1ccncc1)OC 62a_100000751394_100000728582 [0,1,0,0,0,1|2,0,0]=4 7386 B13R1.417 ClCC(CCl)OCc1ccccc1 7a_100000737055_100000211182 [0,1,0,0,0,1|2,0,0]=4 7387 B13R1.417 FCC(CF)OCc1ccccc1 34a_100000032261_100015291786 [0,1,0,0,0,1|2,0,0]=4 7388 B13R1.417 FCC(CF)OCc1ccccc1 7a_100000032261_100000211182 [0,1,0,0,0,1|2,0,0]=4 7389 B13R1.417 FC[C@@H](CCl)OCc1ccccc1 34a_100015614560_100015291786 [0,1,0,0,0,1|2,0,0]=4 7390 B13R1.417 FC[C@@H](CCl)OCc1ccccc1 7a_100015614560_100000211182 [0,1,0,0,0,1|2,0,0]=4 7391 B13R1.417 NCC(CN)OCc1ccccc1 34a_100000031598_100015291786 [0,1,0,0,0,1|2,0,0]=4 7392 B13R1.417 OCC(CO)NCc1ccccc1 207a_100000759517_100015611070 [0,1,0,0,0,1|2,0,0]=4 7393 B13R1.417 OCC(CO)NCc1ccccc1 2230a_100000759517_100015291786 [0,1,0,0,0,1|2,0,0]=4 7394 B13R1.417 [13CH3]OC(CN)COc1ccccc1 34a_100000738913_200025704644 [0,1,0,0,0,1|1,0,0]=3 7395 B13R1.528 C#CC(C)NCc1ccccc1Br 2230a_100000707721_100000184730 [0,1,0,0,0,1|1,0,1]=4 7396 B13R1.528 C#CC(C)NCc1ccccc1Br 270004a_100000707721_100000211189 [0,1,0,0,0,1|1,0,1]=4 7397 B13R1.528 C#CC(C)NCc1ccccc1Br 34a_100000689332_200000035995 [0,1,0,0,0,1|1,0,1]=4 7398 B13R1.528 C#CC(C)NCc1ccccc1Br 34a_100000707721_100000184730 [0,1,0,0,0,1|1,0,1]=4 7399 B13R1.528 C#CC(C)NCc1ccccc1C 2230a_100000707721_100000211839 [0,1,0,0,0,1|1,0,1]=4 7400 B13R1.528 C#CC(C)NCc1ccccc1C 270004a_100000707721_100000211143 [0,1,0,0,0,1|1,0,1]=4 7401 B13R1.528 C#CC(C)NCc1ccccc1C 34a_100000174972_200000035995 [0,1,0,0,0,1|1,0,1]=4 7402 B13R1.528 C#CC(C)NCc1ccccc1C 34a_100000707721_100000211839 [0,1,0,0,0,1|1,0,1]=4 7403 B13R1.528 C#CC(C)NCc1ccccc1Cl 2230a_100000707721_100000187162 [0,1,0,0,0,1|1,0,1]=4 7404 B13R1.528 C#CC(C)NCc1ccccc1Cl 270004a_100000707721_100000210073 [0,1,0,0,0,1|1,0,1]=4 7405 B13R1.528 C#CC(C)NCc1ccccc1Cl 34a_100000174879_200000035995 [0,1,0,0,0,1|1,0,1]=4 7406 B13R1.528 C#CC(C)NCc1ccccc1Cl 34a_100000707721_100000187162 [0,1,0,0,0,1|1,0,1]=4 7407 B13R1.528 C#CC(C)NCc1ccccc1F 2230a_100000707721_100000211605 [0,1,0,0,0,1|1,0,1]=4 7408 B13R1.528 C#CC(C)NCc1ccccc1F 270004a_100000707721_100000210811 [0,1,0,0,0,1|1,0,1]=4 7409 B13R1.528 C#CC(C)NCc1ccccc1F 34a_100000174869_200000035995 [0,1,0,0,0,1|1,0,1]=4 7410 B13R1.528 C#CC(C)NCc1ccccc1F 34a_100000707721_100000211605 [0,1,0,0,0,1|1,0,1]=4 7411 B13R1.528 C#CC(C)NCc1ccccc1I 2230a_100000707721_100011215278 [0,1,0,0,0,1|1,0,1]=4 7412 B13R1.528 C#CC(C)NCc1ccccc1I 270004a_100000707721_100000010305 [0,1,0,0,0,1|1,0,1]=4 7413 B13R1.528 C#CC(C)NCc1ccccc1I 34a_100000707721_100011215278 [0,1,0,0,0,1|1,0,1]=4 7414 B13R1.528 C#CC(C)NCc1ccccc1O 34a_100000185550_200000035995 [0,1,0,0,0,1|1,0,1]=4 7415 B13R1.528 C#CC(C)OCc1ccccc1Br 34a_100000756307_200000035995 [0,1,0,0,0,1|1,0,1]=4 7416 B13R1.528 C#CC(C)OCc1ccccc1C 34a_100000698903_200000035995 [0,1,0,0,0,1|1,0,1]=4 7417 B13R1.528 C#CC(C)OCc1ccccc1Cl 34a_100000210847_200000035995 [0,1,0,0,0,1|1,0,1]=4 7418 B13R1.528 C#CC(C)OCc1ccccc1F 34a_100000211962_200000035995 [0,1,0,0,0,1|1,0,1]=4 7419 B13R1.528 C#CC(C)OCc1ccccc1I 34a_100000187465_200000035995 [0,1,0,0,0,1|1,0,1]=4 7420 B13R1.528 C#CC(C)OCc1ccccc1N 34a_100000212039_200000035995 [0,1,0,0,0,1|1,0,1]=4 7421 B13R1.528 C#CC(C)SCc1ccccc1Br 62a_200000035995_100000184730 [0,1,0,0,0,1|1,0,1]=4 7422 B13R1.528 C#CC(C)SCc1ccccc1C 62a_200000035995_100000211839 [0,1,0,0,0,1|1,0,1]=4 7423 B13R1.528 C#CC(C)SCc1ccccc1Cl 62a_200000035995_100000187162 [0,1,0,0,0,1|1,0,1]=4 7424 B13R1.528 C#CC(C)SCc1ccccc1F 62a_200000035995_100000211605 [0,1,0,0,0,1|1,0,1]=4 7425 B13R1.528 C#CC(C)SCc1ccccc1I 62a_200000035995_100011216222 [0,1,0,0,0,1|1,0,1]=4 7426 B13R1.528 C#C[C@@H](C)OCc1ccccc1Br 34a_100009815206_100000184730 [0,1,0,0,0,1|1,0,1]=4 7427 B13R1.528 C#C[C@@H](C)OCc1ccccc1Br 7a_100009815206_100000184730 [0,1,0,0,0,1|1,0,1]=4 7428 B13R1.528 C#C[C@@H](C)OCc1ccccc1C 34a_100009815206_100000211839 [0,1,0,0,0,1|1,0,1]=4 7429 B13R1.528 C#C[C@@H](C)OCc1ccccc1C 7a_100009815206_100000211839 [0,1,0,0,0,1|1,0,1]=4 7430 B13R1.528 C#C[C@@H](C)OCc1ccccc1Cl 34a_100009815206_100000187162 [0,1,0,0,0,1|1,0,1]=4 7431 B13R1.528 C#C[C@@H](C)OCc1ccccc1Cl 7a_100009815206_100000187162 [0,1,0,0,0,1|1,0,1]=4 7432 B13R1.528 C#C[C@@H](C)OCc1ccccc1F 34a_100009815206_100000211605 [0,1,0,0,0,1|1,0,1]=4 7433 B13R1.528 C#C[C@@H](C)OCc1ccccc1F 7a_100009815206_100000211605 [0,1,0,0,0,1|1,0,1]=4 7434 B13R1.528 C#C[C@@H](C)OCc1ccccc1I 34a_100009815206_100011215278 [0,1,0,0,0,1|1,0,1]=4 7435 B13R1.528 C#C[C@@H](C)OCc1ccccc1I 7a_100009815206_100011215278 [0,1,0,0,0,1|1,0,1]=4 7436 B13R1.528 C=CC(C)OCc1ccccc1Br 34a_100000695699_100000184730 [0,1,0,0,0,1|1,0,1]=4 7437 B13R1.528 C=CC(C)OCc1ccccc1C 34a_100000695699_100000211839 [0,1,0,0,0,1|1,0,1]=4 7438 B13R1.528 C=CC(C)OCc1ccccc1Cl 34a_100000695699_100000187162 [0,1,0,0,0,1|1,0,1]=4 7439 B13R1.528 C=CC(C)OCc1ccccc1F 34a_100000695699_100000211605 [0,1,0,0,0,1|1,0,1]=4 7440 B13R1.528 C=CC(C)OCc1ccccc1I 34a_100000695699_100011215278 [0,1,0,0,0,1|1,0,1]=4 7441 B13R1.528 C=CC(C)SCc1ccccc1Br 62a_100011215867_100000184730 [0,1,0,0,0,1|1,0,1]=4 7442 B13R1.528 C=CC(C)SCc1ccccc1C 62a_100011215867_100000211839 [0,1,0,0,0,1|1,0,1]=4 7443 B13R1.528 C=CC(C)SCc1ccccc1Cl 62a_100011215867_100000187162 [0,1,0,0,0,1|1,0,1]=4 7444 B13R1.528 C=CC(C)SCc1ccccc1F 62a_100011215867_100000211605 [0,1,0,0,0,1|1,0,1]=4 7445 B13R1.528 C=CC(C)SCc1ccccc1I 62a_100011215867_100011216222 [0,1,0,0,0,1|1,0,1]=4 7446 B13R1.528 CC(C#N)NCc1ccccc1Br 2230a_100000689332_100000184139 [0,1,0,0,0,1|2,0,0]=4 7447 B13R1.528 CC(C#N)NCc1ccccc1Br 2230a_100000737613_100000184730 [0,1,0,0,0,1|2,0,0]=4 7448 B13R1.528 CC(C#N)NCc1ccccc1Cl 2230a_100000174879_100000184139 [0,1,0,0,0,1|2,0,0]=4 7449 B13R1.528 CC(C#N)NCc1ccccc1Cl 2230a_100000737613_100000187162 [0,1,0,0,0,1|2,0,0]=4 7450 B13R1.528 CC(C#N)NCc1ccccc1F 2230a_100000737613_100000211605 [0,1,0,0,0,1|2,0,0]=4 7451 B13R1.528 CC(C#N)NCc1ccccc1I 2230a_100000737613_100011215278 [0,1,0,0,0,1|2,0,0]=4 7452 B13R1.528 CC(C#N)OCc1ccccc1Br 34a_100011218135_100000184730 [0,1,0,0,0,1|2,0,0]=4 7453 B13R1.528 CC(C#N)OCc1ccccc1Br 7a_100000756307_100000703298 [0,1,0,0,0,1|2,0,0]=4 7454 B13R1.528 CC(C#N)OCc1ccccc1Cl 34a_100011218135_100000187162 [0,1,0,0,0,1|2,0,0]=4 7455 B13R1.528 CC(C#N)OCc1ccccc1Cl 7a_100000210847_100000703298 [0,1,0,0,0,1|2,0,0]=4 7456 B13R1.528 CC(C#N)OCc1ccccc1F 34a_100011218135_100000211605 [0,1,0,0,0,1|2,0,0]=4 7457 B13R1.528 CC(C#N)OCc1ccccc1F 7a_100000211962_100000703298 [0,1,0,0,0,1|2,0,0]=4 7458 B13R1.528 CC(C#N)OCc1ccccc1I 34a_100011218135_100011215278 [0,1,0,0,0,1|2,0,0]=4 7459 B13R1.528 CC(C#N)OCc1ccccc1I 7a_100000187465_100000703298 [0,1,0,0,0,1|2,0,0]=4 7460 B13R1.528 CC(C#N)SCc1ccccc1Br 62a_100000184730_100000703298 [0,1,0,0,0,1|2,0,0]=4 7461 B13R1.528 CC(C#N)SCc1ccccc1Br 62a_100000703298_100000184730 [0,1,0,0,0,1|2,0,0]=4 7462 B13R1.528 CC(C#N)SCc1ccccc1Cl 62a_100000187162_100000703298 [0,1,0,0,0,1|2,0,0]=4 7463 B13R1.528 CC(C#N)SCc1ccccc1Cl 62a_100000703298_100000187162 [0,1,0,0,0,1|2,0,0]=4 7464 B13R1.528 CC(C#N)SCc1ccccc1F 62a_100000211605_100000703298 [0,1,0,0,0,1|2,0,0]=4 7465 B13R1.528 CC(C#N)SCc1ccccc1F 62a_100000703298_100000211605 [0,1,0,0,0,1|2,0,0]=4 7466 B13R1.528 CC(C#N)SCc1ccccc1I 62a_100000703298_100011216222 [0,1,0,0,0,1|2,0,0]=4 7467 B13R1.528 CC(C#N)SCc1ccccc1I 62a_100011216222_100000703298 [0,1,0,0,0,1|2,0,0]=4 7468 B13R1.528 CC(CF)OCc1ccccc1Br 34a_100016041109_100000184730 [0,1,0,0,0,1|2,0,0]=4 7469 B13R1.528 CC(CF)OCc1ccccc1Br 7a_100016041109_100000184730 [0,1,0,0,0,1|2,0,0]=4 7470 B13R1.528 CC(CF)OCc1ccccc1Cl 34a_100016041109_100000187162 [0,1,0,0,0,1|2,0,0]=4 7471 B13R1.528 CC(CF)OCc1ccccc1Cl 7a_100016041109_100000187162 [0,1,0,0,0,1|2,0,0]=4 7472 B13R1.528 CC(CF)OCc1ccccc1F 34a_100016041109_100000211605 [0,1,0,0,0,1|2,0,0]=4 7473 B13R1.528 CC(CF)OCc1ccccc1F 7a_100016041109_100000211605 [0,1,0,0,0,1|2,0,0]=4 7474 B13R1.528 CC(CF)OCc1ccccc1I 34a_100016041109_100011215278 [0,1,0,0,0,1|2,0,0]=4 7475 B13R1.528 CC(CF)OCc1ccccc1I 7a_100016041109_100011215278 [0,1,0,0,0,1|2,0,0]=4 7476 B13R1.528 CC(CN)OCc1ccccc1Br 34a_100000210904_100000184730 [0,1,0,0,0,1|2,0,0]=4 7477 B13R1.528 CC(CN)OCc1ccccc1Cl 34a_100000210904_100000187162 [0,1,0,0,0,1|2,0,0]=4 7478 B13R1.528 CC(CN)OCc1ccccc1F 34a_100000210904_100000211605 [0,1,0,0,0,1|2,0,0]=4 7479 B13R1.528 CC(CN)OCc1ccccc1I 34a_100000210904_100011215278 [0,1,0,0,0,1|2,0,0]=4 7480 B13R1.528 CC(CO)NCc1ccccc1Br 2230a_100000689332_100012180447 [0,1,0,0,0,1|2,0,0]=4 7481 B13R1.528 CC(CO)NCc1ccccc1Br 34a_100000689332_100012180447 [0,1,0,0,0,1|2,0,0]=4 7482 B13R1.528 CC(CO)NCc1ccccc1Cl 2230a_100000174879_100012180447 [0,1,0,0,0,1|2,0,0]=4 7483 B13R1.528 CC(CO)NCc1ccccc1Cl 34a_100000174879_100012180447 [0,1,0,0,0,1|2,0,0]=4 7484 B13R1.528 CC(CO)NCc1ccccc1F 34a_100000174869_100012180447 [0,1,0,0,0,1|2,0,0]=4 7485 B13R1.528 CC(CO)NCc1ccccc1O 34a_100000185550_100012180447 [0,1,0,0,0,1|2,0,0]=4 7486 B13R1.528 CC(CO)OCc1ccccc1Br 34a_100000756307_100012180447 [0,1,0,0,0,1|2,0,0]=4 7487 B13R1.528 CC(CO)OCc1ccccc1Br 7a_100000756307_100012180447 [0,1,0,0,0,1|2,0,0]=4 7488 B13R1.528 CC(CO)OCc1ccccc1Cl 34a_100000210847_100012180447 [0,1,0,0,0,1|2,0,0]=4 7489 B13R1.528 CC(CO)OCc1ccccc1Cl 7a_100000210847_100012180447 [0,1,0,0,0,1|2,0,0]=4 7490 B13R1.528 CC(CO)OCc1ccccc1F 34a_100000211962_100012180447 [0,1,0,0,0,1|2,0,0]=4 7491 B13R1.528 CC(CO)OCc1ccccc1F 7a_100000211962_100012180447 [0,1,0,0,0,1|2,0,0]=4 7492 B13R1.528 CC(CO)OCc1ccccc1I 34a_100000187465_100012180447 [0,1,0,0,0,1|2,0,0]=4 7493 B13R1.528 CC(CO)OCc1ccccc1I 7a_100000187465_100012180447 [0,1,0,0,0,1|2,0,0]=4 7494 B13R1.528 CC(CO)OCc1ccccc1N 34a_100000212039_100012180447 [0,1,0,0,0,1|2,0,0]=4 7495 B13R1.528 CC(CO)SCc1ccccc1Br 62a_100012180447_100000184730 [0,1,0,0,0,1|2,0,0]=4 7496 B13R1.528 CC(CO)SCc1ccccc1Cl 62a_100012180447_100000187162 [0,1,0,0,0,1|2,0,0]=4 7497 B13R1.528 CC(CO)SCc1ccccc1F 62a_100012180447_100000211605 [0,1,0,0,0,1|2,0,0]=4 7498 B13R1.528 CC(CO)SCc1ccccc1I 62a_100012180447_100011216222 [0,1,0,0,0,1|2,0,0]=4 7499 B13R1.528 CCC(C)CNc1ccccc1Br 34a_100000210017_100000748023 [0,1,0,0,0,1|1,0,0]=3 7500 B13R1.528 CCC(C)CNc1ccccc1C 34a_100015192222_100000748023 [0,1,0,0,0,1|1,0,0]=3 7501 B13R1.528 CCC(C)CNc1ccccc1Cl 34a_100000185783_100000748023 [0,1,0,0,0,1|1,0,0]=3 7502 B13R1.528 CCC(C)CNc1ccccc1F 34a_100000210422_100000748023 [0,1,0,0,0,1|1,0,0]=3 7503 B13R1.528 CCC(C)CNc1ccccc1I 34a_100000210053_100000748023 [0,1,0,0,0,1|1,0,0]=3 7504 B13R1.528 CCC(C)CNc1ccccc1O 34a_100000185747_100000748023 [0,1,0,0,0,1|1,0,0]=3 7505 B13R1.528 CCC(C)CNc1ccncc1Br 27a_100020588543_100000726257 [0,1,0,0,0,1|2,0,0]=4 7506 B13R1.528 CCC(C)CNc1ccncc1C 27a_100020588543_100000765111 [0,1,0,0,0,1|2,0,0]=4 7507 B13R1.528 CCC(C)CNc1ccncc1F 27a_100020588543_100000035921 [0,1,0,0,0,1|2,0,0]=4 7508 B13R1.528 CCC(C)CNc1ncccc1Br 27a_100020588543_100000696092 [0,1,0,0,0,1|2,0,0]=4 7509 B13R1.528 CCC(C)COc1cccc[n+]1[O-] 7a_100000211761_100000748023 [0,1,0,0,0,1|2,0,0]=4 7510 B13R1.528 CCC(C)COc1ccccc1Br 34a_100000181306_100000748023 [0,1,0,0,0,1|1,0,0]=3 7511 B13R1.528 CCC(C)COc1ccccc1Br 7a_100000181306_100000748023 [0,1,0,0,0,1|1,0,0]=3 7512 B13R1.528 CCC(C)COc1ccccc1C 34a_100000210338_100000748023 [0,1,0,0,0,1|1,0,0]=3 7513 B13R1.528 CCC(C)COc1ccccc1C 7a_100000210338_100000748023 [0,1,0,0,0,1|1,0,0]=3 7514 B13R1.528 CCC(C)COc1ccccc1Cl 34a_100000210172_100000748023 [0,1,0,0,0,1|1,0,0]=3 7515 B13R1.528 CCC(C)COc1ccccc1Cl 7a_100000210172_100000748023 [0,1,0,0,0,1|1,0,0]=3 7516 B13R1.528 CCC(C)COc1ccccc1F 34a_100000210171_100000748023 [0,1,0,0,0,1|1,0,0]=3 7517 B13R1.528 CCC(C)COc1ccccc1F 7a_100000210171_100000748023 [0,1,0,0,0,1|1,0,0]=3 7518 B13R1.528 CCC(C)COc1ccccc1I 34a_100000739446_100000748023 [0,1,0,0,0,1|1,0,0]=3 7519 B13R1.528 CCC(C)COc1ccccc1I 7a_100000739446_100000748023 [0,1,0,0,0,1|1,0,0]=3 7520 B13R1.528 CCC(C)COc1ccccc1N 34a_100000185747_100000748023 [0,1,0,0,0,1|1,0,0]=3 7521 B13R1.528 CCC(C)COc1ccccc1N 7a_100000185747_100000748023 [0,1,0,0,0,1|1,0,0]=3 7522 B13R1.528 CCC(C)COc1cccnc1Br 34a_100000744436_100000748023 [0,1,0,0,0,1|2,0,0]=4 7523 B13R1.528 CCC(C)COc1cccnc1Br 7a_100000744436_100000748023 [0,1,0,0,0,1|2,0,0]=4 7524 B13R1.528 CCC(C)COc1cccnc1C 34a_100000745507_100000748023 [0,1,0,0,0,1|2,0,0]=4 7525 B13R1.528 CCC(C)COc1cccnc1C 7a_100000745507_100000748023 [0,1,0,0,0,1|2,0,0]=4 7526 B13R1.528 CCC(C)COc1cccnc1Cl 34a_100000757616_100000748023 [0,1,0,0,0,1|2,0,0]=4 7527 B13R1.528 CCC(C)COc1cccnc1Cl 7a_100000757616_100000748023 [0,1,0,0,0,1|2,0,0]=4 7528 B13R1.528 CCC(C)COc1cccnc1F 34a_100000061740_100000748023 [0,1,0,0,0,1|2,0,0]=4 7529 B13R1.528 CCC(C)COc1cccnc1F 7a_100000061740_100000748023 [0,1,0,0,0,1|2,0,0]=4 7530 B13R1.528 CCC(C)COc1cccnc1I 34a_100000034122_100000748023 [0,1,0,0,0,1|2,0,0]=4 7531 B13R1.528 CCC(C)COc1cccnc1I 7a_100000034122_100000748023 [0,1,0,0,0,1|2,0,0]=4 7532 B13R1.528 CCC(C)COc1cccnc1N 34a_100000211975_100000748023 [0,1,0,0,0,1|2,0,0]=4 7533 B13R1.528 CCC(C)COc1cccnc1N 7a_100000211975_100000748023 [0,1,0,0,0,1|2,0,0]=4 7534 B13R1.528 CCC(C)COc1cccoc1=O 34a_100000077404_100000748023 [0,1,0,0,0,1|2,0,0]=4 7535 B13R1.528 CCC(C)COc1cccoc1=O 7a_100000077404_100000748023 [0,1,0,0,0,1|2,0,0]=4 7536 B13R1.528 CCC(C)COc1ccncc1Br 34a_100011996408_100000748023 [0,1,0,0,0,1|2,0,0]=4 7537 B13R1.528 CCC(C)COc1ccncc1C 34a_100000694293_100000748023 [0,1,0,0,0,1|2,0,0]=4 7538 B13R1.528 CCC(C)COc1ccncc1Cl 34a_100011997054_100000748023 [0,1,0,0,0,1|2,0,0]=4 7539 B13R1.528 CCC(C)COc1ccncc1F 34a_200000081243_100000748023 [0,1,0,0,0,1|2,0,0]=4 7540 B13R1.528 CCC(C)COc1cnccc1C 34a_100011997053_100000748023 [0,1,0,0,0,1|2,0,0]=4 7541 B13R1.528 CCC(C)COc1cnccc1C 7a_100011997053_100000748023 [0,1,0,0,0,1|2,0,0]=4 7542 B13R1.528 CCC(C)COc1cnccc1Cl 34a_100011996695_100000748023 [0,1,0,0,0,1|2,0,0]=4 7543 B13R1.528 CCC(C)COc1cnccc1I 34a_100000050107_100000748023 [0,1,0,0,0,1|2,0,0]=4 7544 B13R1.528 CCC(C)COc1cnccc1N 34a_100000753702_100000748023 [0,1,0,0,0,1|2,0,0]=4 7545 B13R1.528 CCC(C)COc1coccc1=O 34a_100000060831_100000748023 [0,1,0,0,0,1|2,0,0]=4 7546 B13R1.528 CCC(C)COc1ncccc1Cl 34a_100011290957_100000748023 [0,1,0,0,0,1|2,0,0]=4 7547 B13R1.528 CCC(C)COc1ncccc1F 34a_100011219419_100000748023 [0,1,0,0,0,1|2,0,0]=4 7548 B13R1.528 CCC(C)COc1ncccc1N 34a_100000746358_100000748023 [0,1,0,0,0,1|2,0,0]=4 7549 B13R1.528 CCC(C)CSc1c[nH]ccc1=O 62a_100000748023_100009998708 [0,1,0,0,0,1|2,0,0]=4 7550 B13R1.528 CCC(C)CSc1c[nH]ccc1=O 62a_100009998708_100000748023 [0,1,0,0,0,1|2,0,0]=4 7551 B13R1.528 CCC(C)CSc1c[nH]ccc1=S 62a_100000748023_200012280681 [0,1,0,0,0,1|2,0,0]=4 7552 B13R1.528 CCC(C)CSc1c[nH]ccc1=S 62a_200012280681_100000748023 [0,1,0,0,0,1|2,0,0]=4 7553 B13R1.528 CCC(C)CSc1cccc[n+]1C 62a_100000748023_100000212160 [0,1,0,0,0,1|2,0,0]=4 7554 B13R1.528 CCC(C)CSc1cccc[n+]1[O-] 62a_100000748023_200000042595 [0,1,0,0,0,1|2,0,0]=4 7555 B13R1.528 CCC(C)CSc1ccccc1Br 62a_100000695589_100000748023 [0,1,0,0,0,1|1,0,0]=3 7556 B13R1.528 CCC(C)CSc1ccccc1Br 62a_100000748023_100000695589 [0,1,0,0,0,1|1,0,0]=3 7557 B13R1.528 CCC(C)CSc1ccccc1C 62a_100000210755_100000748023 [0,1,0,0,0,1|1,0,0]=3 7558 B13R1.528 CCC(C)CSc1ccccc1C 62a_100000748023_100000210755 [0,1,0,0,0,1|1,0,0]=3 7559 B13R1.528 CCC(C)CSc1ccccc1Cl 62a_100000748023_100000764095 [0,1,0,0,0,1|1,0,0]=3 7560 B13R1.528 CCC(C)CSc1ccccc1Cl 62a_100000764095_100000748023 [0,1,0,0,0,1|1,0,0]=3 7561 B13R1.528 CCC(C)CSc1ccccc1F 62a_100000748023_100011215700 [0,1,0,0,0,1|1,0,0]=3 7562 B13R1.528 CCC(C)CSc1ccccc1F 62a_100011215700_100000748023 [0,1,0,0,0,1|1,0,0]=3 7563 B13R1.528 CCC(C)CSc1ccccc1N 62a_100000210017_100000748023 [0,1,0,0,0,1|1,0,0]=3 7564 B13R1.528 CCC(C)CSc1ccccc1N 62a_100000748023_100000210017 [0,1,0,0,0,1|1,0,0]=3 7565 B13R1.528 CCC(C)CSc1ccccc1O 62a_100000739446_100000748023 [0,1,0,0,0,1|1,0,0]=3 7566 B13R1.528 CCC(C)CSc1ccccc1O 62a_100000748023_100000739446 [0,1,0,0,0,1|1,0,0]=3 7567 B13R1.528 CCC(C)CSc1cccnc1Br 62a_100000748023_100010202626 [0,1,0,0,0,1|2,0,0]=4 7568 B13R1.528 CCC(C)CSc1cccnc1Br 62a_100010202626_100000748023 [0,1,0,0,0,1|2,0,0]=4 7569 B13R1.528 CCC(C)CSc1cccnc1C 62a_100000748023_100000751574 [0,1,0,0,0,1|2,0,0]=4 7570 B13R1.528 CCC(C)CSc1cccnc1C 62a_100000751574_100000748023 [0,1,0,0,0,1|2,0,0]=4 7571 B13R1.528 CCC(C)CSc1cccnc1Cl 62a_100000036424_100000748023 [0,1,0,0,0,1|2,0,0]=4 7572 B13R1.528 CCC(C)CSc1cccnc1Cl 62a_100000748023_100000036424 [0,1,0,0,0,1|2,0,0]=4 7573 B13R1.528 CCC(C)CSc1cccnc1F 62a_100000748023_100009816115 [0,1,0,0,0,1|2,0,0]=4 7574 B13R1.528 CCC(C)CSc1cccnc1F 62a_100009816115_100000748023 [0,1,0,0,0,1|2,0,0]=4 7575 B13R1.528 CCC(C)CSc1cccnc1N 62a_100000045569_100000748023 [0,1,0,0,0,1|2,0,0]=4 7576 B13R1.528 CCC(C)CSc1cccnc1N 62a_100000748023_100000045569 [0,1,0,0,0,1|2,0,0]=4 7577 B13R1.528 CCC(C)CSc1cccnc1O 62a_100000748023_100000760158 [0,1,0,0,0,1|2,0,0]=4 7578 B13R1.528 CCC(C)CSc1cccnc1O 62a_100000760158_100000748023 [0,1,0,0,0,1|2,0,0]=4 7579 B13R1.528 CCC(C)CSc1ccncc1Br 62a_100000726257_100000748023 [0,1,0,0,0,1|2,0,0]=4 7580 B13R1.528 CCC(C)CSc1ccncc1Br 62a_100000748023_100000726257 [0,1,0,0,0,1|2,0,0]=4 7581 B13R1.528 CCC(C)CSc1ccncc1C 62a_100000748023_100000765111 [0,1,0,0,0,1|2,0,0]=4 7582 B13R1.528 CCC(C)CSc1ccncc1C 62a_100000765111_100000748023 [0,1,0,0,0,1|2,0,0]=4 7583 B13R1.528 CCC(C)CSc1ccncc1Cl 62a_100000708259_100000748023 [0,1,0,0,0,1|2,0,0]=4 7584 B13R1.528 CCC(C)CSc1ccncc1Cl 62a_100000748023_100000708259 [0,1,0,0,0,1|2,0,0]=4 7585 B13R1.528 CCC(C)CSc1ccncc1F 62a_100000047030_100000748023 [0,1,0,0,0,1|2,0,0]=4 7586 B13R1.528 CCC(C)CSc1ccncc1F 62a_100000748023_100000047030 [0,1,0,0,0,1|2,0,0]=4 7587 B13R1.528 CCC(C)CSc1ccncc1N 62a_100000748023_100000756074 [0,1,0,0,0,1|2,0,0]=4 7588 B13R1.528 CCC(C)CSc1ccncc1N 62a_100000756074_100000748023 [0,1,0,0,0,1|2,0,0]=4 7589 B13R1.528 CCC(C)CSc1ccncc1O 62a_100000748023_100009817591 [0,1,0,0,0,1|2,0,0]=4 7590 B13R1.528 CCC(C)CSc1ccncc1O 62a_100009817591_100000748023 [0,1,0,0,0,1|2,0,0]=4 7591 B13R1.528 CCC(C)CSc1cnccc1Br 62a_100000748023_100010138639 [0,1,0,0,0,1|2,0,0]=4 7592 B13R1.528 CCC(C)CSc1cnccc1Br 62a_100010138639_100000748023 [0,1,0,0,0,1|2,0,0]=4 7593 B13R1.528 CCC(C)CSc1cnccc1C 62a_100000748023_100000761580 [0,1,0,0,0,1|2,0,0]=4 7594 B13R1.528 CCC(C)CSc1cnccc1C 62a_100000761580_100000748023 [0,1,0,0,0,1|2,0,0]=4 7595 B13R1.528 CCC(C)CSc1cnccc1Cl 62a_100000748023_100009995489 [0,1,0,0,0,1|2,0,0]=4 7596 B13R1.528 CCC(C)CSc1cnccc1Cl 62a_100009995489_100000748023 [0,1,0,0,0,1|2,0,0]=4 7597 B13R1.528 CCC(C)CSc1cnccc1F 62a_100000748023_100009820683 [0,1,0,0,0,1|2,0,0]=4 7598 B13R1.528 CCC(C)CSc1cnccc1F 62a_100009820683_100000748023 [0,1,0,0,0,1|2,0,0]=4 7599 B13R1.528 CCC(C)CSc1cnccc1N 62a_100000047001_100000748023 [0,1,0,0,0,1|2,0,0]=4 7600 B13R1.528 CCC(C)CSc1cnccc1N 62a_100000748023_100000047001 [0,1,0,0,0,1|2,0,0]=4 7601 B13R1.528 CCC(C)CSc1ncccc1Br 62a_100000696092_100000748023 [0,1,0,0,0,1|2,0,0]=4 7602 B13R1.528 CCC(C)CSc1ncccc1Br 62a_100000748023_100000696092 [0,1,0,0,0,1|2,0,0]=4 7603 B13R1.528 CCC(C)CSc1ncccc1C 62a_100000748023_100000751373 [0,1,0,0,0,1|2,0,0]=4 7604 B13R1.528 CCC(C)CSc1ncccc1C 62a_100000751373_100000748023 [0,1,0,0,0,1|2,0,0]=4 7605 B13R1.528 CCC(C)CSc1ncccc1Cl 62a_100000748023_100011356963 [0,1,0,0,0,1|2,0,0]=4 7606 B13R1.528 CCC(C)CSc1ncccc1Cl 62a_100011356963_100000748023 [0,1,0,0,0,1|2,0,0]=4 7607 B13R1.528 CCC(C)CSc1ncccc1F 62a_100000685392_100000748023 [0,1,0,0,0,1|2,0,0]=4 7608 B13R1.528 CCC(C)CSc1ncccc1F 62a_100000748023_100000685392 [0,1,0,0,0,1|2,0,0]=4 7609 B13R1.528 CCC(C)CSc1ncccc1N 62a_100000688686_100000748023 [0,1,0,0,0,1|2,0,0]=4 7610 B13R1.528 CCC(C)CSc1ncccc1N 62a_100000748023_100000688686 [0,1,0,0,0,1|2,0,0]=4 7611 B13R1.528 CCC(C)CSc1ncccc1O 62a_100000034122_100000748023 [0,1,0,0,0,1|2,0,0]=4 7612 B13R1.528 CCC(C)CSc1ncccc1O 62a_100000748023_100000034122 [0,1,0,0,0,1|2,0,0]=4 7613 B13R1.528 CCC(C)NCc1ccccc1Br 207a_100000209981_100000211189 [0,1,0,0,0,1|1,0,0]=3 7614 B13R1.528 CCC(C)NCc1ccccc1Br 2230a_100000209981_100000184730 [0,1,0,0,0,1|1,0,0]=3 7615 B13R1.528 CCC(C)NCc1ccccc1Br 2230a_100000689332_100000758301 [0,1,0,0,0,1|1,0,0]=3 7616 B13R1.528 CCC(C)NCc1ccccc1Br 270004a_100000209981_100000211189 [0,1,0,0,0,1|1,0,0]=3 7617 B13R1.528 CCC(C)NCc1ccccc1Br 34a_100000689332_100011215416 [0,1,0,0,0,1|1,0,0]=3 7618 B13R1.528 CCC(C)NCc1ccccc1C 207a_100000209981_100000211143 [0,1,0,0,0,1|1,0,0]=3 7619 B13R1.528 CCC(C)NCc1ccccc1C 2230a_100000209981_100000211839 [0,1,0,0,0,1|1,0,0]=3 7620 B13R1.528 CCC(C)NCc1ccccc1C 270004a_100000209981_100000211143 [0,1,0,0,0,1|1,0,0]=3 7621 B13R1.528 CCC(C)NCc1ccccc1C 34a_100000174972_100011215416 [0,1,0,0,0,1|1,0,0]=3 7622 B13R1.528 CCC(C)NCc1ccccc1Cl 207a_100000209981_100000210073 [0,1,0,0,0,1|1,0,0]=3 7623 B13R1.528 CCC(C)NCc1ccccc1Cl 2230a_100000174879_100000758301 [0,1,0,0,0,1|1,0,0]=3 7624 B13R1.528 CCC(C)NCc1ccccc1Cl 2230a_100000209981_100000187162 [0,1,0,0,0,1|1,0,0]=3 7625 B13R1.528 CCC(C)NCc1ccccc1Cl 270004a_100000209981_100000210073 [0,1,0,0,0,1|1,0,0]=3 7626 B13R1.528 CCC(C)NCc1ccccc1Cl 34a_100000174879_100011215416 [0,1,0,0,0,1|1,0,0]=3 7627 B13R1.528 CCC(C)NCc1ccccc1F 207a_100000209981_100000210811 [0,1,0,0,0,1|1,0,0]=3 7628 B13R1.528 CCC(C)NCc1ccccc1F 2230a_100000209981_100000211605 [0,1,0,0,0,1|1,0,0]=3 7629 B13R1.528 CCC(C)NCc1ccccc1F 270004a_100000209981_100000210811 [0,1,0,0,0,1|1,0,0]=3 7630 B13R1.528 CCC(C)NCc1ccccc1F 34a_100000174869_100011215416 [0,1,0,0,0,1|1,0,0]=3 7631 B13R1.528 CCC(C)NCc1ccccc1I 207a_100000209981_100000010305 [0,1,0,0,0,1|1,0,0]=3 7632 B13R1.528 CCC(C)NCc1ccccc1I 2230a_100000209981_100011215278 [0,1,0,0,0,1|1,0,0]=3 7633 B13R1.528 CCC(C)NCc1ccccc1I 270004a_100000209981_100000010305 [0,1,0,0,0,1|1,0,0]=3 7634 B13R1.528 CCC(C)NCc1ccccc1O 271570a_203496583355_100015185290 [0,1,0,0,0,1|1,0,0]=3 7635 B13R1.528 CCC(C)NCc1ccccc1O 34a_100000185550_100011215416 [0,1,0,0,0,1|1,0,0]=3 7636 B13R1.528 CCC(C)NCc1cccnc1Br 2230a_100000209981_100010140945 [0,1,0,0,0,1|2,0,0]=4 7637 B13R1.528 CCC(C)NCc1cccnc1Br 2230a_100009818023_100000758301 [0,1,0,0,0,1|2,0,0]=4 7638 B13R1.528 CCC(C)NCc1cccnc1Br 34a_100009818023_100011215416 [0,1,0,0,0,1|2,0,0]=4 7639 B13R1.528 CCC(C)NCc1cccnc1C 207a_100000209981_100000751968 [0,1,0,0,0,1|2,0,0]=4 7640 B13R1.528 CCC(C)NCc1cccnc1C 2230a_100000209981_100000732876 [0,1,0,0,0,1|2,0,0]=4 7641 B13R1.528 CCC(C)NCc1cccnc1C 270004a_100000209981_100000751968 [0,1,0,0,0,1|2,0,0]=4 7642 B13R1.528 CCC(C)NCc1cccnc1Cl 2230a_100000209981_100000045678 [0,1,0,0,0,1|2,0,0]=4 7643 B13R1.528 CCC(C)NCc1cccnc1Cl 2230a_100015189234_100000758301 [0,1,0,0,0,1|2,0,0]=4 7644 B13R1.528 CCC(C)NCc1cccnc1Cl 34a_100015189234_100011215416 [0,1,0,0,0,1|2,0,0]=4 7645 B13R1.528 CCC(C)NCc1cccnc1F 2230a_100000209981_100000099810 [0,1,0,0,0,1|2,0,0]=4 7646 B13R1.528 CCC(C)NCc1cccnc1F 34a_100000724633_100011215416 [0,1,0,0,0,1|2,0,0]=4 7647 B13R1.528 CCC(C)NCc1cccnc1O 207a_100000209981_100011998315 [0,1,0,0,0,1|2,0,0]=4 7648 B13R1.528 CCC(C)NCc1cccnc1O 270004a_100000209981_100011998315 [0,1,0,0,0,1|2,0,0]=4 7649 B13R1.528 CCC(C)NCc1ccncc1Br 270004a_100000209981_100000755692 [0,1,0,0,0,1|2,0,0]=4 7650 B13R1.528 CCC(C)NCc1ccncc1C 2230a_100000209981_100020672808 [0,1,0,0,0,1|2,0,0]=4 7651 B13R1.528 CCC(C)NCc1ccncc1Cl 207a_100000209981_100011934409 [0,1,0,0,0,1|2,0,0]=4 7652 B13R1.528 CCC(C)NCc1ccncc1Cl 2230a_100000209981_100000763264 [0,1,0,0,0,1|2,0,0]=4 7653 B13R1.528 CCC(C)NCc1ccncc1Cl 270004a_100000209981_100011934409 [0,1,0,0,0,1|2,0,0]=4 7654 B13R1.528 CCC(C)NCc1ccncc1F 34a_100011935246_100011215416 [0,1,0,0,0,1|2,0,0]=4 7655 B13R1.528 CCC(C)NCc1cnccc1Br 270004a_100000209981_100009816821 [0,1,0,0,0,1|2,0,0]=4 7656 B13R1.528 CCC(C)NCc1cnccc1C 207a_100000209981_100000685662 [0,1,0,0,0,1|2,0,0]=4 7657 B13R1.528 CCC(C)NCc1cnccc1C 2230a_100000209981_100000690890 [0,1,0,0,0,1|2,0,0]=4 7658 B13R1.528 CCC(C)NCc1cnccc1C 270004a_100000209981_100000685662 [0,1,0,0,0,1|2,0,0]=4 7659 B13R1.528 CCC(C)NCc1cnccc1Cl 270004a_100000209981_100000050567 [0,1,0,0,0,1|2,0,0]=4 7660 B13R1.528 CCC(C)NCc1ncccc1Br 207a_100000209981_100011934733 [0,1,0,0,0,1|2,0,0]=4 7661 B13R1.528 CCC(C)NCc1ncccc1Br 2230a_100000209981_100025702911 [0,1,0,0,0,1|2,0,0]=4 7662 B13R1.528 CCC(C)NCc1ncccc1Br 270004a_100000209981_100011934733 [0,1,0,0,0,1|2,0,0]=4 7663 B13R1.528 CCC(C)NCc1ncccc1C 207a_100000209981_100000698913 [0,1,0,0,0,1|2,0,0]=4 7664 B13R1.528 CCC(C)NCc1ncccc1C 2230a_100000209981_100000696600 [0,1,0,0,0,1|2,0,0]=4 7665 B13R1.528 CCC(C)NCc1ncccc1C 270004a_100000209981_100000698913 [0,1,0,0,0,1|2,0,0]=4 7666 B13R1.528 CCC(C)NCc1ncccc1C 34a_100011223789_100011215416 [0,1,0,0,0,1|2,0,0]=4 7667 B13R1.528 CCC(C)NCc1ncccc1Cl 207a_100000209981_100012001307 [0,1,0,0,0,1|2,0,0]=4 7668 B13R1.528 CCC(C)NCc1ncccc1Cl 2230a_100000209981_100000099807 [0,1,0,0,0,1|2,0,0]=4 7669 B13R1.528 CCC(C)NCc1ncccc1Cl 2230a_100015189233_100000758301 [0,1,0,0,0,1|2,0,0]=4 7670 B13R1.528 CCC(C)NCc1ncccc1Cl 270004a_100000209981_100012001307 [0,1,0,0,0,1|2,0,0]=4 7671 B13R1.528 CCC(C)NCc1ncccc1F 207a_100000209981_100011934734 [0,1,0,0,0,1|2,0,0]=4 7672 B13R1.528 CCC(C)NCc1ncccc1F 2230a_100000209981_100000104219 [0,1,0,0,0,1|2,0,0]=4 7673 B13R1.528 CCC(C)NCc1ncccc1F 270004a_100000209981_100011934734 [0,1,0,0,0,1|2,0,0]=4 7674 B13R1.528 CCC(C)NCc1ncccc1F 34a_100000690088_100011215416 [0,1,0,0,0,1|2,0,0]=4 7675 B13R1.528 CCC(C)OCc1ccccc1Br 34a_100000756307_100011215416 [0,1,0,0,0,1|1,0,0]=3 7676 B13R1.528 CCC(C)OCc1ccccc1Br 7a_100000210228_100000184730 [0,1,0,0,0,1|1,0,0]=3 7677 B13R1.528 CCC(C)OCc1ccccc1Br 7a_100000756307_100000758301 [0,1,0,0,0,1|1,0,0]=3 7678 B13R1.528 CCC(C)OCc1ccccc1C 34a_100000698903_100011215416 [0,1,0,0,0,1|1,0,0]=3 7679 B13R1.528 CCC(C)OCc1ccccc1C 7a_100000210228_100000211839 [0,1,0,0,0,1|1,0,0]=3 7680 B13R1.528 CCC(C)OCc1ccccc1C 7a_100000698903_100000758301 [0,1,0,0,0,1|1,0,0]=3 7681 B13R1.528 CCC(C)OCc1ccccc1Cl 34a_100000210847_100011215416 [0,1,0,0,0,1|1,0,0]=3 7682 B13R1.528 CCC(C)OCc1ccccc1Cl 7a_100000210228_100000187162 [0,1,0,0,0,1|1,0,0]=3 7683 B13R1.528 CCC(C)OCc1ccccc1Cl 7a_100000210847_100000758301 [0,1,0,0,0,1|1,0,0]=3 7684 B13R1.528 CCC(C)OCc1ccccc1F 34a_100000211962_100011215416 [0,1,0,0,0,1|1,0,0]=3 7685 B13R1.528 CCC(C)OCc1ccccc1F 7a_100000210228_100000211605 [0,1,0,0,0,1|1,0,0]=3 7686 B13R1.528 CCC(C)OCc1ccccc1F 7a_100000211962_100000758301 [0,1,0,0,0,1|1,0,0]=3 7687 B13R1.528 CCC(C)OCc1ccccc1I 34a_100000187465_100011215416 [0,1,0,0,0,1|1,0,0]=3 7688 B13R1.528 CCC(C)OCc1ccccc1I 7a_100000187465_100000758301 [0,1,0,0,0,1|1,0,0]=3 7689 B13R1.528 CCC(C)OCc1ccccc1I 7a_100000210228_100011215278 [0,1,0,0,0,1|1,0,0]=3 7690 B13R1.528 CCC(C)OCc1ccccc1N 34a_100000212039_100011215416 [0,1,0,0,0,1|1,0,0]=3 7691 B13R1.528 CCC(C)OCc1cccnc1Br 34a_100000719692_100011215416 [0,1,0,0,0,1|2,0,0]=4 7692 B13R1.528 CCC(C)OCc1cccnc1Br 7a_100000210228_100010140945 [0,1,0,0,0,1|2,0,0]=4 7693 B13R1.528 CCC(C)OCc1cccnc1Br 7a_100000719692_100000758301 [0,1,0,0,0,1|2,0,0]=4 7694 B13R1.528 CCC(C)OCc1cccnc1C 34a_100000729262_100011215416 [0,1,0,0,0,1|2,0,0]=4 7695 B13R1.528 CCC(C)OCc1cccnc1C 7a_100000210228_100000732876 [0,1,0,0,0,1|2,0,0]=4 7696 B13R1.528 CCC(C)OCc1cccnc1C 7a_100000729262_100000758301 [0,1,0,0,0,1|2,0,0]=4 7697 B13R1.528 CCC(C)OCc1cccnc1Cl 34a_100000748726_100011215416 [0,1,0,0,0,1|2,0,0]=4 7698 B13R1.528 CCC(C)OCc1cccnc1Cl 7a_100000210228_100000045678 [0,1,0,0,0,1|2,0,0]=4 7699 B13R1.528 CCC(C)OCc1cccnc1Cl 7a_100000748726_100000758301 [0,1,0,0,0,1|2,0,0]=4 7700 B13R1.528 CCC(C)OCc1cccnc1F 34a_100000079888_100011215416 [0,1,0,0,0,1|2,0,0]=4 7701 B13R1.528 CCC(C)OCc1cccnc1F 7a_100000079888_100000758301 [0,1,0,0,0,1|2,0,0]=4 7702 B13R1.528 CCC(C)OCc1cccnc1F 7a_100000210228_100000099810 [0,1,0,0,0,1|2,0,0]=4 7703 B13R1.528 CCC(C)OCc1ccncc1C 34a_100011997032_100011215416 [0,1,0,0,0,1|2,0,0]=4 7704 B13R1.528 CCC(C)OCc1ccncc1C 7a_100000210228_100020672808 [0,1,0,0,0,1|2,0,0]=4 7705 B13R1.528 CCC(C)OCc1ccncc1Cl 7a_100000210228_100000763264 [0,1,0,0,0,1|2,0,0]=4 7706 B13R1.528 CCC(C)OCc1ccncc1F 34a_100012172863_100011215416 [0,1,0,0,0,1|2,0,0]=4 7707 B13R1.528 CCC(C)OCc1cnccc1C 34a_100011996381_100011215416 [0,1,0,0,0,1|2,0,0]=4 7708 B13R1.528 CCC(C)OCc1cnccc1C 7a_100000210228_100000690890 [0,1,0,0,0,1|2,0,0]=4 7709 B13R1.528 CCC(C)OCc1cnccc1Cl 34a_100000117392_100011215416 [0,1,0,0,0,1|2,0,0]=4 7710 B13R1.528 CCC(C)OCc1ncccc1Br 34a_100011996772_100011215416 [0,1,0,0,0,1|2,0,0]=4 7711 B13R1.528 CCC(C)OCc1ncccc1Br 7a_100000210228_100025702911 [0,1,0,0,0,1|2,0,0]=4 7712 B13R1.528 CCC(C)OCc1ncccc1C 34a_100000698912_100011215416 [0,1,0,0,0,1|2,0,0]=4 7713 B13R1.528 CCC(C)OCc1ncccc1C 7a_100000210228_100000696600 [0,1,0,0,0,1|2,0,0]=4 7714 B13R1.528 CCC(C)OCc1ncccc1Cl 34a_100012002383_100011215416 [0,1,0,0,0,1|2,0,0]=4 7715 B13R1.528 CCC(C)OCc1ncccc1Cl 7a_100000210228_100000099807 [0,1,0,0,0,1|2,0,0]=4 7716 B13R1.528 CCC(C)OCc1ncccc1F 34a_100011934865_100011215416 [0,1,0,0,0,1|2,0,0]=4 7717 B13R1.528 CCC(C)OCc1ncccc1F 7a_100000210228_100000104219 [0,1,0,0,0,1|2,0,0]=4 7718 B13R1.528 CCC(C)OCc1ncccc1N 34a_114873767017_100011215416 [0,1,0,0,0,1|2,0,0]=4 7719 B13R1.528 CCC(C)OCc1ncccc1O 7a_100000210228_200020655725 [0,1,0,0,0,1|2,0,0]=4 7720 B13R1.528 CCC(C)SCc1ccccc1Br 62a_100000184730_100000758301 [0,1,0,0,0,1|1,0,0]=3 7721 B13R1.528 CCC(C)SCc1ccccc1Br 62a_100000758301_100000184730 [0,1,0,0,0,1|1,0,0]=3 7722 B13R1.528 CCC(C)SCc1ccccc1C 62a_100000211839_100000758301 [0,1,0,0,0,1|1,0,0]=3 7723 B13R1.528 CCC(C)SCc1ccccc1C 62a_100000758301_100000211839 [0,1,0,0,0,1|1,0,0]=3 7724 B13R1.528 CCC(C)SCc1ccccc1Cl 62a_100000187162_100000758301 [0,1,0,0,0,1|1,0,0]=3 7725 B13R1.528 CCC(C)SCc1ccccc1Cl 62a_100000758301_100000187162 [0,1,0,0,0,1|1,0,0]=3 7726 B13R1.528 CCC(C)SCc1ccccc1F 62a_100000211605_100000758301 [0,1,0,0,0,1|1,0,0]=3 7727 B13R1.528 CCC(C)SCc1ccccc1F 62a_100000758301_100000211605 [0,1,0,0,0,1|1,0,0]=3 7728 B13R1.528 CCC(C)SCc1ccccc1I 62a_100000758301_100011216222 [0,1,0,0,0,1|1,0,0]=3 7729 B13R1.528 CCC(C)SCc1ccccc1I 62a_100011216222_100000758301 [0,1,0,0,0,1|1,0,0]=3 7730 B13R1.528 CCC(C)SCc1cccnc1Br 62a_100000758301_100010140945 [0,1,0,0,0,1|2,0,0]=4 7731 B13R1.528 CCC(C)SCc1cccnc1Br 62a_100010140945_100000758301 [0,1,0,0,0,1|2,0,0]=4 7732 B13R1.528 CCC(C)SCc1cccnc1C 62a_100000732876_100000758301 [0,1,0,0,0,1|2,0,0]=4 7733 B13R1.528 CCC(C)SCc1cccnc1C 62a_100000758301_100000732876 [0,1,0,0,0,1|2,0,0]=4 7734 B13R1.528 CCC(C)SCc1cccnc1Cl 62a_100000045678_100000758301 [0,1,0,0,0,1|2,0,0]=4 7735 B13R1.528 CCC(C)SCc1cccnc1Cl 62a_100000758301_100000045678 [0,1,0,0,0,1|2,0,0]=4 7736 B13R1.528 CCC(C)SCc1cccnc1F 62a_100000099810_100000758301 [0,1,0,0,0,1|2,0,0]=4 7737 B13R1.528 CCC(C)SCc1cccnc1F 62a_100000758301_100000099810 [0,1,0,0,0,1|2,0,0]=4 7738 B13R1.528 CCC(C)SCc1ccncc1C 62a_100000758301_100020672808 [0,1,0,0,0,1|2,0,0]=4 7739 B13R1.528 CCC(C)SCc1ccncc1C 62a_100020672808_100000758301 [0,1,0,0,0,1|2,0,0]=4 7740 B13R1.528 CCC(C)SCc1ccncc1Cl 62a_100000758301_100000763264 [0,1,0,0,0,1|2,0,0]=4 7741 B13R1.528 CCC(C)SCc1ccncc1Cl 62a_100000763264_100000758301 [0,1,0,0,0,1|2,0,0]=4 7742 B13R1.528 CCC(C)SCc1cnccc1C 62a_100000690890_100000758301 [0,1,0,0,0,1|2,0,0]=4 7743 B13R1.528 CCC(C)SCc1cnccc1C 62a_100000758301_100000690890 [0,1,0,0,0,1|2,0,0]=4 7744 B13R1.528 CCC(C)SCc1ncccc1Br 62a_100000758301_100025702911 [0,1,0,0,0,1|2,0,0]=4 7745 B13R1.528 CCC(C)SCc1ncccc1Br 62a_100025702911_100000758301 [0,1,0,0,0,1|2,0,0]=4 7746 B13R1.528 CCC(C)SCc1ncccc1C 62a_100000696600_100000758301 [0,1,0,0,0,1|2,0,0]=4 7747 B13R1.528 CCC(C)SCc1ncccc1C 62a_100000758301_100000696600 [0,1,0,0,0,1|2,0,0]=4 7748 B13R1.528 CCC(C)SCc1ncccc1Cl 62a_100000099807_100000758301 [0,1,0,0,0,1|2,0,0]=4 7749 B13R1.528 CCC(C)SCc1ncccc1Cl 62a_100000758301_100000099807 [0,1,0,0,0,1|2,0,0]=4 7750 B13R1.528 CCC(C)SCc1ncccc1F 62a_100000104219_100000758301 [0,1,0,0,0,1|2,0,0]=4 7751 B13R1.528 CCC(C)SCc1ncccc1F 62a_100000758301_100000104219 [0,1,0,0,0,1|2,0,0]=4 7752 B13R1.528 CCC(C)SCc1ncccc1O 62a_100000758301_200020655725 [0,1,0,0,0,1|2,0,0]=4 7753 B13R1.528 CCC(C)SCc1ncccc1O 62a_200020655725_100000758301 [0,1,0,0,0,1|2,0,0]=4 7754 B13R1.528 CCC(O)CNc1ccccc1Br 34a_100000210017_100011218378 [0,1,0,0,0,1|2,0,0]=4 7755 B13R1.528 CCC(O)CNc1ccccc1C 34a_100015192222_100011218378 [0,1,0,0,0,1|2,0,0]=4 7756 B13R1.528 CCC(O)CNc1ccccc1Cl 34a_100000185783_100011218378 [0,1,0,0,0,1|2,0,0]=4 7757 B13R1.528 CCC(O)CNc1ccccc1F 34a_100000210422_100011218378 [0,1,0,0,0,1|2,0,0]=4 7758 B13R1.528 CCC(O)CNc1ccccc1I 34a_100000210053_100011218378 [0,1,0,0,0,1|2,0,0]=4 7759 B13R1.528 CCC(O)CNc1ccccc1O 34a_100000185747_100011218378 [0,1,0,0,0,1|2,0,0]=4 7760 B13R1.528 CCC(O)COc1ccccc1Br 34a_100000181306_100011218378 [0,1,0,0,0,1|2,0,0]=4 7761 B13R1.528 CCC(O)COc1ccccc1Br 7a_100000181306_100011218378 [0,1,0,0,0,1|2,0,0]=4 7762 B13R1.528 CCC(O)COc1ccccc1C 34a_100000210338_100011218378 [0,1,0,0,0,1|2,0,0]=4 7763 B13R1.528 CCC(O)COc1ccccc1C 7a_100000210338_100011218378 [0,1,0,0,0,1|2,0,0]=4 7764 B13R1.528 CCC(O)COc1ccccc1Cl 34a_100000210172_100011218378 [0,1,0,0,0,1|2,0,0]=4 7765 B13R1.528 CCC(O)COc1ccccc1Cl 7a_100000210172_100011218378 [0,1,0,0,0,1|2,0,0]=4 7766 B13R1.528 CCC(O)COc1ccccc1F 34a_100000210171_100011218378 [0,1,0,0,0,1|2,0,0]=4 7767 B13R1.528 CCC(O)COc1ccccc1F 7a_100000210171_100011218378 [0,1,0,0,0,1|2,0,0]=4 7768 B13R1.528 CCC(O)COc1ccccc1I 34a_100000739446_100011218378 [0,1,0,0,0,1|2,0,0]=4 7769 B13R1.528 CCC(O)COc1ccccc1I 7a_100000739446_100011218378 [0,1,0,0,0,1|2,0,0]=4 7770 B13R1.528 CCC(O)COc1ccccc1N 34a_100000185747_100011218378 [0,1,0,0,0,1|2,0,0]=4 7771 B13R1.528 CCC(O)COc1ccccc1N 7a_100000185747_100011218378 [0,1,0,0,0,1|2,0,0]=4 7772 B13R1.528 CCC(O)CSc1ccccc1Br 62a_100000695589_100011218378 [0,1,0,0,0,1|2,0,0]=4 7773 B13R1.528 CCC(O)CSc1ccccc1Br 62a_100011218378_100000695589 [0,1,0,0,0,1|2,0,0]=4 7774 B13R1.528 CCC(O)CSc1ccccc1C 62a_100000210755_100011218378 [0,1,0,0,0,1|2,0,0]=4 7775 B13R1.528 CCC(O)CSc1ccccc1C 62a_100011218378_100000210755 [0,1,0,0,0,1|2,0,0]=4 7776 B13R1.528 CCC(O)CSc1ccccc1Cl 62a_100000764095_100011218378 [0,1,0,0,0,1|2,0,0]=4 7777 B13R1.528 CCC(O)CSc1ccccc1Cl 62a_100011218378_100000764095 [0,1,0,0,0,1|2,0,0]=4 7778 B13R1.528 CCC(O)CSc1ccccc1F 62a_100011215700_100011218378 [0,1,0,0,0,1|2,0,0]=4 7779 B13R1.528 CCC(O)CSc1ccccc1F 62a_100011218378_100011215700 [0,1,0,0,0,1|2,0,0]=4 7780 B13R1.528 CCC(O)CSc1ccccc1N 62a_100000210017_100011218378 [0,1,0,0,0,1|2,0,0]=4 7781 B13R1.528 CCC(O)CSc1ccccc1N 62a_100011218378_100000210017 [0,1,0,0,0,1|2,0,0]=4 7782 B13R1.528 CCC(O)CSc1ccccc1O 62a_100000739446_100011218378 [0,1,0,0,0,1|2,0,0]=4 7783 B13R1.528 CCC(O)CSc1ccccc1O 62a_100011218378_100000739446 [0,1,0,0,0,1|2,0,0]=4 7784 B13R1.528 CCN(C)CCc1ccccc1Br 2230a_100000225621_100012161201 [0,1,0,0,0,1|2,0,0]=4 7785 B13R1.528 CCN(C)CCc1ccccc1Br 269982a_100000225621_100012161201 [0,1,0,0,0,1|2,0,0]=4 7786 B13R1.528 CCN(C)CCc1ccccc1C 2230a_100000225621_100011713688 [0,1,0,0,0,1|2,0,0]=4 7787 B13R1.528 CCN(C)CCc1ccccc1C 269982a_100000225621_100011713688 [0,1,0,0,0,1|2,0,0]=4 7788 B13R1.528 CCN(C)CCc1ccccc1Cl 2230a_100000225621_100011713703 [0,1,0,0,0,1|2,0,0]=4 7789 B13R1.528 CCN(C)CCc1ccccc1Cl 269982a_100000225621_100011713703 [0,1,0,0,0,1|2,0,0]=4 7790 B13R1.528 CCN(C)CCc1ccccc1F 2230a_100000225621_100011713696 [0,1,0,0,0,1|2,0,0]=4 7791 B13R1.528 CCN(C)CCc1ccccc1F 2230a_100000232559_100000210202 [0,1,0,0,0,1|2,0,0]=4 7792 B13R1.528 CCN(C)CCc1ccccc1F 269982a_100000225621_100011713696 [0,1,0,0,0,1|2,0,0]=4 7793 B13R1.528 CCN(C)CCc1ccccc1F 269982a_100000232559_100000204670 [0,1,0,0,0,1|2,0,0]=4 7794 B13R1.528 CCN(C)CCc1ccccc1F 34a_100000232559_100000210202 [0,1,0,0,0,1|2,0,0]=4 7795 B13R1.528 CCN(C)CCc1ccccc1O 269982a_100000225621_100000722297 [0,1,0,0,0,1|2,0,0]=4 7796 B13R1.528 CC[C@H](C)CNc1ccccc1Br 34a_100000210017_100009816398 [0,1,0,0,0,1|1,0,0]=3 7797 B13R1.528 CC[C@H](C)CNc1ccccc1C 34a_100015192222_100009816398 [0,1,0,0,0,1|1,0,0]=3 7798 B13R1.528 CC[C@H](C)CNc1ccccc1Cl 34a_100000185783_100009816398 [0,1,0,0,0,1|1,0,0]=3 7799 B13R1.528 CC[C@H](C)CNc1ccccc1F 34a_100000210422_100009816398 [0,1,0,0,0,1|1,0,0]=3 7800 B13R1.528 CC[C@H](C)CNc1ccccc1I 34a_100000210053_100009816398 [0,1,0,0,0,1|1,0,0]=3 7801 B13R1.528 CC[C@H](C)CNc1ccccc1O 34a_100000185747_100009816398 [0,1,0,0,0,1|1,0,0]=3 7802 B13R1.528 CC[C@H](C)COc1cccc[n+]1[O-] 7a_100000211761_100009816398 [0,1,0,0,0,1|2,0,0]=4 7803 B13R1.528 CC[C@H](C)COc1ccccc1Br 34a_100000181306_100009816398 [0,1,0,0,0,1|1,0,0]=3 7804 B13R1.528 CC[C@H](C)COc1ccccc1Br 7a_100000181306_100009816398 [0,1,0,0,0,1|1,0,0]=3 7805 B13R1.528 CC[C@H](C)COc1ccccc1C 34a_100000210338_100009816398 [0,1,0,0,0,1|1,0,0]=3 7806 B13R1.528 CC[C@H](C)COc1ccccc1C 7a_100000210338_100009816398 [0,1,0,0,0,1|1,0,0]=3 7807 B13R1.528 CC[C@H](C)COc1ccccc1Cl 34a_100000210172_100009816398 [0,1,0,0,0,1|1,0,0]=3 7808 B13R1.528 CC[C@H](C)COc1ccccc1Cl 7a_100000210172_100009816398 [0,1,0,0,0,1|1,0,0]=3 7809 B13R1.528 CC[C@H](C)COc1ccccc1F 34a_100000210171_100009816398 [0,1,0,0,0,1|1,0,0]=3 7810 B13R1.528 CC[C@H](C)COc1ccccc1F 7a_100000210171_100009816398 [0,1,0,0,0,1|1,0,0]=3 7811 B13R1.528 CC[C@H](C)COc1ccccc1I 34a_100000739446_100009816398 [0,1,0,0,0,1|1,0,0]=3 7812 B13R1.528 CC[C@H](C)COc1ccccc1I 7a_100000739446_100009816398 [0,1,0,0,0,1|1,0,0]=3 7813 B13R1.528 CC[C@H](C)COc1ccccc1N 34a_100000185747_100009816398 [0,1,0,0,0,1|1,0,0]=3 7814 B13R1.528 CC[C@H](C)COc1ccccc1N 7a_100000185747_100009816398 [0,1,0,0,0,1|1,0,0]=3 7815 B13R1.528 CC[C@H](C)COc1cccnc1Br 34a_100000744436_100009816398 [0,1,0,0,0,1|2,0,0]=4 7816 B13R1.528 CC[C@H](C)COc1cccnc1Br 7a_100000744436_100009816398 [0,1,0,0,0,1|2,0,0]=4 7817 B13R1.528 CC[C@H](C)COc1cccnc1C 34a_100000745507_100009816398 [0,1,0,0,0,1|2,0,0]=4 7818 B13R1.528 CC[C@H](C)COc1cccnc1C 7a_100000745507_100009816398 [0,1,0,0,0,1|2,0,0]=4 7819 B13R1.528 CC[C@H](C)COc1cccnc1Cl 34a_100000757616_100009816398 [0,1,0,0,0,1|2,0,0]=4 7820 B13R1.528 CC[C@H](C)COc1cccnc1Cl 7a_100000757616_100009816398 [0,1,0,0,0,1|2,0,0]=4 7821 B13R1.528 CC[C@H](C)COc1cccnc1F 34a_100000061740_100009816398 [0,1,0,0,0,1|2,0,0]=4 7822 B13R1.528 CC[C@H](C)COc1cccnc1F 7a_100000061740_100009816398 [0,1,0,0,0,1|2,0,0]=4 7823 B13R1.528 CC[C@H](C)COc1cccnc1I 34a_100000034122_100009816398 [0,1,0,0,0,1|2,0,0]=4 7824 B13R1.528 CC[C@H](C)COc1cccnc1I 7a_100000034122_100009816398 [0,1,0,0,0,1|2,0,0]=4 7825 B13R1.528 CC[C@H](C)COc1cccnc1N 34a_100000211975_100009816398 [0,1,0,0,0,1|2,0,0]=4 7826 B13R1.528 CC[C@H](C)COc1cccnc1N 7a_100000211975_100009816398 [0,1,0,0,0,1|2,0,0]=4 7827 B13R1.528 CC[C@H](C)COc1cccoc1=O 34a_100000077404_100009816398 [0,1,0,0,0,1|2,0,0]=4 7828 B13R1.528 CC[C@H](C)COc1cccoc1=O 7a_100000077404_100009816398 [0,1,0,0,0,1|2,0,0]=4 7829 B13R1.528 CC[C@H](C)COc1ccncc1Br 34a_100011996408_100009816398 [0,1,0,0,0,1|2,0,0]=4 7830 B13R1.528 CC[C@H](C)COc1ccncc1C 34a_100000694293_100009816398 [0,1,0,0,0,1|2,0,0]=4 7831 B13R1.528 CC[C@H](C)COc1ccncc1Cl 34a_100011997054_100009816398 [0,1,0,0,0,1|2,0,0]=4 7832 B13R1.528 CC[C@H](C)COc1ccncc1F 34a_200000081243_100009816398 [0,1,0,0,0,1|2,0,0]=4 7833 B13R1.528 CC[C@H](C)COc1cnccc1C 34a_100011997053_100009816398 [0,1,0,0,0,1|2,0,0]=4 7834 B13R1.528 CC[C@H](C)COc1cnccc1C 7a_100011997053_100009816398 [0,1,0,0,0,1|2,0,0]=4 7835 B13R1.528 CC[C@H](C)COc1cnccc1Cl 34a_100011996695_100009816398 [0,1,0,0,0,1|2,0,0]=4 7836 B13R1.528 CC[C@H](C)COc1cnccc1I 34a_100000050107_100009816398 [0,1,0,0,0,1|2,0,0]=4 7837 B13R1.528 CC[C@H](C)COc1cnccc1N 34a_100000753702_100009816398 [0,1,0,0,0,1|2,0,0]=4 7838 B13R1.528 CC[C@H](C)COc1coccc1=O 34a_100000060831_100009816398 [0,1,0,0,0,1|2,0,0]=4 7839 B13R1.528 CC[C@H](C)COc1ncccc1Cl 34a_100011290957_100009816398 [0,1,0,0,0,1|2,0,0]=4 7840 B13R1.528 CC[C@H](C)COc1ncccc1F 34a_100011219419_100009816398 [0,1,0,0,0,1|2,0,0]=4 7841 B13R1.528 CC[C@H](C)COc1ncccc1N 34a_100000746358_100009816398 [0,1,0,0,0,1|2,0,0]=4 7842 B13R1.528 CC[C@H](C)CSc1c[nH]ccc1=O 62a_100009816398_100009998708 [0,1,0,0,0,1|2,0,0]=4 7843 B13R1.528 CC[C@H](C)CSc1c[nH]ccc1=O 62a_100009998708_100009816398 [0,1,0,0,0,1|2,0,0]=4 7844 B13R1.528 CC[C@H](C)CSc1c[nH]ccc1=S 62a_100009816398_200012280681 [0,1,0,0,0,1|2,0,0]=4 7845 B13R1.528 CC[C@H](C)CSc1c[nH]ccc1=S 62a_200012280681_100009816398 [0,1,0,0,0,1|2,0,0]=4 7846 B13R1.528 CC[C@H](C)CSc1cccc[n+]1C 62a_100009816398_100000212160 [0,1,0,0,0,1|2,0,0]=4 7847 B13R1.528 CC[C@H](C)CSc1cccc[n+]1[O-] 62a_100009816398_200000042595 [0,1,0,0,0,1|2,0,0]=4 7848 B13R1.528 CC[C@H](C)CSc1ccccc1Br 62a_100000695589_100009816398 [0,1,0,0,0,1|1,0,0]=3 7849 B13R1.528 CC[C@H](C)CSc1ccccc1Br 62a_100009816398_100000695589 [0,1,0,0,0,1|1,0,0]=3 7850 B13R1.528 CC[C@H](C)CSc1ccccc1C 62a_100000210755_100009816398 [0,1,0,0,0,1|1,0,0]=3 7851 B13R1.528 CC[C@H](C)CSc1ccccc1C 62a_100009816398_100000210755 [0,1,0,0,0,1|1,0,0]=3 7852 B13R1.528 CC[C@H](C)CSc1ccccc1Cl 62a_100000764095_100009816398 [0,1,0,0,0,1|1,0,0]=3 7853 B13R1.528 CC[C@H](C)CSc1ccccc1Cl 62a_100009816398_100000764095 [0,1,0,0,0,1|1,0,0]=3 7854 B13R1.528 CC[C@H](C)CSc1ccccc1F 62a_100009816398_100011215700 [0,1,0,0,0,1|1,0,0]=3 7855 B13R1.528 CC[C@H](C)CSc1ccccc1F 62a_100011215700_100009816398 [0,1,0,0,0,1|1,0,0]=3 7856 B13R1.528 CC[C@H](C)CSc1ccccc1N 62a_100000210017_100009816398 [0,1,0,0,0,1|1,0,0]=3 7857 B13R1.528 CC[C@H](C)CSc1ccccc1N 62a_100009816398_100000210017 [0,1,0,0,0,1|1,0,0]=3 7858 B13R1.528 CC[C@H](C)CSc1ccccc1O 62a_100000739446_100009816398 [0,1,0,0,0,1|1,0,0]=3 7859 B13R1.528 CC[C@H](C)CSc1ccccc1O 62a_100009816398_100000739446 [0,1,0,0,0,1|1,0,0]=3 7860 B13R1.528 CC[C@H](C)CSc1cccnc1Br 62a_100009816398_100010202626 [0,1,0,0,0,1|2,0,0]=4 7861 B13R1.528 CC[C@H](C)CSc1cccnc1Br 62a_100010202626_100009816398 [0,1,0,0,0,1|2,0,0]=4 7862 B13R1.528 CC[C@H](C)CSc1cccnc1C 62a_100000751574_100009816398 [0,1,0,0,0,1|2,0,0]=4 7863 B13R1.528 CC[C@H](C)CSc1cccnc1C 62a_100009816398_100000751574 [0,1,0,0,0,1|2,0,0]=4 7864 B13R1.528 CC[C@H](C)CSc1cccnc1Cl 62a_100000036424_100009816398 [0,1,0,0,0,1|2,0,0]=4 7865 B13R1.528 CC[C@H](C)CSc1cccnc1Cl 62a_100009816398_100000036424 [0,1,0,0,0,1|2,0,0]=4 7866 B13R1.528 CC[C@H](C)CSc1cccnc1F 62a_100009816115_100009816398 [0,1,0,0,0,1|2,0,0]=4 7867 B13R1.528 CC[C@H](C)CSc1cccnc1F 62a_100009816398_100009816115 [0,1,0,0,0,1|2,0,0]=4 7868 B13R1.528 CC[C@H](C)CSc1cccnc1N 62a_100000045569_100009816398 [0,1,0,0,0,1|2,0,0]=4 7869 B13R1.528 CC[C@H](C)CSc1cccnc1N 62a_100009816398_100000045569 [0,1,0,0,0,1|2,0,0]=4 7870 B13R1.528 CC[C@H](C)CSc1cccnc1O 62a_100000760158_100009816398 [0,1,0,0,0,1|2,0,0]=4 7871 B13R1.528 CC[C@H](C)CSc1cccnc1O 62a_100009816398_100000760158 [0,1,0,0,0,1|2,0,0]=4 7872 B13R1.528 CC[C@H](C)CSc1ccncc1Br 62a_100000726257_100009816398 [0,1,0,0,0,1|2,0,0]=4 7873 B13R1.528 CC[C@H](C)CSc1ccncc1Br 62a_100009816398_100000726257 [0,1,0,0,0,1|2,0,0]=4 7874 B13R1.528 CC[C@H](C)CSc1ccncc1C 62a_100000765111_100009816398 [0,1,0,0,0,1|2,0,0]=4 7875 B13R1.528 CC[C@H](C)CSc1ccncc1C 62a_100009816398_100000765111 [0,1,0,0,0,1|2,0,0]=4 7876 B13R1.528 CC[C@H](C)CSc1ccncc1Cl 62a_100000708259_100009816398 [0,1,0,0,0,1|2,0,0]=4 7877 B13R1.528 CC[C@H](C)CSc1ccncc1Cl 62a_100009816398_100000708259 [0,1,0,0,0,1|2,0,0]=4 7878 B13R1.528 CC[C@H](C)CSc1ccncc1F 62a_100000047030_100009816398 [0,1,0,0,0,1|2,0,0]=4 7879 B13R1.528 CC[C@H](C)CSc1ccncc1F 62a_100009816398_100000047030 [0,1,0,0,0,1|2,0,0]=4 7880 B13R1.528 CC[C@H](C)CSc1ccncc1N 62a_100000756074_100009816398 [0,1,0,0,0,1|2,0,0]=4 7881 B13R1.528 CC[C@H](C)CSc1ccncc1N 62a_100009816398_100000756074 [0,1,0,0,0,1|2,0,0]=4 7882 B13R1.528 CC[C@H](C)CSc1ccncc1O 62a_100009816398_100009817591 [0,1,0,0,0,1|2,0,0]=4 7883 B13R1.528 CC[C@H](C)CSc1ccncc1O 62a_100009817591_100009816398 [0,1,0,0,0,1|2,0,0]=4 7884 B13R1.528 CC[C@H](C)CSc1cnccc1Br 62a_100009816398_100010138639 [0,1,0,0,0,1|2,0,0]=4 7885 B13R1.528 CC[C@H](C)CSc1cnccc1Br 62a_100010138639_100009816398 [0,1,0,0,0,1|2,0,0]=4 7886 B13R1.528 CC[C@H](C)CSc1cnccc1C 62a_100000761580_100009816398 [0,1,0,0,0,1|2,0,0]=4 7887 B13R1.528 CC[C@H](C)CSc1cnccc1C 62a_100009816398_100000761580 [0,1,0,0,0,1|2,0,0]=4 7888 B13R1.528 CC[C@H](C)CSc1cnccc1Cl 62a_100009816398_100009995489 [0,1,0,0,0,1|2,0,0]=4 7889 B13R1.528 CC[C@H](C)CSc1cnccc1Cl 62a_100009995489_100009816398 [0,1,0,0,0,1|2,0,0]=4 7890 B13R1.528 CC[C@H](C)CSc1cnccc1F 62a_100009816398_100009820683 [0,1,0,0,0,1|2,0,0]=4 7891 B13R1.528 CC[C@H](C)CSc1cnccc1F 62a_100009820683_100009816398 [0,1,0,0,0,1|2,0,0]=4 7892 B13R1.528 CC[C@H](C)CSc1cnccc1N 62a_100000047001_100009816398 [0,1,0,0,0,1|2,0,0]=4 7893 B13R1.528 CC[C@H](C)CSc1cnccc1N 62a_100009816398_100000047001 [0,1,0,0,0,1|2,0,0]=4 7894 B13R1.528 CC[C@H](C)CSc1ncccc1Br 62a_100000696092_100009816398 [0,1,0,0,0,1|2,0,0]=4 7895 B13R1.528 CC[C@H](C)CSc1ncccc1Br 62a_100009816398_100000696092 [0,1,0,0,0,1|2,0,0]=4 7896 B13R1.528 CC[C@H](C)CSc1ncccc1C 62a_100000751373_100009816398 [0,1,0,0,0,1|2,0,0]=4 7897 B13R1.528 CC[C@H](C)CSc1ncccc1C 62a_100009816398_100000751373 [0,1,0,0,0,1|2,0,0]=4 7898 B13R1.528 CC[C@H](C)CSc1ncccc1Cl 62a_100009816398_100011356963 [0,1,0,0,0,1|2,0,0]=4 7899 B13R1.528 CC[C@H](C)CSc1ncccc1Cl 62a_100011356963_100009816398 [0,1,0,0,0,1|2,0,0]=4 7900 B13R1.528 CC[C@H](C)CSc1ncccc1F 62a_100000685392_100009816398 [0,1,0,0,0,1|2,0,0]=4 7901 B13R1.528 CC[C@H](C)CSc1ncccc1F 62a_100009816398_100000685392 [0,1,0,0,0,1|2,0,0]=4 7902 B13R1.528 CC[C@H](C)CSc1ncccc1N 62a_100000688686_100009816398 [0,1,0,0,0,1|2,0,0]=4 7903 B13R1.528 CC[C@H](C)CSc1ncccc1N 62a_100009816398_100000688686 [0,1,0,0,0,1|2,0,0]=4 7904 B13R1.528 CC[C@H](C)CSc1ncccc1O 62a_100000034122_100009816398 [0,1,0,0,0,1|2,0,0]=4 7905 B13R1.528 CC[C@H](C)CSc1ncccc1O 62a_100009816398_100000034122 [0,1,0,0,0,1|2,0,0]=4 7906 B13R1.528 CNC(=O)CCc1ccccc1Br 11a_106832991635_100000740810 [0,1,0,0,0,1|1,0,1]=4 7907 B13R1.528 CNC(=O)CCc1ccccc1Br 1626a_100102657272_100000740810 [0,1,0,0,0,1|1,0,1]=4 7908 B13R1.528 CNC(=O)CCc1ccccc1Br 240690a_100102657272_100000740810 [0,1,0,0,0,1|1,0,1]=4 7909 B13R1.528 CNC(=O)CCc1ccccc1Br 527a_100102657272_100000740810 [0,1,0,0,0,1|1,0,1]=4 7910 B13R1.528 CNC(=O)CCc1ccccc1C 11a_106832991635_100000748742 [0,1,0,0,0,1|1,0,1]=4 7911 B13R1.528 CNC(=O)CCc1ccccc1C 1626a_100102657272_100000748742 [0,1,0,0,0,1|1,0,1]=4 7912 B13R1.528 CNC(=O)CCc1ccccc1C 240690a_100102657272_100000748742 [0,1,0,0,0,1|1,0,1]=4 7913 B13R1.528 CNC(=O)CCc1ccccc1C 527a_100102657272_100000748742 [0,1,0,0,0,1|1,0,1]=4 7914 B13R1.528 CNC(=O)CCc1ccccc1Cl 11a_106832991635_100000184300 [0,1,0,0,0,1|1,0,1]=4 7915 B13R1.528 CNC(=O)CCc1ccccc1Cl 1626a_100102657272_100000184300 [0,1,0,0,0,1|1,0,1]=4 7916 B13R1.528 CNC(=O)CCc1ccccc1Cl 240690a_100102657272_100000184300 [0,1,0,0,0,1|1,0,1]=4 7917 B13R1.528 CNC(=O)CCc1ccccc1Cl 527a_100102657272_100000184300 [0,1,0,0,0,1|1,0,1]=4 7918 B13R1.528 CNC(=O)CCc1ccccc1F 11a_106832991635_100000189703 [0,1,0,0,0,1|1,0,1]=4 7919 B13R1.528 CNC(=O)CCc1ccccc1F 1626a_100102657272_100000189703 [0,1,0,0,0,1|1,0,1]=4 7920 B13R1.528 CNC(=O)CCc1ccccc1F 240690a_100102657272_100000189703 [0,1,0,0,0,1|1,0,1]=4 7921 B13R1.528 CNC(=O)CCc1ccccc1F 527a_100102657272_100000189703 [0,1,0,0,0,1|1,0,1]=4 7922 B13R1.528 CNC(=O)CCc1ccccc1I 11a_106832991635_100000037306 [0,1,0,0,0,1|1,0,1]=4 7923 B13R1.528 CNC(=O)CCc1ccccc1I 1626a_100102657272_100000037306 [0,1,0,0,0,1|1,0,1]=4 7924 B13R1.528 CNC(=O)CCc1ccccc1I 240690a_100102657272_100000037306 [0,1,0,0,0,1|1,0,1]=4 7925 B13R1.528 CNC(=O)CCc1ccccc1I 527a_100102657272_100000037306 [0,1,0,0,0,1|1,0,1]=4 7926 B13R1.528 CNC(=O)CCc1ccccc1O 11a_106832991635_100000181328 [0,1,0,0,0,1|1,0,1]=4 7927 B13R1.528 CNC(=O)CCc1ccccc1O 240690a_100102657272_100000181328 [0,1,0,0,0,1|1,0,1]=4 7928 B13R1.528 CNC(=O)CCc1ccccc1O 527a_100102657272_100000181328 [0,1,0,0,0,1|1,0,1]=4 7929 B13R1.528 CNC(=O)CNc1ccccc1Br 34a_100000210017_100000183359 [0,1,0,0,0,1|1,0,1]=4 7930 B13R1.528 CNC(=O)CNc1ccccc1C 34a_100015192222_100000183359 [0,1,0,0,0,1|1,0,1]=4 7931 B13R1.528 CNC(=O)CNc1ccccc1Cl 34a_100000185783_100000183359 [0,1,0,0,0,1|1,0,1]=4 7932 B13R1.528 CNC(=O)CNc1ccccc1F 34a_100000210422_100000183359 [0,1,0,0,0,1|1,0,1]=4 7933 B13R1.528 CNC(=O)CNc1ccccc1I 34a_100000210053_100000183359 [0,1,0,0,0,1|1,0,1]=4 7934 B13R1.528 CNC(=O)CNc1ccccc1O 34a_100000185747_100000183359 [0,1,0,0,0,1|1,0,1]=4 7935 B13R1.528 CNC(=O)COc1ccccc1Br 11a_106832991635_100000216496 [0,1,0,0,0,1|1,0,1]=4 7936 B13R1.528 CNC(=O)COc1ccccc1Br 1626a_100102657272_100000216496 [0,1,0,0,0,1|1,0,1]=4 7937 B13R1.528 CNC(=O)COc1ccccc1Br 240690a_100102657272_100000216496 [0,1,0,0,0,1|1,0,1]=4 7938 B13R1.528 CNC(=O)COc1ccccc1Br 34a_100000181306_100000183359 [0,1,0,0,0,1|1,0,1]=4 7939 B13R1.528 CNC(=O)COc1ccccc1Br 527a_100102657272_100000216496 [0,1,0,0,0,1|1,0,1]=4 7940 B13R1.528 CNC(=O)COc1ccccc1Br 7a_100000181306_100000183359 [0,1,0,0,0,1|1,0,1]=4 7941 B13R1.528 CNC(=O)COc1ccccc1C 11a_106832991635_100000182418 [0,1,0,0,0,1|1,0,1]=4 7942 B13R1.528 CNC(=O)COc1ccccc1C 1626a_100102657272_100000182418 [0,1,0,0,0,1|1,0,1]=4 7943 B13R1.528 CNC(=O)COc1ccccc1C 240690a_100102657272_100000182418 [0,1,0,0,0,1|1,0,1]=4 7944 B13R1.528 CNC(=O)COc1ccccc1C 34a_100000210338_100000183359 [0,1,0,0,0,1|1,0,1]=4 7945 B13R1.528 CNC(=O)COc1ccccc1C 527a_100102657272_100000182418 [0,1,0,0,0,1|1,0,1]=4 7946 B13R1.528 CNC(=O)COc1ccccc1C 7a_100000210338_100000183359 [0,1,0,0,0,1|1,0,1]=4 7947 B13R1.528 CNC(=O)COc1ccccc1Cl 11a_106832991635_100000185159 [0,1,0,0,0,1|1,0,1]=4 7948 B13R1.528 CNC(=O)COc1ccccc1Cl 1626a_100102657272_100000185159 [0,1,0,0,0,1|1,0,1]=4 7949 B13R1.528 CNC(=O)COc1ccccc1Cl 240690a_100102657272_100000185159 [0,1,0,0,0,1|1,0,1]=4 7950 B13R1.528 CNC(=O)COc1ccccc1Cl 34a_100000210172_100000183359 [0,1,0,0,0,1|1,0,1]=4 7951 B13R1.528 CNC(=O)COc1ccccc1Cl 527a_100102657272_100000185159 [0,1,0,0,0,1|1,0,1]=4 7952 B13R1.528 CNC(=O)COc1ccccc1Cl 7a_100000210172_100000183359 [0,1,0,0,0,1|1,0,1]=4 7953 B13R1.528 CNC(=O)COc1ccccc1F 11a_106832991635_100000182486 [0,1,0,0,0,1|1,0,1]=4 7954 B13R1.528 CNC(=O)COc1ccccc1F 1626a_100102657272_100000182486 [0,1,0,0,0,1|1,0,1]=4 7955 B13R1.528 CNC(=O)COc1ccccc1F 240690a_100102657272_100000182486 [0,1,0,0,0,1|1,0,1]=4 7956 B13R1.528 CNC(=O)COc1ccccc1F 34a_100000210171_100000183359 [0,1,0,0,0,1|1,0,1]=4 7957 B13R1.528 CNC(=O)COc1ccccc1F 527a_100102657272_100000182486 [0,1,0,0,0,1|1,0,1]=4 7958 B13R1.528 CNC(=O)COc1ccccc1F 7a_100000210171_100000183359 [0,1,0,0,0,1|1,0,1]=4 7959 B13R1.528 CNC(=O)COc1ccccc1I 34a_100000739446_100000183359 [0,1,0,0,0,1|1,0,1]=4 7960 B13R1.528 CNC(=O)COc1ccccc1I 7a_100000739446_100000183359 [0,1,0,0,0,1|1,0,1]=4 7961 B13R1.528 CNC(=O)COc1ccccc1N 34a_100000185747_100000183359 [0,1,0,0,0,1|1,0,1]=4 7962 B13R1.528 CNC(=O)COc1ccccc1N 7a_100000185747_100000183359 [0,1,0,0,0,1|1,0,1]=4 7963 B13R1.528 CNC(=O)COc1ccccc1O 240690a_100102657272_100000183020 [0,1,0,0,0,1|1,0,1]=4 7964 B13R1.528 CNC(=O)COc1ccccc1O 271570a_203496583355_200000148481 [0,1,0,0,0,1|1,0,1]=4 7965 B13R1.528 CNC(=O)COc1ccccc1O 527a_100102657272_100000183020 [0,1,0,0,0,1|1,0,1]=4 7966 B13R1.528 CNC(=O)CSc1ccccc1Br 62a_100000183359_100000695589 [0,1,0,0,0,1|1,0,1]=4 7967 B13R1.528 CNC(=O)CSc1ccccc1Br 62a_100000695589_100000183359 [0,1,0,0,0,1|1,0,1]=4 7968 B13R1.528 CNC(=O)CSc1ccccc1C 11a_106832991635_100000183026 [0,1,0,0,0,1|1,0,1]=4 7969 B13R1.528 CNC(=O)CSc1ccccc1C 1626a_100102657272_100000183026 [0,1,0,0,0,1|1,0,1]=4 7970 B13R1.528 CNC(=O)CSc1ccccc1C 240690a_100102657272_100000183026 [0,1,0,0,0,1|1,0,1]=4 7971 B13R1.528 CNC(=O)CSc1ccccc1C 527a_100102657272_100000183026 [0,1,0,0,0,1|1,0,1]=4 7972 B13R1.528 CNC(=O)CSc1ccccc1C 62a_100000183359_100000210755 [0,1,0,0,0,1|1,0,1]=4 7973 B13R1.528 CNC(=O)CSc1ccccc1C 62a_100000210755_100000183359 [0,1,0,0,0,1|1,0,1]=4 7974 B13R1.528 CNC(=O)CSc1ccccc1Cl 62a_100000183359_100000764095 [0,1,0,0,0,1|1,0,1]=4 7975 B13R1.528 CNC(=O)CSc1ccccc1Cl 62a_100000764095_100000183359 [0,1,0,0,0,1|1,0,1]=4 7976 B13R1.528 CNC(=O)CSc1ccccc1F 11a_106832991635_100000179528 [0,1,0,0,0,1|1,0,1]=4 7977 B13R1.528 CNC(=O)CSc1ccccc1F 1626a_100102657272_100000179528 [0,1,0,0,0,1|1,0,1]=4 7978 B13R1.528 CNC(=O)CSc1ccccc1F 240690a_100102657272_100000179528 [0,1,0,0,0,1|1,0,1]=4 7979 B13R1.528 CNC(=O)CSc1ccccc1F 62a_100000183359_100011215700 [0,1,0,0,0,1|1,0,1]=4 7980 B13R1.528 CNC(=O)CSc1ccccc1F 62a_100011215700_100000183359 [0,1,0,0,0,1|1,0,1]=4 7981 B13R1.528 CNC(=O)CSc1ccccc1N 62a_100000183359_100000210017 [0,1,0,0,0,1|1,0,1]=4 7982 B13R1.528 CNC(=O)CSc1ccccc1N 62a_100000210017_100000183359 [0,1,0,0,0,1|1,0,1]=4 7983 B13R1.528 CNC(=O)CSc1ccccc1O 240690a_100102657272_100000695322 [0,1,0,0,0,1|1,0,1]=4 7984 B13R1.528 CNC(=O)CSc1ccccc1O 527a_100102657272_100000695322 [0,1,0,0,0,1|1,0,1]=4 7985 B13R1.528 CNC(=O)CSc1ccccc1O 62a_100000183359_100000739446 [0,1,0,0,0,1|1,0,1]=4 7986 B13R1.528 CNC(=O)CSc1ccccc1O 62a_100000739446_100000183359 [0,1,0,0,0,1|1,0,1]=4 7987 B13R1.528 CNC(=O)NCc1ccccc1Br 2708a_100000689332_106832991635 [0,1,0,0,0,1|1,0,1]=4 7988 B13R1.528 CNC(=O)NCc1ccccc1Br 2708a_100102657272_100000689332 [0,1,0,0,0,1|1,0,1]=4 7989 B13R1.528 CNC(=O)NCc1ccccc1Br 273464a_100000689332_100102657272 [0,1,0,0,0,1|1,0,1]=4 7990 B13R1.528 CNC(=O)NCc1ccccc1Br 273464a_100102657272_100000689332 [0,1,0,0,0,1|1,0,1]=4 7991 B13R1.528 CNC(=O)NCc1ccccc1Br 512a_100000689332_100102657272 [0,1,0,0,0,1|1,0,1]=4 7992 B13R1.528 CNC(=O)NCc1ccccc1Br 512a_106832991638_100000689332 [0,1,0,0,0,1|1,0,1]=4 7993 B13R1.528 CNC(=O)NCc1ccccc1C 2708a_100000174972_106832991635 [0,1,0,0,0,1|1,0,1]=4 7994 B13R1.528 CNC(=O)NCc1ccccc1C 2708a_100102657272_100000174972 [0,1,0,0,0,1|1,0,1]=4 7995 B13R1.528 CNC(=O)NCc1ccccc1C 273464a_100000174972_100102657272 [0,1,0,0,0,1|1,0,1]=4 7996 B13R1.528 CNC(=O)NCc1ccccc1C 273464a_100102657272_100000174972 [0,1,0,0,0,1|1,0,1]=4 7997 B13R1.528 CNC(=O)NCc1ccccc1C 512a_100000174972_100102657272 [0,1,0,0,0,1|1,0,1]=4 7998 B13R1.528 CNC(=O)NCc1ccccc1C 512a_106832991638_100000174972 [0,1,0,0,0,1|1,0,1]=4 7999 B13R1.528 CNC(=O)NCc1ccccc1Cl 2708a_100000174879_106832991635 [0,1,0,0,0,1|1,0,1]=4 8000 B13R1.528 CNC(=O)NCc1ccccc1Cl 2708a_100102657272_100000174879 [0,1,0,0,0,1|1,0,1]=4 8001 B13R1.528 CNC(=O)NCc1ccccc1Cl 273464a_100000174879_100102657272 [0,1,0,0,0,1|1,0,1]=4 8002 B13R1.528 CNC(=O)NCc1ccccc1Cl 273464a_100102657272_100000174879 [0,1,0,0,0,1|1,0,1]=4 8003 B13R1.528 CNC(=O)NCc1ccccc1Cl 512a_106832991638_100000174879 [0,1,0,0,0,1|1,0,1]=4 8004 B13R1.528 CNC(=O)NCc1ccccc1F 2708a_100000174869_106832991635 [0,1,0,0,0,1|1,0,1]=4 8005 B13R1.528 CNC(=O)NCc1ccccc1F 2708a_100102657272_100000174869 [0,1,0,0,0,1|1,0,1]=4 8006 B13R1.528 CNC(=O)NCc1ccccc1F 273464a_100000174869_100102657272 [0,1,0,0,0,1|1,0,1]=4 8007 B13R1.528 CNC(=O)NCc1ccccc1F 273464a_100102657272_100000174869 [0,1,0,0,0,1|1,0,1]=4 8008 B13R1.528 CNC(=O)NCc1ccccc1F 512a_100000174869_100102657272 [0,1,0,0,0,1|1,0,1]=4 8009 B13R1.528 CNC(=O)NCc1ccccc1F 512a_106832991638_100000174869 [0,1,0,0,0,1|1,0,1]=4 8010 B13R1.528 CNC(=O)NCc1ccccc1I 2708a_100015347259_106832991635 [0,1,0,0,0,1|1,0,1]=4 8011 B13R1.528 CNC(=O)NCc1ccccc1I 2708a_100102657272_100015347259 [0,1,0,0,0,1|1,0,1]=4 8012 B13R1.528 CNC(=O)NCc1ccccc1I 273464a_100015347259_100102657272 [0,1,0,0,0,1|1,0,1]=4 8013 B13R1.528 CNC(=O)NCc1ccccc1I 273464a_100102657272_100015347259 [0,1,0,0,0,1|1,0,1]=4 8014 B13R1.528 CNC(=O)NCc1ccccc1I 512a_100015347259_100102657272 [0,1,0,0,0,1|1,0,1]=4 8015 B13R1.528 CNC(=O)NCc1ccccc1I 512a_106832991638_100015347259 [0,1,0,0,0,1|1,0,1]=4 8016 B13R1.528 CNC(=O)NCc1ccccc1O 2708a_100000185550_106832991635 [0,1,0,0,0,1|1,0,1]=4 8017 B13R1.528 CNC(=O)NCc1ccccc1O 2708a_100102657272_100000185550 [0,1,0,0,0,1|1,0,1]=4 8018 B13R1.528 CNC(=O)NCc1ccccc1O 273464a_100000185550_100102657272 [0,1,0,0,0,1|1,0,1]=4 8019 B13R1.528 CNC(=O)NCc1ccccc1O 273464a_100102657272_100000185550 [0,1,0,0,0,1|1,0,1]=4 8020 B13R1.528 CNC(=O)NCc1ccccc1O 512a_100000185550_100102657272 [0,1,0,0,0,1|1,0,1]=4 8021 B13R1.528 CNC(C)COc1ccccc1C 2230a_100000744241_200000210301 [0,1,0,0,0,1|0,0,0]=2 8022 B13R1.528 CNC(C)COc1ccccc1C 34a_100000744241_200000210301 [0,1,0,0,0,1|0,0,0]=2 8023 B13R1.528 COC(C)COc1ccccc1C 34a_200011217337_200000210301 [0,1,0,0,0,1|1,0,0]=3 8024 B13R1.528 COC(C)COc1ccccc1C 7a_200011217337_200000210301 [0,1,0,0,0,1|1,0,0]=3 8025 B13R1.528 COC(C)SCc1ccccc1Br 62a_100000184730_100009879195 [0,1,0,0,0,1|1,0,0]=3 8026 B13R1.528 COC(C)SCc1ccccc1Br 62a_100009879195_100000184730 [0,1,0,0,0,1|1,0,0]=3 8027 B13R1.528 COC(C)SCc1ccccc1C 62a_100000211839_100009879195 [0,1,0,0,0,1|1,0,0]=3 8028 B13R1.528 COC(C)SCc1ccccc1C 62a_100009879195_100000211839 [0,1,0,0,0,1|1,0,0]=3 8029 B13R1.528 COC(C)SCc1ccccc1Cl 62a_100000187162_100009879195 [0,1,0,0,0,1|1,0,0]=3 8030 B13R1.528 COC(C)SCc1ccccc1Cl 62a_100009879195_100000187162 [0,1,0,0,0,1|1,0,0]=3 8031 B13R1.528 COC(C)SCc1ccccc1F 62a_100000211605_100009879195 [0,1,0,0,0,1|1,0,0]=3 8032 B13R1.528 COC(C)SCc1ccccc1F 62a_100009879195_100000211605 [0,1,0,0,0,1|1,0,0]=3 8033 B13R1.528 COC(C)SCc1ccccc1I 62a_100009879195_100011216222 [0,1,0,0,0,1|1,0,0]=3 8034 B13R1.528 COC(C)SCc1ccccc1I 62a_100011216222_100009879195 [0,1,0,0,0,1|1,0,0]=3 8035 B13R1.528 COC(C)SCc1cccnc1Br 62a_100009879195_100010140945 [0,1,0,0,0,1|2,0,0]=4 8036 B13R1.528 COC(C)SCc1cccnc1Br 62a_100010140945_100009879195 [0,1,0,0,0,1|2,0,0]=4 8037 B13R1.528 COC(C)SCc1cccnc1C 62a_100000732876_100009879195 [0,1,0,0,0,1|2,0,0]=4 8038 B13R1.528 COC(C)SCc1cccnc1C 62a_100009879195_100000732876 [0,1,0,0,0,1|2,0,0]=4 8039 B13R1.528 COC(C)SCc1cccnc1Cl 62a_100000045678_100009879195 [0,1,0,0,0,1|2,0,0]=4 8040 B13R1.528 COC(C)SCc1cccnc1Cl 62a_100009879195_100000045678 [0,1,0,0,0,1|2,0,0]=4 8041 B13R1.528 COC(C)SCc1cccnc1F 62a_100000099810_100009879195 [0,1,0,0,0,1|2,0,0]=4 8042 B13R1.528 COC(C)SCc1cccnc1F 62a_100009879195_100000099810 [0,1,0,0,0,1|2,0,0]=4 8043 B13R1.528 COC(C)SCc1ccncc1C 62a_100009879195_100020672808 [0,1,0,0,0,1|2,0,0]=4 8044 B13R1.528 COC(C)SCc1ccncc1C 62a_100020672808_100009879195 [0,1,0,0,0,1|2,0,0]=4 8045 B13R1.528 COC(C)SCc1ccncc1Cl 62a_100000763264_100009879195 [0,1,0,0,0,1|2,0,0]=4 8046 B13R1.528 COC(C)SCc1ccncc1Cl 62a_100009879195_100000763264 [0,1,0,0,0,1|2,0,0]=4 8047 B13R1.528 COC(C)SCc1cnccc1C 62a_100000690890_100009879195 [0,1,0,0,0,1|2,0,0]=4 8048 B13R1.528 COC(C)SCc1cnccc1C 62a_100009879195_100000690890 [0,1,0,0,0,1|2,0,0]=4 8049 B13R1.528 COC(C)SCc1ncccc1Br 62a_100009879195_100025702911 [0,1,0,0,0,1|2,0,0]=4 8050 B13R1.528 COC(C)SCc1ncccc1Br 62a_100025702911_100009879195 [0,1,0,0,0,1|2,0,0]=4 8051 B13R1.528 COC(C)SCc1ncccc1C 62a_100000696600_100009879195 [0,1,0,0,0,1|2,0,0]=4 8052 B13R1.528 COC(C)SCc1ncccc1C 62a_100009879195_100000696600 [0,1,0,0,0,1|2,0,0]=4 8053 B13R1.528 COC(C)SCc1ncccc1Cl 62a_100000099807_100009879195 [0,1,0,0,0,1|2,0,0]=4 8054 B13R1.528 COC(C)SCc1ncccc1Cl 62a_100009879195_100000099807 [0,1,0,0,0,1|2,0,0]=4 8055 B13R1.528 COC(C)SCc1ncccc1F 62a_100000104219_100009879195 [0,1,0,0,0,1|2,0,0]=4 8056 B13R1.528 COC(C)SCc1ncccc1F 62a_100009879195_100000104219 [0,1,0,0,0,1|2,0,0]=4 8057 B13R1.528 COC(C)SCc1ncccc1O 62a_100009879195_200020655725 [0,1,0,0,0,1|2,0,0]=4 8058 B13R1.528 COC(C)SCc1ncccc1O 62a_200020655725_100009879195 [0,1,0,0,0,1|2,0,0]=4 8059 B13R1.528 CO[C@H](C)CNc1ccncc1Br 27a_100020591295_100000726257 [0,1,0,0,0,1|2,0,0]=4 8060 B13R1.528 CO[C@H](C)CNc1ccncc1C 27a_100020591295_100000765111 [0,1,0,0,0,1|2,0,0]=4 8061 B13R1.528 CO[C@H](C)CNc1ccncc1F 27a_100020591295_100000035921 [0,1,0,0,0,1|2,0,0]=4 8062 B13R1.528 CO[C@H](C)CNc1ncccc1Br 27a_100020591295_100000696092 [0,1,0,0,0,1|2,0,0]=4 8063 B13R1.528 C[C@@H](CO)CNc1ccccc1Br 34a_100000210017_100000059175 [0,1,0,0,0,1|2,0,0]=4 8064 B13R1.528 C[C@@H](CO)CNc1ccccc1Cl 34a_100000185783_100000059175 [0,1,0,0,0,1|2,0,0]=4 8065 B13R1.528 C[C@@H](CO)CNc1ccccc1F 34a_100000210422_100000059175 [0,1,0,0,0,1|2,0,0]=4 8066 B13R1.528 C[C@@H](CO)CNc1ccccc1I 34a_100000210053_100000059175 [0,1,0,0,0,1|2,0,0]=4 8067 B13R1.528 C[C@@H](CO)CNc1ccccc1O 34a_100000185747_100000059175 [0,1,0,0,0,1|2,0,0]=4 8068 B13R1.528 C[C@@H](CO)COc1ccccc1Br 34a_100000181306_100000059175 [0,1,0,0,0,1|2,0,0]=4 8069 B13R1.528 C[C@@H](CO)COc1ccccc1Br 7a_100000181306_100000059175 [0,1,0,0,0,1|2,0,0]=4 8070 B13R1.528 C[C@@H](CO)COc1ccccc1Cl 34a_100000210172_100000059175 [0,1,0,0,0,1|2,0,0]=4 8071 B13R1.528 C[C@@H](CO)COc1ccccc1Cl 7a_100000210172_100000059175 [0,1,0,0,0,1|2,0,0]=4 8072 B13R1.528 C[C@@H](CO)COc1ccccc1F 34a_100000210171_100000059175 [0,1,0,0,0,1|2,0,0]=4 8073 B13R1.528 C[C@@H](CO)COc1ccccc1F 7a_100000210171_100000059175 [0,1,0,0,0,1|2,0,0]=4 8074 B13R1.528 C[C@@H](CO)COc1ccccc1I 34a_100000739446_100000059175 [0,1,0,0,0,1|2,0,0]=4 8075 B13R1.528 C[C@@H](CO)COc1ccccc1I 7a_100000739446_100000059175 [0,1,0,0,0,1|2,0,0]=4 8076 B13R1.528 C[C@@H](CO)COc1ccccc1N 34a_100000185747_100000059175 [0,1,0,0,0,1|2,0,0]=4 8077 B13R1.528 C[C@@H](CO)COc1ccccc1N 7a_100000185747_100000059175 [0,1,0,0,0,1|2,0,0]=4 8078 B13R1.528 C[C@@H](CO)CSc1ccccc1Br 62a_100000059175_100000695589 [0,1,0,0,0,1|2,0,0]=4 8079 B13R1.528 C[C@@H](CO)CSc1ccccc1Br 62a_100000695589_100000059175 [0,1,0,0,0,1|2,0,0]=4 8080 B13R1.528 C[C@@H](CO)CSc1ccccc1Cl 62a_100000059175_100000764095 [0,1,0,0,0,1|2,0,0]=4 8081 B13R1.528 C[C@@H](CO)CSc1ccccc1Cl 62a_100000764095_100000059175 [0,1,0,0,0,1|2,0,0]=4 8082 B13R1.528 C[C@@H](CO)CSc1ccccc1F 62a_100000059175_100011215700 [0,1,0,0,0,1|2,0,0]=4 8083 B13R1.528 C[C@@H](CO)CSc1ccccc1F 62a_100011215700_100000059175 [0,1,0,0,0,1|2,0,0]=4 8084 B13R1.528 C[C@@H](CO)CSc1ccccc1N 62a_100000059175_100000210017 [0,1,0,0,0,1|2,0,0]=4 8085 B13R1.528 C[C@@H](CO)CSc1ccccc1N 62a_100000210017_100000059175 [0,1,0,0,0,1|2,0,0]=4 8086 B13R1.528 C[C@@H](CO)CSc1ccccc1O 62a_100000059175_100000739446 [0,1,0,0,0,1|2,0,0]=4 8087 B13R1.528 C[C@@H](CO)CSc1ccccc1O 62a_100000739446_100000059175 [0,1,0,0,0,1|2,0,0]=4 8088 B13R1.528 C[C@H](CF)NCc1ccccc1Br 207a_100102880703_100000211189 [0,1,0,0,0,1|2,0,0]=4 8089 B13R1.528 C[C@H](CF)NCc1ccccc1Br 270004a_100102880703_100000211189 [0,1,0,0,0,1|2,0,0]=4 8090 B13R1.528 C[C@H](CF)NCc1ccccc1Cl 207a_100102880703_100000210073 [0,1,0,0,0,1|2,0,0]=4 8091 B13R1.528 C[C@H](CF)NCc1ccccc1Cl 270004a_100102880703_100000210073 [0,1,0,0,0,1|2,0,0]=4 8092 B13R1.528 C[C@H](CF)NCc1ccccc1F 207a_100102880703_100000210811 [0,1,0,0,0,1|2,0,0]=4 8093 B13R1.528 C[C@H](CF)NCc1ccccc1F 270004a_100102880703_100000210811 [0,1,0,0,0,1|2,0,0]=4 8094 B13R1.528 C[C@H](CF)NCc1ccccc1I 207a_100102880703_100000010305 [0,1,0,0,0,1|2,0,0]=4 8095 B13R1.528 C[C@H](CF)NCc1ccccc1I 270004a_100102880703_100000010305 [0,1,0,0,0,1|2,0,0]=4 8096 B13R1.528 C[C@H](CO)NCc1ccccc1Br 207a_100000737577_100000211189 [0,1,0,0,0,1|2,0,0]=4 8097 B13R1.528 C[C@H](CO)NCc1ccccc1Br 2230a_100000737577_100000184730 [0,1,0,0,0,1|2,0,0]=4 8098 B13R1.528 C[C@H](CO)NCc1ccccc1Br 270004a_100000737577_100000211189 [0,1,0,0,0,1|2,0,0]=4 8099 B13R1.528 C[C@H](CO)NCc1ccccc1Cl 207a_100000737577_100000210073 [0,1,0,0,0,1|2,0,0]=4 8100 B13R1.528 C[C@H](CO)NCc1ccccc1Cl 2230a_100000737577_100000187162 [0,1,0,0,0,1|2,0,0]=4 8101 B13R1.528 C[C@H](CO)NCc1ccccc1Cl 270004a_100000737577_100000210073 [0,1,0,0,0,1|2,0,0]=4 8102 B13R1.528 C[C@H](CO)NCc1ccccc1F 207a_100000737577_100000210811 [0,1,0,0,0,1|2,0,0]=4 8103 B13R1.528 C[C@H](CO)NCc1ccccc1F 2230a_100000737577_100000211605 [0,1,0,0,0,1|2,0,0]=4 8104 B13R1.528 C[C@H](CO)NCc1ccccc1F 270004a_100000737577_100000210811 [0,1,0,0,0,1|2,0,0]=4 8105 B13R1.528 C[C@H](CO)NCc1ccccc1I 207a_100000737577_100000010305 [0,1,0,0,0,1|2,0,0]=4 8106 B13R1.528 C[C@H](CO)NCc1ccccc1I 2230a_100000737577_100011215278 [0,1,0,0,0,1|2,0,0]=4 8107 B13R1.528 C[C@H](CO)NCc1ccccc1I 270004a_100000737577_100000010305 [0,1,0,0,0,1|2,0,0]=4 8108 B13R1.528 C[C@H](CO)SCc1ccccc1Br 62a_100000184730_100016084084 [0,1,0,0,0,1|2,0,0]=4 8109 B13R1.528 C[C@H](CO)SCc1ccccc1Br 62a_100016084084_100000184730 [0,1,0,0,0,1|2,0,0]=4 8110 B13R1.528 C[C@H](CO)SCc1ccccc1Cl 62a_100000187162_100016084084 [0,1,0,0,0,1|2,0,0]=4 8111 B13R1.528 C[C@H](CO)SCc1ccccc1Cl 62a_100016084084_100000187162 [0,1,0,0,0,1|2,0,0]=4 8112 B13R1.528 C[C@H](CO)SCc1ccccc1F 62a_100000211605_100016084084 [0,1,0,0,0,1|2,0,0]=4 8113 B13R1.528 C[C@H](CO)SCc1ccccc1F 62a_100016084084_100000211605 [0,1,0,0,0,1|2,0,0]=4 8114 B13R1.528 C[C@H](CO)SCc1ccccc1I 62a_100011216222_100016084084 [0,1,0,0,0,1|2,0,0]=4 8115 B13R1.528 C[C@H](CO)SCc1ccccc1I 62a_100016084084_100011216222 [0,1,0,0,0,1|2,0,0]=4 8116 B13R1.528 Cc1ccccc1CNC(C)C#N 2230a_100000737613_100000211839 [0,1,0,0,0,1|2,0,0]=4 8117 B13R1.528 Cc1ccccc1CNC(C)CO 34a_100000174972_100012180447 [0,1,0,0,0,1|2,0,0]=4 8118 B13R1.528 Cc1ccccc1CN[C@H](C)CF 207a_100102880703_100000211143 [0,1,0,0,0,1|2,0,0]=4 8119 B13R1.528 Cc1ccccc1CN[C@H](C)CF 270004a_100102880703_100000211143 [0,1,0,0,0,1|2,0,0]=4 8120 B13R1.528 Cc1ccccc1CN[C@H](C)CO 207a_100000737577_100000211143 [0,1,0,0,0,1|2,0,0]=4 8121 B13R1.528 Cc1ccccc1CN[C@H](C)CO 2230a_100000737577_100000211839 [0,1,0,0,0,1|2,0,0]=4 8122 B13R1.528 Cc1ccccc1CN[C@H](C)CO 270004a_100000737577_100000211143 [0,1,0,0,0,1|2,0,0]=4 8123 B13R1.528 Cc1ccccc1COC(C)C#N 34a_100011218135_100000211839 [0,1,0,0,0,1|2,0,0]=4 8124 B13R1.528 Cc1ccccc1COC(C)C#N 7a_100000698903_100000703298 [0,1,0,0,0,1|2,0,0]=4 8125 B13R1.528 Cc1ccccc1COC(C)CF 34a_100016041109_100000211839 [0,1,0,0,0,1|2,0,0]=4 8126 B13R1.528 Cc1ccccc1COC(C)CF 7a_100016041109_100000211839 [0,1,0,0,0,1|2,0,0]=4 8127 B13R1.528 Cc1ccccc1COC(C)CN 34a_100000210904_100000211839 [0,1,0,0,0,1|2,0,0]=4 8128 B13R1.528 Cc1ccccc1COC(C)CO 34a_100000698903_100012180447 [0,1,0,0,0,1|2,0,0]=4 8129 B13R1.528 Cc1ccccc1COC(C)CO 7a_100000698903_100012180447 [0,1,0,0,0,1|2,0,0]=4 8130 B13R1.528 Cc1ccccc1CSC(C)C#N 62a_100000211839_100000703298 [0,1,0,0,0,1|2,0,0]=4 8131 B13R1.528 Cc1ccccc1CSC(C)C#N 62a_100000703298_100000211839 [0,1,0,0,0,1|2,0,0]=4 8132 B13R1.528 Cc1ccccc1CSC(C)CO 62a_100012180447_100000211839 [0,1,0,0,0,1|2,0,0]=4 8133 B13R1.528 Cc1ccccc1CS[C@H](C)CO 62a_100000211839_100016084084 [0,1,0,0,0,1|2,0,0]=4 8134 B13R1.528 Cc1ccccc1CS[C@H](C)CO 62a_100016084084_100000211839 [0,1,0,0,0,1|2,0,0]=4 8135 B13R1.528 Cc1ccccc1NC[C@@H](C)CO 34a_100015192222_100000059175 [0,1,0,0,0,1|2,0,0]=4 8136 B13R1.528 Cc1ccccc1OCC(C)N[13CH3] 2230a_100000744241_200025704644 [0,1,0,0,0,1|0,0,0]=2 8137 B13R1.528 Cc1ccccc1OCC(C)N[13CH3] 34a_100000744241_200025704644 [0,1,0,0,0,1|0,0,0]=2 8138 B13R1.528 Cc1ccccc1OCC(C)O[13CH3] 34a_200011217337_200025704644 [0,1,0,0,0,1|1,0,0]=3 8139 B13R1.528 Cc1ccccc1OCC(C)O[13CH3] 7a_200011217337_200025704644 [0,1,0,0,0,1|1,0,0]=3 8140 B13R1.528 Cc1ccccc1OC[C@@H](C)CO 34a_100000210338_100000059175 [0,1,0,0,0,1|2,0,0]=4 8141 B13R1.528 Cc1ccccc1OC[C@@H](C)CO 7a_100000210338_100000059175 [0,1,0,0,0,1|2,0,0]=4 8142 B13R1.528 Cc1ccccc1SC[C@@H](C)CO 62a_100000059175_100000210755 [0,1,0,0,0,1|2,0,0]=4 8143 B13R1.528 Cc1ccccc1SC[C@@H](C)CO 62a_100000210755_100000059175 [0,1,0,0,0,1|2,0,0]=4 8144 B13R1.527 CCC(C)Oc1cccccc1=O 34a_100000036025_100011215416 [0,1,0,0,0,1|2,0,0]=4 8145 B13R1.527 CCC(C)Oc1cccccc1=O 7a_100000036025_100000758301 [0,1,0,0,0,1|2,0,0]=4 8146 B13R1.19 CC(CCO)Nc1ccc(cc1)Br 2230a_100000210018_100009893172 [0,2,0,0,0,0|2,0,0]=4 8147 B13R1.19 CC(CCO)Nc1ccc(cc1)Br 34a_100000210018_100009893172 [0,2,0,0,0,0|2,0,0]=4 8148 B13R1.19 CC(CCO)Nc1ccc(cc1)Cl 2230a_100000210052_100009893172 [0,2,0,0,0,0|2,0,0]=4 8149 B13R1.19 CC(CCO)Nc1ccc(cc1)Cl 34a_100000210052_100009893172 [0,2,0,0,0,0|2,0,0]=4 8150 B13R1.19 CC(CCO)Nc1ccc(cc1)F 34a_100000185862_100009893172 [0,2,0,0,0,0|2,0,0]=4 8151 B13R1.19 CC(CCO)Nc1ccc(cc1)I 34a_100000185761_100009893172 [0,2,0,0,0,0|2,0,0]=4 8152 B13R1.19 CC(CCO)Nc1ccc(cc1)O 34a_100000185829_100009893172 [0,2,0,0,0,0|2,0,0]=4 8153 B13R1.19 CC(CCO)Oc1ccc(cc1)Br 34a_100000185759_100009893172 [0,2,0,0,0,0|2,0,0]=4 8154 B13R1.19 CC(CCO)Oc1ccc(cc1)Br 7a_100000185759_100009893172 [0,2,0,0,0,0|2,0,0]=4 8155 B13R1.19 CC(CCO)Oc1ccc(cc1)Cl 34a_100000210216_100009893172 [0,2,0,0,0,0|2,0,0]=4 8156 B13R1.19 CC(CCO)Oc1ccc(cc1)Cl 7a_100000210216_100009893172 [0,2,0,0,0,0|2,0,0]=4 8157 B13R1.19 CC(CCO)Oc1ccc(cc1)F 34a_100000210339_100009893172 [0,2,0,0,0,0|2,0,0]=4 8158 B13R1.19 CC(CCO)Oc1ccc(cc1)I 34a_100000212066_100009893172 [0,2,0,0,0,0|2,0,0]=4 8159 B13R1.19 CC(CCO)Oc1ccc(cc1)I 7a_100000212066_100009893172 [0,2,0,0,0,0|2,0,0]=4 8160 B13R1.19 CC(CCO)Oc1ccc(cc1)N 34a_100000185829_100009893172 [0,2,0,0,0,0|2,0,0]=4 8161 B13R1.19 CC(CCO)Sc1ccc(cc1)Br 62a_100000752885_100009893172 [0,2,0,0,0,0|2,0,0]=4 8162 B13R1.19 CC(CCO)Sc1ccc(cc1)Br 62a_100009893172_100000752885 [0,2,0,0,0,0|2,0,0]=4 8163 B13R1.19 CC(CCO)Sc1ccc(cc1)Cl 62a_100000755918_100009893172 [0,2,0,0,0,0|2,0,0]=4 8164 B13R1.19 CC(CCO)Sc1ccc(cc1)Cl 62a_100009893172_100000755918 [0,2,0,0,0,0|2,0,0]=4 8165 B13R1.19 CC(CCO)Sc1ccc(cc1)F 62a_100000211213_100009893172 [0,2,0,0,0,0|2,0,0]=4 8166 B13R1.19 CC(CCO)Sc1ccc(cc1)F 62a_100009893172_100000211213 [0,2,0,0,0,0|2,0,0]=4 8167 B13R1.19 CC(CCO)Sc1ccc(cc1)N 62a_100000185761_100009893172 [0,2,0,0,0,0|2,0,0]=4 8168 B13R1.19 CC(CCO)Sc1ccc(cc1)N 62a_100009893172_100000185761 [0,2,0,0,0,0|2,0,0]=4 8169 B13R1.19 CC(CCO)Sc1ccc(cc1)O 62a_100009893172_100000185759 [0,2,0,0,0,0|2,0,0]=4 8170 B13R1.19 CC(CN[13CH3])Oc1ccc(cc1)F 2230a_200020586543_200025704644 [0,2,0,0,0,0|1,0,0]=3 8171 B13R1.19 CC(CN[13CH3])Oc1ccc(cc1)F 34a_200020586543_200025704644 [0,2,0,0,0,0|1,0,0]=3 8172 B13R1.19 CC(CS[13CH3])Oc1ccc(cc1)F 62a_100010228477_200025704644 [0,2,0,0,0,0|2,0,0]=4 8173 B13R1.19 CC(CS[13CH3])Oc1ccc(cc1)F 62a_200025704644_100010228477 [0,2,0,0,0,0|2,0,0]=4 8174 B13R1.19 CC(Cc1ccc(cc1)F)OCF 34a_100011351027_100015361967 [0,2,0,0,0,0|1,0,0]=3 8175 B13R1.19 CC(Cc1ccc(cc1)F)OCF 7a_100011351027_100015361967 [0,2,0,0,0,0|1,0,0]=3 8176 B13R1.19 CC(Cc1ccc(cc1)O)NCF 34a_100102634573_100015361967 [0,2,0,0,0,0|0,0,0]=2 8177 B13R1.19 CCCC(C)Nc1ccc(cc1)Br 2230a_100000210018_100000766640 [0,2,0,0,0,0|2,0,0]=4 8178 B13R1.19 CCCC(C)Nc1ccc(cc1)Br 34a_100000210018_100000766640 [0,2,0,0,0,0|2,0,0]=4 8179 B13R1.19 CCCC(C)Nc1ccc(cc1)C 34a_100000124888_100000766640 [0,2,0,0,0,0|2,0,0]=4 8180 B13R1.19 CCCC(C)Nc1ccc(cc1)Cl 2230a_100000210052_100000766640 [0,2,0,0,0,0|2,0,0]=4 8181 B13R1.19 CCCC(C)Nc1ccc(cc1)Cl 34a_100000210052_100000766640 [0,2,0,0,0,0|2,0,0]=4 8182 B13R1.19 CCCC(C)Nc1ccc(cc1)F 34a_100000185862_100000766640 [0,2,0,0,0,0|2,0,0]=4 8183 B13R1.19 CCCC(C)Nc1ccc(cc1)I 34a_100000185761_100000766640 [0,2,0,0,0,0|2,0,0]=4 8184 B13R1.19 CCCC(C)Nc1ccc(cc1)O 34a_100000185829_100000766640 [0,2,0,0,0,0|2,0,0]=4 8185 B13R1.19 CCCC(C)Oc1ccc(cc1)Br 34a_100000185759_100000766640 [0,2,0,0,0,0|2,0,0]=4 8186 B13R1.19 CCCC(C)Oc1ccc(cc1)Br 7a_100000185759_100000766640 [0,2,0,0,0,0|2,0,0]=4 8187 B13R1.19 CCCC(C)Oc1ccc(cc1)C 34a_100000210336_100000766640 [0,2,0,0,0,0|2,0,0]=4 8188 B13R1.19 CCCC(C)Oc1ccc(cc1)C 7a_100000210336_100000766640 [0,2,0,0,0,0|2,0,0]=4 8189 B13R1.19 CCCC(C)Oc1ccc(cc1)Cl 34a_100000210216_100000766640 [0,2,0,0,0,0|2,0,0]=4 8190 B13R1.19 CCCC(C)Oc1ccc(cc1)Cl 7a_100000210216_100000766640 [0,2,0,0,0,0|2,0,0]=4 8191 B13R1.19 CCCC(C)Oc1ccc(cc1)F 34a_100000210339_100000766640 [0,2,0,0,0,0|2,0,0]=4 8192 B13R1.19 CCCC(C)Oc1ccc(cc1)I 34a_100000212066_100000766640 [0,2,0,0,0,0|2,0,0]=4 8193 B13R1.19 CCCC(C)Oc1ccc(cc1)I 7a_100000212066_100000766640 [0,2,0,0,0,0|2,0,0]=4 8194 B13R1.19 CCCC(C)Oc1ccc(cc1)N 34a_100000185829_100000766640 [0,2,0,0,0,0|2,0,0]=4 8195 B13R1.19 CCCC(C)Sc1ccc(cc1)Br 62a_100000752885_100000766640 [0,2,0,0,0,0|2,0,0]=4 8196 B13R1.19 CCCC(C)Sc1ccc(cc1)Br 62a_100000766640_100000752885 [0,2,0,0,0,0|2,0,0]=4 8197 B13R1.19 CCCC(C)Sc1ccc(cc1)C 62a_100000186775_100000766640 [0,2,0,0,0,0|2,0,0]=4 8198 B13R1.19 CCCC(C)Sc1ccc(cc1)C 62a_100000766640_100000186775 [0,2,0,0,0,0|2,0,0]=4 8199 B13R1.19 CCCC(C)Sc1ccc(cc1)Cl 62a_100000755918_100000766640 [0,2,0,0,0,0|2,0,0]=4 8200 B13R1.19 CCCC(C)Sc1ccc(cc1)Cl 62a_100000766640_100000755918 [0,2,0,0,0,0|2,0,0]=4 8201 B13R1.19 CCCC(C)Sc1ccc(cc1)F 62a_100000211213_100000766640 [0,2,0,0,0,0|2,0,0]=4 8202 B13R1.19 CCCC(C)Sc1ccc(cc1)F 62a_100000766640_100000211213 [0,2,0,0,0,0|2,0,0]=4 8203 B13R1.19 CCCC(C)Sc1ccc(cc1)N 62a_100000185761_100000766640 [0,2,0,0,0,0|2,0,0]=4 8204 B13R1.19 CCCC(C)Sc1ccc(cc1)N 62a_100000766640_100000185761 [0,2,0,0,0,0|2,0,0]=4 8205 B13R1.19 CCCC(C)Sc1ccc(cc1)O 62a_100000766640_100000185759 [0,2,0,0,0,0|2,0,0]=4 8206 B13R1.19 CCCN(C)Cc1ccc(cc1)Br 2230a_100000180866_100000210303 [0,2,0,0,0,0|2,0,0]=4 8207 B13R1.19 CCCN(C)Cc1ccc(cc1)Br 2230a_100000747261_100011217064 [0,2,0,0,0,0|2,0,0]=4 8208 B13R1.19 CCCN(C)Cc1ccc(cc1)Br 269982a_100000180866_100000210303 [0,2,0,0,0,0|2,0,0]=4 8209 B13R1.19 CCCN(C)Cc1ccc(cc1)Br 269982a_100000747261_100011217064 [0,2,0,0,0,0|2,0,0]=4 8210 B13R1.19 CCCN(C)Cc1ccc(cc1)Br 26a_100000747261_100000185759 [0,2,0,0,0,0|2,0,0]=4 8211 B13R1.19 CCCN(C)Cc1ccc(cc1)Br 270004a_100000747261_100000186029 [0,2,0,0,0,0|2,0,0]=4 8212 B13R1.19 CCCN(C)Cc1ccc(cc1)C 2230a_100000186941_200000210301 [0,2,0,0,0,0|2,0,0]=4 8213 B13R1.19 CCCN(C)Cc1ccc(cc1)C 2230a_100000744650_100000210303 [0,2,0,0,0,0|2,0,0]=4 8214 B13R1.19 CCCN(C)Cc1ccc(cc1)C 2230a_100000747261_100000210814 [0,2,0,0,0,0|2,0,0]=4 8215 B13R1.19 CCCN(C)Cc1ccc(cc1)C 269982a_100000186941_200000210301 [0,2,0,0,0,0|2,0,0]=4 8216 B13R1.19 CCCN(C)Cc1ccc(cc1)C 269982a_100000744650_100000210303 [0,2,0,0,0,0|2,0,0]=4 8217 B13R1.19 CCCN(C)Cc1ccc(cc1)C 269982a_100000747261_100000210814 [0,2,0,0,0,0|2,0,0]=4 8218 B13R1.19 CCCN(C)Cc1ccc(cc1)C 26a_100000747261_200020625495 [0,2,0,0,0,0|2,0,0]=4 8219 B13R1.19 CCCN(C)Cc1ccc(cc1)C 270004a_100000747261_100000211033 [0,2,0,0,0,0|2,0,0]=4 8220 B13R1.19 CCCN(C)Cc1ccc(cc1)C 34a_100000186941_200000210301 [0,2,0,0,0,0|2,0,0]=4 8221 B13R1.19 CCCN(C)Cc1ccc(cc1)C 34a_100000744650_100000210303 [0,2,0,0,0,0|2,0,0]=4 8222 B13R1.19 CCCN(C)Cc1ccc(cc1)Cl 2230a_100000184517_100000210303 [0,2,0,0,0,0|2,0,0]=4 8223 B13R1.19 CCCN(C)Cc1ccc(cc1)Cl 2230a_100000747261_100000694040 [0,2,0,0,0,0|2,0,0]=4 8224 B13R1.19 CCCN(C)Cc1ccc(cc1)Cl 2230a_100020603295_200000210301 [0,2,0,0,0,0|2,0,0]=4 8225 B13R1.19 CCCN(C)Cc1ccc(cc1)Cl 269982a_100000184517_100000210303 [0,2,0,0,0,0|2,0,0]=4 8226 B13R1.19 CCCN(C)Cc1ccc(cc1)Cl 269982a_100000747261_100000187161 [0,2,0,0,0,0|2,0,0]=4 8227 B13R1.19 CCCN(C)Cc1ccc(cc1)Cl 269982a_100020603295_200000210301 [0,2,0,0,0,0|2,0,0]=4 8228 B13R1.19 CCCN(C)Cc1ccc(cc1)Cl 270004a_100000747261_100000189385 [0,2,0,0,0,0|2,0,0]=4 8229 B13R1.19 CCCN(C)Cc1ccc(cc1)Cl 34a_100000184517_100000210303 [0,2,0,0,0,0|2,0,0]=4 8230 B13R1.19 CCCN(C)Cc1ccc(cc1)Cl 34a_100020603295_200000210301 [0,2,0,0,0,0|2,0,0]=4 8231 B13R1.19 CCCN(C)Cc1ccc(cc1)F 2230a_100000184576_100000210303 [0,2,0,0,0,0|2,0,0]=4 8232 B13R1.19 CCCN(C)Cc1ccc(cc1)F 2230a_100000188862_200000210301 [0,2,0,0,0,0|2,0,0]=4 8233 B13R1.19 CCCN(C)Cc1ccc(cc1)F 2230a_100000747261_100000198546 [0,2,0,0,0,0|2,0,0]=4 8234 B13R1.19 CCCN(C)Cc1ccc(cc1)F 269982a_100000184576_100000210303 [0,2,0,0,0,0|2,0,0]=4 8235 B13R1.19 CCCN(C)Cc1ccc(cc1)F 269982a_100000188862_200000210301 [0,2,0,0,0,0|2,0,0]=4 8236 B13R1.19 CCCN(C)Cc1ccc(cc1)F 269982a_100000747261_100000198546 [0,2,0,0,0,0|2,0,0]=4 8237 B13R1.19 CCCN(C)Cc1ccc(cc1)F 270004a_100000747261_100000210084 [0,2,0,0,0,0|2,0,0]=4 8238 B13R1.19 CCCN(C)Cc1ccc(cc1)F 34a_100000184576_100000210303 [0,2,0,0,0,0|2,0,0]=4 8239 B13R1.19 CCCN(C)Cc1ccc(cc1)F 34a_100000188862_200000210301 [0,2,0,0,0,0|2,0,0]=4 8240 B13R1.19 CCCN(C)Cc1ccc(cc1)I 2230a_100000747261_100000189116 [0,2,0,0,0,0|2,0,0]=4 8241 B13R1.19 CCCN(C)Cc1ccc(cc1)I 269982a_100000747261_100000189116 [0,2,0,0,0,0|2,0,0]=4 8242 B13R1.19 CCCN(C)Cc1ccc(cc1)O 2230a_100000207500_100000210303 [0,2,0,0,0,0|2,0,0]=4 8243 B13R1.19 CCCN(C)Cc1ccc(cc1)O 269982a_100000207500_100000210303 [0,2,0,0,0,0|2,0,0]=4 8244 B13R1.19 CCCN([13CH3])Cc1ccc(cc1)C 2230a_100000186941_200025704644 [0,2,0,0,0,0|2,0,0]=4 8245 B13R1.19 CCCN([13CH3])Cc1ccc(cc1)C 269982a_100000186941_200025704644 [0,2,0,0,0,0|2,0,0]=4 8246 B13R1.19 CCCN([13CH3])Cc1ccc(cc1)C 34a_100000186941_200025704644 [0,2,0,0,0,0|2,0,0]=4 8247 B13R1.19 CCCN([13CH3])Cc1ccc(cc1)Cl 2230a_100020603295_200025704644 [0,2,0,0,0,0|2,0,0]=4 8248 B13R1.19 CCCN([13CH3])Cc1ccc(cc1)Cl 269982a_100020603295_200025704644 [0,2,0,0,0,0|2,0,0]=4 8249 B13R1.19 CCCN([13CH3])Cc1ccc(cc1)Cl 34a_100020603295_200025704644 [0,2,0,0,0,0|2,0,0]=4 8250 B13R1.19 CCCN([13CH3])Cc1ccc(cc1)F 2230a_100000188862_200025704644 [0,2,0,0,0,0|2,0,0]=4 8251 B13R1.19 CCCN([13CH3])Cc1ccc(cc1)F 269982a_100000188862_200025704644 [0,2,0,0,0,0|2,0,0]=4 8252 B13R1.19 CCCN([13CH3])Cc1ccc(cc1)F 34a_100000188862_200025704644 [0,2,0,0,0,0|2,0,0]=4 8253 B13R1.19 CCNC(=O)Cc1ccc(cc1)Br 11a_100015525214_100000198978 [0,2,0,0,0,0|1,0,1]=4 8254 B13R1.19 CCNC(=O)Cc1ccc(cc1)Br 240690a_100015525214_100000198978 [0,2,0,0,0,0|1,0,1]=4 8255 B13R1.19 CCNC(=O)Cc1ccc(cc1)Br 527a_100015525214_100000198978 [0,2,0,0,0,0|1,0,1]=4 8256 B13R1.19 CCNC(=O)Cc1ccc(cc1)C 11a_100015525214_100000212244 [0,2,0,0,0,0|1,0,1]=4 8257 B13R1.19 CCNC(=O)Cc1ccc(cc1)C 240690a_100015525214_100000212244 [0,2,0,0,0,0|1,0,1]=4 8258 B13R1.19 CCNC(=O)Cc1ccc(cc1)C 527a_100015525214_100000212244 [0,2,0,0,0,0|1,0,1]=4 8259 B13R1.19 CCNC(=O)Cc1ccc(cc1)Cl 11a_100015525214_100000211027 [0,2,0,0,0,0|1,0,1]=4 8260 B13R1.19 CCNC(=O)Cc1ccc(cc1)Cl 240690a_100015525214_100000211027 [0,2,0,0,0,0|1,0,1]=4 8261 B13R1.19 CCNC(=O)Cc1ccc(cc1)Cl 527a_100015525214_100000211027 [0,2,0,0,0,0|1,0,1]=4 8262 B13R1.19 CCNC(=O)Cc1ccc(cc1)F 11a_100015525214_100000210951 [0,2,0,0,0,0|1,0,1]=4 8263 B13R1.19 CCNC(=O)Cc1ccc(cc1)F 240690a_100015525214_100000210951 [0,2,0,0,0,0|1,0,1]=4 8264 B13R1.19 CCNC(=O)Cc1ccc(cc1)F 527a_100015525214_100000210951 [0,2,0,0,0,0|1,0,1]=4 8265 B13R1.19 CCNC(=O)Cc1ccc(cc1)I 11a_100015525214_100000688869 [0,2,0,0,0,0|1,0,1]=4 8266 B13R1.19 CCNC(=O)Cc1ccc(cc1)I 240690a_100015525214_100000688869 [0,2,0,0,0,0|1,0,1]=4 8267 B13R1.19 CCNC(=O)Cc1ccc(cc1)I 527a_100015525214_100000688869 [0,2,0,0,0,0|1,0,1]=4 8268 B13R1.19 CCNC(=O)Cc1ccc(cc1)O 240690a_100015525214_100000198540 [0,2,0,0,0,0|1,0,1]=4 8269 B13R1.19 CCNC(=O)Cc1ccc(cc1)O 527a_100015525214_100000198540 [0,2,0,0,0,0|1,0,1]=4 8270 B13R1.19 CCNC(C)Cc1ccc(cc1)Br 270004a_100015525214_100000691760 [0,2,0,0,0,0|0,0,0]=2 8271 B13R1.19 CCNC(C)Cc1ccc(cc1)C 270004a_100015525214_100000751045 [0,2,0,0,0,0|0,0,0]=2 8272 B13R1.19 CCNC(C)Cc1ccc(cc1)Cl 270004a_100015525214_100000747806 [0,2,0,0,0,0|0,0,0]=2 8273 B13R1.19 CCNC(C)Cc1ccc(cc1)F 270004a_100015525214_100000745281 [0,2,0,0,0,0|0,0,0]=2 8274 B13R1.19 CCNC(C)Cc1ccc(cc1)O 2230a_100102634573_100000210202 [0,2,0,0,0,0|0,0,0]=2 8275 B13R1.19 CCNC(C)Cc1ccc(cc1)O 270004a_100015525214_100011218180 [0,2,0,0,0,0|0,0,0]=2 8276 B13R1.19 CCNC(C)Cc1ccc(cc1)O 34a_100102634573_100000210202 [0,2,0,0,0,0|0,0,0]=2 8277 B13R1.19 CCOC(C)Cc1ccc(cc1)F 34a_100011351027_100000210202 [0,2,0,0,0,0|1,0,0]=3 8278 B13R1.19 CCOC(C)Cc1ccc(cc1)F 7a_100011351027_100000210202 [0,2,0,0,0,0|1,0,0]=3 8279 B13R1.19 CCOC(C)Oc1ccc(cc1)O 271570a_203496583355_100009812852 [0,2,0,0,0,0|2,0,0]=4 8280 B13R1.19 CN(CCF)Cc1ccc(cc1)Br 2230a_100000180866_100011217306 [0,2,0,0,0,0|2,0,0]=4 8281 B13R1.19 CN(CCF)Cc1ccc(cc1)Br 269982a_100000180866_100011217306 [0,2,0,0,0,0|2,0,0]=4 8282 B13R1.19 CN(CCF)Cc1ccc(cc1)Cl 2230a_100000184517_100011217306 [0,2,0,0,0,0|2,0,0]=4 8283 B13R1.19 CN(CCF)Cc1ccc(cc1)Cl 269982a_100000184517_100011217306 [0,2,0,0,0,0|2,0,0]=4 8284 B13R1.19 CN(CCF)Cc1ccc(cc1)Cl 34a_100000184517_100011217306 [0,2,0,0,0,0|2,0,0]=4 8285 B13R1.19 CN(CCF)Cc1ccc(cc1)F 2230a_100000184576_100011217306 [0,2,0,0,0,0|2,0,0]=4 8286 B13R1.19 CN(CCF)Cc1ccc(cc1)F 269982a_100000184576_100011217306 [0,2,0,0,0,0|2,0,0]=4 8287 B13R1.19 CN(CCF)Cc1ccc(cc1)F 34a_100000184576_100011217306 [0,2,0,0,0,0|2,0,0]=4 8288 B13R1.19 CN(CCF)Cc1ccc(cc1)O 2230a_100000207500_100011217306 [0,2,0,0,0,0|2,0,0]=4 8289 B13R1.19 CN(CCF)Cc1ccc(cc1)O 269982a_100000207500_100011217306 [0,2,0,0,0,0|2,0,0]=4 8290 B13R1.19 CN(CCO)Cc1ccc(cc1)Br 2230a_100000180866_100000211926 [0,2,0,0,0,0|2,0,0]=4 8291 B13R1.19 CN(CCO)Cc1ccc(cc1)Br 2230a_100000186819_200000210301 [0,2,0,0,0,0|2,0,0]=4 8292 B13R1.19 CN(CCO)Cc1ccc(cc1)Br 2230a_100000210263_100011217064 [0,2,0,0,0,0|2,0,0]=4 8293 B13R1.19 CN(CCO)Cc1ccc(cc1)Br 269982a_100000180866_100000211926 [0,2,0,0,0,0|2,0,0]=4 8294 B13R1.19 CN(CCO)Cc1ccc(cc1)Br 269982a_100000186819_200000210301 [0,2,0,0,0,0|2,0,0]=4 8295 B13R1.19 CN(CCO)Cc1ccc(cc1)Br 269982a_100000210263_100011217064 [0,2,0,0,0,0|2,0,0]=4 8296 B13R1.19 CN(CCO)Cc1ccc(cc1)Br 26a_100000210263_100000185759 [0,2,0,0,0,0|2,0,0]=4 8297 B13R1.19 CN(CCO)Cc1ccc(cc1)Br 270004a_100000210263_100000186029 [0,2,0,0,0,0|2,0,0]=4 8298 B13R1.19 CN(CCO)Cc1ccc(cc1)Br 34a_100000186819_200000210301 [0,2,0,0,0,0|2,0,0]=4 8299 B13R1.19 CN(CCO)Cc1ccc(cc1)Cl 2230a_100000184517_100000211926 [0,2,0,0,0,0|2,0,0]=4 8300 B13R1.19 CN(CCO)Cc1ccc(cc1)Cl 2230a_100000210263_100000694040 [0,2,0,0,0,0|2,0,0]=4 8301 B13R1.19 CN(CCO)Cc1ccc(cc1)Cl 269982a_100000184517_100000211926 [0,2,0,0,0,0|2,0,0]=4 8302 B13R1.19 CN(CCO)Cc1ccc(cc1)Cl 269982a_100000210263_100000187161 [0,2,0,0,0,0|2,0,0]=4 8303 B13R1.19 CN(CCO)Cc1ccc(cc1)Cl 270004a_100000210263_100000189385 [0,2,0,0,0,0|2,0,0]=4 8304 B13R1.19 CN(CCO)Cc1ccc(cc1)Cl 34a_100000184517_100000211926 [0,2,0,0,0,0|2,0,0]=4 8305 B13R1.19 CN(CCO)Cc1ccc(cc1)F 2230a_100000184576_100000211926 [0,2,0,0,0,0|2,0,0]=4 8306 B13R1.19 CN(CCO)Cc1ccc(cc1)F 2230a_100000210263_100000198546 [0,2,0,0,0,0|2,0,0]=4 8307 B13R1.19 CN(CCO)Cc1ccc(cc1)F 2230a_100015183715_200000210301 [0,2,0,0,0,0|2,0,0]=4 8308 B13R1.19 CN(CCO)Cc1ccc(cc1)F 269982a_100000184576_100000211926 [0,2,0,0,0,0|2,0,0]=4 8309 B13R1.19 CN(CCO)Cc1ccc(cc1)F 269982a_100000210263_100000198546 [0,2,0,0,0,0|2,0,0]=4 8310 B13R1.19 CN(CCO)Cc1ccc(cc1)F 269982a_100015183715_200000210301 [0,2,0,0,0,0|2,0,0]=4 8311 B13R1.19 CN(CCO)Cc1ccc(cc1)F 270004a_100000210263_100000210084 [0,2,0,0,0,0|2,0,0]=4 8312 B13R1.19 CN(CCO)Cc1ccc(cc1)F 34a_100000184576_100000211926 [0,2,0,0,0,0|2,0,0]=4 8313 B13R1.19 CN(CCO)Cc1ccc(cc1)F 34a_100015183715_200000210301 [0,2,0,0,0,0|2,0,0]=4 8314 B13R1.19 CN(CCO)Cc1ccc(cc1)I 2230a_100000210263_100000189116 [0,2,0,0,0,0|2,0,0]=4 8315 B13R1.19 CN(CCO)Cc1ccc(cc1)I 269982a_100000210263_100000189116 [0,2,0,0,0,0|2,0,0]=4 8316 B13R1.19 CN(CCO)Cc1ccc(cc1)O 2230a_100000207500_100000211926 [0,2,0,0,0,0|2,0,0]=4 8317 B13R1.19 CN(CCO)Cc1ccc(cc1)O 269982a_100000207500_100000211926 [0,2,0,0,0,0|2,0,0]=4 8318 B13R1.19 CNCC(C)Oc1ccc(cc1)C 2230a_100000763606_200000210301 [0,2,0,0,0,0|1,0,0]=3 8319 B13R1.19 CNCC(C)Oc1ccc(cc1)C 34a_100000763606_200000210301 [0,2,0,0,0,0|1,0,0]=3 8320 B13R1.19 CNCC(C)Oc1ccc(cc1)F 2230a_106832991635_100010228477 [0,2,0,0,0,0|1,0,0]=3 8321 B13R1.19 CNCC(C)Oc1ccc(cc1)F 2230a_200020586543_200000210301 [0,2,0,0,0,0|1,0,0]=3 8322 B13R1.19 CNCC(C)Oc1ccc(cc1)F 34a_100102657272_100010228477 [0,2,0,0,0,0|1,0,0]=3 8323 B13R1.19 CNCC(C)Oc1ccc(cc1)F 34a_200020586543_200000210301 [0,2,0,0,0,0|1,0,0]=3 8324 B13R1.19 CNCC(C)Oc1ccc(cc1)F 7a_106832991635_100010228477 [0,2,0,0,0,0|1,0,0]=3 8325 B13R1.19 CNNC(=O)Cc1ccc(cc1)Br 22a_100016993582_100000198978 [0,2,0,0,0,0|1,0,1]=4 8326 B13R1.19 CNNC(=O)Cc1ccc(cc1)C 22a_100016993582_100000212244 [0,2,0,0,0,0|1,0,1]=4 8327 B13R1.19 CNNC(=O)Cc1ccc(cc1)Cl 22a_100016993582_100000211027 [0,2,0,0,0,0|1,0,1]=4 8328 B13R1.19 CNNC(=O)Cc1ccc(cc1)F 22a_100016993582_100000210951 [0,2,0,0,0,0|1,0,1]=4 8329 B13R1.19 CNNC(=O)Cc1ccc(cc1)I 22a_100016993582_100000688869 [0,2,0,0,0,0|1,0,1]=4 8330 B13R1.19 CNNC(=O)Cc1ccc(cc1)O 22a_100016993582_100000198540 [0,2,0,0,0,0|1,0,1]=4 8331 B13R1.19 COCC(C)Nc1ccc(cc1)Br 2230a_100000210018_100000765312 [0,2,0,0,0,0|2,0,0]=4 8332 B13R1.19 COCC(C)Nc1ccc(cc1)Br 34a_100000210018_100000765312 [0,2,0,0,0,0|2,0,0]=4 8333 B13R1.19 COCC(C)Nc1ccc(cc1)C 34a_100000124888_100000765312 [0,2,0,0,0,0|2,0,0]=4 8334 B13R1.19 COCC(C)Nc1ccc(cc1)Cl 2230a_100000210052_100000765312 [0,2,0,0,0,0|2,0,0]=4 8335 B13R1.19 COCC(C)Nc1ccc(cc1)Cl 34a_100000210052_100000765312 [0,2,0,0,0,0|2,0,0]=4 8336 B13R1.19 COCC(C)Nc1ccc(cc1)F 34a_100000185862_100000765312 [0,2,0,0,0,0|2,0,0]=4 8337 B13R1.19 COCC(C)Nc1ccc(cc1)I 34a_100000185761_100000765312 [0,2,0,0,0,0|2,0,0]=4 8338 B13R1.19 COCC(C)Nc1ccc(cc1)O 34a_100000185829_100000765312 [0,2,0,0,0,0|2,0,0]=4 8339 B13R1.19 COCC(C)Oc1ccc(cc1)Br 34a_100000185759_100000765312 [0,2,0,0,0,0|2,0,0]=4 8340 B13R1.19 COCC(C)Oc1ccc(cc1)Br 7a_100000185759_100000765312 [0,2,0,0,0,0|2,0,0]=4 8341 B13R1.19 COCC(C)Oc1ccc(cc1)C 34a_100000210336_100000765312 [0,2,0,0,0,0|2,0,0]=4 8342 B13R1.19 COCC(C)Oc1ccc(cc1)C 7a_100000210336_100000765312 [0,2,0,0,0,0|2,0,0]=4 8343 B13R1.19 COCC(C)Oc1ccc(cc1)Cl 34a_100000210216_100000765312 [0,2,0,0,0,0|2,0,0]=4 8344 B13R1.19 COCC(C)Oc1ccc(cc1)Cl 7a_100000210216_100000765312 [0,2,0,0,0,0|2,0,0]=4 8345 B13R1.19 COCC(C)Oc1ccc(cc1)F 34a_100000210339_100000765312 [0,2,0,0,0,0|2,0,0]=4 8346 B13R1.19 COCC(C)Oc1ccc(cc1)F 34a_100138415774_100010228477 [0,2,0,0,0,0|2,0,0]=4 8347 B13R1.19 COCC(C)Oc1ccc(cc1)I 34a_100000212066_100000765312 [0,2,0,0,0,0|2,0,0]=4 8348 B13R1.19 COCC(C)Oc1ccc(cc1)I 7a_100000212066_100000765312 [0,2,0,0,0,0|2,0,0]=4 8349 B13R1.19 COCC(C)Oc1ccc(cc1)N 34a_100000185829_100000765312 [0,2,0,0,0,0|2,0,0]=4 8350 B13R1.19 COCC(C)Sc1ccc(cc1)Br 62a_100000752885_100000765312 [0,2,0,0,0,0|2,0,0]=4 8351 B13R1.19 COCC(C)Sc1ccc(cc1)Br 62a_100000765312_100000752885 [0,2,0,0,0,0|2,0,0]=4 8352 B13R1.19 COCC(C)Sc1ccc(cc1)C 62a_100000186775_100000765312 [0,2,0,0,0,0|2,0,0]=4 8353 B13R1.19 COCC(C)Sc1ccc(cc1)C 62a_100000765312_100000186775 [0,2,0,0,0,0|2,0,0]=4 8354 B13R1.19 COCC(C)Sc1ccc(cc1)Cl 62a_100000755918_100000765312 [0,2,0,0,0,0|2,0,0]=4 8355 B13R1.19 COCC(C)Sc1ccc(cc1)Cl 62a_100000765312_100000755918 [0,2,0,0,0,0|2,0,0]=4 8356 B13R1.19 COCC(C)Sc1ccc(cc1)F 62a_100000211213_100000765312 [0,2,0,0,0,0|2,0,0]=4 8357 B13R1.19 COCC(C)Sc1ccc(cc1)F 62a_100000765312_100000211213 [0,2,0,0,0,0|2,0,0]=4 8358 B13R1.19 COCC(C)Sc1ccc(cc1)N 62a_100000185761_100000765312 [0,2,0,0,0,0|2,0,0]=4 8359 B13R1.19 COCC(C)Sc1ccc(cc1)N 62a_100000765312_100000185761 [0,2,0,0,0,0|2,0,0]=4 8360 B13R1.19 COCC(C)Sc1ccc(cc1)O 62a_100000765312_100000185759 [0,2,0,0,0,0|2,0,0]=4 8361 B13R1.19 COCC(N)Cc1ccc(cc1)Cl 34a_100025702442_200000210301 [0,2,0,0,0,0|2,0,0]=4 8362 B13R1.19 COCN(C)Cc1ccc(cc1)Br 2230a_100000180866_100000766300 [0,2,0,0,0,0|2,0,0]=4 8363 B13R1.19 COCN(C)Cc1ccc(cc1)Br 269982a_100000180866_100000766300 [0,2,0,0,0,0|2,0,0]=4 8364 B13R1.19 COCN(C)Cc1ccc(cc1)C 2230a_100000744650_100000766300 [0,2,0,0,0,0|2,0,0]=4 8365 B13R1.19 COCN(C)Cc1ccc(cc1)C 269982a_100000744650_100000766300 [0,2,0,0,0,0|2,0,0]=4 8366 B13R1.19 COCN(C)Cc1ccc(cc1)Cl 2230a_100000184517_100000766300 [0,2,0,0,0,0|2,0,0]=4 8367 B13R1.19 COCN(C)Cc1ccc(cc1)Cl 269982a_100000184517_100000766300 [0,2,0,0,0,0|2,0,0]=4 8368 B13R1.19 COCN(C)Cc1ccc(cc1)F 2230a_100000184576_100000766300 [0,2,0,0,0,0|2,0,0]=4 8369 B13R1.19 COCN(C)Cc1ccc(cc1)F 269982a_100000184576_100000766300 [0,2,0,0,0,0|2,0,0]=4 8370 B13R1.19 COCN(C)Cc1ccc(cc1)O 2230a_100000207500_100000766300 [0,2,0,0,0,0|2,0,0]=4 8371 B13R1.19 COCN(C)Cc1ccc(cc1)O 269982a_100000207500_100000766300 [0,2,0,0,0,0|2,0,0]=4 8372 B13R1.19 CSCC(C)Oc1ccc(cc1)F 62a_100010228477_200000210301 [0,2,0,0,0,0|2,0,0]=4 8373 B13R1.19 CSCC(C)Oc1ccc(cc1)F 62a_200000210301_100010228477 [0,2,0,0,0,0|2,0,0]=4 8374 B13R1.19 CSCN(C)Cc1ccc(cc1)Br 2230a_100000180866_100011218213 [0,2,0,0,0,0|2,0,0]=4 8375 B13R1.19 CSCN(C)Cc1ccc(cc1)Br 269982a_100000180866_100011218213 [0,2,0,0,0,0|2,0,0]=4 8376 B13R1.19 CSCN(C)Cc1ccc(cc1)C 2230a_100000744650_100011218213 [0,2,0,0,0,0|2,0,0]=4 8377 B13R1.19 CSCN(C)Cc1ccc(cc1)C 269982a_100000744650_100011218213 [0,2,0,0,0,0|2,0,0]=4 8378 B13R1.19 CSCN(C)Cc1ccc(cc1)C 34a_100000744650_100011218213 [0,2,0,0,0,0|2,0,0]=4 8379 B13R1.19 CSCN(C)Cc1ccc(cc1)Cl 2230a_100000184517_100011218213 [0,2,0,0,0,0|2,0,0]=4 8380 B13R1.19 CSCN(C)Cc1ccc(cc1)Cl 269982a_100000184517_100011218213 [0,2,0,0,0,0|2,0,0]=4 8381 B13R1.19 CSCN(C)Cc1ccc(cc1)Cl 34a_100000184517_100011218213 [0,2,0,0,0,0|2,0,0]=4 8382 B13R1.19 CSCN(C)Cc1ccc(cc1)F 2230a_100000184576_100011218213 [0,2,0,0,0,0|2,0,0]=4 8383 B13R1.19 CSCN(C)Cc1ccc(cc1)F 269982a_100000184576_100011218213 [0,2,0,0,0,0|2,0,0]=4 8384 B13R1.19 CSCN(C)Cc1ccc(cc1)F 34a_100000184576_100011218213 [0,2,0,0,0,0|2,0,0]=4 8385 B13R1.19 CSCN(C)Cc1ccc(cc1)O 2230a_100000207500_100011218213 [0,2,0,0,0,0|2,0,0]=4 8386 B13R1.19 CSCN(C)Cc1ccc(cc1)O 269982a_100000207500_100011218213 [0,2,0,0,0,0|2,0,0]=4 8387 B13R1.19 Cc1ccc(cc1)CN(C)CCF 2230a_100000744650_100011217306 [0,2,0,0,0,0|2,0,0]=4 8388 B13R1.19 Cc1ccc(cc1)CN(C)CCF 269982a_100000744650_100011217306 [0,2,0,0,0,0|2,0,0]=4 8389 B13R1.19 Cc1ccc(cc1)CN(C)CCF 34a_100000744650_100011217306 [0,2,0,0,0,0|2,0,0]=4 8390 B13R1.19 Cc1ccc(cc1)CN(C)CCO 2230a_100000186992_200000210301 [0,2,0,0,0,0|2,0,0]=4 8391 B13R1.19 Cc1ccc(cc1)CN(C)CCO 2230a_100000210263_100000210814 [0,2,0,0,0,0|2,0,0]=4 8392 B13R1.19 Cc1ccc(cc1)CN(C)CCO 2230a_100000744650_100000211926 [0,2,0,0,0,0|2,0,0]=4 8393 B13R1.19 Cc1ccc(cc1)CN(C)CCO 269982a_100000186992_200000210301 [0,2,0,0,0,0|2,0,0]=4 8394 B13R1.19 Cc1ccc(cc1)CN(C)CCO 269982a_100000210263_100000210814 [0,2,0,0,0,0|2,0,0]=4 8395 B13R1.19 Cc1ccc(cc1)CN(C)CCO 269982a_100000744650_100000211926 [0,2,0,0,0,0|2,0,0]=4 8396 B13R1.19 Cc1ccc(cc1)CN(C)CCO 26a_100000210263_200020625495 [0,2,0,0,0,0|2,0,0]=4 8397 B13R1.19 Cc1ccc(cc1)CN(C)CCO 270004a_100000210263_100000211033 [0,2,0,0,0,0|2,0,0]=4 8398 B13R1.19 Cc1ccc(cc1)CN(C)CCO 34a_100000186992_200000210301 [0,2,0,0,0,0|2,0,0]=4 8399 B13R1.19 Cc1ccc(cc1)CN(C)CCO 34a_100000744650_100000211926 [0,2,0,0,0,0|2,0,0]=4 8400 B13R1.19 Cc1ccc(cc1)CN([13CH3])CCO 2230a_100000186992_200025704644 [0,2,0,0,0,0|2,0,0]=4 8401 B13R1.19 Cc1ccc(cc1)CN([13CH3])CCO 269982a_100000186992_200025704644 [0,2,0,0,0,0|2,0,0]=4 8402 B13R1.19 Cc1ccc(cc1)CN([13CH3])CCO 34a_100000186992_200025704644 [0,2,0,0,0,0|2,0,0]=4 8403 B13R1.19 Cc1ccc(cc1)NC(C)CCO 34a_100000124888_100009893172 [0,2,0,0,0,0|2,0,0]=4 8404 B13R1.19 Cc1ccc(cc1)OC(C)CCO 34a_100000210336_100009893172 [0,2,0,0,0,0|2,0,0]=4 8405 B13R1.19 Cc1ccc(cc1)OC(C)CCO 7a_100000210336_100009893172 [0,2,0,0,0,0|2,0,0]=4 8406 B13R1.19 Cc1ccc(cc1)OC(C)CN[13CH3] 2230a_100000763606_200025704644 [0,2,0,0,0,0|1,0,0]=3 8407 B13R1.19 Cc1ccc(cc1)OC(C)CN[13CH3] 34a_100000763606_200025704644 [0,2,0,0,0,0|1,0,0]=3 8408 B13R1.19 Cc1ccc(cc1)SC(C)CCO 62a_100000186775_100009893172 [0,2,0,0,0,0|2,0,0]=4 8409 B13R1.19 Cc1ccc(cc1)SC(C)CCO 62a_100009893172_100000186775 [0,2,0,0,0,0|2,0,0]=4 8410 B13R1.19 [13CH3]N(CCO)Cc1ccc(cc1)Br 2230a_100000186819_200025704644 [0,2,0,0,0,0|2,0,0]=4 8411 B13R1.19 [13CH3]N(CCO)Cc1ccc(cc1)Br 269982a_100000186819_200025704644 [0,2,0,0,0,0|2,0,0]=4 8412 B13R1.19 [13CH3]N(CCO)Cc1ccc(cc1)Br 34a_100000186819_200025704644 [0,2,0,0,0,0|2,0,0]=4 8413 B13R1.19 [13CH3]N(CCO)Cc1ccc(cc1)F 2230a_100015183715_200025704644 [0,2,0,0,0,0|2,0,0]=4 8414 B13R1.19 [13CH3]N(CCO)Cc1ccc(cc1)F 269982a_100015183715_200025704644 [0,2,0,0,0,0|2,0,0]=4 8415 B13R1.19 [13CH3]N(CCO)Cc1ccc(cc1)F 34a_100015183715_200025704644 [0,2,0,0,0,0|2,0,0]=4 8416 B13R1.19 [13CH3]OCC(N)Cc1ccc(cc1)Cl 34a_100025702442_200025704644 [0,2,0,0,0,0|2,0,0]=4 8417 B13R1.20 CC(CCO)Nc1cccc(c1)Br 34a_100000210019_100009893172 [0,2,0,0,0,0|2,0,0]=4 8418 B13R1.20 CC(CCO)Nc1cccc(c1)Cl 34a_100000185859_100009893172 [0,2,0,0,0,0|2,0,0]=4 8419 B13R1.20 CC(CCO)Nc1cccc(c1)F 34a_100000210047_100009893172 [0,2,0,0,0,0|2,0,0]=4 8420 B13R1.20 CC(CCO)Nc1cccc(c1)I 34a_100000211102_100009893172 [0,2,0,0,0,0|2,0,0]=4 8421 B13R1.20 CC(CCO)Nc1cccc(c1)O 34a_100000210217_100009893172 [0,2,0,0,0,0|2,0,0]=4 8422 B13R1.20 CC(CCO)Oc1cccc(c1)Br 34a_100000210342_100009893172 [0,2,0,0,0,0|2,0,0]=4 8423 B13R1.20 CC(CCO)Oc1cccc(c1)Br 7a_100000210342_100009893172 [0,2,0,0,0,0|2,0,0]=4 8424 B13R1.20 CC(CCO)Oc1cccc(c1)Cl 34a_100000210295_100009893172 [0,2,0,0,0,0|2,0,0]=4 8425 B13R1.20 CC(CCO)Oc1cccc(c1)Cl 7a_100000210295_100009893172 [0,2,0,0,0,0|2,0,0]=4 8426 B13R1.20 CC(CCO)Oc1cccc(c1)F 34a_100000210426_100009893172 [0,2,0,0,0,0|2,0,0]=4 8427 B13R1.20 CC(CCO)Oc1cccc(c1)F 7a_100000210426_100009893172 [0,2,0,0,0,0|2,0,0]=4 8428 B13R1.20 CC(CCO)Oc1cccc(c1)I 34a_100000211634_100009893172 [0,2,0,0,0,0|2,0,0]=4 8429 B13R1.20 CC(CCO)Oc1cccc(c1)I 7a_100000211634_100009893172 [0,2,0,0,0,0|2,0,0]=4 8430 B13R1.20 CC(CCO)Oc1cccc(c1)N 34a_100000210217_100009893172 [0,2,0,0,0,0|2,0,0]=4 8431 B13R1.20 CC(CCO)Sc1cccc(c1)Br 62a_100000691529_100009893172 [0,2,0,0,0,0|2,0,0]=4 8432 B13R1.20 CC(CCO)Sc1cccc(c1)Br 62a_100009893172_100000691529 [0,2,0,0,0,0|2,0,0]=4 8433 B13R1.20 CC(CCO)Sc1cccc(c1)Cl 62a_100000699651_100009893172 [0,2,0,0,0,0|2,0,0]=4 8434 B13R1.20 CC(CCO)Sc1cccc(c1)Cl 62a_100009893172_100000699651 [0,2,0,0,0,0|2,0,0]=4 8435 B13R1.20 CC(CCO)Sc1cccc(c1)F 62a_100000685547_100009893172 [0,2,0,0,0,0|2,0,0]=4 8436 B13R1.20 CC(CCO)Sc1cccc(c1)F 62a_100009893172_100000685547 [0,2,0,0,0,0|2,0,0]=4 8437 B13R1.20 CC(CCO)Sc1cccc(c1)N 62a_100000210019_100009893172 [0,2,0,0,0,0|2,0,0]=4 8438 B13R1.20 CC(CCO)Sc1cccc(c1)N 62a_100009893172_100000210019 [0,2,0,0,0,0|2,0,0]=4 8439 B13R1.20 CC(CCO)Sc1cccc(c1)O 62a_100009893172_100000211634 [0,2,0,0,0,0|2,0,0]=4 8440 B13R1.20 CC(CCO)Sc1cccc(c1)[S] 62a_100009893172_114929384022 [0,2,0,0,0,0|2,0,0]=4 8441 B13R1.20 CC(CCO)Sc1cccc(c1)[S] 62a_114929384022_100009893172 [0,2,0,0,0,0|2,0,0]=4 8442 B13R1.20 CCCC(C)Nc1cccc(c1)Br 34a_100000210019_100000766640 [0,2,0,0,0,0|2,0,0]=4 8443 B13R1.20 CCCC(C)Nc1cccc(c1)C 2230a_100000188690_100000766640 [0,2,0,0,0,0|2,0,0]=4 8444 B13R1.20 CCCC(C)Nc1cccc(c1)C 34a_100000188690_100000766640 [0,2,0,0,0,0|2,0,0]=4 8445 B13R1.20 CCCC(C)Nc1cccc(c1)Cl 34a_100000185859_100000766640 [0,2,0,0,0,0|2,0,0]=4 8446 B13R1.20 CCCC(C)Nc1cccc(c1)F 34a_100000210047_100000766640 [0,2,0,0,0,0|2,0,0]=4 8447 B13R1.20 CCCC(C)Nc1cccc(c1)I 34a_100000211102_100000766640 [0,2,0,0,0,0|2,0,0]=4 8448 B13R1.20 CCCC(C)Nc1cccc(c1)O 34a_100000210217_100000766640 [0,2,0,0,0,0|2,0,0]=4 8449 B13R1.20 CCCC(C)Oc1cccc(c1)Br 34a_100000210342_100000766640 [0,2,0,0,0,0|2,0,0]=4 8450 B13R1.20 CCCC(C)Oc1cccc(c1)Br 7a_100000210342_100000766640 [0,2,0,0,0,0|2,0,0]=4 8451 B13R1.20 CCCC(C)Oc1cccc(c1)C 34a_100000210337_100000766640 [0,2,0,0,0,0|2,0,0]=4 8452 B13R1.20 CCCC(C)Oc1cccc(c1)C 7a_100000210337_100000766640 [0,2,0,0,0,0|2,0,0]=4 8453 B13R1.20 CCCC(C)Oc1cccc(c1)Cl 34a_100000210295_100000766640 [0,2,0,0,0,0|2,0,0]=4 8454 B13R1.20 CCCC(C)Oc1cccc(c1)Cl 7a_100000210295_100000766640 [0,2,0,0,0,0|2,0,0]=4 8455 B13R1.20 CCCC(C)Oc1cccc(c1)F 34a_100000210426_100000766640 [0,2,0,0,0,0|2,0,0]=4 8456 B13R1.20 CCCC(C)Oc1cccc(c1)F 7a_100000210426_100000766640 [0,2,0,0,0,0|2,0,0]=4 8457 B13R1.20 CCCC(C)Oc1cccc(c1)I 34a_100000211634_100000766640 [0,2,0,0,0,0|2,0,0]=4 8458 B13R1.20 CCCC(C)Oc1cccc(c1)I 7a_100000211634_100000766640 [0,2,0,0,0,0|2,0,0]=4 8459 B13R1.20 CCCC(C)Oc1cccc(c1)N 34a_100000210217_100000766640 [0,2,0,0,0,0|2,0,0]=4 8460 B13R1.20 CCCC(C)Sc1cccc(c1)Br 62a_100000691529_100000766640 [0,2,0,0,0,0|2,0,0]=4 8461 B13R1.20 CCCC(C)Sc1cccc(c1)Br 62a_100000766640_100000691529 [0,2,0,0,0,0|2,0,0]=4 8462 B13R1.20 CCCC(C)Sc1cccc(c1)C 62a_100000766640_100011215228 [0,2,0,0,0,0|2,0,0]=4 8463 B13R1.20 CCCC(C)Sc1cccc(c1)C 62a_100011215228_100000766640 [0,2,0,0,0,0|2,0,0]=4 8464 B13R1.20 CCCC(C)Sc1cccc(c1)Cl 62a_100000699651_100000766640 [0,2,0,0,0,0|2,0,0]=4 8465 B13R1.20 CCCC(C)Sc1cccc(c1)Cl 62a_100000766640_100000699651 [0,2,0,0,0,0|2,0,0]=4 8466 B13R1.20 CCCC(C)Sc1cccc(c1)F 62a_100000685547_100000766640 [0,2,0,0,0,0|2,0,0]=4 8467 B13R1.20 CCCC(C)Sc1cccc(c1)F 62a_100000766640_100000685547 [0,2,0,0,0,0|2,0,0]=4 8468 B13R1.20 CCCC(C)Sc1cccc(c1)N 62a_100000210019_100000766640 [0,2,0,0,0,0|2,0,0]=4 8469 B13R1.20 CCCC(C)Sc1cccc(c1)N 62a_100000766640_100000210019 [0,2,0,0,0,0|2,0,0]=4 8470 B13R1.20 CCCC(C)Sc1cccc(c1)O 62a_100000766640_100000211634 [0,2,0,0,0,0|2,0,0]=4 8471 B13R1.20 CCCC(C)Sc1cccc(c1)[S] 62a_100000766640_114929384022 [0,2,0,0,0,0|2,0,0]=4 8472 B13R1.20 CCCC(C)Sc1cccc(c1)[S] 62a_114929384022_100000766640 [0,2,0,0,0,0|2,0,0]=4 8473 B13R1.20 CCCN(C)Cc1cccc(c1)Br 2230a_100000187585_100000210303 [0,2,0,0,0,0|2,0,0]=4 8474 B13R1.20 CCCN(C)Cc1cccc(c1)Br 2230a_100000747261_100000698116 [0,2,0,0,0,0|2,0,0]=4 8475 B13R1.20 CCCN(C)Cc1cccc(c1)Br 2230a_100015184641_200000210301 [0,2,0,0,0,0|2,0,0]=4 8476 B13R1.20 CCCN(C)Cc1cccc(c1)Br 269982a_100000187585_100000210303 [0,2,0,0,0,0|2,0,0]=4 8477 B13R1.20 CCCN(C)Cc1cccc(c1)Br 269982a_100000747261_100000211773 [0,2,0,0,0,0|2,0,0]=4 8478 B13R1.20 CCCN(C)Cc1cccc(c1)Br 269982a_100015184641_200000210301 [0,2,0,0,0,0|2,0,0]=4 8479 B13R1.20 CCCN(C)Cc1cccc(c1)Br 26a_100000747261_100000210342 [0,2,0,0,0,0|2,0,0]=4 8480 B13R1.20 CCCN(C)Cc1cccc(c1)Br 270004a_100000747261_100000210085 [0,2,0,0,0,0|2,0,0]=4 8481 B13R1.20 CCCN(C)Cc1cccc(c1)C 2230a_100000747261_100000211840 [0,2,0,0,0,0|2,0,0]=4 8482 B13R1.20 CCCN(C)Cc1cccc(c1)C 2230a_102495364743_100000210303 [0,2,0,0,0,0|2,0,0]=4 8483 B13R1.20 CCCN(C)Cc1cccc(c1)C 269982a_100000747261_100000211840 [0,2,0,0,0,0|2,0,0]=4 8484 B13R1.20 CCCN(C)Cc1cccc(c1)C 269982a_102495364743_100000210303 [0,2,0,0,0,0|2,0,0]=4 8485 B13R1.20 CCCN(C)Cc1cccc(c1)C 270004a_100000747261_100000211157 [0,2,0,0,0,0|2,0,0]=4 8486 B13R1.20 CCCN(C)Cc1cccc(c1)C 34a_102495364743_100000210303 [0,2,0,0,0,0|2,0,0]=4 8487 B13R1.20 CCCN(C)Cc1cccc(c1)Cl 2230a_100000747261_100000181238 [0,2,0,0,0,0|2,0,0]=4 8488 B13R1.20 CCCN(C)Cc1cccc(c1)Cl 2230a_100015184648_200000210301 [0,2,0,0,0,0|2,0,0]=4 8489 B13R1.20 CCCN(C)Cc1cccc(c1)Cl 2230a_100020629429_100000210303 [0,2,0,0,0,0|2,0,0]=4 8490 B13R1.20 CCCN(C)Cc1cccc(c1)Cl 269982a_100000747261_100000181238 [0,2,0,0,0,0|2,0,0]=4 8491 B13R1.20 CCCN(C)Cc1cccc(c1)Cl 269982a_100015184648_200000210301 [0,2,0,0,0,0|2,0,0]=4 8492 B13R1.20 CCCN(C)Cc1cccc(c1)Cl 269982a_100020629429_100000210303 [0,2,0,0,0,0|2,0,0]=4 8493 B13R1.20 CCCN(C)Cc1cccc(c1)Cl 270004a_100000747261_100000210801 [0,2,0,0,0,0|2,0,0]=4 8494 B13R1.20 CCCN(C)Cc1cccc(c1)Cl 34a_100015184648_200000210301 [0,2,0,0,0,0|2,0,0]=4 8495 B13R1.20 CCCN(C)Cc1cccc(c1)F 2230a_100000184398_100000210303 [0,2,0,0,0,0|2,0,0]=4 8496 B13R1.20 CCCN(C)Cc1cccc(c1)F 2230a_100000747261_100000230114 [0,2,0,0,0,0|2,0,0]=4 8497 B13R1.20 CCCN(C)Cc1cccc(c1)F 269982a_100000184398_100000210303 [0,2,0,0,0,0|2,0,0]=4 8498 B13R1.20 CCCN(C)Cc1cccc(c1)F 269982a_100000747261_100000230114 [0,2,0,0,0,0|2,0,0]=4 8499 B13R1.20 CCCN(C)Cc1cccc(c1)F 270004a_100000747261_100000210812 [0,2,0,0,0,0|2,0,0]=4 8500 B13R1.20 CCCN(C)Cc1cccc(c1)F 34a_100000184398_100000210303 [0,2,0,0,0,0|2,0,0]=4 8501 B13R1.20 CCCN(C)Cc1cccc(c1)I 2230a_100000747261_100011218688 [0,2,0,0,0,0|2,0,0]=4 8502 B13R1.20 CCCN(C)Cc1cccc(c1)I 269982a_100000747261_100011218688 [0,2,0,0,0,0|2,0,0]=4 8503 B13R1.20 CCCN(C)Cc1cccc(c1)I 270004a_100000747261_100000014684 [0,2,0,0,0,0|2,0,0]=4 8504 B13R1.20 CCCN(C)Cc1cccc(c1)O 2230a_100000207540_100000210303 [0,2,0,0,0,0|2,0,0]=4 8505 B13R1.20 CCCN(C)Cc1cccc(c1)O 2230a_100000747261_100011660834 [0,2,0,0,0,0|2,0,0]=4 8506 B13R1.20 CCCN(C)Cc1cccc(c1)O 269982a_100000207540_100000210303 [0,2,0,0,0,0|2,0,0]=4 8507 B13R1.20 CCCN(C)Cc1cccc(c1)O 269982a_100000747261_100000084143 [0,2,0,0,0,0|2,0,0]=4 8508 B13R1.20 CCCN(C)Cc1cccc(c1)O 270004a_100000747261_100000188321 [0,2,0,0,0,0|2,0,0]=4 8509 B13R1.20 CCCN([13CH3])Cc1cccc(c1)Br 2230a_100015184641_200025704644 [0,2,0,0,0,0|2,0,0]=4 8510 B13R1.20 CCCN([13CH3])Cc1cccc(c1)Br 269982a_100015184641_200025704644 [0,2,0,0,0,0|2,0,0]=4 8511 B13R1.20 CCCN([13CH3])Cc1cccc(c1)Cl 2230a_100015184648_200025704644 [0,2,0,0,0,0|2,0,0]=4 8512 B13R1.20 CCCN([13CH3])Cc1cccc(c1)Cl 269982a_100015184648_200025704644 [0,2,0,0,0,0|2,0,0]=4 8513 B13R1.20 CCCN([13CH3])Cc1cccc(c1)Cl 34a_100015184648_200025704644 [0,2,0,0,0,0|2,0,0]=4 8514 B13R1.20 CCNC(=O)Cc1cccc(c1)Br 11a_100015525214_100000747190 [0,2,0,0,0,0|1,0,1]=4 8515 B13R1.20 CCNC(=O)Cc1cccc(c1)Br 240690a_100015525214_100000747190 [0,2,0,0,0,0|1,0,1]=4 8516 B13R1.20 CCNC(=O)Cc1cccc(c1)Br 527a_100015525214_100000747190 [0,2,0,0,0,0|1,0,1]=4 8517 B13R1.20 CCNC(=O)Cc1cccc(c1)C 11a_100015525214_100011206899 [0,2,0,0,0,0|1,0,1]=4 8518 B13R1.20 CCNC(=O)Cc1cccc(c1)C 240690a_100015525214_100011206899 [0,2,0,0,0,0|1,0,1]=4 8519 B13R1.20 CCNC(=O)Cc1cccc(c1)C 527a_100015525214_100011206899 [0,2,0,0,0,0|1,0,1]=4 8520 B13R1.20 CCNC(=O)Cc1cccc(c1)Cl 11a_100015525214_100000749307 [0,2,0,0,0,0|1,0,1]=4 8521 B13R1.20 CCNC(=O)Cc1cccc(c1)Cl 240690a_100015525214_100000749307 [0,2,0,0,0,0|1,0,1]=4 8522 B13R1.20 CCNC(=O)Cc1cccc(c1)Cl 527a_100015525214_100000749307 [0,2,0,0,0,0|1,0,1]=4 8523 B13R1.20 CCNC(=O)Cc1cccc(c1)F 11a_100015525214_100000211661 [0,2,0,0,0,0|1,0,1]=4 8524 B13R1.20 CCNC(=O)Cc1cccc(c1)F 240690a_100015525214_100000211661 [0,2,0,0,0,0|1,0,1]=4 8525 B13R1.20 CCNC(=O)Cc1cccc(c1)F 527a_100015525214_100000211661 [0,2,0,0,0,0|1,0,1]=4 8526 B13R1.20 CCNC(=O)Cc1cccc(c1)I 11a_100015525214_100000238430 [0,2,0,0,0,0|1,0,1]=4 8527 B13R1.20 CCNC(=O)Cc1cccc(c1)I 240690a_100015525214_100000238430 [0,2,0,0,0,0|1,0,1]=4 8528 B13R1.20 CCNC(=O)Cc1cccc(c1)I 527a_100015525214_100000238430 [0,2,0,0,0,0|1,0,1]=4 8529 B13R1.20 CCNC(=O)Cc1cccc(c1)O 240690a_100015525214_100000745134 [0,2,0,0,0,0|1,0,1]=4 8530 B13R1.20 CCNC(=O)Cc1cccc(c1)O 527a_100015525214_100000745134 [0,2,0,0,0,0|1,0,1]=4 8531 B13R1.20 CCNC(C)Cc1cc(ccn1)C 270004a_100015525214_200015184229 [0,2,0,0,0,0|1,0,0]=3 8532 B13R1.20 CCNC(C)Cc1cccc(c1)Br 270004a_100015525214_100000689217 [0,2,0,0,0,0|0,0,0]=2 8533 B13R1.20 CCNC(C)Cc1cccc(c1)Cl 270004a_100015525214_100000727212 [0,2,0,0,0,0|0,0,0]=2 8534 B13R1.20 CCNC(C)Cc1cccc(c1)F 270004a_100015525214_100000687711 [0,2,0,0,0,0|0,0,0]=2 8535 B13R1.20 CCOC(C)Cc1cccc(n1)C 34a_200015421231_100000210202 [0,2,0,0,0,0|2,0,0]=4 8536 B13R1.20 CN(CCF)Cc1cccc(c1)Br 2230a_100000187585_100011217306 [0,2,0,0,0,0|2,0,0]=4 8537 B13R1.20 CN(CCF)Cc1cccc(c1)Br 269982a_100000187585_100011217306 [0,2,0,0,0,0|2,0,0]=4 8538 B13R1.20 CN(CCF)Cc1cccc(c1)Cl 2230a_100020629429_100011217306 [0,2,0,0,0,0|2,0,0]=4 8539 B13R1.20 CN(CCF)Cc1cccc(c1)Cl 269982a_100020629429_100011217306 [0,2,0,0,0,0|2,0,0]=4 8540 B13R1.20 CN(CCF)Cc1cccc(c1)F 2230a_100000184398_100011217306 [0,2,0,0,0,0|2,0,0]=4 8541 B13R1.20 CN(CCF)Cc1cccc(c1)F 269982a_100000184398_100011217306 [0,2,0,0,0,0|2,0,0]=4 8542 B13R1.20 CN(CCF)Cc1cccc(c1)F 34a_100000184398_100011217306 [0,2,0,0,0,0|2,0,0]=4 8543 B13R1.20 CN(CCF)Cc1cccc(c1)O 2230a_100000207540_100011217306 [0,2,0,0,0,0|2,0,0]=4 8544 B13R1.20 CN(CCF)Cc1cccc(c1)O 269982a_100000207540_100011217306 [0,2,0,0,0,0|2,0,0]=4 8545 B13R1.20 CN(CCO)Cc1cccc(c1)Br 2230a_100000187585_100000211926 [0,2,0,0,0,0|2,0,0]=4 8546 B13R1.20 CN(CCO)Cc1cccc(c1)Br 2230a_100000210263_100000698116 [0,2,0,0,0,0|2,0,0]=4 8547 B13R1.20 CN(CCO)Cc1cccc(c1)Br 269982a_100000187585_100000211926 [0,2,0,0,0,0|2,0,0]=4 8548 B13R1.20 CN(CCO)Cc1cccc(c1)Br 269982a_100000210263_100000211773 [0,2,0,0,0,0|2,0,0]=4 8549 B13R1.20 CN(CCO)Cc1cccc(c1)Br 26a_100000210263_100000210342 [0,2,0,0,0,0|2,0,0]=4 8550 B13R1.20 CN(CCO)Cc1cccc(c1)Br 270004a_100000210263_100000210085 [0,2,0,0,0,0|2,0,0]=4 8551 B13R1.20 CN(CCO)Cc1cccc(c1)Cl 2230a_100000210263_100000181238 [0,2,0,0,0,0|2,0,0]=4 8552 B13R1.20 CN(CCO)Cc1cccc(c1)Cl 2230a_100000719050_200000210301 [0,2,0,0,0,0|2,0,0]=4 8553 B13R1.20 CN(CCO)Cc1cccc(c1)Cl 2230a_100020629429_100000211926 [0,2,0,0,0,0|2,0,0]=4 8554 B13R1.20 CN(CCO)Cc1cccc(c1)Cl 269982a_100000210263_100000181238 [0,2,0,0,0,0|2,0,0]=4 8555 B13R1.20 CN(CCO)Cc1cccc(c1)Cl 269982a_100000719050_200000210301 [0,2,0,0,0,0|2,0,0]=4 8556 B13R1.20 CN(CCO)Cc1cccc(c1)Cl 269982a_100020629429_100000211926 [0,2,0,0,0,0|2,0,0]=4 8557 B13R1.20 CN(CCO)Cc1cccc(c1)Cl 270004a_100000210263_100000210801 [0,2,0,0,0,0|2,0,0]=4 8558 B13R1.20 CN(CCO)Cc1cccc(c1)Cl 34a_100000719050_200000210301 [0,2,0,0,0,0|2,0,0]=4 8559 B13R1.20 CN(CCO)Cc1cccc(c1)F 2230a_100000184398_100000211926 [0,2,0,0,0,0|2,0,0]=4 8560 B13R1.20 CN(CCO)Cc1cccc(c1)F 2230a_100000210263_100000230114 [0,2,0,0,0,0|2,0,0]=4 8561 B13R1.20 CN(CCO)Cc1cccc(c1)F 269982a_100000184398_100000211926 [0,2,0,0,0,0|2,0,0]=4 8562 B13R1.20 CN(CCO)Cc1cccc(c1)F 269982a_100000210263_100000230114 [0,2,0,0,0,0|2,0,0]=4 8563 B13R1.20 CN(CCO)Cc1cccc(c1)F 270004a_100000210263_100000210812 [0,2,0,0,0,0|2,0,0]=4 8564 B13R1.20 CN(CCO)Cc1cccc(c1)F 34a_100000184398_100000211926 [0,2,0,0,0,0|2,0,0]=4 8565 B13R1.20 CN(CCO)Cc1cccc(c1)I 2230a_100000210263_100011218688 [0,2,0,0,0,0|2,0,0]=4 8566 B13R1.20 CN(CCO)Cc1cccc(c1)I 269982a_100000210263_100011218688 [0,2,0,0,0,0|2,0,0]=4 8567 B13R1.20 CN(CCO)Cc1cccc(c1)I 270004a_100000210263_100000014684 [0,2,0,0,0,0|2,0,0]=4 8568 B13R1.20 CN(CCO)Cc1cccc(c1)O 2230a_100000207540_100000211926 [0,2,0,0,0,0|2,0,0]=4 8569 B13R1.20 CN(CCO)Cc1cccc(c1)O 2230a_100000210263_100011660834 [0,2,0,0,0,0|2,0,0]=4 8570 B13R1.20 CN(CCO)Cc1cccc(c1)O 269982a_100000207540_100000211926 [0,2,0,0,0,0|2,0,0]=4 8571 B13R1.20 CN(CCO)Cc1cccc(c1)O 269982a_100000210263_100000084143 [0,2,0,0,0,0|2,0,0]=4 8572 B13R1.20 CN(CCO)Cc1cccc(c1)O 270004a_100000210263_100000188321 [0,2,0,0,0,0|2,0,0]=4 8573 B13R1.20 CNNC(=O)Cc1cccc(c1)Br 22a_100016993582_100000747190 [0,2,0,0,0,0|1,0,1]=4 8574 B13R1.20 CNNC(=O)Cc1cccc(c1)C 22a_100016993582_100011206899 [0,2,0,0,0,0|1,0,1]=4 8575 B13R1.20 CNNC(=O)Cc1cccc(c1)Cl 22a_100016993582_100000749307 [0,2,0,0,0,0|1,0,1]=4 8576 B13R1.20 CNNC(=O)Cc1cccc(c1)F 22a_100016993582_100000211661 [0,2,0,0,0,0|1,0,1]=4 8577 B13R1.20 CNNC(=O)Cc1cccc(c1)I 22a_100016993582_100000238430 [0,2,0,0,0,0|1,0,1]=4 8578 B13R1.20 CNNC(=O)Cc1cccc(c1)O 22a_100016993582_100000745134 [0,2,0,0,0,0|1,0,1]=4 8579 B13R1.20 COCC(C)Nc1cccc(c1)Br 34a_100000210019_100000765312 [0,2,0,0,0,0|2,0,0]=4 8580 B13R1.20 COCC(C)Nc1cccc(c1)C 2230a_100000188690_100000765312 [0,2,0,0,0,0|2,0,0]=4 8581 B13R1.20 COCC(C)Nc1cccc(c1)C 34a_100000188690_100000765312 [0,2,0,0,0,0|2,0,0]=4 8582 B13R1.20 COCC(C)Nc1cccc(c1)Cl 34a_100000185859_100000765312 [0,2,0,0,0,0|2,0,0]=4 8583 B13R1.20 COCC(C)Nc1cccc(c1)F 34a_100000210047_100000765312 [0,2,0,0,0,0|2,0,0]=4 8584 B13R1.20 COCC(C)Nc1cccc(c1)I 34a_100000211102_100000765312 [0,2,0,0,0,0|2,0,0]=4 8585 B13R1.20 COCC(C)Nc1cccc(c1)O 34a_100000210217_100000765312 [0,2,0,0,0,0|2,0,0]=4 8586 B13R1.20 COCC(C)Oc1cccc(c1)Br 34a_100000210342_100000765312 [0,2,0,0,0,0|2,0,0]=4 8587 B13R1.20 COCC(C)Oc1cccc(c1)Br 7a_100000210342_100000765312 [0,2,0,0,0,0|2,0,0]=4 8588 B13R1.20 COCC(C)Oc1cccc(c1)C 34a_100000210337_100000765312 [0,2,0,0,0,0|2,0,0]=4 8589 B13R1.20 COCC(C)Oc1cccc(c1)C 7a_100000210337_100000765312 [0,2,0,0,0,0|2,0,0]=4 8590 B13R1.20 COCC(C)Oc1cccc(c1)Cl 34a_100000210295_100000765312 [0,2,0,0,0,0|2,0,0]=4 8591 B13R1.20 COCC(C)Oc1cccc(c1)Cl 7a_100000210295_100000765312 [0,2,0,0,0,0|2,0,0]=4 8592 B13R1.20 COCC(C)Oc1cccc(c1)F 34a_100000210426_100000765312 [0,2,0,0,0,0|2,0,0]=4 8593 B13R1.20 COCC(C)Oc1cccc(c1)F 7a_100000210426_100000765312 [0,2,0,0,0,0|2,0,0]=4 8594 B13R1.20 COCC(C)Oc1cccc(c1)I 34a_100000211634_100000765312 [0,2,0,0,0,0|2,0,0]=4 8595 B13R1.20 COCC(C)Oc1cccc(c1)I 7a_100000211634_100000765312 [0,2,0,0,0,0|2,0,0]=4 8596 B13R1.20 COCC(C)Oc1cccc(c1)N 34a_100000210217_100000765312 [0,2,0,0,0,0|2,0,0]=4 8597 B13R1.20 COCC(C)Sc1cccc(c1)Br 62a_100000691529_100000765312 [0,2,0,0,0,0|2,0,0]=4 8598 B13R1.20 COCC(C)Sc1cccc(c1)Br 62a_100000765312_100000691529 [0,2,0,0,0,0|2,0,0]=4 8599 B13R1.20 COCC(C)Sc1cccc(c1)C 62a_100000765312_100011215228 [0,2,0,0,0,0|2,0,0]=4 8600 B13R1.20 COCC(C)Sc1cccc(c1)C 62a_100011215228_100000765312 [0,2,0,0,0,0|2,0,0]=4 8601 B13R1.20 COCC(C)Sc1cccc(c1)Cl 62a_100000699651_100000765312 [0,2,0,0,0,0|2,0,0]=4 8602 B13R1.20 COCC(C)Sc1cccc(c1)Cl 62a_100000765312_100000699651 [0,2,0,0,0,0|2,0,0]=4 8603 B13R1.20 COCC(C)Sc1cccc(c1)F 62a_100000685547_100000765312 [0,2,0,0,0,0|2,0,0]=4 8604 B13R1.20 COCC(C)Sc1cccc(c1)F 62a_100000765312_100000685547 [0,2,0,0,0,0|2,0,0]=4 8605 B13R1.20 COCC(C)Sc1cccc(c1)N 62a_100000210019_100000765312 [0,2,0,0,0,0|2,0,0]=4 8606 B13R1.20 COCC(C)Sc1cccc(c1)N 62a_100000765312_100000210019 [0,2,0,0,0,0|2,0,0]=4 8607 B13R1.20 COCC(C)Sc1cccc(c1)O 62a_100000765312_100000211634 [0,2,0,0,0,0|2,0,0]=4 8608 B13R1.20 COCC(C)Sc1cccc(c1)[S] 62a_100000765312_114929384022 [0,2,0,0,0,0|2,0,0]=4 8609 B13R1.20 COCC(C)Sc1cccc(c1)[S] 62a_114929384022_100000765312 [0,2,0,0,0,0|2,0,0]=4 8610 B13R1.20 COCC(N)Cc1cccc(c1)Br 34a_114802770106_200000210301 [0,2,0,0,0,0|2,0,0]=4 8611 B13R1.20 COCC(N)Cc1cccc(c1)C 34a_100000716799_200000210301 [0,2,0,0,0,0|2,0,0]=4 8612 B13R1.20 COCC(N)Cc1cccc(c1)F 34a_200012000099_200000210301 [0,2,0,0,0,0|2,0,0]=4 8613 B13R1.20 COCN(C)Cc1cccc(c1)Br 2230a_100000187585_100000766300 [0,2,0,0,0,0|2,0,0]=4 8614 B13R1.20 COCN(C)Cc1cccc(c1)Br 269982a_100000187585_100000766300 [0,2,0,0,0,0|2,0,0]=4 8615 B13R1.20 COCN(C)Cc1cccc(c1)C 2230a_102495364743_100000766300 [0,2,0,0,0,0|2,0,0]=4 8616 B13R1.20 COCN(C)Cc1cccc(c1)C 269982a_102495364743_100000766300 [0,2,0,0,0,0|2,0,0]=4 8617 B13R1.20 COCN(C)Cc1cccc(c1)Cl 2230a_100020629429_100000766300 [0,2,0,0,0,0|2,0,0]=4 8618 B13R1.20 COCN(C)Cc1cccc(c1)Cl 269982a_100020629429_100000766300 [0,2,0,0,0,0|2,0,0]=4 8619 B13R1.20 COCN(C)Cc1cccc(c1)F 2230a_100000184398_100000766300 [0,2,0,0,0,0|2,0,0]=4 8620 B13R1.20 COCN(C)Cc1cccc(c1)F 269982a_100000184398_100000766300 [0,2,0,0,0,0|2,0,0]=4 8621 B13R1.20 COCN(C)Cc1cccc(c1)O 2230a_100000207540_100000766300 [0,2,0,0,0,0|2,0,0]=4 8622 B13R1.20 COCN(C)Cc1cccc(c1)O 269982a_100000207540_100000766300 [0,2,0,0,0,0|2,0,0]=4 8623 B13R1.20 CSCN(C)Cc1cccc(c1)Br 2230a_100000187585_100011218213 [0,2,0,0,0,0|2,0,0]=4 8624 B13R1.20 CSCN(C)Cc1cccc(c1)Br 269982a_100000187585_100011218213 [0,2,0,0,0,0|2,0,0]=4 8625 B13R1.20 CSCN(C)Cc1cccc(c1)C 2230a_102495364743_100011218213 [0,2,0,0,0,0|2,0,0]=4 8626 B13R1.20 CSCN(C)Cc1cccc(c1)C 269982a_102495364743_100011218213 [0,2,0,0,0,0|2,0,0]=4 8627 B13R1.20 CSCN(C)Cc1cccc(c1)C 34a_102495364743_100011218213 [0,2,0,0,0,0|2,0,0]=4 8628 B13R1.20 CSCN(C)Cc1cccc(c1)Cl 2230a_100020629429_100011218213 [0,2,0,0,0,0|2,0,0]=4 8629 B13R1.20 CSCN(C)Cc1cccc(c1)Cl 269982a_100020629429_100011218213 [0,2,0,0,0,0|2,0,0]=4 8630 B13R1.20 CSCN(C)Cc1cccc(c1)F 2230a_100000184398_100011218213 [0,2,0,0,0,0|2,0,0]=4 8631 B13R1.20 CSCN(C)Cc1cccc(c1)F 269982a_100000184398_100011218213 [0,2,0,0,0,0|2,0,0]=4 8632 B13R1.20 CSCN(C)Cc1cccc(c1)F 34a_100000184398_100011218213 [0,2,0,0,0,0|2,0,0]=4 8633 B13R1.20 CSCN(C)Cc1cccc(c1)O 2230a_100000207540_100011218213 [0,2,0,0,0,0|2,0,0]=4 8634 B13R1.20 CSCN(C)Cc1cccc(c1)O 269982a_100000207540_100011218213 [0,2,0,0,0,0|2,0,0]=4 8635 B13R1.20 Cc1cccc(c1)CC(N)CO[13CH3] 34a_100000716799_200025704644 [0,2,0,0,0,0|2,0,0]=4 8636 B13R1.20 Cc1cccc(c1)CN(C)CCF 2230a_102495364743_100011217306 [0,2,0,0,0,0|2,0,0]=4 8637 B13R1.20 Cc1cccc(c1)CN(C)CCF 269982a_102495364743_100011217306 [0,2,0,0,0,0|2,0,0]=4 8638 B13R1.20 Cc1cccc(c1)CN(C)CCF 34a_102495364743_100011217306 [0,2,0,0,0,0|2,0,0]=4 8639 B13R1.20 Cc1cccc(c1)CN(C)CCO 2230a_100000210263_100000211840 [0,2,0,0,0,0|2,0,0]=4 8640 B13R1.20 Cc1cccc(c1)CN(C)CCO 2230a_102495364743_100000211926 [0,2,0,0,0,0|2,0,0]=4 8641 B13R1.20 Cc1cccc(c1)CN(C)CCO 269982a_100000210263_100000211840 [0,2,0,0,0,0|2,0,0]=4 8642 B13R1.20 Cc1cccc(c1)CN(C)CCO 269982a_102495364743_100000211926 [0,2,0,0,0,0|2,0,0]=4 8643 B13R1.20 Cc1cccc(c1)CN(C)CCO 270004a_100000210263_100000211157 [0,2,0,0,0,0|2,0,0]=4 8644 B13R1.20 Cc1cccc(c1)CN(C)CCO 34a_102495364743_100000211926 [0,2,0,0,0,0|2,0,0]=4 8645 B13R1.20 Cc1cccc(c1)NC(C)CCO 2230a_100000188690_100009893172 [0,2,0,0,0,0|2,0,0]=4 8646 B13R1.20 Cc1cccc(c1)NC(C)CCO 34a_100000188690_100009893172 [0,2,0,0,0,0|2,0,0]=4 8647 B13R1.20 Cc1cccc(c1)OC(C)CCO 34a_100000210337_100009893172 [0,2,0,0,0,0|2,0,0]=4 8648 B13R1.20 Cc1cccc(c1)OC(C)CCO 7a_100000210337_100009893172 [0,2,0,0,0,0|2,0,0]=4 8649 B13R1.20 Cc1cccc(c1)SC(C)CCO 62a_100009893172_100011215228 [0,2,0,0,0,0|2,0,0]=4 8650 B13R1.20 Cc1cccc(c1)SC(C)CCO 62a_100011215228_100009893172 [0,2,0,0,0,0|2,0,0]=4 8651 B13R1.20 Cc1cccc(n1)CC(C)OCF 34a_200015421231_100015361967 [0,2,0,0,0,0|2,0,0]=4 8652 B13R1.20 [13CH3]N(CCO)Cc1cccc(c1)Cl 2230a_100000719050_200025704644 [0,2,0,0,0,0|2,0,0]=4 8653 B13R1.20 [13CH3]N(CCO)Cc1cccc(c1)Cl 269982a_100000719050_200025704644 [0,2,0,0,0,0|2,0,0]=4 8654 B13R1.20 [13CH3]N(CCO)Cc1cccc(c1)Cl 34a_100000719050_200025704644 [0,2,0,0,0,0|2,0,0]=4 8655 B13R1.20 [13CH3]OCC(N)Cc1cccc(c1)Br 34a_114802770106_200025704644 [0,2,0,0,0,0|2,0,0]=4 8656 B13R1.20 [13CH3]OCC(N)Cc1cccc(c1)F 34a_200012000099_200025704644 [0,2,0,0,0,0|2,0,0]=4 8657 B13R1.44 C#CCCN(C)Cc1ccccc1 2230a_100000186898_100000688953 [0,2,0,0,0,0|2,0,0]=4 8658 B13R1.44 C#CCCN(C)Cc1ccccc1 269982a_100000186898_100000730999 [0,2,0,0,0,0|2,0,0]=4 8659 B13R1.44 C#CCNC(C)Cc1ccccc1 34a_100000212058_200011218536 [0,2,0,0,0,0|0,0,0]=2 8660 B13R1.44 C#CCNC(C)Cc1ccccn1 2230a_100000238496_100000038162 [0,2,0,0,0,0|1,0,0]=3 8661 B13R1.44 C#CCNC(C)Cc1cccnc1 2230a_100011207255_100000038162 [0,2,0,0,0,0|1,0,0]=3 8662 B13R1.44 C#CCNC(C)Cc1cnccn1 2230a_100011277835_100000038162 [0,2,0,0,0,0|2,0,0]=4 8663 B13R1.44 C#CCOC(C)Cc1ccccc1 34a_100000210247_200011218536 [0,2,0,0,0,0|1,0,0]=3 8664 B13R1.44 C#CCOC(C)Cc1ccccc1 34a_100000748627_100000184674 [0,2,0,0,0,0|1,0,0]=3 8665 B13R1.44 C#CCOC(C)Cc1ccccc1 7a_100000748627_100000038162 [0,2,0,0,0,0|1,0,0]=3 8666 B13R1.44 C#CCSC(C)Cc1ccccc1 62a_100000038162_200011218536 [0,2,0,0,0,0|1,0,0]=3 8667 B13R1.44 C/C=C/CN(C)Cc1ccccc1 269982a_100000186898_100102629194 [0,2,0,0,0,0|2,0,0]=4 8668 B13R1.44 C=CCCN(C)Cc1ccccc1 2230a_100000186898_100000754431 [0,2,0,0,0,0|2,0,0]=4 8669 B13R1.44 C=CCCN(C)Cc1ccccc1 2230a_100011934112_200000210301 [0,2,0,0,0,0|2,0,0]=4 8670 B13R1.44 C=CCCN(C)Cc1ccccc1 2230a_100020639649_100015291786 [0,2,0,0,0,0|2,0,0]=4 8671 B13R1.44 C=CCCN(C)Cc1ccccc1 269982a_100000186898_100000754431 [0,2,0,0,0,0|2,0,0]=4 8672 B13R1.44 C=CCCN(C)Cc1ccccc1 269982a_100011934112_200000210301 [0,2,0,0,0,0|2,0,0]=4 8673 B13R1.44 C=CCCN(C)Cc1ccccc1 269982a_100020639649_100000211182 [0,2,0,0,0,0|2,0,0]=4 8674 B13R1.44 C=CCCN(C)Cc1ccccc1 270004a_100020639649_100015611070 [0,2,0,0,0,0|2,0,0]=4 8675 B13R1.44 C=CCCN([13CH3])Cc1ccccc1 2230a_100011934112_200025704644 [0,2,0,0,0,0|2,0,0]=4 8676 B13R1.44 C=CCCN([13CH3])Cc1ccccc1 269982a_100011934112_200025704644 [0,2,0,0,0,0|2,0,0]=4 8677 B13R1.44 C=CCNC(C)C[n+]1ccccc1 270004a_100020586998_100000034229 [0,2,0,0,0,0|1,0,0]=3 8678 B13R1.44 C=CCNC(C)Cc1ccccn1 2230a_100000238496_100000210623 [0,2,0,0,0,0|1,0,0]=3 8679 B13R1.44 C=CCNC(C)Cc1cccnc1 2230a_100011207255_100000210623 [0,2,0,0,0,0|1,0,0]=3 8680 B13R1.44 C=CCNC(C)Cc1cccnc1 270004a_100020586998_100015187140 [0,2,0,0,0,0|1,0,0]=3 8681 B13R1.44 C=CCNC(C)Cc1ccncc1 270004a_100020586998_100000238508 [0,2,0,0,0,0|1,0,0]=3 8682 B13R1.44 C=CCNC(C)Cc1cnccn1 2230a_100011277835_100000210623 [0,2,0,0,0,0|2,0,0]=4 8683 B13R1.44 C=CCNC(C)Cc1cnccn1 270004a_100020586998_100015184882 [0,2,0,0,0,0|2,0,0]=4 8684 B13R1.44 C=CCOC(C)Cc1ccccc1 34a_100000748627_100015514636 [0,2,0,0,0,0|1,0,0]=3 8685 B13R1.44 C=CCOC(C)Cc1ccccc1 34a_200000210373_200011218536 [0,2,0,0,0,0|1,0,0]=3 8686 B13R1.44 C=CCOC(C)Cc1ccccc1 7a_100000748627_100015514636 [0,2,0,0,0,0|1,0,0]=3 8687 B13R1.44 C=CCSC(C)Cc1ccccc1 62a_100000210623_200011218536 [0,2,0,0,0,0|1,0,0]=3 8688 B13R1.44 C=CCSC(C)Cc1ccccc1 62a_200011218536_100000210623 [0,2,0,0,0,0|1,0,0]=3 8689 B13R1.44 CC#CCN(C)Cc1ccccc1 2230a_100000186898_100000748600 [0,2,0,0,0,0|2,0,0]=4 8690 B13R1.44 CC(CNCF)Oc1ccccc1 34a_100000755676_100015361967 [0,2,0,0,0,0|1,0,0]=3 8691 B13R1.44 CC(COCF)Cc1ccccc1 34a_100012125295_100015361967 [0,2,0,0,0,0|1,0,0]=3 8692 B13R1.44 CC(COCF)Cc1ccccc1 7a_100012125295_100015361967 [0,2,0,0,0,0|1,0,0]=3 8693 B13R1.44 CC(COCF)Oc1ccccc1 34a_200000036796_100015361967 [0,2,0,0,0,0|2,0,0]=4 8694 B13R1.44 CC(COCF)Oc1ccccc1 7a_200000036796_100015361967 [0,2,0,0,0,0|2,0,0]=4 8695 B13R1.44 CC(C[n+]1ccccc1)NCCO 270004a_100000210304_100000034229 [0,2,0,0,0,0|1,0,0]=3 8696 B13R1.44 CC(Cc1ccccc1)NCCF 34a_100000724931_200011218536 [0,2,0,0,0,0|0,0,0]=2 8697 B13R1.44 CC(Cc1ccccc1)NCCO 34a_100016990907_200011218536 [0,2,0,0,0,0|0,0,0]=2 8698 B13R1.44 CC(Cc1ccccc1)OCC#N 7a_100000748627_100011215382 [0,2,0,0,0,0|1,0,0]=3 8699 B13R1.44 CC(Cc1ccccc1)OCC=O 34a_100000748627_200009817547 [0,2,0,0,0,0|1,0,0]=3 8700 B13R1.44 CC(Cc1ccccc1)OCC=O 7a_100000748627_200015260668 [0,2,0,0,0,0|1,0,0]=3 8701 B13R1.44 CC(Cc1ccccc1)OCCBr 34a_100000211926_200011218536 [0,2,0,0,0,0|1,0,0]=3 8702 B13R1.44 CC(Cc1ccccc1)OCCF 34a_100000748627_100011217306 [0,2,0,0,0,0|1,0,0]=3 8703 B13R1.44 CC(Cc1ccccc1)OCCF 7a_100000748627_100011217306 [0,2,0,0,0,0|1,0,0]=3 8704 B13R1.44 CC(Cc1ccccc1)OCCN 34a_100000210304_200011218536 [0,2,0,0,0,0|1,0,0]=3 8705 B13R1.44 CC(Cc1ccccc1)OCCO 34a_100000748627_100000211926 [0,2,0,0,0,0|1,0,0]=3 8706 B13R1.44 CC(Cc1ccccc1)OCCO 7a_100000748627_100000211926 [0,2,0,0,0,0|1,0,0]=3 8707 B13R1.44 CC(Cc1ccccc1)SCC#N 62a_100011215382_200011218536 [0,2,0,0,0,0|1,0,0]=3 8708 B13R1.44 CC(Cc1ccccc1)SCC#N 62a_200011218536_100011215382 [0,2,0,0,0,0|1,0,0]=3 8709 B13R1.44 CC(Cc1ccccc1)SCC=O 62a_200011218536_200015260668 [0,2,0,0,0,0|1,0,0]=3 8710 B13R1.44 CC(Cc1ccccc1)SCC=O 62a_200015260668_200011218536 [0,2,0,0,0,0|1,0,0]=3 8711 B13R1.44 CC(Cc1ccccc1)SCCF 62a_100011217306_200011218536 [0,2,0,0,0,0|1,0,0]=3 8712 B13R1.44 CC(Cc1ccccc1)SCCF 62a_200011218536_100011217306 [0,2,0,0,0,0|1,0,0]=3 8713 B13R1.44 CC(Cc1ccccc1)SCCO 62a_100000211926_200011218536 [0,2,0,0,0,0|1,0,0]=3 8714 B13R1.44 CC(Cc1ccccc1)SCCO 62a_200011218536_100000211926 [0,2,0,0,0,0|1,0,0]=3 8715 B13R1.44 CC(Cc1ccccn1)NCC#N 2230a_100000238496_100011215382 [0,2,0,0,0,0|1,0,0]=3 8716 B13R1.44 CC(Cc1ccccn1)NCC=O 2230a_100000238496_200015260668 [0,2,0,0,0,0|1,0,0]=3 8717 B13R1.44 CC(Cc1ccccn1)NCCF 2230a_100000238496_100011217306 [0,2,0,0,0,0|1,0,0]=3 8718 B13R1.44 CC(Cc1ccccn1)NCCO 2230a_100000238496_100000211926 [0,2,0,0,0,0|1,0,0]=3 8719 B13R1.44 CC(Cc1cccnc1)NCC#N 2230a_100011207255_100011215382 [0,2,0,0,0,0|1,0,0]=3 8720 B13R1.44 CC(Cc1cccnc1)NCC=O 2230a_100011207255_200015260668 [0,2,0,0,0,0|1,0,0]=3 8721 B13R1.44 CC(Cc1cccnc1)NCCF 2230a_100011207255_100011217306 [0,2,0,0,0,0|1,0,0]=3 8722 B13R1.44 CC(Cc1cccnc1)NCCO 2230a_100011207255_100000211926 [0,2,0,0,0,0|1,0,0]=3 8723 B13R1.44 CC(Cc1cccnc1)NCCO 270004a_100000210304_100015187140 [0,2,0,0,0,0|1,0,0]=3 8724 B13R1.44 CC(Cc1ccncc1)NCCO 270004a_100000210304_100000238508 [0,2,0,0,0,0|1,0,0]=3 8725 B13R1.44 CC(Cc1cnccn1)NCC#N 2230a_100011277835_100011215382 [0,2,0,0,0,0|2,0,0]=4 8726 B13R1.44 CC(Cc1cnccn1)NCC=O 2230a_100011277835_200015260668 [0,2,0,0,0,0|2,0,0]=4 8727 B13R1.44 CC(Cc1cnccn1)NCCF 2230a_100011277835_100011217306 [0,2,0,0,0,0|2,0,0]=4 8728 B13R1.44 CC(Cc1cnccn1)NCCO 2230a_100011277835_100000211926 [0,2,0,0,0,0|2,0,0]=4 8729 B13R1.44 CC(Cc1cnccn1)NCCO 270004a_100000210304_100015184882 [0,2,0,0,0,0|2,0,0]=4 8730 B13R1.44 CC=CCN(C)Cc1ccccc1 2230a_100000186898_100000070051 [0,2,0,0,0,0|2,0,0]=4 8731 B13R1.44 CC=NNC(=O)Cc1ccccc1 4a_100000182964_200000210099 [0,2,0,0,0,0|1,0,1]=4 8732 B13R1.44 CCCCC(C)Nc1ccccc1 34a_100000106764_200011215066 [0,2,0,0,0,0|2,0,0]=4 8733 B13R1.44 CCCCC(C)Oc1ccccc1 34a_100000210340_200011215066 [0,2,0,0,0,0|2,0,0]=4 8734 B13R1.44 CCCCC(C)Oc1ccccc1 7a_100000210340_200011215066 [0,2,0,0,0,0|2,0,0]=4 8735 B13R1.44 CCCCC(C)Sc1ccccc1 62a_100000719477_200011215066 [0,2,0,0,0,0|2,0,0]=4 8736 B13R1.44 CCCCC(C)Sc1ccccc1 62a_200011215066_100000041952 [0,2,0,0,0,0|2,0,0]=4 8737 B13R1.44 CCCCN(C)Cc1ccccc1 2230a_100000186898_100000210211 [0,2,0,0,0,0|2,0,0]=4 8738 B13R1.44 CCCCN(C)Cc1ccccc1 2230a_100000207549_100015291786 [0,2,0,0,0,0|2,0,0]=4 8739 B13R1.44 CCCCN(C)Cc1ccccc1 2230a_200000196024_200000210301 [0,2,0,0,0,0|2,0,0]=4 8740 B13R1.44 CCCCN(C)Cc1ccccc1 269982a_100000186898_100000210211 [0,2,0,0,0,0|2,0,0]=4 8741 B13R1.44 CCCCN(C)Cc1ccccc1 269982a_100000207549_100000211182 [0,2,0,0,0,0|2,0,0]=4 8742 B13R1.44 CCCCN(C)Cc1ccccc1 269982a_200000196024_200000210301 [0,2,0,0,0,0|2,0,0]=4 8743 B13R1.44 CCCCN(C)Cc1ccccc1 270004a_100000207549_100015611070 [0,2,0,0,0,0|2,0,0]=4 8744 B13R1.44 CCCCN([13CH3])Cc1ccccc1 2230a_200000196024_200025704644 [0,2,0,0,0,0|2,0,0]=4 8745 B13R1.44 CCCCN([13CH3])Cc1ccccc1 269982a_200000196024_200025704644 [0,2,0,0,0,0|2,0,0]=4 8746 B13R1.44 CCCNC(C)C[n+]1ccccc1 270004a_100020643023_100000034229 [0,2,0,0,0,0|1,0,0]=3 8747 B13R1.44 CCCNC(C)Cc1ccccn1 2230a_100000238496_100000210303 [0,2,0,0,0,0|1,0,0]=3 8748 B13R1.44 CCCNC(C)Cc1cccnc1 2230a_100011207255_100000210303 [0,2,0,0,0,0|1,0,0]=3 8749 B13R1.44 CCCNC(C)Cc1cccnc1 270004a_100020643023_100015187140 [0,2,0,0,0,0|1,0,0]=3 8750 B13R1.44 CCCNC(C)Cc1ccncc1 270004a_100020643023_100000238508 [0,2,0,0,0,0|1,0,0]=3 8751 B13R1.44 CCCNC(C)Cc1cnccn1 2230a_100011277835_100000210303 [0,2,0,0,0,0|2,0,0]=4 8752 B13R1.44 CCCNC(C)Cc1cnccn1 270004a_100020643023_100015184882 [0,2,0,0,0,0|2,0,0]=4 8753 B13R1.44 CCCOC(C)Cc1ccccc1 34a_100000210258_200011218536 [0,2,0,0,0,0|1,0,0]=3 8754 B13R1.44 CCCOC(C)Cc1ccccc1 34a_100000748627_100000210303 [0,2,0,0,0,0|1,0,0]=3 8755 B13R1.44 CCCOC(C)Cc1ccccc1 7a_100000748627_100000210303 [0,2,0,0,0,0|1,0,0]=3 8756 B13R1.44 CCCSC(C)Cc1ccccc1 62a_100000210303_200011218536 [0,2,0,0,0,0|1,0,0]=3 8757 B13R1.44 CCCSC(C)Cc1ccccc1 62a_200011218536_100000210303 [0,2,0,0,0,0|1,0,0]=3 8758 B13R1.44 CCNCC(=O)Cc1ccccc1 2230a_100015525214_100000233483 [0,2,0,0,0,0|1,0,1]=4 8759 B13R1.44 CCNCC(C)Oc1ccccc1 2230a_100000755676_100000210202 [0,2,0,0,0,0|1,0,0]=3 8760 B13R1.44 CCNCC(C)Oc1ccccc1 34a_100000755676_100000210202 [0,2,0,0,0,0|1,0,0]=3 8761 B13R1.44 CCNCC(C)Oc1cccnc1 2230a_200011219418_100000210202 [0,2,0,0,0,0|2,0,0]=4 8762 B13R1.44 CCNCC(O)Cc1ccccc1 2230a_100000752270_100000210202 [0,2,0,0,0,0|1,0,0]=3 8763 B13R1.44 CCNC[C@@H](O)Cc1ccccc1 2230a_100015525214_100000729385 [0,2,0,0,0,0|1,0,0]=3 8764 B13R1.44 CCNN=C(C)C[n+]1ccccc1 4a_100000756455_100000034229 [0,2,0,0,0,0|1,0,1]=4 8765 B13R1.44 CCOCC(C)Cc1ccccc1 34a_100012125295_100000210202 [0,2,0,0,0,0|1,0,0]=3 8766 B13R1.44 CCOCC(C)Cc1ccccc1 7a_100012125295_100000210202 [0,2,0,0,0,0|1,0,0]=3 8767 B13R1.44 CCOCC(C)Oc1ccccc1 34a_200000036796_100000210202 [0,2,0,0,0,0|2,0,0]=4 8768 B13R1.44 CCOCC(C)Oc1ccccc1 7a_200000036796_100000210202 [0,2,0,0,0,0|2,0,0]=4 8769 B13R1.44 CCOCC(N)Cc1ccccc1 34a_100000739027_100000210202 [0,2,0,0,0,0|2,0,0]=4 8770 B13R1.44 CCOCN(C)Cc1ccccc1 269982a_100000186898_100000739092 [0,2,0,0,0,0|2,0,0]=4 8771 B13R1.44 CCOC[C@@H](O)Cc1ccccc1 34a_100121572206_100000729385 [0,2,0,0,0,0|2,0,0]=4 8772 B13R1.44 CCSC[C@@H](O)Cc1ccccc1 62a_100000210202_100000729385 [0,2,0,0,0,0|2,0,0]=4 8773 B13R1.44 CCSC[C@@H](O)Cc1ccccc1 62a_100000729385_100000210202 [0,2,0,0,0,0|2,0,0]=4 8774 B13R1.44 CN(CCC#N)Cc1ccccc1 2230a_100000177507_200000210301 [0,2,0,0,0,0|2,0,0]=4 8775 B13R1.44 CN(CCC#N)Cc1ccccc1 2230a_100000184479_100015291786 [0,2,0,0,0,0|2,0,0]=4 8776 B13R1.44 CN(CCC#N)Cc1ccccc1 2230a_100000186898_100011215226 [0,2,0,0,0,0|2,0,0]=4 8777 B13R1.44 CN(CCC#N)Cc1ccccc1 269982a_100000186898_100011215226 [0,2,0,0,0,0|2,0,0]=4 8778 B13R1.44 CN(CCC#N)Cc1ccccc1 270004a_100000184479_100015611070 [0,2,0,0,0,0|2,0,0]=4 8779 B13R1.44 CN(CCCF)Cc1ccccc1 2230a_100000186898_100011934791 [0,2,0,0,0,0|2,0,0]=4 8780 B13R1.44 CN(CCCF)Cc1ccccc1 269982a_100000186898_100011934791 [0,2,0,0,0,0|2,0,0]=4 8781 B13R1.44 CN(CCCO)Cc1ccccc1 2230a_100000185501_200000210301 [0,2,0,0,0,0|2,0,0]=4 8782 B13R1.44 CN(CCCO)Cc1ccccc1 2230a_100000186898_100000230001 [0,2,0,0,0,0|2,0,0]=4 8783 B13R1.44 CN(CCCO)Cc1ccccc1 2230a_100000213112_100015291786 [0,2,0,0,0,0|2,0,0]=4 8784 B13R1.44 CN(CCCO)Cc1ccccc1 269982a_100000185501_200000210301 [0,2,0,0,0,0|2,0,0]=4 8785 B13R1.44 CN(CCCO)Cc1ccccc1 269982a_100000186898_100011215043 [0,2,0,0,0,0|2,0,0]=4 8786 B13R1.44 CN(CCCO)Cc1ccccc1 269982a_100000213112_100000211182 [0,2,0,0,0,0|2,0,0]=4 8787 B13R1.44 CN(CCCO)Cc1ccccc1 270004a_100000213112_100015611070 [0,2,0,0,0,0|2,0,0]=4 8788 B13R1.44 CN(CCS[13CH3])Cc1ccccc1 62a_200025704644_100015196923 [0,2,0,0,0,0|2,0,0]=4 8789 B13R1.44 CNCCN(C)Cc1ccccc1 2230a_106832991635_100015196923 [0,2,0,0,0,0|1,0,0]=3 8790 B13R1.44 CNCCN(C)Cc1ccccc1 34a_100102657272_100015196923 [0,2,0,0,0,0|1,0,0]=3 8791 B13R1.44 CNCCN(C)Cc1ccccc1 7a_106832991635_100015196923 [0,2,0,0,0,0|1,0,0]=3 8792 B13R1.44 COCCN(C)Cc1ccccc1 2230a_100000186898_100011201679 [0,2,0,0,0,0|2,0,0]=4 8793 B13R1.44 COCCN(C)Cc1ccccc1 2230a_100000743101_100015291786 [0,2,0,0,0,0|2,0,0]=4 8794 B13R1.44 COCCN(C)Cc1ccccc1 269982a_100000186898_100000233755 [0,2,0,0,0,0|2,0,0]=4 8795 B13R1.44 COCCN(C)Cc1ccccc1 269982a_100000743101_100000211182 [0,2,0,0,0,0|2,0,0]=4 8796 B13R1.44 COCCN(C)Cc1ccccc1 270004a_100000743101_100015611070 [0,2,0,0,0,0|2,0,0]=4 8797 B13R1.44 COCCN(C)Cc1ccccc1 34a_100138415774_100015196923 [0,2,0,0,0,0|2,0,0]=4 8798 B13R1.44 COCNC(C)Cc1ccccn1 2230a_100000238496_100000766300 [0,2,0,0,0,0|1,0,0]=3 8799 B13R1.44 COCNC(C)Cc1cccnc1 2230a_100011207255_100000766300 [0,2,0,0,0,0|1,0,0]=3 8800 B13R1.44 COCNC(C)Cc1cnccn1 2230a_100011277835_100000766300 [0,2,0,0,0,0|2,0,0]=4 8801 B13R1.44 COCSC(C)Cc1ccccc1 62a_100000766300_200011218536 [0,2,0,0,0,0|1,0,0]=3 8802 B13R1.44 COCSC(C)Cc1ccccc1 62a_200011218536_100000766300 [0,2,0,0,0,0|1,0,0]=3 8803 B13R1.44 CSCCN(C)Cc1ccccc1 2230a_100000186898_100000751147 [0,2,0,0,0,0|2,0,0]=4 8804 B13R1.44 CSCCN(C)Cc1ccccc1 2230a_100000686725_100015291786 [0,2,0,0,0,0|2,0,0]=4 8805 B13R1.44 CSCCN(C)Cc1ccccc1 269982a_100000186898_100000212216 [0,2,0,0,0,0|2,0,0]=4 8806 B13R1.44 CSCCN(C)Cc1ccccc1 269982a_100000686725_100000211182 [0,2,0,0,0,0|2,0,0]=4 8807 B13R1.44 CSCCN(C)Cc1ccccc1 270004a_100000686725_100015611070 [0,2,0,0,0,0|2,0,0]=4 8808 B13R1.44 CSCCN(C)Cc1ccccc1 62a_200000210301_100015196923 [0,2,0,0,0,0|2,0,0]=4 8809 B13R1.44 CSCNC(C)Cc1ccccn1 2230a_100000238496_100011218213 [0,2,0,0,0,0|1,0,0]=3 8810 B13R1.44 CSCNC(C)Cc1cccnc1 2230a_100011207255_100011218213 [0,2,0,0,0,0|1,0,0]=3 8811 B13R1.44 CSCNC(C)Cc1cnccn1 2230a_100011277835_100011218213 [0,2,0,0,0,0|2,0,0]=4 8812 B13R1.44 CSCOC(C)Cc1ccccc1 34a_100000748627_100011218213 [0,2,0,0,0,0|1,0,0]=3 8813 B13R1.44 CSCSC(C)Cc1ccccc1 62a_100011218213_200011218536 [0,2,0,0,0,0|1,0,0]=3 8814 B13R1.44 CSCSC(C)Cc1ccccc1 62a_200011218536_100011218213 [0,2,0,0,0,0|1,0,0]=3 8815 B13R1.44 NC(COCF)Cc1ccccc1 34a_100000739027_100015361967 [0,2,0,0,0,0|2,0,0]=4 8816 B13R1.44 O[C@H](CSCF)Cc1ccccc1 62a_100000729385_100015361967 [0,2,0,0,0,0|2,0,0]=4 8817 B13R1.44 O[C@H](CSCF)Cc1ccccc1 62a_100015361967_100000729385 [0,2,0,0,0,0|2,0,0]=4 8818 B13R1.44 [13CH3]N(CCC#N)Cc1ccccc1 2230a_100000177507_200025704644 [0,2,0,0,0,0|2,0,0]=4 8819 B13R1.44 [13CH3]N(CCCO)Cc1ccccc1 2230a_100000185501_200025704644 [0,2,0,0,0,0|2,0,0]=4 8820 B13R1.44 [13CH3]N(CCCO)Cc1ccccc1 269982a_100000185501_200025704644 [0,2,0,0,0,0|2,0,0]=4 8821 B13R1.47 CC(CCO)C(=O)c1ccccc1 1458a_100000185807_100009893172 [0,2,0,0,0,0|1,0,1]=4 8822 B13R1.47 CC(CCO)N(C)c1ccccc1 2230a_100000210012_100009893172 [0,2,0,0,0,0|2,0,0]=4 8823 B13R1.47 CC(CCO)N(C)c1ccccc1 269982a_100000210012_100009893172 [0,2,0,0,0,0|2,0,0]=4 8824 B13R1.47 CC(CCO)N(C)c1ccccc1 34a_100000210012_100009893172 [0,2,0,0,0,0|2,0,0]=4 8825 B13R1.47 CC(CN[13CH3])N(C)c1ccccc1 2230a_100000245588_200025704644 [0,2,0,0,0,0|1,0,0]=3 8826 B13R1.47 CC(SCF)C(=O)c1ccccc1 62a_100000239700_100015361967 [0,2,0,0,0,0|1,0,1]=4 8827 B13R1.47 CC(SCF)C(=O)c1ccccc1 62a_100015361967_100000239700 [0,2,0,0,0,0|1,0,1]=4 8828 B13R1.47 CC(c1ccccc1)N(C)CCF 2230a_100000195388_100011217306 [0,2,0,0,0,0|2,0,0]=4 8829 B13R1.47 CC(c1ccccc1)N(C)CCF 269982a_100000195388_100011217306 [0,2,0,0,0,0|2,0,0]=4 8830 B13R1.47 CC(c1ccccc1)N(C)CCO 2230a_100000195388_100000211926 [0,2,0,0,0,0|2,0,0]=4 8831 B13R1.47 CC(c1ccccc1)N(C)CCO 2230a_100000210263_100000230085 [0,2,0,0,0,0|2,0,0]=4 8832 B13R1.47 CC(c1ccccc1)N(C)CCO 269982a_100000195388_100000211926 [0,2,0,0,0,0|2,0,0]=4 8833 B13R1.47 CC(c1ccccc1)N(C)CCO 269982a_100000210263_100000230085 [0,2,0,0,0,0|2,0,0]=4 8834 B13R1.47 CCCC(C)C(=O)c1ccccc1 1458a_100000185807_100000766640 [0,2,0,0,0,0|1,0,1]=4 8835 B13R1.47 CCCC(C)N(C)c1ccccc1 2230a_100000210012_100000766640 [0,2,0,0,0,0|2,0,0]=4 8836 B13R1.47 CCCC(C)N(C)c1ccccc1 269982a_100000210012_100000766640 [0,2,0,0,0,0|2,0,0]=4 8837 B13R1.47 CCCC(C)N(C)c1ccccc1 34a_100000210012_100000766640 [0,2,0,0,0,0|2,0,0]=4 8838 B13R1.47 CCCN(C)C(C)c1ccccc1 2230a_100000195388_100000210303 [0,2,0,0,0,0|2,0,0]=4 8839 B13R1.47 CCCN(C)C(C)c1ccccc1 2230a_100000747261_100000230085 [0,2,0,0,0,0|2,0,0]=4 8840 B13R1.47 CCCN(C)C(C)c1ccccc1 2230a_100020603006_200000210301 [0,2,0,0,0,0|2,0,0]=4 8841 B13R1.47 CCCN(C)C(C)c1ccccc1 269982a_100000195388_100000210303 [0,2,0,0,0,0|2,0,0]=4 8842 B13R1.47 CCCN(C)C(C)c1ccccc1 269982a_100000747261_100000230085 [0,2,0,0,0,0|2,0,0]=4 8843 B13R1.47 CCCN(C)C(C)c1ccccc1 269982a_100020603006_200000210301 [0,2,0,0,0,0|2,0,0]=4 8844 B13R1.47 CCCN([13CH3])C(C)c1ccccc1 2230a_100020603006_200025704644 [0,2,0,0,0,0|2,0,0]=4 8845 B13R1.47 CCCN([13CH3])C(C)c1ccccc1 269982a_100020603006_200025704644 [0,2,0,0,0,0|2,0,0]=4 8846 B13R1.47 CCNC(=O)C(F)c1ccccc1 11a_100015525214_100000698975 [0,2,0,0,0,0|1,0,1]=4 8847 B13R1.47 CCNC(=O)C(F)c1ccccc1 240690a_100015525214_100000698975 [0,2,0,0,0,0|1,0,1]=4 8848 B13R1.47 CCNC(=O)C(F)c1ccccc1 527a_100015525214_100000698975 [0,2,0,0,0,0|1,0,1]=4 8849 B13R1.47 CCNC(=O)[C@@H](C)c1ccccc1 11a_100015525214_100000751047 [0,2,0,0,0,0|1,0,1]=4 8850 B13R1.47 CCNC(=O)[C@@H](C)c1ccccc1 240690a_100015525214_100000751047 [0,2,0,0,0,0|1,0,1]=4 8851 B13R1.47 CCNC(=O)[C@@H](C)c1ccccc1 527a_100015525214_100000751047 [0,2,0,0,0,0|1,0,1]=4 8852 B13R1.47 CCNC(=O)[C@H](O)c1ccccc1 240690a_100015525214_100000684486 [0,2,0,0,0,0|1,0,1]=4 8853 B13R1.47 CCNC(C)C(=O)c1ccccc1 2230a_100015525214_100000239700 [0,2,0,0,0,0|0,0,1]=3 8854 B13R1.47 CCO[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_100000210202 [0,2,0,0,0,0|1,0,0]=3 8855 B13R1.47 CCSC(C)C(=O)c1ccccc1 62a_100000210202_100000239700 [0,2,0,0,0,0|1,0,1]=4 8856 B13R1.47 CCSC(C)C(=O)c1ccccc1 62a_100000239700_100000210202 [0,2,0,0,0,0|1,0,1]=4 8857 B13R1.47 CNCC(C)N(C)c1ccccc1 2230a_100000245588_200000210301 [0,2,0,0,0,0|1,0,0]=3 8858 B13R1.47 CNNC(=O)C(F)c1ccccc1 22a_100016993582_100000698975 [0,2,0,0,0,0|1,0,1]=4 8859 B13R1.47 CNNC(=O)[C@@H](C)c1ccccc1 22a_100016993582_100000751047 [0,2,0,0,0,0|1,0,1]=4 8860 B13R1.47 CNNC(=O)[C@H](O)c1ccccc1 22a_100016993582_100000684486 [0,2,0,0,0,0|1,0,1]=4 8861 B13R1.47 COCC(C)C(=O)c1ccccc1 1458a_100000185807_100000765312 [0,2,0,0,0,0|1,0,1]=4 8862 B13R1.47 COCC(C)N(C)c1ccccc1 2230a_100000210012_100000765312 [0,2,0,0,0,0|2,0,0]=4 8863 B13R1.47 COCC(C)N(C)c1ccccc1 2230a_100011695367_200000210301 [0,2,0,0,0,0|2,0,0]=4 8864 B13R1.47 COCC(C)N(C)c1ccccc1 269982a_100000210012_100000765312 [0,2,0,0,0,0|2,0,0]=4 8865 B13R1.47 COCC(C)N(C)c1ccccc1 269982a_100011695367_200000210301 [0,2,0,0,0,0|2,0,0]=4 8866 B13R1.47 COCC(C)N(C)c1ccccc1 34a_100000210012_100000765312 [0,2,0,0,0,0|2,0,0]=4 8867 B13R1.47 COCC(C)N(C)c1ccccc1 34a_100011695367_200000210301 [0,2,0,0,0,0|2,0,0]=4 8868 B13R1.47 COCC(C)N([13CH3])c1ccccc1 2230a_100011695367_200025704644 [0,2,0,0,0,0|2,0,0]=4 8869 B13R1.47 COCC(C)N([13CH3])c1ccccc1 269982a_100011695367_200025704644 [0,2,0,0,0,0|2,0,0]=4 8870 B13R1.47 COCC(C)N([13CH3])c1ccccc1 34a_100011695367_200025704644 [0,2,0,0,0,0|2,0,0]=4 8871 B13R1.47 COCN(C)C(C)c1ccccc1 2230a_100000195388_100000766300 [0,2,0,0,0,0|2,0,0]=4 8872 B13R1.47 COCN(C)C(C)c1ccccc1 269982a_100000195388_100000766300 [0,2,0,0,0,0|2,0,0]=4 8873 B13R1.47 CSCN(C)C(C)c1ccccc1 2230a_100000195388_100011218213 [0,2,0,0,0,0|2,0,0]=4 8874 B13R1.47 CSCN(C)C(C)c1ccccc1 269982a_100000195388_100011218213 [0,2,0,0,0,0|2,0,0]=4 8875 B13R1.47 C[C@H](OCF)[C@@H](N)c1ccccc1 34a_100134616770_100015361967 [0,2,0,0,0,0|1,0,0]=3 8876 B13R1.47 C[C@H](c1ccccc1)N(C)CCO 2230a_100000753783_200000210301 [0,2,0,0,0,0|2,0,0]=4 8877 B13R1.47 C[C@H](c1ccccc1)N(C)CCO 269982a_100000753783_200000210301 [0,2,0,0,0,0|2,0,0]=4 8878 B13R1.47 C[C@H](c1ccccc1)N([13CH3])CCO 2230a_100000753783_200025704644 [0,2,0,0,0,0|2,0,0]=4 8879 B13R1.47 C[C@H](c1ccccc1)N([13CH3])CCO 269982a_100000753783_200025704644 [0,2,0,0,0,0|2,0,0]=4 8880 B13R1.79 C#CC(Cc1ccccc1)OCC 34a_100000685211_100000210202 [0,2,0,0,0,0|1,0,1]=4 8881 B13R1.79 C#CC(Cc1ccccc1)OCC 7a_100000685211_100000210202 [0,2,0,0,0,0|1,0,1]=4 8882 B13R1.79 C#CC(Cc1ccccc1)OCF 34a_100000685211_100015361967 [0,2,0,0,0,0|1,0,1]=4 8883 B13R1.79 C#CC(Cc1ccccc1)OCF 7a_100000685211_100015361967 [0,2,0,0,0,0|1,0,1]=4 8884 B13R1.79 C#CCN(CC)Cc1ccccc1 2230a_100000186914_100000038162 [0,2,0,0,0,0|2,0,0]=4 8885 B13R1.79 C#CCN(CC)Cc1ccccc1 2230a_100000730907_100000210202 [0,2,0,0,0,0|2,0,0]=4 8886 B13R1.79 C#CCN(CC)Cc1ccccc1 2230a_100000744766_100015291786 [0,2,0,0,0,0|2,0,0]=4 8887 B13R1.79 C#CCN(CC)Cc1ccccc1 269982a_100000730907_100000204670 [0,2,0,0,0,0|2,0,0]=4 8888 B13R1.79 C#CCN(CC)Cc1ccccc1 269982a_100000744766_100000211182 [0,2,0,0,0,0|2,0,0]=4 8889 B13R1.79 C#CCN(CC)Cc1ccccc1 270004a_100000744766_100015611070 [0,2,0,0,0,0|2,0,0]=4 8890 B13R1.79 C#CCN(CC)Cc1ccccc1 34a_100000730907_100000210202 [0,2,0,0,0,0|2,0,0]=4 8891 B13R1.79 C=CCN(CC)Cc1ccccc1 2230a_100000186914_100000210623 [0,2,0,0,0,0|2,0,0]=4 8892 B13R1.79 C=CCN(CC)Cc1ccccc1 2230a_100000196212_100000210202 [0,2,0,0,0,0|2,0,0]=4 8893 B13R1.79 C=CCN(CC)Cc1ccccc1 269982a_100000186914_100000210623 [0,2,0,0,0,0|2,0,0]=4 8894 B13R1.79 C=CCN(CC)Cc1ccccc1 269982a_100000196212_100000204670 [0,2,0,0,0,0|2,0,0]=4 8895 B13R1.79 CCC(Cc1ccccc1)OCF 7a_100000760156_100015361967 [0,2,0,0,0,0|1,0,0]=3 8896 B13R1.79 CCCC(CC)Oc1ccccc1 7a_100000210340_100011219200 [0,2,0,0,0,0|2,0,0]=4 8897 B13R1.79 CCCC(CC)Sc1ccccc1 62a_100000719477_100011219200 [0,2,0,0,0,0|2,0,0]=4 8898 B13R1.79 CCCC(CC)Sc1ccccc1 62a_100011219200_100000041952 [0,2,0,0,0,0|2,0,0]=4 8899 B13R1.79 CCCN(CC)Cc1ccccc1 2230a_100000184400_100000210202 [0,2,0,0,0,0|2,0,0]=4 8900 B13R1.79 CCCN(CC)Cc1ccccc1 2230a_100000186914_100000210303 [0,2,0,0,0,0|2,0,0]=4 8901 B13R1.79 CCCN(CC)Cc1ccccc1 2230a_100000226822_100015291786 [0,2,0,0,0,0|2,0,0]=4 8902 B13R1.79 CCCN(CC)Cc1ccccc1 269982a_100000184400_100000204670 [0,2,0,0,0,0|2,0,0]=4 8903 B13R1.79 CCCN(CC)Cc1ccccc1 269982a_100000186914_100000210303 [0,2,0,0,0,0|2,0,0]=4 8904 B13R1.79 CCCN(CC)Cc1ccccc1 269982a_100000226822_100000211182 [0,2,0,0,0,0|2,0,0]=4 8905 B13R1.79 CCCN(CC)Cc1ccccc1 270004a_100000226822_100015611070 [0,2,0,0,0,0|2,0,0]=4 8906 B13R1.79 CCCN(CF)Cc1ccccc1 269982a_100000184400_100015361967 [0,2,0,0,0,0|2,0,0]=4 8907 B13R1.79 CCN(CC#N)Cc1ccccc1 2230a_100000186914_100011215382 [0,2,0,0,0,0|2,0,0]=4 8908 B13R1.79 CCN(CC#N)Cc1ccccc1 2230a_100000743013_100000210202 [0,2,0,0,0,0|2,0,0]=4 8909 B13R1.79 CCN(CC#N)Cc1ccccc1 269982a_100000186914_100011214920 [0,2,0,0,0,0|2,0,0]=4 8910 B13R1.79 CCN(CC=O)Cc1ccccc1 2230a_100000186914_200015260668 [0,2,0,0,0,0|2,0,0]=4 8911 B13R1.79 CCN(CC=O)Cc1ccccc1 269982a_100000186914_200015260668 [0,2,0,0,0,0|2,0,0]=4 8912 B13R1.79 CCN(CCF)Cc1ccccc1 2230a_100000186914_100011217306 [0,2,0,0,0,0|2,0,0]=4 8913 B13R1.79 CCN(CCF)Cc1ccccc1 269982a_100000186914_100011217306 [0,2,0,0,0,0|2,0,0]=4 8914 B13R1.79 CCN(CCO)Cc1ccccc1 2230a_100000180844_100000210202 [0,2,0,0,0,0|2,0,0]=4 8915 B13R1.79 CCN(CCO)Cc1ccccc1 2230a_100000186914_100000211926 [0,2,0,0,0,0|2,0,0]=4 8916 B13R1.79 CCN(CCO)Cc1ccccc1 2230a_100000210973_100015291786 [0,2,0,0,0,0|2,0,0]=4 8917 B13R1.79 CCN(CCO)Cc1ccccc1 269982a_100000180844_100000204670 [0,2,0,0,0,0|2,0,0]=4 8918 B13R1.79 CCN(CCO)Cc1ccccc1 269982a_100000186914_100000211926 [0,2,0,0,0,0|2,0,0]=4 8919 B13R1.79 CCN(CCO)Cc1ccccc1 269982a_100000210973_100000211182 [0,2,0,0,0,0|2,0,0]=4 8920 B13R1.79 CCN(CCO)Cc1ccccc1 270004a_100000210973_100015611070 [0,2,0,0,0,0|2,0,0]=4 8921 B13R1.79 CCN(COC)Cc1ccccc1 2230a_100000186914_100000766300 [0,2,0,0,0,0|2,0,0]=4 8922 B13R1.79 CCN(COC)Cc1ccccc1 269982a_100000186914_100000766300 [0,2,0,0,0,0|2,0,0]=4 8923 B13R1.79 CCN(CSC)Cc1ccccc1 2230a_100000186914_100011218213 [0,2,0,0,0,0|2,0,0]=4 8924 B13R1.79 CCN(CSC)Cc1ccccc1 269982a_100000186914_100011218213 [0,2,0,0,0,0|2,0,0]=4 8925 B13R1.79 CCNC(C#N)Cc1ccccc1 2230a_100000746547_100000210202 [0,2,0,0,0,0|0,0,1]=3 8926 B13R1.79 CCNC(CC)Cc1ccccc1 270004a_100015525214_100000212045 [0,2,0,0,0,0|0,0,0]=2 8927 B13R1.79 CCNC(CO)Cc1ccccc1 2230a_100000739027_100000210202 [0,2,0,0,0,0|0,0,0]=2 8928 B13R1.79 CCNC(CO)Cc1cccnc1 2230a_100000717814_100000210202 [0,2,0,0,0,0|1,0,0]=3 8929 B13R1.79 CCNC(CO)Cc1ccncc1 2230a_100000717866_100000210202 [0,2,0,0,0,0|1,0,0]=3 8930 B13R1.79 CCOC(CC)Cc1ccccc1 7a_100000760156_100000210202 [0,2,0,0,0,0|1,0,0]=3 8931 B13R1.79 CCOC(CN)Cc1ccccc1 34a_100000752270_100000210202 [0,2,0,0,0,0|1,0,0]=3 8932 B13R1.79 CCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100000210202 [0,2,0,0,0,0|1,0,0]=3 8933 B13R1.79 CCSC(C#N)Cc1ccccc1 62a_100000183401_100000210202 [0,2,0,0,0,0|1,0,1]=4 8934 B13R1.79 CCSC(C#N)Cc1ccccc1 62a_100000210202_100000183401 [0,2,0,0,0,0|1,0,1]=4 8935 B13R1.79 CNC(COC)Cc1ccccc1 2230a_100000766165_200000210301 [0,2,0,0,0,0|0,0,0]=2 8936 B13R1.79 CNCC(CO)Cc1ccccc1 34a_100160572655_200000210301 [0,2,0,0,0,0|0,0,0]=2 8937 B13R1.79 CN[C@H](COC)Cc1ccccc1 34a_100016995599_200000210301 [0,2,0,0,0,0|0,0,0]=2 8938 B13R1.79 CN[C@H](CO[13CH3])Cc1ccccc1 34a_100016995599_200025704644 [0,2,0,0,0,0|0,0,0]=2 8939 B13R1.79 COCC(C#N)Cc1ccccc1 34a_100000684917_200000210301 [0,2,0,0,0,0|1,0,1]=4 8940 B13R1.79 COCC(C#N)Cc1ccccc1 7a_100000684917_200000210301 [0,2,0,0,0,0|1,0,1]=4 8941 B13R1.79 COCC(CN)Cc1ccccc1 34a_100160572655_200000210301 [0,2,0,0,0,0|1,0,0]=3 8942 B13R1.79 COCC(Cc1ccccc1)N[13CH3] 2230a_100000766165_200025704644 [0,2,0,0,0,0|0,0,0]=2 8943 B13R1.79 FCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100015361967 [0,2,0,0,0,0|1,0,0]=3 8944 B13R1.79 N#CC(Cc1ccccc1)SCF 62a_100000183401_100015361967 [0,2,0,0,0,0|1,0,1]=4 8945 B13R1.79 N#CC(Cc1ccccc1)SCF 62a_100015361967_100000183401 [0,2,0,0,0,0|1,0,1]=4 8946 B13R1.79 NCC(Cc1ccccc1)OCF 34a_100000752270_100015361967 [0,2,0,0,0,0|1,0,0]=3 8947 B13R1.79 OCCN(CF)Cc1ccccc1 269982a_100000180844_100015361967 [0,2,0,0,0,0|2,0,0]=4 8948 B13R1.79 [13CH3]NCC(CO)Cc1ccccc1 34a_100160572655_200025704644 [0,2,0,0,0,0|0,0,0]=2 8949 B13R1.79 [13CH3]OCC(C#N)Cc1ccccc1 34a_100000684917_200025704644 [0,2,0,0,0,0|1,0,1]=4 8950 B13R1.79 [13CH3]OCC(C#N)Cc1ccccc1 7a_100000684917_200025704644 [0,2,0,0,0,0|1,0,1]=4 8951 B13R1.79 [13CH3]OCC(CN)Cc1ccccc1 34a_100160572655_200025704644 [0,2,0,0,0,0|1,0,0]=3 8952 B13R1.348 C=C(C)CN(C)Cc1ccccc1 2230a_100000186898_100000748629 [0,2,0,0,0,0|2,0,0]=4 8953 B13R1.348 C=C(C)CN(C)Cc1ccccc1 2230a_100000225649_100015291786 [0,2,0,0,0,0|2,0,0]=4 8954 B13R1.348 C=C(C)CN(C)Cc1ccccc1 2230a_100015184565_200000210301 [0,2,0,0,0,0|2,0,0]=4 8955 B13R1.348 C=C(C)CN(C)Cc1ccccc1 269982a_100000186898_100000748629 [0,2,0,0,0,0|2,0,0]=4 8956 B13R1.348 C=C(C)CN(C)Cc1ccccc1 269982a_100000225649_100000211182 [0,2,0,0,0,0|2,0,0]=4 8957 B13R1.348 C=C(C)CN(C)Cc1ccccc1 269982a_100015184565_200000210301 [0,2,0,0,0,0|2,0,0]=4 8958 B13R1.348 C=C(C)CN(C)Cc1ccccc1 270004a_100000225649_100015611070 [0,2,0,0,0,0|2,0,0]=4 8959 B13R1.348 C=C(C)CN([13CH3])Cc1ccccc1 2230a_100015184565_200025704644 [0,2,0,0,0,0|2,0,0]=4 8960 B13R1.348 C=C(C)CN([13CH3])Cc1ccccc1 269982a_100015184565_200025704644 [0,2,0,0,0,0|2,0,0]=4 8961 B13R1.348 CC(=O)CN(C)Cc1ccccc1 1458a_100000745601_200000210301 [0,2,0,0,0,0|2,0,0]=4 8962 B13R1.348 CC(=O)NC(C)Cc1ccccn1 11a_100000238496_100015343762 [0,2,0,0,0,0|1,0,0]=3 8963 B13R1.348 CC(=O)NC(C)Cc1ccccn1 1626a_100000238496_100015343762 [0,2,0,0,0,0|1,0,0]=3 8964 B13R1.348 CC(=O)NC(C)Cc1ccccn1 240690a_100000238496_100015343762 [0,2,0,0,0,0|1,0,0]=3 8965 B13R1.348 CC(=O)NC(C)Cc1ccccn1 527a_100000238496_100103153847 [0,2,0,0,0,0|1,0,0]=3 8966 B13R1.348 CC(=O)NC(C)Cc1cccnc1 11a_100011207255_100015343762 [0,2,0,0,0,0|1,0,0]=3 8967 B13R1.348 CC(=O)NC(C)Cc1cccnc1 1626a_100011207255_100015343762 [0,2,0,0,0,0|1,0,0]=3 8968 B13R1.348 CC(=O)NC(C)Cc1cccnc1 240690a_100011207255_100015343762 [0,2,0,0,0,0|1,0,0]=3 8969 B13R1.348 CC(=O)NC(C)Cc1cccnc1 527a_100011207255_100103153847 [0,2,0,0,0,0|1,0,0]=3 8970 B13R1.348 CC(=O)NC(C)Cc1cnccn1 11a_100011277835_100015343762 [0,2,0,0,0,0|2,0,0]=4 8971 B13R1.348 CC(=O)NC(C)Cc1cnccn1 1626a_100011277835_100015343762 [0,2,0,0,0,0|2,0,0]=4 8972 B13R1.348 CC(=O)NC(C)Cc1cnccn1 240690a_100011277835_100015343762 [0,2,0,0,0,0|2,0,0]=4 8973 B13R1.348 CC(=O)NC(C)Cc1cnccn1 527a_100011277835_100103153847 [0,2,0,0,0,0|2,0,0]=4 8974 B13R1.348 CC(=O)OC(C)Sc1ccccc1 62a_100000719477_100009818208 [0,2,0,0,0,0|2,0,0]=4 8975 B13R1.348 CC(=O)OC(C)Sc1ccccc1 62a_100009818208_100000041952 [0,2,0,0,0,0|2,0,0]=4 8976 B13R1.348 CC(C)CC(C)Nc1ccccc1 34a_100000106764_100000731052 [0,2,0,0,0,0|2,0,0]=4 8977 B13R1.348 CC(C)CC(C)Oc1ccccc1 34a_100000210340_100000731052 [0,2,0,0,0,0|2,0,0]=4 8978 B13R1.348 CC(C)CC(C)Oc1ccccc1 7a_100000210340_100000731052 [0,2,0,0,0,0|2,0,0]=4 8979 B13R1.348 CC(C)CC(C)Sc1ccccc1 62a_100000719477_100000731052 [0,2,0,0,0,0|2,0,0]=4 8980 B13R1.348 CC(C)CC(C)Sc1ccccc1 62a_100000731052_100000041952 [0,2,0,0,0,0|2,0,0]=4 8981 B13R1.348 CC(C)CN(C)Cc1ccccc1 2230a_100000186898_100000210760 [0,2,0,0,0,0|2,0,0]=4 8982 B13R1.348 CC(C)CN(C)Cc1ccccc1 2230a_100000189081_200000210301 [0,2,0,0,0,0|2,0,0]=4 8983 B13R1.348 CC(C)CN(C)Cc1ccccc1 2230a_100000747067_100015291786 [0,2,0,0,0,0|2,0,0]=4 8984 B13R1.348 CC(C)CN(C)Cc1ccccc1 269982a_100000186898_100000210624 [0,2,0,0,0,0|2,0,0]=4 8985 B13R1.348 CC(C)CN(C)Cc1ccccc1 269982a_100000189081_200000210301 [0,2,0,0,0,0|2,0,0]=4 8986 B13R1.348 CC(C)CN(C)Cc1ccccc1 269982a_100000747067_100000211182 [0,2,0,0,0,0|2,0,0]=4 8987 B13R1.348 CC(C)CN(C)Cc1ccccc1 270004a_100000186898_100000210432 [0,2,0,0,0,0|2,0,0]=4 8988 B13R1.348 CC(C)CN(C)Cc1ccccc1 270004a_100000747067_100015611070 [0,2,0,0,0,0|2,0,0]=4 8989 B13R1.348 CC(C)CN(C)Cc1ccccc1 34a_100000189081_200000210301 [0,2,0,0,0,0|2,0,0]=4 8990 B13R1.348 CC(C)CN([13CH3])Cc1ccccc1 2230a_100000189081_200025704644 [0,2,0,0,0,0|2,0,0]=4 8991 B13R1.348 CC(C)CN([13CH3])Cc1ccccc1 269982a_100000189081_200025704644 [0,2,0,0,0,0|2,0,0]=4 8992 B13R1.348 CC(C)CN([13CH3])Cc1ccccc1 34a_100000189081_200025704644 [0,2,0,0,0,0|2,0,0]=4 8993 B13R1.348 CC(C)NC(C)Cc1ccccc1 34a_100138425928_200011218536 [0,2,0,0,0,0|0,0,0]=2 8994 B13R1.348 CC(C)NC(C)Cc1ccccn1 2230a_100000238496_100000210206 [0,2,0,0,0,0|1,0,0]=3 8995 B13R1.348 CC(C)NC(C)Cc1cccnc1 2230a_100011207255_100000210206 [0,2,0,0,0,0|1,0,0]=3 8996 B13R1.348 CC(C)NC(C)Cc1cnccn1 2230a_100011277835_100000210206 [0,2,0,0,0,0|2,0,0]=4 8997 B13R1.348 CC(C)OC(C)Cc1ccccc1 34a_100000212225_200011218536 [0,2,0,0,0,0|1,0,0]=3 8998 B13R1.348 CC(C)OC(C)Cc1ccccc1 34a_100000748627_100000210206 [0,2,0,0,0,0|1,0,0]=3 8999 B13R1.348 CC(C)OC(C)Cc1ccccc1 7a_100000748627_100000210206 [0,2,0,0,0,0|1,0,0]=3 9000 B13R1.348 CC(C)SC(C)Cc1ccccc1 62a_100000210206_200011218536 [0,2,0,0,0,0|1,0,0]=3 9001 B13R1.348 CC(C)SC(C)Cc1ccccc1 62a_200011218536_100000210206 [0,2,0,0,0,0|1,0,0]=3 9002 B13R1.348 CC(CN(C)C)Sc1ccccc1 62a_100000719477_100020606517 [0,2,0,0,0,0|1,0,0]=3 9003 B13R1.348 CC(CN(C)C)Sc1ccccc1 62a_100020606517_100000041952 [0,2,0,0,0,0|1,0,0]=3 9004 B13R1.348 CC(CN(C)C)Sc1ccccn1 62a_100011216584_100020606517 [0,2,0,0,0,0|2,0,0]=4 9005 B13R1.348 CC(CN(C)C)Sc1ccccn1 62a_100020606517_100011216584 [0,2,0,0,0,0|2,0,0]=4 9006 B13R1.348 CC(CN(C)C)Sc1cccnc1 62a_100000210063_100020606517 [0,2,0,0,0,0|2,0,0]=4 9007 B13R1.348 CC(CN(C)C)Sc1cccnc1 62a_100020606517_100000210063 [0,2,0,0,0,0|2,0,0]=4 9008 B13R1.348 CC(CN(C)C)Sc1ccncc1 62a_100000728582_100020606517 [0,2,0,0,0,0|2,0,0]=4 9009 B13R1.348 CC(CN(C)C)Sc1ccncc1 62a_100020606517_100000728582 [0,2,0,0,0,0|2,0,0]=4 9010 B13R1.348 CC(O)CN(C)Cc1ccccc1 2230a_100000186898_100011218427 [0,2,0,0,0,0|2,0,0]=4 9011 B13R1.348 CC(O)CN(C)Cc1ccccc1 2230a_100000189065_200000210301 [0,2,0,0,0,0|2,0,0]=4 9012 B13R1.348 CC(O)CN(C)Cc1ccccc1 2230a_100000227577_100015291786 [0,2,0,0,0,0|2,0,0]=4 9013 B13R1.348 CC(O)CN(C)Cc1ccccc1 269982a_100000186898_100011218427 [0,2,0,0,0,0|2,0,0]=4 9014 B13R1.348 CC(O)CN(C)Cc1ccccc1 269982a_100000189065_200000210301 [0,2,0,0,0,0|2,0,0]=4 9015 B13R1.348 CC(O)CN(C)Cc1ccccc1 269982a_100000227577_100000211182 [0,2,0,0,0,0|2,0,0]=4 9016 B13R1.348 CC(O)CN(C)Cc1ccccc1 270004a_100000227577_100015611070 [0,2,0,0,0,0|2,0,0]=4 9017 B13R1.348 CC(O)CN([13CH3])Cc1ccccc1 2230a_100000189065_200025704644 [0,2,0,0,0,0|2,0,0]=4 9018 B13R1.348 CC(O)CN([13CH3])Cc1ccccc1 269982a_100000189065_200025704644 [0,2,0,0,0,0|2,0,0]=4 9019 B13R1.348 CN(C)CC(=O)Cc1ccccc1 1458a_100000750896_100015291786 [0,2,0,0,0,0|1,0,1]=4 9020 B13R1.348 CN(C)CC(=O)Cc1ccccc1 2230a_100102631434_100000233483 [0,2,0,0,0,0|1,0,1]=4 9021 B13R1.348 CN(C)CC(=O)Cc1ccccc1 269982a_100102631434_100000233483 [0,2,0,0,0,0|1,0,1]=4 9022 B13R1.348 CN(C)C[C@@H](O)Cc1ccccc1 2230a_100102631434_100000729385 [0,2,0,0,0,0|1,0,0]=3 9023 B13R1.348 CN(C)C[C@@H](O)Cc1ccccc1 269982a_100102631434_100000729385 [0,2,0,0,0,0|1,0,0]=3 9024 B13R1.348 CN(CC(=O)[13CH3])Cc1ccccc1 1458a_100000745601_200025704644 [0,2,0,0,0,0|2,0,0]=4 9025 B13R1.348 CN(Cc1ccccc1)CC(F)F 2230a_100000186898_100011934356 [0,2,0,0,0,0|2,0,0]=4 9026 B13R1.348 CN(Cc1ccccc1)CC(F)F 269982a_100000186898_100011934356 [0,2,0,0,0,0|2,0,0]=4 9027 B13R1.348 C[C@@H](O)CN(C)Cc1ccccc1 2230a_100000186898_100009817552 [0,2,0,0,0,0|2,0,0]=4 9028 B13R1.348 C[C@@H](O)CN(C)Cc1ccccc1 269982a_100000186898_100009817552 [0,2,0,0,0,0|2,0,0]=4 9029 B13R1.470 CC(CCO)Nc1ccccc1Br 34a_100000210017_100009893172 [0,2,0,0,0,0|2,0,0]=4 9030 B13R1.470 CC(CCO)Nc1ccccc1Cl 34a_100000185783_100009893172 [0,2,0,0,0,0|2,0,0]=4 9031 B13R1.470 CC(CCO)Nc1ccccc1F 34a_100000210422_100009893172 [0,2,0,0,0,0|2,0,0]=4 9032 B13R1.470 CC(CCO)Nc1ccccc1I 34a_100000210053_100009893172 [0,2,0,0,0,0|2,0,0]=4 9033 B13R1.470 CC(CCO)Nc1ccccc1O 34a_100000185747_100009893172 [0,2,0,0,0,0|2,0,0]=4 9034 B13R1.470 CC(CCO)Oc1ccccc1Br 34a_100000181306_100009893172 [0,2,0,0,0,0|2,0,0]=4 9035 B13R1.470 CC(CCO)Oc1ccccc1Br 7a_100000181306_100009893172 [0,2,0,0,0,0|2,0,0]=4 9036 B13R1.470 CC(CCO)Oc1ccccc1Cl 34a_100000210172_100009893172 [0,2,0,0,0,0|2,0,0]=4 9037 B13R1.470 CC(CCO)Oc1ccccc1Cl 7a_100000210172_100009893172 [0,2,0,0,0,0|2,0,0]=4 9038 B13R1.470 CC(CCO)Oc1ccccc1F 34a_100000210171_100009893172 [0,2,0,0,0,0|2,0,0]=4 9039 B13R1.470 CC(CCO)Oc1ccccc1F 7a_100000210171_100009893172 [0,2,0,0,0,0|2,0,0]=4 9040 B13R1.470 CC(CCO)Oc1ccccc1I 34a_100000739446_100009893172 [0,2,0,0,0,0|2,0,0]=4 9041 B13R1.470 CC(CCO)Oc1ccccc1I 7a_100000739446_100009893172 [0,2,0,0,0,0|2,0,0]=4 9042 B13R1.470 CC(CCO)Oc1ccccc1N 34a_100000185747_100009893172 [0,2,0,0,0,0|2,0,0]=4 9043 B13R1.470 CC(CCO)Oc1ccccc1N 7a_100000185747_100009893172 [0,2,0,0,0,0|2,0,0]=4 9044 B13R1.470 CC(CCO)Sc1ccccc1Br 62a_100000695589_100009893172 [0,2,0,0,0,0|2,0,0]=4 9045 B13R1.470 CC(CCO)Sc1ccccc1Br 62a_100009893172_100000695589 [0,2,0,0,0,0|2,0,0]=4 9046 B13R1.470 CC(CCO)Sc1ccccc1Cl 62a_100000764095_100009893172 [0,2,0,0,0,0|2,0,0]=4 9047 B13R1.470 CC(CCO)Sc1ccccc1Cl 62a_100009893172_100000764095 [0,2,0,0,0,0|2,0,0]=4 9048 B13R1.470 CC(CCO)Sc1ccccc1F 62a_100009893172_100011215700 [0,2,0,0,0,0|2,0,0]=4 9049 B13R1.470 CC(CCO)Sc1ccccc1F 62a_100011215700_100009893172 [0,2,0,0,0,0|2,0,0]=4 9050 B13R1.470 CC(CCO)Sc1ccccc1N 62a_100000210017_100009893172 [0,2,0,0,0,0|2,0,0]=4 9051 B13R1.470 CC(CCO)Sc1ccccc1N 62a_100009893172_100000210017 [0,2,0,0,0,0|2,0,0]=4 9052 B13R1.470 CC(CCO)Sc1ccccc1O 62a_100000739446_100009893172 [0,2,0,0,0,0|2,0,0]=4 9053 B13R1.470 CC(CCO)Sc1ccccc1O 62a_100009893172_100000739446 [0,2,0,0,0,0|2,0,0]=4 9054 B13R1.470 CC(CN[13CH3])Oc1ccccc1Cl 2230a_100000763343_200025704644 [0,2,0,0,0,0|1,0,0]=3 9055 B13R1.470 CC(CN[13CH3])Oc1ccccc1Cl 34a_100000763343_200025704644 [0,2,0,0,0,0|1,0,0]=3 9056 B13R1.470 CCCC(C)Nc1ccccc1Br 34a_100000210017_100000766640 [0,2,0,0,0,0|2,0,0]=4 9057 B13R1.470 CCCC(C)Nc1ccccc1C 34a_100015192222_100000766640 [0,2,0,0,0,0|2,0,0]=4 9058 B13R1.470 CCCC(C)Nc1ccccc1Cl 34a_100000185783_100000766640 [0,2,0,0,0,0|2,0,0]=4 9059 B13R1.470 CCCC(C)Nc1ccccc1F 34a_100000210422_100000766640 [0,2,0,0,0,0|2,0,0]=4 9060 B13R1.470 CCCC(C)Nc1ccccc1I 34a_100000210053_100000766640 [0,2,0,0,0,0|2,0,0]=4 9061 B13R1.470 CCCC(C)Nc1ccccc1O 34a_100000185747_100000766640 [0,2,0,0,0,0|2,0,0]=4 9062 B13R1.470 CCCC(C)Oc1ccccc1Br 34a_100000181306_100000766640 [0,2,0,0,0,0|2,0,0]=4 9063 B13R1.470 CCCC(C)Oc1ccccc1Br 7a_100000181306_100000766640 [0,2,0,0,0,0|2,0,0]=4 9064 B13R1.470 CCCC(C)Oc1ccccc1C 34a_100000210338_100000766640 [0,2,0,0,0,0|2,0,0]=4 9065 B13R1.470 CCCC(C)Oc1ccccc1C 7a_100000210338_100000766640 [0,2,0,0,0,0|2,0,0]=4 9066 B13R1.470 CCCC(C)Oc1ccccc1Cl 34a_100000210172_100000766640 [0,2,0,0,0,0|2,0,0]=4 9067 B13R1.470 CCCC(C)Oc1ccccc1Cl 7a_100000210172_100000766640 [0,2,0,0,0,0|2,0,0]=4 9068 B13R1.470 CCCC(C)Oc1ccccc1F 34a_100000210171_100000766640 [0,2,0,0,0,0|2,0,0]=4 9069 B13R1.470 CCCC(C)Oc1ccccc1F 7a_100000210171_100000766640 [0,2,0,0,0,0|2,0,0]=4 9070 B13R1.470 CCCC(C)Oc1ccccc1I 34a_100000739446_100000766640 [0,2,0,0,0,0|2,0,0]=4 9071 B13R1.470 CCCC(C)Oc1ccccc1I 7a_100000739446_100000766640 [0,2,0,0,0,0|2,0,0]=4 9072 B13R1.470 CCCC(C)Oc1ccccc1N 34a_100000185747_100000766640 [0,2,0,0,0,0|2,0,0]=4 9073 B13R1.470 CCCC(C)Oc1ccccc1N 7a_100000185747_100000766640 [0,2,0,0,0,0|2,0,0]=4 9074 B13R1.470 CCCC(C)Sc1ccccc1Br 62a_100000695589_100000766640 [0,2,0,0,0,0|2,0,0]=4 9075 B13R1.470 CCCC(C)Sc1ccccc1Br 62a_100000766640_100000695589 [0,2,0,0,0,0|2,0,0]=4 9076 B13R1.470 CCCC(C)Sc1ccccc1C 62a_100000210755_100000766640 [0,2,0,0,0,0|2,0,0]=4 9077 B13R1.470 CCCC(C)Sc1ccccc1C 62a_100000766640_100000210755 [0,2,0,0,0,0|2,0,0]=4 9078 B13R1.470 CCCC(C)Sc1ccccc1Cl 62a_100000764095_100000766640 [0,2,0,0,0,0|2,0,0]=4 9079 B13R1.470 CCCC(C)Sc1ccccc1Cl 62a_100000766640_100000764095 [0,2,0,0,0,0|2,0,0]=4 9080 B13R1.470 CCCC(C)Sc1ccccc1F 62a_100000766640_100011215700 [0,2,0,0,0,0|2,0,0]=4 9081 B13R1.470 CCCC(C)Sc1ccccc1F 62a_100011215700_100000766640 [0,2,0,0,0,0|2,0,0]=4 9082 B13R1.470 CCCC(C)Sc1ccccc1N 62a_100000210017_100000766640 [0,2,0,0,0,0|2,0,0]=4 9083 B13R1.470 CCCC(C)Sc1ccccc1N 62a_100000766640_100000210017 [0,2,0,0,0,0|2,0,0]=4 9084 B13R1.470 CCCC(C)Sc1ccccc1O 62a_100000739446_100000766640 [0,2,0,0,0,0|2,0,0]=4 9085 B13R1.470 CCCC(C)Sc1ccccc1O 62a_100000766640_100000739446 [0,2,0,0,0,0|2,0,0]=4 9086 B13R1.470 CCCN(C)Cc1ccccc1Br 2230a_100000184654_100000210303 [0,2,0,0,0,0|2,0,0]=4 9087 B13R1.470 CCCN(C)Cc1ccccc1Br 2230a_100000196483_200000210301 [0,2,0,0,0,0|2,0,0]=4 9088 B13R1.470 CCCN(C)Cc1ccccc1Br 2230a_100000747261_100000184730 [0,2,0,0,0,0|2,0,0]=4 9089 B13R1.470 CCCN(C)Cc1ccccc1Br 269982a_100000184654_100000210303 [0,2,0,0,0,0|2,0,0]=4 9090 B13R1.470 CCCN(C)Cc1ccccc1Br 269982a_100000196483_200000210301 [0,2,0,0,0,0|2,0,0]=4 9091 B13R1.470 CCCN(C)Cc1ccccc1Br 269982a_100000747261_100000184730 [0,2,0,0,0,0|2,0,0]=4 9092 B13R1.470 CCCN(C)Cc1ccccc1Br 26a_100000747261_100000181306 [0,2,0,0,0,0|2,0,0]=4 9093 B13R1.470 CCCN(C)Cc1ccccc1Br 270004a_100000747261_100000211189 [0,2,0,0,0,0|2,0,0]=4 9094 B13R1.470 CCCN(C)Cc1ccccc1C 2230a_100000184421_100000210303 [0,2,0,0,0,0|2,0,0]=4 9095 B13R1.470 CCCN(C)Cc1ccccc1C 2230a_100000747261_100000211839 [0,2,0,0,0,0|2,0,0]=4 9096 B13R1.470 CCCN(C)Cc1ccccc1C 2230a_100015185261_200000210301 [0,2,0,0,0,0|2,0,0]=4 9097 B13R1.470 CCCN(C)Cc1ccccc1C 269982a_100000184421_100000210303 [0,2,0,0,0,0|2,0,0]=4 9098 B13R1.470 CCCN(C)Cc1ccccc1C 269982a_100000747261_100000211839 [0,2,0,0,0,0|2,0,0]=4 9099 B13R1.470 CCCN(C)Cc1ccccc1C 269982a_100015185261_200000210301 [0,2,0,0,0,0|2,0,0]=4 9100 B13R1.470 CCCN(C)Cc1ccccc1C 270004a_100000747261_100000211143 [0,2,0,0,0,0|2,0,0]=4 9101 B13R1.470 CCCN(C)Cc1ccccc1Cl 2230a_100000184507_100000210303 [0,2,0,0,0,0|2,0,0]=4 9102 B13R1.470 CCCN(C)Cc1ccccc1Cl 2230a_100000747261_100000187162 [0,2,0,0,0,0|2,0,0]=4 9103 B13R1.470 CCCN(C)Cc1ccccc1Cl 2230a_100015184737_200000210301 [0,2,0,0,0,0|2,0,0]=4 9104 B13R1.470 CCCN(C)Cc1ccccc1Cl 269982a_100000184507_100000210303 [0,2,0,0,0,0|2,0,0]=4 9105 B13R1.470 CCCN(C)Cc1ccccc1Cl 269982a_100000747261_100000187162 [0,2,0,0,0,0|2,0,0]=4 9106 B13R1.470 CCCN(C)Cc1ccccc1Cl 269982a_100015184737_200000210301 [0,2,0,0,0,0|2,0,0]=4 9107 B13R1.470 CCCN(C)Cc1ccccc1Cl 26a_100000747261_100000210172 [0,2,0,0,0,0|2,0,0]=4 9108 B13R1.470 CCCN(C)Cc1ccccc1Cl 270004a_100000747261_100000210073 [0,2,0,0,0,0|2,0,0]=4 9109 B13R1.470 CCCN(C)Cc1ccccc1Cl 34a_100015184737_200000210301 [0,2,0,0,0,0|2,0,0]=4 9110 B13R1.470 CCCN(C)Cc1ccccc1F 2230a_100000742528_100000210303 [0,2,0,0,0,0|2,0,0]=4 9111 B13R1.470 CCCN(C)Cc1ccccc1F 2230a_100000747261_100000211605 [0,2,0,0,0,0|2,0,0]=4 9112 B13R1.470 CCCN(C)Cc1ccccc1F 2230a_100015184649_200000210301 [0,2,0,0,0,0|2,0,0]=4 9113 B13R1.470 CCCN(C)Cc1ccccc1F 269982a_100000742528_100000210303 [0,2,0,0,0,0|2,0,0]=4 9114 B13R1.470 CCCN(C)Cc1ccccc1F 269982a_100000747261_100000211605 [0,2,0,0,0,0|2,0,0]=4 9115 B13R1.470 CCCN(C)Cc1ccccc1F 269982a_100015184649_200000210301 [0,2,0,0,0,0|2,0,0]=4 9116 B13R1.470 CCCN(C)Cc1ccccc1F 270004a_100000747261_100000210811 [0,2,0,0,0,0|2,0,0]=4 9117 B13R1.470 CCCN(C)Cc1ccccc1F 34a_100000742528_100000210303 [0,2,0,0,0,0|2,0,0]=4 9118 B13R1.470 CCCN(C)Cc1ccccc1F 34a_100015184649_200000210301 [0,2,0,0,0,0|2,0,0]=4 9119 B13R1.470 CCCN(C)Cc1ccccc1I 2230a_100000747261_100011215278 [0,2,0,0,0,0|2,0,0]=4 9120 B13R1.470 CCCN(C)Cc1ccccc1I 269982a_100000747261_100011215278 [0,2,0,0,0,0|2,0,0]=4 9121 B13R1.470 CCCN(C)Cc1ccccc1I 270004a_100000747261_100000010305 [0,2,0,0,0,0|2,0,0]=4 9122 B13R1.470 CCCN(C)Cc1ccccc1O 2230a_100000749093_200000210301 [0,2,0,0,0,0|2,0,0]=4 9123 B13R1.470 CCCN(C)Cc1ccccc1O 2230a_100015189988_100000210303 [0,2,0,0,0,0|2,0,0]=4 9124 B13R1.470 CCCN(C)Cc1ccccc1O 269982a_100000749093_200000210301 [0,2,0,0,0,0|2,0,0]=4 9125 B13R1.470 CCCN(C)Cc1ccccc1O 269982a_100015189988_100000210303 [0,2,0,0,0,0|2,0,0]=4 9126 B13R1.470 CCCN([13CH3])Cc1ccccc1Br 2230a_100000196483_200025704644 [0,2,0,0,0,0|2,0,0]=4 9127 B13R1.470 CCCN([13CH3])Cc1ccccc1Br 269982a_100000196483_200025704644 [0,2,0,0,0,0|2,0,0]=4 9128 B13R1.470 CCCN([13CH3])Cc1ccccc1C 2230a_100015185261_200025704644 [0,2,0,0,0,0|2,0,0]=4 9129 B13R1.470 CCCN([13CH3])Cc1ccccc1C 269982a_100015185261_200025704644 [0,2,0,0,0,0|2,0,0]=4 9130 B13R1.470 CCCN([13CH3])Cc1ccccc1Cl 2230a_100015184737_200025704644 [0,2,0,0,0,0|2,0,0]=4 9131 B13R1.470 CCCN([13CH3])Cc1ccccc1Cl 269982a_100015184737_200025704644 [0,2,0,0,0,0|2,0,0]=4 9132 B13R1.470 CCCN([13CH3])Cc1ccccc1Cl 34a_100015184737_200025704644 [0,2,0,0,0,0|2,0,0]=4 9133 B13R1.470 CCCN([13CH3])Cc1ccccc1F 2230a_100015184649_200025704644 [0,2,0,0,0,0|2,0,0]=4 9134 B13R1.470 CCCN([13CH3])Cc1ccccc1F 269982a_100015184649_200025704644 [0,2,0,0,0,0|2,0,0]=4 9135 B13R1.470 CCCN([13CH3])Cc1ccccc1F 34a_100015184649_200025704644 [0,2,0,0,0,0|2,0,0]=4 9136 B13R1.470 CCCN([13CH3])Cc1ccccc1O 2230a_100000749093_200025704644 [0,2,0,0,0,0|2,0,0]=4 9137 B13R1.470 CCCN([13CH3])Cc1ccccc1O 269982a_100000749093_200025704644 [0,2,0,0,0,0|2,0,0]=4 9138 B13R1.470 CCNC(=O)Cc1ccccc1Br 11a_100015525214_100000751119 [0,2,0,0,0,0|1,0,1]=4 9139 B13R1.470 CCNC(=O)Cc1ccccc1Br 240690a_100015525214_100000751119 [0,2,0,0,0,0|1,0,1]=4 9140 B13R1.470 CCNC(=O)Cc1ccccc1Br 527a_100015525214_100000751119 [0,2,0,0,0,0|1,0,1]=4 9141 B13R1.470 CCNC(=O)Cc1ccccc1C 11a_100015525214_100000212180 [0,2,0,0,0,0|1,0,1]=4 9142 B13R1.470 CCNC(=O)Cc1ccccc1C 240690a_100015525214_100000212180 [0,2,0,0,0,0|1,0,1]=4 9143 B13R1.470 CCNC(=O)Cc1ccccc1C 527a_100015525214_100000212180 [0,2,0,0,0,0|1,0,1]=4 9144 B13R1.470 CCNC(=O)Cc1ccccc1Cl 11a_100015525214_100000183793 [0,2,0,0,0,0|1,0,1]=4 9145 B13R1.470 CCNC(=O)Cc1ccccc1Cl 240690a_100015525214_100000183793 [0,2,0,0,0,0|1,0,1]=4 9146 B13R1.470 CCNC(=O)Cc1ccccc1Cl 527a_100015525214_100000183793 [0,2,0,0,0,0|1,0,1]=4 9147 B13R1.470 CCNC(=O)Cc1ccccc1F 11a_100015525214_100000212012 [0,2,0,0,0,0|1,0,1]=4 9148 B13R1.470 CCNC(=O)Cc1ccccc1F 240690a_100015525214_100000212012 [0,2,0,0,0,0|1,0,1]=4 9149 B13R1.470 CCNC(=O)Cc1ccccc1F 527a_100015525214_100000212012 [0,2,0,0,0,0|1,0,1]=4 9150 B13R1.470 CCNC(=O)Cc1ccccc1I 11a_100015525214_100000036491 [0,2,0,0,0,0|1,0,1]=4 9151 B13R1.470 CCNC(=O)Cc1ccccc1I 240690a_100015525214_100000036491 [0,2,0,0,0,0|1,0,1]=4 9152 B13R1.470 CCNC(=O)Cc1ccccc1I 527a_100015525214_100000036491 [0,2,0,0,0,0|1,0,1]=4 9153 B13R1.470 CCNC(=O)Cc1ccccc1O 240690a_100015525214_100000743006 [0,2,0,0,0,0|1,0,1]=4 9154 B13R1.470 CCNC(=O)Cc1ccccc1O 271570a_203496583355_200009816148 [0,2,0,0,0,0|1,0,1]=4 9155 B13R1.470 CCNC(=O)Cc1ccccc1O 527a_100015525214_100000743006 [0,2,0,0,0,0|1,0,1]=4 9156 B13R1.470 CCNC(C)Cc1ccccc1Br 270004a_100015525214_100011350739 [0,2,0,0,0,0|0,0,0]=2 9157 B13R1.470 CCNC(C)Cc1ccccc1C 270004a_100015525214_200000764500 [0,2,0,0,0,0|0,0,0]=2 9158 B13R1.470 CCNC(C)Cc1ccccc1Cl 270004a_100015525214_100000758791 [0,2,0,0,0,0|0,0,0]=2 9159 B13R1.470 CCNC(C)Cc1ccccc1F 270004a_100015525214_100000709178 [0,2,0,0,0,0|0,0,0]=2 9160 B13R1.470 CCNC(C)Cc1ncccc1C 270004a_100015525214_100011823981 [0,2,0,0,0,0|1,0,0]=3 9161 B13R1.470 CN(CCF)Cc1ccccc1Br 2230a_100000184654_100011217306 [0,2,0,0,0,0|2,0,0]=4 9162 B13R1.470 CN(CCF)Cc1ccccc1Br 269982a_100000184654_100011217306 [0,2,0,0,0,0|2,0,0]=4 9163 B13R1.470 CN(CCF)Cc1ccccc1Cl 2230a_100000184507_100011217306 [0,2,0,0,0,0|2,0,0]=4 9164 B13R1.470 CN(CCF)Cc1ccccc1Cl 269982a_100000184507_100011217306 [0,2,0,0,0,0|2,0,0]=4 9165 B13R1.470 CN(CCF)Cc1ccccc1F 2230a_100000742528_100011217306 [0,2,0,0,0,0|2,0,0]=4 9166 B13R1.470 CN(CCF)Cc1ccccc1F 269982a_100000742528_100011217306 [0,2,0,0,0,0|2,0,0]=4 9167 B13R1.470 CN(CCF)Cc1ccccc1F 34a_100000742528_100011217306 [0,2,0,0,0,0|2,0,0]=4 9168 B13R1.470 CN(CCF)Cc1ccccc1O 2230a_100015189988_100011217306 [0,2,0,0,0,0|2,0,0]=4 9169 B13R1.470 CN(CCF)Cc1ccccc1O 269982a_100015189988_100011217306 [0,2,0,0,0,0|2,0,0]=4 9170 B13R1.470 CN(CCO)Cc1ccccc1Br 2230a_100000184654_100000211926 [0,2,0,0,0,0|2,0,0]=4 9171 B13R1.470 CN(CCO)Cc1ccccc1Br 2230a_100000210263_100000184730 [0,2,0,0,0,0|2,0,0]=4 9172 B13R1.470 CN(CCO)Cc1ccccc1Br 2230a_106744479749_200000210301 [0,2,0,0,0,0|2,0,0]=4 9173 B13R1.470 CN(CCO)Cc1ccccc1Br 269982a_100000184654_100000211926 [0,2,0,0,0,0|2,0,0]=4 9174 B13R1.470 CN(CCO)Cc1ccccc1Br 269982a_100000210263_100000184730 [0,2,0,0,0,0|2,0,0]=4 9175 B13R1.470 CN(CCO)Cc1ccccc1Br 269982a_106744479749_200000210301 [0,2,0,0,0,0|2,0,0]=4 9176 B13R1.470 CN(CCO)Cc1ccccc1Br 26a_100000210263_100000181306 [0,2,0,0,0,0|2,0,0]=4 9177 B13R1.470 CN(CCO)Cc1ccccc1Br 270004a_100000210263_100000211189 [0,2,0,0,0,0|2,0,0]=4 9178 B13R1.470 CN(CCO)Cc1ccccc1Cl 2230a_100000184507_100000211926 [0,2,0,0,0,0|2,0,0]=4 9179 B13R1.470 CN(CCO)Cc1ccccc1Cl 2230a_100000210263_100000187162 [0,2,0,0,0,0|2,0,0]=4 9180 B13R1.470 CN(CCO)Cc1ccccc1Cl 2230a_100015187164_200000210301 [0,2,0,0,0,0|2,0,0]=4 9181 B13R1.470 CN(CCO)Cc1ccccc1Cl 269982a_100000184507_100000211926 [0,2,0,0,0,0|2,0,0]=4 9182 B13R1.470 CN(CCO)Cc1ccccc1Cl 269982a_100000210263_100000187162 [0,2,0,0,0,0|2,0,0]=4 9183 B13R1.470 CN(CCO)Cc1ccccc1Cl 269982a_100015187164_200000210301 [0,2,0,0,0,0|2,0,0]=4 9184 B13R1.470 CN(CCO)Cc1ccccc1Cl 26a_100000210263_100000210172 [0,2,0,0,0,0|2,0,0]=4 9185 B13R1.470 CN(CCO)Cc1ccccc1Cl 270004a_100000210263_100000210073 [0,2,0,0,0,0|2,0,0]=4 9186 B13R1.470 CN(CCO)Cc1ccccc1Cl 34a_100015187164_200000210301 [0,2,0,0,0,0|2,0,0]=4 9187 B13R1.470 CN(CCO)Cc1ccccc1F 2230a_100000210263_100000211605 [0,2,0,0,0,0|2,0,0]=4 9188 B13R1.470 CN(CCO)Cc1ccccc1F 2230a_100000742528_100000211926 [0,2,0,0,0,0|2,0,0]=4 9189 B13R1.470 CN(CCO)Cc1ccccc1F 269982a_100000210263_100000211605 [0,2,0,0,0,0|2,0,0]=4 9190 B13R1.470 CN(CCO)Cc1ccccc1F 269982a_100000742528_100000211926 [0,2,0,0,0,0|2,0,0]=4 9191 B13R1.470 CN(CCO)Cc1ccccc1F 270004a_100000210263_100000210811 [0,2,0,0,0,0|2,0,0]=4 9192 B13R1.470 CN(CCO)Cc1ccccc1F 34a_100000742528_100000211926 [0,2,0,0,0,0|2,0,0]=4 9193 B13R1.470 CN(CCO)Cc1ccccc1I 2230a_100000210263_100011215278 [0,2,0,0,0,0|2,0,0]=4 9194 B13R1.470 CN(CCO)Cc1ccccc1I 269982a_100000210263_100011215278 [0,2,0,0,0,0|2,0,0]=4 9195 B13R1.470 CN(CCO)Cc1ccccc1I 270004a_100000210263_100000010305 [0,2,0,0,0,0|2,0,0]=4 9196 B13R1.470 CN(CCO)Cc1ccccc1O 2230a_100015189988_100000211926 [0,2,0,0,0,0|2,0,0]=4 9197 B13R1.470 CN(CCO)Cc1ccccc1O 269982a_100015189988_100000211926 [0,2,0,0,0,0|2,0,0]=4 9198 B13R1.470 CNCC(=O)Cc1ccccc1Br 2230a_106832991635_100000700504 [0,2,0,0,0,0|1,0,1]=4 9199 B13R1.470 CNCC(=O)Cc1ccccc1Br 34a_100102657272_100000700504 [0,2,0,0,0,0|1,0,1]=4 9200 B13R1.470 CNCC(=O)Cc1ccccc1Br 7a_106832991635_100000700504 [0,2,0,0,0,0|1,0,1]=4 9201 B13R1.470 CNCC(=O)Cc1ccccc1C 2230a_106832991635_100011223134 [0,2,0,0,0,0|1,0,1]=4 9202 B13R1.470 CNCC(=O)Cc1ccccc1C 7a_106832991635_100011223134 [0,2,0,0,0,0|1,0,1]=4 9203 B13R1.470 CNCC(C)Oc1ccccc1Cl 2230a_100000763343_200000210301 [0,2,0,0,0,0|1,0,0]=3 9204 B13R1.470 CNCC(C)Oc1ccccc1Cl 34a_100000763343_200000210301 [0,2,0,0,0,0|1,0,0]=3 9205 B13R1.470 CNNC(=O)Cc1ccccc1Br 22a_100016993582_100000751119 [0,2,0,0,0,0|1,0,1]=4 9206 B13R1.470 CNNC(=O)Cc1ccccc1C 22a_100016993582_100000212180 [0,2,0,0,0,0|1,0,1]=4 9207 B13R1.470 CNNC(=O)Cc1ccccc1Cl 22a_100016993582_100000183793 [0,2,0,0,0,0|1,0,1]=4 9208 B13R1.470 CNNC(=O)Cc1ccccc1F 22a_100016993582_100000212012 [0,2,0,0,0,0|1,0,1]=4 9209 B13R1.470 CNNC(=O)Cc1ccccc1I 22a_100016993582_100000036491 [0,2,0,0,0,0|1,0,1]=4 9210 B13R1.470 CNNC(=O)Cc1ccccc1O 22a_100016993582_100000743006 [0,2,0,0,0,0|1,0,1]=4 9211 B13R1.470 COCC(C)Nc1ccccc1Br 34a_100000210017_100000765312 [0,2,0,0,0,0|2,0,0]=4 9212 B13R1.470 COCC(C)Nc1ccccc1C 34a_100015192222_100000765312 [0,2,0,0,0,0|2,0,0]=4 9213 B13R1.470 COCC(C)Nc1ccccc1Cl 34a_100000185783_100000765312 [0,2,0,0,0,0|2,0,0]=4 9214 B13R1.470 COCC(C)Nc1ccccc1F 34a_100000210422_100000765312 [0,2,0,0,0,0|2,0,0]=4 9215 B13R1.470 COCC(C)Nc1ccccc1I 34a_100000210053_100000765312 [0,2,0,0,0,0|2,0,0]=4 9216 B13R1.470 COCC(C)Nc1ccccc1O 34a_100000185747_100000765312 [0,2,0,0,0,0|2,0,0]=4 9217 B13R1.470 COCC(C)Oc1ccccc1Br 34a_100000181306_100000765312 [0,2,0,0,0,0|2,0,0]=4 9218 B13R1.470 COCC(C)Oc1ccccc1Br 7a_100000181306_100000765312 [0,2,0,0,0,0|2,0,0]=4 9219 B13R1.470 COCC(C)Oc1ccccc1C 34a_100000210338_100000765312 [0,2,0,0,0,0|2,0,0]=4 9220 B13R1.470 COCC(C)Oc1ccccc1C 7a_100000210338_100000765312 [0,2,0,0,0,0|2,0,0]=4 9221 B13R1.470 COCC(C)Oc1ccccc1Cl 34a_100000210172_100000765312 [0,2,0,0,0,0|2,0,0]=4 9222 B13R1.470 COCC(C)Oc1ccccc1Cl 7a_100000210172_100000765312 [0,2,0,0,0,0|2,0,0]=4 9223 B13R1.470 COCC(C)Oc1ccccc1F 34a_100000210171_100000765312 [0,2,0,0,0,0|2,0,0]=4 9224 B13R1.470 COCC(C)Oc1ccccc1F 7a_100000210171_100000765312 [0,2,0,0,0,0|2,0,0]=4 9225 B13R1.470 COCC(C)Oc1ccccc1I 34a_100000739446_100000765312 [0,2,0,0,0,0|2,0,0]=4 9226 B13R1.470 COCC(C)Oc1ccccc1I 7a_100000739446_100000765312 [0,2,0,0,0,0|2,0,0]=4 9227 B13R1.470 COCC(C)Oc1ccccc1N 34a_100000185747_100000765312 [0,2,0,0,0,0|2,0,0]=4 9228 B13R1.470 COCC(C)Oc1ccccc1N 7a_100000185747_100000765312 [0,2,0,0,0,0|2,0,0]=4 9229 B13R1.470 COCC(C)Sc1ccccc1Br 62a_100000695589_100000765312 [0,2,0,0,0,0|2,0,0]=4 9230 B13R1.470 COCC(C)Sc1ccccc1Br 62a_100000765312_100000695589 [0,2,0,0,0,0|2,0,0]=4 9231 B13R1.470 COCC(C)Sc1ccccc1C 62a_100000210755_100000765312 [0,2,0,0,0,0|2,0,0]=4 9232 B13R1.470 COCC(C)Sc1ccccc1C 62a_100000765312_100000210755 [0,2,0,0,0,0|2,0,0]=4 9233 B13R1.470 COCC(C)Sc1ccccc1Cl 62a_100000764095_100000765312 [0,2,0,0,0,0|2,0,0]=4 9234 B13R1.470 COCC(C)Sc1ccccc1Cl 62a_100000765312_100000764095 [0,2,0,0,0,0|2,0,0]=4 9235 B13R1.470 COCC(C)Sc1ccccc1F 62a_100000765312_100011215700 [0,2,0,0,0,0|2,0,0]=4 9236 B13R1.470 COCC(C)Sc1ccccc1F 62a_100011215700_100000765312 [0,2,0,0,0,0|2,0,0]=4 9237 B13R1.470 COCC(C)Sc1ccccc1N 62a_100000210017_100000765312 [0,2,0,0,0,0|2,0,0]=4 9238 B13R1.470 COCC(C)Sc1ccccc1N 62a_100000765312_100000210017 [0,2,0,0,0,0|2,0,0]=4 9239 B13R1.470 COCC(C)Sc1ccccc1O 62a_100000739446_100000765312 [0,2,0,0,0,0|2,0,0]=4 9240 B13R1.470 COCC(C)Sc1ccccc1O 62a_100000765312_100000739446 [0,2,0,0,0,0|2,0,0]=4 9241 B13R1.470 COCC(N)Cc1ccccc1Cl 34a_100012001541_200000210301 [0,2,0,0,0,0|2,0,0]=4 9242 B13R1.470 COCN(C)Cc1ccccc1Br 2230a_100000184654_100000766300 [0,2,0,0,0,0|2,0,0]=4 9243 B13R1.470 COCN(C)Cc1ccccc1Br 269982a_100000184654_100000766300 [0,2,0,0,0,0|2,0,0]=4 9244 B13R1.470 COCN(C)Cc1ccccc1C 2230a_100000184421_100000766300 [0,2,0,0,0,0|2,0,0]=4 9245 B13R1.470 COCN(C)Cc1ccccc1C 269982a_100000184421_100000766300 [0,2,0,0,0,0|2,0,0]=4 9246 B13R1.470 COCN(C)Cc1ccccc1Cl 2230a_100000184507_100000766300 [0,2,0,0,0,0|2,0,0]=4 9247 B13R1.470 COCN(C)Cc1ccccc1Cl 269982a_100000184507_100000766300 [0,2,0,0,0,0|2,0,0]=4 9248 B13R1.470 COCN(C)Cc1ccccc1F 2230a_100000742528_100000766300 [0,2,0,0,0,0|2,0,0]=4 9249 B13R1.470 COCN(C)Cc1ccccc1F 269982a_100000742528_100000766300 [0,2,0,0,0,0|2,0,0]=4 9250 B13R1.470 COCN(C)Cc1ccccc1O 2230a_100015189988_100000766300 [0,2,0,0,0,0|2,0,0]=4 9251 B13R1.470 COCN(C)Cc1ccccc1O 269982a_100015189988_100000766300 [0,2,0,0,0,0|2,0,0]=4 9252 B13R1.470 CSCN(C)Cc1ccccc1Br 2230a_100000184654_100011218213 [0,2,0,0,0,0|2,0,0]=4 9253 B13R1.470 CSCN(C)Cc1ccccc1Br 269982a_100000184654_100011218213 [0,2,0,0,0,0|2,0,0]=4 9254 B13R1.470 CSCN(C)Cc1ccccc1C 2230a_100000184421_100011218213 [0,2,0,0,0,0|2,0,0]=4 9255 B13R1.470 CSCN(C)Cc1ccccc1C 269982a_100000184421_100011218213 [0,2,0,0,0,0|2,0,0]=4 9256 B13R1.470 CSCN(C)Cc1ccccc1Cl 2230a_100000184507_100011218213 [0,2,0,0,0,0|2,0,0]=4 9257 B13R1.470 CSCN(C)Cc1ccccc1Cl 269982a_100000184507_100011218213 [0,2,0,0,0,0|2,0,0]=4 9258 B13R1.470 CSCN(C)Cc1ccccc1F 2230a_100000742528_100011218213 [0,2,0,0,0,0|2,0,0]=4 9259 B13R1.470 CSCN(C)Cc1ccccc1F 269982a_100000742528_100011218213 [0,2,0,0,0,0|2,0,0]=4 9260 B13R1.470 CSCN(C)Cc1ccccc1F 34a_100000742528_100011218213 [0,2,0,0,0,0|2,0,0]=4 9261 B13R1.470 CSCN(C)Cc1ccccc1O 2230a_100015189988_100011218213 [0,2,0,0,0,0|2,0,0]=4 9262 B13R1.470 CSCN(C)Cc1ccccc1O 269982a_100015189988_100011218213 [0,2,0,0,0,0|2,0,0]=4 9263 B13R1.470 Cc1ccccc1CN(C)CCF 2230a_100000184421_100011217306 [0,2,0,0,0,0|2,0,0]=4 9264 B13R1.470 Cc1ccccc1CN(C)CCF 269982a_100000184421_100011217306 [0,2,0,0,0,0|2,0,0]=4 9265 B13R1.470 Cc1ccccc1CN(C)CCO 2230a_100000184421_100000211926 [0,2,0,0,0,0|2,0,0]=4 9266 B13R1.470 Cc1ccccc1CN(C)CCO 2230a_100000210263_100000211839 [0,2,0,0,0,0|2,0,0]=4 9267 B13R1.470 Cc1ccccc1CN(C)CCO 269982a_100000184421_100000211926 [0,2,0,0,0,0|2,0,0]=4 9268 B13R1.470 Cc1ccccc1CN(C)CCO 269982a_100000210263_100000211839 [0,2,0,0,0,0|2,0,0]=4 9269 B13R1.470 Cc1ccccc1CN(C)CCO 270004a_100000210263_100000211143 [0,2,0,0,0,0|2,0,0]=4 9270 B13R1.470 Cc1ccccc1NC(C)CCO 34a_100015192222_100009893172 [0,2,0,0,0,0|2,0,0]=4 9271 B13R1.470 Cc1ccccc1OC(C)CCO 34a_100000210338_100009893172 [0,2,0,0,0,0|2,0,0]=4 9272 B13R1.470 Cc1ccccc1OC(C)CCO 7a_100000210338_100009893172 [0,2,0,0,0,0|2,0,0]=4 9273 B13R1.470 Cc1ccccc1SC(C)CCO 62a_100000210755_100009893172 [0,2,0,0,0,0|2,0,0]=4 9274 B13R1.470 Cc1ccccc1SC(C)CCO 62a_100009893172_100000210755 [0,2,0,0,0,0|2,0,0]=4 9275 B13R1.470 [13CH3]N(CCO)Cc1ccccc1Br 2230a_106744479749_200025704644 [0,2,0,0,0,0|2,0,0]=4 9276 B13R1.470 [13CH3]N(CCO)Cc1ccccc1Br 269982a_106744479749_200025704644 [0,2,0,0,0,0|2,0,0]=4 9277 B13R1.470 [13CH3]N(CCO)Cc1ccccc1Cl 2230a_100015187164_200025704644 [0,2,0,0,0,0|2,0,0]=4 9278 B13R1.470 [13CH3]N(CCO)Cc1ccccc1Cl 269982a_100015187164_200025704644 [0,2,0,0,0,0|2,0,0]=4 9279 B13R1.470 [13CH3]N(CCO)Cc1ccccc1Cl 34a_100015187164_200025704644 [0,2,0,0,0,0|2,0,0]=4 9280 B13R1.470 [13CH3]OCC(N)Cc1ccccc1Cl 34a_100012001541_200025704644 [0,2,0,0,0,0|2,0,0]=4 9281 B13R1.1327 CC(C)(Cc1ccccc1)OCF 7a_100011215222_100015361967 [0,2,0,0,0,0|1,0,0]=3 9282 B13R1.1327 CCNS(=O)(=O)Cc1ccccc1 270084a_100015525214_100000211737 [0,2,0,0,0,0|2,0,0]=4 9283 B13R1.1327 CCNS(=O)(=O)Cc1ccccc1 274078a_100015525214_100000211737 [0,2,0,0,0,0|2,0,0]=4 9284 B13R1.1327 CCNS(=O)(=O)Cc1ccccc1 40a_100015525214_100000235865 [0,2,0,0,0,0|2,0,0]=4 9285 B13R1.1327 CCOC(C)(C)Cc1ccccc1 7a_100011215222_100000210202 [0,2,0,0,0,0|1,0,0]=3 9286 B13R1.1327 CNNS(=O)(=O)Cc1ccccc1 40a_100016993582_100000235865 [0,2,0,0,0,0|2,0,0]=4 9287 B13R1.21 CC(S[13CH3])C(=O)c1ccc(cc1)Br 62a_100000184162_200025704644 [0,2,0,0,0,0|1,0,1]=4 9288 B13R1.21 CC(S[13CH3])C(=O)c1ccc(cc1)Br 62a_200025704644_100000184162 [0,2,0,0,0,0|1,0,1]=4 9289 B13R1.21 CC(S[13CH3])C(=O)c1ccc(cc1)Cl 62a_100000183210_200025704644 [0,2,0,0,0,0|1,0,1]=4 9290 B13R1.21 CC(S[13CH3])C(=O)c1ccc(cc1)Cl 62a_200025704644_100000183210 [0,2,0,0,0,0|1,0,1]=4 9291 B13R1.21 CC(S[13CH3])C(=O)c1ccc(cc1)F 62a_100000229918_200025704644 [0,2,0,0,0,0|1,0,1]=4 9292 B13R1.21 CC(S[13CH3])C(=O)c1ccc(cc1)F 62a_200025704644_100000229918 [0,2,0,0,0,0|1,0,1]=4 9293 B13R1.21 CC(S[13CH3])C(=O)c1ccc(cc1)O 62a_200010205864_200025704644 [0,2,0,0,0,0|1,0,1]=4 9294 B13R1.21 CC(S[13CH3])C(=O)c1ccc(cc1)O 62a_200025704644_200010205864 [0,2,0,0,0,0|1,0,1]=4 9295 B13R1.21 CCC(C)C(=O)c1ccc(cc1)Br 1458a_100000185839_100000758301 [0,2,0,0,0,0|1,0,1]=4 9296 B13R1.21 CCC(C)C(=O)c1ccc(cc1)C 1458a_100000188618_100000758301 [0,2,0,0,0,0|1,0,1]=4 9297 B13R1.21 CCC(C)C(=O)c1ccc(cc1)Cl 1458a_100000210187_100000758301 [0,2,0,0,0,0|1,0,1]=4 9298 B13R1.21 CCC(C)C(=O)c1ccc(cc1)F 1458a_100000187176_100000758301 [0,2,0,0,0,0|1,0,1]=4 9299 B13R1.21 CCC(C)C(=O)c1ccc(cc1)I 1458a_100000187904_100000758301 [0,2,0,0,0,0|1,0,1]=4 9300 B13R1.21 CCC(C)C(=O)c1ccc(cc1)O 1458a_100000212099_100000758301 [0,2,0,0,0,0|1,0,1]=4 9301 B13R1.21 CCC(C)N(C)c1ccc(cc1)Br 2230a_100000219623_100000758301 [0,2,0,0,0,0|2,0,0]=4 9302 B13R1.21 CCC(C)N(C)c1ccc(cc1)Br 269982a_100000219623_100000758301 [0,2,0,0,0,0|2,0,0]=4 9303 B13R1.21 CCC(C)N(C)c1ccc(cc1)Br 34a_100000219623_100011215416 [0,2,0,0,0,0|2,0,0]=4 9304 B13R1.21 CCC(C)N(C)c1ccc(cc1)C 2230a_100000219977_100000758301 [0,2,0,0,0,0|2,0,0]=4 9305 B13R1.21 CCC(C)N(C)c1ccc(cc1)C 269982a_100000219977_100000758301 [0,2,0,0,0,0|2,0,0]=4 9306 B13R1.21 CCC(C)N(C)c1ccc(cc1)C 34a_100000219977_100011215416 [0,2,0,0,0,0|2,0,0]=4 9307 B13R1.21 CCC(C)N(C)c1ccc(cc1)Cl 2230a_100020629279_100000758301 [0,2,0,0,0,0|2,0,0]=4 9308 B13R1.21 CCC(C)N(C)c1ccc(cc1)Cl 269982a_100020629279_100000758301 [0,2,0,0,0,0|2,0,0]=4 9309 B13R1.21 CCC(C)N(C)c1ccc(cc1)Cl 34a_100020629279_100011215416 [0,2,0,0,0,0|2,0,0]=4 9310 B13R1.21 CCC(C)N(C)c1ccc(cc1)F 2230a_100000219829_100000758301 [0,2,0,0,0,0|2,0,0]=4 9311 B13R1.21 CCC(C)N(C)c1ccc(cc1)F 269982a_100000219829_100000758301 [0,2,0,0,0,0|2,0,0]=4 9312 B13R1.21 CCC(C)N(C)c1ccc(cc1)F 34a_100000219829_100011215416 [0,2,0,0,0,0|2,0,0]=4 9313 B13R1.21 CCC(C)N(C)c1ccc(cc1)I 2230a_100000743151_100000758301 [0,2,0,0,0,0|2,0,0]=4 9314 B13R1.21 CCC(C)N(C)c1ccc(cc1)I 269982a_100000743151_100000758301 [0,2,0,0,0,0|2,0,0]=4 9315 B13R1.21 CCC(C)N(C)c1ccc(cc1)I 34a_100000743151_100011215416 [0,2,0,0,0,0|2,0,0]=4 9316 B13R1.21 CCC(C)N(C)c1ccc(cc1)O 269982a_100000182112_100000758301 [0,2,0,0,0,0|2,0,0]=4 9317 B13R1.21 CCC(C)N(C)c1ccc(cc1)O 34a_100000182112_100011215416 [0,2,0,0,0,0|2,0,0]=4 9318 B13R1.21 CCN(C)C(C)c1ccc(cc1)Br 2230a_100000225621_100000755118 [0,2,0,0,0,0|2,0,0]=4 9319 B13R1.21 CCN(C)C(C)c1ccc(cc1)Br 2230a_100000231103_100000210202 [0,2,0,0,0,0|2,0,0]=4 9320 B13R1.21 CCN(C)C(C)c1ccc(cc1)Br 269982a_100000225621_100000755118 [0,2,0,0,0,0|2,0,0]=4 9321 B13R1.21 CCN(C)C(C)c1ccc(cc1)Br 269982a_100000231103_100000204670 [0,2,0,0,0,0|2,0,0]=4 9322 B13R1.21 CCN(C)C(C)c1ccc(cc1)C 2230a_100000225621_100011261388 [0,2,0,0,0,0|2,0,0]=4 9323 B13R1.21 CCN(C)C(C)c1ccc(cc1)C 269982a_100000225621_100011261388 [0,2,0,0,0,0|2,0,0]=4 9324 B13R1.21 CCN(C)C(C)c1ccc(cc1)Cl 2230a_100000225621_100000684792 [0,2,0,0,0,0|2,0,0]=4 9325 B13R1.21 CCN(C)C(C)c1ccc(cc1)Cl 2230a_100000231102_100000210202 [0,2,0,0,0,0|2,0,0]=4 9326 B13R1.21 CCN(C)C(C)c1ccc(cc1)Cl 269982a_100000225621_100000684792 [0,2,0,0,0,0|2,0,0]=4 9327 B13R1.21 CCN(C)C(C)c1ccc(cc1)Cl 269982a_100000231102_100000204670 [0,2,0,0,0,0|2,0,0]=4 9328 B13R1.21 CCN(C)C(C)c1ccc(cc1)F 2230a_100000222788_100000210202 [0,2,0,0,0,0|2,0,0]=4 9329 B13R1.21 CCN(C)C(C)c1ccc(cc1)F 2230a_100000222793_200000210301 [0,2,0,0,0,0|2,0,0]=4 9330 B13R1.21 CCN(C)C(C)c1ccc(cc1)F 2230a_100000225621_100000743420 [0,2,0,0,0,0|2,0,0]=4 9331 B13R1.21 CCN(C)C(C)c1ccc(cc1)F 269982a_100000222788_100000204670 [0,2,0,0,0,0|2,0,0]=4 9332 B13R1.21 CCN(C)C(C)c1ccc(cc1)F 269982a_100000222793_200000210301 [0,2,0,0,0,0|2,0,0]=4 9333 B13R1.21 CCN(C)C(C)c1ccc(cc1)F 269982a_100000225621_100000743420 [0,2,0,0,0,0|2,0,0]=4 9334 B13R1.21 CCN(C)C(C)c1ccc(cc1)F 34a_100000222788_100000210202 [0,2,0,0,0,0|2,0,0]=4 9335 B13R1.21 CCN(C)C(C)c1ccc(cc1)F 34a_100000222793_200000210301 [0,2,0,0,0,0|2,0,0]=4 9336 B13R1.21 CCN([13CH3])C(C)c1ccc(cc1)F 2230a_100000222793_200025704644 [0,2,0,0,0,0|2,0,0]=4 9337 B13R1.21 CCN([13CH3])C(C)c1ccc(cc1)F 269982a_100000222793_200025704644 [0,2,0,0,0,0|2,0,0]=4 9338 B13R1.21 CCN([13CH3])C(C)c1ccc(cc1)F 34a_100000222793_200025704644 [0,2,0,0,0,0|2,0,0]=4 9339 B13R1.21 CNC(=O)C(C)c1ccc(cc1)C 11a_106832991635_100000751627 [0,2,0,0,0,0|1,0,1]=4 9340 B13R1.21 CNC(=O)C(C)c1ccc(cc1)C 1626a_100102657272_100000751627 [0,2,0,0,0,0|1,0,1]=4 9341 B13R1.21 CNC(=O)C(C)c1ccc(cc1)C 240690a_100102657272_100000751627 [0,2,0,0,0,0|1,0,1]=4 9342 B13R1.21 CNC(=O)C(C)c1ccc(cc1)C 527a_100102657272_100000751627 [0,2,0,0,0,0|1,0,1]=4 9343 B13R1.21 CNC(=O)C(C)c1ccc(cc1)Cl 11a_106832991635_100011216001 [0,2,0,0,0,0|1,0,1]=4 9344 B13R1.21 CNC(=O)C(C)c1ccc(cc1)Cl 1626a_100102657272_100011216001 [0,2,0,0,0,0|1,0,1]=4 9345 B13R1.21 CNC(=O)C(C)c1ccc(cc1)Cl 240690a_100102657272_100011216001 [0,2,0,0,0,0|1,0,1]=4 9346 B13R1.21 CNC(=O)C(C)c1ccc(cc1)Cl 527a_100102657272_100011216001 [0,2,0,0,0,0|1,0,1]=4 9347 B13R1.21 CNC(=O)C(C)c1ccc(cc1)F 11a_106832991635_100011435297 [0,2,0,0,0,0|1,0,1]=4 9348 B13R1.21 CNC(=O)C(C)c1ccc(cc1)F 1626a_100102657272_100011435297 [0,2,0,0,0,0|1,0,1]=4 9349 B13R1.21 CNC(=O)C(C)c1ccc(cc1)F 240690a_100102657272_100011435297 [0,2,0,0,0,0|1,0,1]=4 9350 B13R1.21 CNC(=O)C(C)c1ccc(cc1)F 527a_100102657272_100011435297 [0,2,0,0,0,0|1,0,1]=4 9351 B13R1.21 CNC(=O)C(C)c1ccc(cc1)O 240690a_100102657272_100000031422 [0,2,0,0,0,0|1,0,1]=4 9352 B13R1.21 CNC(=O)C(F)c1ccc(cc1)Cl 11a_106832991635_100012277543 [0,2,0,0,0,0|1,0,1]=4 9353 B13R1.21 CNC(=O)C(F)c1ccc(cc1)Cl 1626a_100102657272_100012277543 [0,2,0,0,0,0|1,0,1]=4 9354 B13R1.21 CNC(=O)C(F)c1ccc(cc1)Cl 240690a_100102657272_100012277543 [0,2,0,0,0,0|1,0,1]=4 9355 B13R1.21 CNC(=O)C(F)c1ccc(cc1)Cl 527a_100102657272_100012277543 [0,2,0,0,0,0|1,0,1]=4 9356 B13R1.21 CNC(=O)C(O)c1ccc(cc1)Br 240690a_100102657272_100000756554 [0,2,0,0,0,0|1,0,1]=4 9357 B13R1.21 CNC(=O)C(O)c1ccc(cc1)F 240690a_100102657272_100000209909 [0,2,0,0,0,0|1,0,1]=4 9358 B13R1.21 CNC(=O)C(O)c1ccc(cc1)O 240690a_100102657272_100011215213 [0,2,0,0,0,0|1,0,1]=4 9359 B13R1.21 CNC(=O)[C@H](O)c1ccc(cc1)C 240690a_100102657272_100009815954 [0,2,0,0,0,0|1,0,1]=4 9360 B13R1.21 CNC(=O)[C@H](O)c1ccc(cc1)Cl 240690a_100102657272_100009817493 [0,2,0,0,0,0|1,0,1]=4 9361 B13R1.21 CNC(C)C(=O)c1ccc(cc1)Br 2230a_106832991635_100000184162 [0,2,0,0,0,0|0,0,1]=3 9362 B13R1.21 CNC(C)C(=O)c1ccc(cc1)Br 34a_100102657272_100000184162 [0,2,0,0,0,0|0,0,1]=3 9363 B13R1.21 CNC(C)C(=O)c1ccc(cc1)Br 7a_106832991635_100000184162 [0,2,0,0,0,0|0,0,1]=3 9364 B13R1.21 CNC(C)C(=O)c1ccc(cc1)C 2230a_106832991635_100000726416 [0,2,0,0,0,0|0,0,1]=3 9365 B13R1.21 CNC(C)C(=O)c1ccc(cc1)C 34a_100102657272_100000726416 [0,2,0,0,0,0|0,0,1]=3 9366 B13R1.21 CNC(C)C(=O)c1ccc(cc1)C 7a_106832991635_100000183984 [0,2,0,0,0,0|0,0,1]=3 9367 B13R1.21 CNC(C)C(=O)c1ccc(cc1)Cl 2230a_106832991635_100000183210 [0,2,0,0,0,0|0,0,1]=3 9368 B13R1.21 CNC(C)C(=O)c1ccc(cc1)Cl 7a_106832991635_100000183210 [0,2,0,0,0,0|0,0,1]=3 9369 B13R1.21 CNC(C)C(=O)c1ccc(cc1)F 2230a_106832991635_100000229918 [0,2,0,0,0,0|0,0,1]=3 9370 B13R1.21 CNC(C)C(=O)c1ccc(cc1)F 34a_100102657272_100000229918 [0,2,0,0,0,0|0,0,1]=3 9371 B13R1.21 CNC(C)C(=O)c1ccc(cc1)F 7a_106832991635_100000229918 [0,2,0,0,0,0|0,0,1]=3 9372 B13R1.21 CNC(C)C(=O)c1ccc(cc1)O 2230a_106832991635_200010205864 [0,2,0,0,0,0|0,0,1]=3 9373 B13R1.21 CNC(C)C(=O)c1ccc(cc1)O 34a_100102657272_200010205864 [0,2,0,0,0,0|0,0,1]=3 9374 B13R1.21 CNC(C)C(=O)c1ccc(cc1)O 7a_106832991635_200010205864 [0,2,0,0,0,0|0,0,1]=3 9375 B13R1.21 CN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 2230a_200009830414_200000210301 [0,2,0,0,0,0|0,0,0]=2 9376 B13R1.21 CN[C@H](C)[C@@H](O)c1ccc(cc1)Cl 34a_200009830414_200000210301 [0,2,0,0,0,0|0,0,0]=2 9377 B13R1.21 COC(C)C(=O)c1ccc(cc1)Br 34a_100138415774_100000184162 [0,2,0,0,0,0|1,0,1]=4 9378 B13R1.21 COC(C)C(=O)c1ccc(cc1)C 34a_100138415774_100000726416 [0,2,0,0,0,0|1,0,1]=4 9379 B13R1.21 COC(C)C(=O)c1ccc(cc1)F 34a_100138415774_100000229918 [0,2,0,0,0,0|1,0,1]=4 9380 B13R1.21 COC(C)C(=O)c1ccc(cc1)O 34a_100138415774_200010205864 [0,2,0,0,0,0|1,0,1]=4 9381 B13R1.21 COC(C)N(C)c1ccc(cc1)Br 269982a_100000219623_100009879195 [0,2,0,0,0,0|2,0,0]=4 9382 B13R1.21 COC(C)N(C)c1ccc(cc1)C 269982a_100000219977_100009879195 [0,2,0,0,0,0|2,0,0]=4 9383 B13R1.21 COC(C)N(C)c1ccc(cc1)Cl 269982a_100020629279_100009879195 [0,2,0,0,0,0|2,0,0]=4 9384 B13R1.21 COC(C)N(C)c1ccc(cc1)F 269982a_100000219829_100009879195 [0,2,0,0,0,0|2,0,0]=4 9385 B13R1.21 COC(C)N(C)c1ccc(cc1)I 269982a_100000743151_100009879195 [0,2,0,0,0,0|2,0,0]=4 9386 B13R1.21 COC(C)N(C)c1ccc(cc1)O 269982a_100000182112_100009879195 [0,2,0,0,0,0|2,0,0]=4 9387 B13R1.21 CSC(C)C(=O)c1ccc(cc1)Br 62a_100000184162_200000210301 [0,2,0,0,0,0|1,0,1]=4 9388 B13R1.21 CSC(C)C(=O)c1ccc(cc1)Br 62a_200000210301_100000184162 [0,2,0,0,0,0|1,0,1]=4 9389 B13R1.21 CSC(C)C(=O)c1ccc(cc1)C 62a_100000726416_200000210301 [0,2,0,0,0,0|1,0,1]=4 9390 B13R1.21 CSC(C)C(=O)c1ccc(cc1)C 62a_200000210301_100000726416 [0,2,0,0,0,0|1,0,1]=4 9391 B13R1.21 CSC(C)C(=O)c1ccc(cc1)Cl 62a_100000183210_200000210301 [0,2,0,0,0,0|1,0,1]=4 9392 B13R1.21 CSC(C)C(=O)c1ccc(cc1)Cl 62a_200000210301_100000183210 [0,2,0,0,0,0|1,0,1]=4 9393 B13R1.21 CSC(C)C(=O)c1ccc(cc1)F 62a_100000229918_200000210301 [0,2,0,0,0,0|1,0,1]=4 9394 B13R1.21 CSC(C)C(=O)c1ccc(cc1)F 62a_200000210301_100000229918 [0,2,0,0,0,0|1,0,1]=4 9395 B13R1.21 CSC(C)C(=O)c1ccc(cc1)O 62a_200000210301_200010205864 [0,2,0,0,0,0|1,0,1]=4 9396 B13R1.21 CSC(C)C(=O)c1ccc(cc1)O 62a_200010205864_200000210301 [0,2,0,0,0,0|1,0,1]=4 9397 B13R1.21 C[C@@H](N[13CH3])[C@@H](O)c1ccc(cc1)Cl 2230a_200009830414_200025704644 [0,2,0,0,0,0|0,0,0]=2 9398 B13R1.21 C[C@@H](N[13CH3])[C@@H](O)c1ccc(cc1)Cl 34a_200009830414_200025704644 [0,2,0,0,0,0|0,0,0]=2 9399 B13R1.21 Cc1ccc(cc1)C(=O)C(C)S[13CH3] 62a_100000726416_200025704644 [0,2,0,0,0,0|1,0,1]=4 9400 B13R1.21 Cc1ccc(cc1)C(=O)C(C)S[13CH3] 62a_200025704644_100000726416 [0,2,0,0,0,0|1,0,1]=4 9401 B13R1.22 CC(S[13CH3])C(=O)c1cccc(c1)Br 62a_100012349134_200025704644 [0,2,0,0,0,0|1,0,1]=4 9402 B13R1.22 CC(S[13CH3])C(=O)c1cccc(c1)Br 62a_200025704644_100012349134 [0,2,0,0,0,0|1,0,1]=4 9403 B13R1.22 CC(S[13CH3])C(=O)c1cccc(c1)Cl 62a_100000184413_200025704644 [0,2,0,0,0,0|1,0,1]=4 9404 B13R1.22 CC(S[13CH3])C(=O)c1cccc(c1)Cl 62a_200025704644_100000184413 [0,2,0,0,0,0|1,0,1]=4 9405 B13R1.22 CC(S[13CH3])C(=O)c1cccc(c1)F 62a_100012356231_200025704644 [0,2,0,0,0,0|1,0,1]=4 9406 B13R1.22 CC(S[13CH3])C(=O)c1cccc(c1)F 62a_200025704644_100012356231 [0,2,0,0,0,0|1,0,1]=4 9407 B13R1.22 CCC(C)C(=O)c1cccc(c1)Br 1458a_100000210664_100000758301 [0,2,0,0,0,0|1,0,1]=4 9408 B13R1.22 CCC(C)C(=O)c1cccc(c1)C 1458a_100000189346_100000758301 [0,2,0,0,0,0|1,0,1]=4 9409 B13R1.22 CCC(C)C(=O)c1cccc(c1)Cl 1458a_100000210390_100000758301 [0,2,0,0,0,0|1,0,1]=4 9410 B13R1.22 CCC(C)C(=O)c1cccc(c1)F 1458a_100000210950_100000758301 [0,2,0,0,0,0|1,0,1]=4 9411 B13R1.22 CCC(C)C(=O)c1cccc(c1)I 1458a_100000184098_100000758301 [0,2,0,0,0,0|1,0,1]=4 9412 B13R1.22 CCC(C)C(=O)c1cccc(c1)O 1458a_100000183914_100000758301 [0,2,0,0,0,0|1,0,1]=4 9413 B13R1.22 CCC(C)N(C)c1cccc(c1)Br 2230a_100000219648_100000758301 [0,2,0,0,0,0|2,0,0]=4 9414 B13R1.22 CCC(C)N(C)c1cccc(c1)Br 269982a_100000219648_100000758301 [0,2,0,0,0,0|2,0,0]=4 9415 B13R1.22 CCC(C)N(C)c1cccc(c1)Br 34a_100000219648_100011215416 [0,2,0,0,0,0|2,0,0]=4 9416 B13R1.22 CCC(C)N(C)c1cccc(c1)C 2230a_100000219674_100000758301 [0,2,0,0,0,0|2,0,0]=4 9417 B13R1.22 CCC(C)N(C)c1cccc(c1)C 269982a_100000219674_100000758301 [0,2,0,0,0,0|2,0,0]=4 9418 B13R1.22 CCC(C)N(C)c1cccc(c1)C 34a_100000219674_100011215416 [0,2,0,0,0,0|2,0,0]=4 9419 B13R1.22 CCC(C)N(C)c1cccc(c1)Cl 2230a_100000220044_100000758301 [0,2,0,0,0,0|2,0,0]=4 9420 B13R1.22 CCC(C)N(C)c1cccc(c1)Cl 269982a_100000220044_100000758301 [0,2,0,0,0,0|2,0,0]=4 9421 B13R1.22 CCC(C)N(C)c1cccc(c1)Cl 34a_100000220044_100011215416 [0,2,0,0,0,0|2,0,0]=4 9422 B13R1.22 CCC(C)N(C)c1cccc(c1)F 2230a_100020633736_100000758301 [0,2,0,0,0,0|2,0,0]=4 9423 B13R1.22 CCC(C)N(C)c1cccc(c1)F 269982a_100020633736_100000758301 [0,2,0,0,0,0|2,0,0]=4 9424 B13R1.22 CCC(C)N(C)c1cccc(c1)F 34a_100020633736_100011215416 [0,2,0,0,0,0|2,0,0]=4 9425 B13R1.22 CCC(C)N(C)c1cccc(c1)I 2230a_100000221217_100000758301 [0,2,0,0,0,0|2,0,0]=4 9426 B13R1.22 CCC(C)N(C)c1cccc(c1)I 269982a_100000221217_100000758301 [0,2,0,0,0,0|2,0,0]=4 9427 B13R1.22 CCC(C)N(C)c1cccc(c1)I 34a_100000221217_100011215416 [0,2,0,0,0,0|2,0,0]=4 9428 B13R1.22 CCC(C)N(C)c1cccc(c1)O 2230a_100000756613_100000758301 [0,2,0,0,0,0|2,0,0]=4 9429 B13R1.22 CCC(C)N(C)c1cccc(c1)O 269982a_100000756613_100000758301 [0,2,0,0,0,0|2,0,0]=4 9430 B13R1.22 CCC(C)N(C)c1cccc(c1)O 34a_100000756613_100011215416 [0,2,0,0,0,0|2,0,0]=4 9431 B13R1.22 CCN(C)C(C)c1cccc(c1)Br 2230a_100025717457_100000210202 [0,2,0,0,0,0|2,0,0]=4 9432 B13R1.22 CCN(C)C(C)c1cccc(c1)Br 269982a_100025717457_100000204670 [0,2,0,0,0,0|2,0,0]=4 9433 B13R1.22 CCN(C)C(C)c1cccc(c1)F 2230a_100000231114_100000210202 [0,2,0,0,0,0|2,0,0]=4 9434 B13R1.22 CCN(C)C(C)c1cccc(c1)F 269982a_100000231114_100000204670 [0,2,0,0,0,0|2,0,0]=4 9435 B13R1.22 CCN(C)C(C)c1cccc(c1)F 34a_100000231114_100000210202 [0,2,0,0,0,0|2,0,0]=4 9436 B13R1.22 CNC(=O)C(C)c1cccc(c1)Br 11a_106832991635_100000722698 [0,2,0,0,0,0|1,0,1]=4 9437 B13R1.22 CNC(=O)C(C)c1cccc(c1)Br 1626a_100102657272_100000722698 [0,2,0,0,0,0|1,0,1]=4 9438 B13R1.22 CNC(=O)C(C)c1cccc(c1)Br 240690a_100102657272_100000722698 [0,2,0,0,0,0|1,0,1]=4 9439 B13R1.22 CNC(=O)C(C)c1cccc(c1)Br 527a_100102657272_100000722698 [0,2,0,0,0,0|1,0,1]=4 9440 B13R1.22 CNC(=O)C(C)c1cccc(c1)Cl 11a_106832991635_100000762818 [0,2,0,0,0,0|1,0,1]=4 9441 B13R1.22 CNC(=O)C(C)c1cccc(c1)Cl 1626a_100102657272_100000762818 [0,2,0,0,0,0|1,0,1]=4 9442 B13R1.22 CNC(=O)C(C)c1cccc(c1)Cl 240690a_100102657272_100000762818 [0,2,0,0,0,0|1,0,1]=4 9443 B13R1.22 CNC(=O)C(C)c1cccc(c1)Cl 527a_100102657272_100000762818 [0,2,0,0,0,0|1,0,1]=4 9444 B13R1.22 CNC(=O)C(C)c1cccc(c1)F 11a_106832991635_100000762896 [0,2,0,0,0,0|1,0,1]=4 9445 B13R1.22 CNC(=O)C(C)c1cccc(c1)F 1626a_100102657272_100000762896 [0,2,0,0,0,0|1,0,1]=4 9446 B13R1.22 CNC(=O)C(C)c1cccc(c1)F 240690a_100102657272_100000762896 [0,2,0,0,0,0|1,0,1]=4 9447 B13R1.22 CNC(=O)C(C)c1cccc(c1)F 527a_100102657272_100000762896 [0,2,0,0,0,0|1,0,1]=4 9448 B13R1.22 CNC(=O)C(O)c1cccc(c1)C 240690a_100102657272_100011434945 [0,2,0,0,0,0|1,0,1]=4 9449 B13R1.22 CNC(=O)C(O)c1cccc(c1)Cl 240690a_100102657272_100011216955 [0,2,0,0,0,0|1,0,1]=4 9450 B13R1.22 CNC(=O)C(O)c1cccc(c1)F 240690a_100102657272_100011434943 [0,2,0,0,0,0|1,0,1]=4 9451 B13R1.22 CNC(=O)[C@H](C)c1cccc(c1)C 11a_106832991635_200009911544 [0,2,0,0,0,0|1,0,1]=4 9452 B13R1.22 CNC(=O)[C@H](C)c1cccc(c1)C 1626a_100102657272_200009911544 [0,2,0,0,0,0|1,0,1]=4 9453 B13R1.22 CNC(=O)[C@H](C)c1cccc(c1)C 240690a_100102657272_200009911544 [0,2,0,0,0,0|1,0,1]=4 9454 B13R1.22 CNC(=O)[C@H](C)c1cccc(c1)C 527a_100102657272_200009911544 [0,2,0,0,0,0|1,0,1]=4 9455 B13R1.22 CNC(C)C(=O)c1cccc(c1)Br 2230a_106832991635_100012349134 [0,2,0,0,0,0|0,0,1]=3 9456 B13R1.22 CNC(C)C(=O)c1cccc(c1)Br 34a_100102657272_100012349134 [0,2,0,0,0,0|0,0,1]=3 9457 B13R1.22 CNC(C)C(=O)c1cccc(c1)Br 7a_106832991635_100012349134 [0,2,0,0,0,0|0,0,1]=3 9458 B13R1.22 CNC(C)C(=O)c1cccc(c1)Cl 2230a_106832991635_100000184413 [0,2,0,0,0,0|0,0,1]=3 9459 B13R1.22 CNC(C)C(=O)c1cccc(c1)Cl 34a_100102657272_100000184413 [0,2,0,0,0,0|0,0,1]=3 9460 B13R1.22 CNC(C)C(=O)c1cccc(c1)Cl 7a_106832991635_100000184413 [0,2,0,0,0,0|0,0,1]=3 9461 B13R1.22 CNC(C)C(=O)c1cccc(c1)F 2230a_106832991635_100012356231 [0,2,0,0,0,0|0,0,1]=3 9462 B13R1.22 CNC(C)C(=O)c1cccc(c1)F 34a_100102657272_100012356231 [0,2,0,0,0,0|0,0,1]=3 9463 B13R1.22 CNC(C)C(=O)c1cccc(c1)F 7a_106832991635_100012356231 [0,2,0,0,0,0|0,0,1]=3 9464 B13R1.22 COC(C)C(=O)c1cccc(c1)Br 34a_100138415774_100012349134 [0,2,0,0,0,0|1,0,1]=4 9465 B13R1.22 COC(C)C(=O)c1cccc(c1)Cl 34a_100138415774_100000184413 [0,2,0,0,0,0|1,0,1]=4 9466 B13R1.22 COC(C)C(=O)c1cccc(c1)F 34a_100138415774_100012356231 [0,2,0,0,0,0|1,0,1]=4 9467 B13R1.22 COC(C)N(C)c1cccc(c1)Br 269982a_100000219648_100009879195 [0,2,0,0,0,0|2,0,0]=4 9468 B13R1.22 COC(C)N(C)c1cccc(c1)C 269982a_100000219674_100009879195 [0,2,0,0,0,0|2,0,0]=4 9469 B13R1.22 COC(C)N(C)c1cccc(c1)Cl 269982a_100000220044_100009879195 [0,2,0,0,0,0|2,0,0]=4 9470 B13R1.22 COC(C)N(C)c1cccc(c1)F 269982a_100020633736_100009879195 [0,2,0,0,0,0|2,0,0]=4 9471 B13R1.22 COC(C)N(C)c1cccc(c1)I 269982a_100000221217_100009879195 [0,2,0,0,0,0|2,0,0]=4 9472 B13R1.22 COC(C)N(C)c1cccc(c1)O 269982a_100000756613_100009879195 [0,2,0,0,0,0|2,0,0]=4 9473 B13R1.22 CSC(C)C(=O)c1cccc(c1)Br 62a_100012349134_200000210301 [0,2,0,0,0,0|1,0,1]=4 9474 B13R1.22 CSC(C)C(=O)c1cccc(c1)Br 62a_200000210301_100012349134 [0,2,0,0,0,0|1,0,1]=4 9475 B13R1.22 CSC(C)C(=O)c1cccc(c1)Cl 62a_100000184413_200000210301 [0,2,0,0,0,0|1,0,1]=4 9476 B13R1.22 CSC(C)C(=O)c1cccc(c1)Cl 62a_200000210301_100000184413 [0,2,0,0,0,0|1,0,1]=4 9477 B13R1.22 CSC(C)C(=O)c1cccc(c1)F 62a_100012356231_200000210301 [0,2,0,0,0,0|1,0,1]=4 9478 B13R1.22 CSC(C)C(=O)c1cccc(c1)F 62a_200000210301_100012356231 [0,2,0,0,0,0|1,0,1]=4 9479 B13R1.86 CCC(CC)C(=O)c1ccccc1 1458a_100000185807_100000210505 [0,2,0,0,0,0|1,0,1]=4 9480 B13R1.86 CCC(CC)N(C)c1ccccc1 269982a_100000210012_100000210505 [0,2,0,0,0,0|2,0,0]=4 9481 B13R1.86 CCN(CC)C(C)c1ccccc1 2230a_100000724800_100000230085 [0,2,0,0,0,0|2,0,0]=4 9482 B13R1.86 CCN(CC)C(C)c1ccccc1 269956a_100000042499_100000211855 [0,2,0,0,0,0|2,0,0]=4 9483 B13R1.86 CCN(CC)C(C)c1ccccc1 269982a_100000724800_100000230085 [0,2,0,0,0,0|2,0,0]=4 9484 B13R1.86 CN[C@H](CO)[C@H](O)c1ccccc1 2230a_100000004308_200000210301 [0,2,0,0,0,0|0,0,0]=2 9485 B13R1.86 [13CH3]N[C@H](CO)[C@H](O)c1ccccc1 2230a_100000004308_200025704644 [0,2,0,0,0,0|0,0,0]=2 9486 B13R1.152 CC(=O)C(C)C(=O)c1ccccc1 1458a_100000070787_100000239700 [0,2,0,0,0,0|1,0,1]=4 9487 B13R1.152 CC(=O)C(C)C(=O)c1ccccc1 1458a_100000185807_100000179758 [0,2,0,0,0,0|1,0,1]=4 9488 B13R1.152 CC(=O)C(C)N(C)c1ccccc1 2230a_100000210012_100009814033 [0,2,0,0,0,0|2,0,0]=4 9489 B13R1.152 CC(=O)C(C)N(C)c1ccccc1 269982a_100000210012_100009814033 [0,2,0,0,0,0|2,0,0]=4 9490 B13R1.152 CC(=O)N(C)C(C)c1ccccc1 11a_100000195388_100015343762 [0,2,0,0,0,0|2,0,0]=4 9491 B13R1.152 CC(=O)N(C)C(C)c1ccccc1 1626a_100000195388_100015343762 [0,2,0,0,0,0|2,0,0]=4 9492 B13R1.152 CC(=O)N(C)C(C)c1ccccc1 240690a_100000195388_100015343762 [0,2,0,0,0,0|2,0,0]=4 9493 B13R1.152 CC(=O)N(C)C(C)c1ccccc1 527a_100000195388_100103153847 [0,2,0,0,0,0|2,0,0]=4 9494 B13R1.152 CC(C(=O)c1ccccc1)N(C)C 2230a_100102631434_100000239700 [0,2,0,0,0,0|0,0,1]=3 9495 B13R1.152 CC(C(=O)c1ccccc1)N(C)C 269982a_100102631434_100000239700 [0,2,0,0,0,0|0,0,1]=3 9496 B13R1.152 CC(C)N(C)C(C)c1ccccc1 2230a_100000195388_100000210206 [0,2,0,0,0,0|2,0,0]=4 9497 B13R1.152 CC(C)N(C)C(C)c1ccccc1 269982a_100000195388_100000210206 [0,2,0,0,0,0|2,0,0]=4 9498 B13R1.152 CC(C)N(C)C(C)c1ccccc1 269982a_100000218734_200000210301 [0,2,0,0,0,0|2,0,0]=4 9499 B13R1.152 CC(C)N(C)C(C)c1ccccc1 269982a_200000211004_100000230085 [0,2,0,0,0,0|2,0,0]=4 9500 B13R1.152 CC(C)N([13CH3])C(C)c1ccccc1 269982a_100000218734_200025704644 [0,2,0,0,0,0|2,0,0]=4 9501 B13R1.152 CN(C)C(=O)C(F)c1ccccc1 11a_100102631434_100000698975 [0,2,0,0,0,0|1,0,1]=4 9502 B13R1.152 CN(C)C(=O)C(F)c1ccccc1 1626a_100102631434_100000698975 [0,2,0,0,0,0|1,0,1]=4 9503 B13R1.152 CN(C)C(=O)C(F)c1ccccc1 240690a_100102631434_100000698975 [0,2,0,0,0,0|1,0,1]=4 9504 B13R1.152 CN(C)C(=O)C(F)c1ccccc1 527a_100102631434_100000698975 [0,2,0,0,0,0|1,0,1]=4 9505 B13R1.152 CN(C)C(=O)[C@H](O)c1ccccc1 240690a_100102631434_100000684486 [0,2,0,0,0,0|1,0,1]=4 9506 B13R1.152 C[C@H](C(=O)N(C)C)c1ccccc1 11a_100102631434_100000751047 [0,2,0,0,0,0|1,0,1]=4 9507 B13R1.152 C[C@H](C(=O)N(C)C)c1ccccc1 1626a_100102631434_100000751047 [0,2,0,0,0,0|1,0,1]=4 9508 B13R1.152 C[C@H](C(=O)N(C)C)c1ccccc1 240690a_100102631434_100000751047 [0,2,0,0,0,0|1,0,1]=4 9509 B13R1.152 C[C@H](C(=O)N(C)C)c1ccccc1 527a_100102631434_100000751047 [0,2,0,0,0,0|1,0,1]=4 9510 B13R1.263 CC(C)(O[13CH3])C(=O)c1ccccc1 34a_100011217161_200025704644 [0,2,0,0,0,0|1,0,1]=4 9511 B13R1.263 CC(C)(O[13CH3])C(=O)c1ccccc1 7a_100011217161_200025704644 [0,2,0,0,0,0|1,0,1]=4 9512 B13R1.263 CC(C)(S[13CH3])C(=O)c1ccccc1 62a_200009813919_200025704644 [0,2,0,0,0,0|1,0,1]=4 9513 B13R1.263 CC(C)(S[13CH3])C(=O)c1ccccc1 62a_200025704644_200009813919 [0,2,0,0,0,0|1,0,1]=4 9514 B13R1.263 CCC(C)(C)N(C)c1ccccc1 269982a_100000210012_100000032637 [0,2,0,0,0,0|2,0,0]=4 9515 B13R1.263 CNC(C)(C)C(=O)c1ccccc1 2230a_106832991635_200009813919 [0,2,0,0,0,0|0,0,1]=3 9516 B13R1.263 CNC(C)(C)C(=O)c1ccccc1 7a_106832991635_200009813919 [0,2,0,0,0,0|0,0,1]=3 9517 B13R1.263 COC(C)(C)C(=O)c1ccccc1 34a_100011217161_200000210301 [0,2,0,0,0,0|1,0,1]=4 9518 B13R1.263 COC(C)(C)C(=O)c1ccccc1 7a_100011217161_200000210301 [0,2,0,0,0,0|1,0,1]=4 9519 B13R1.263 CSC(C)(C)C(=O)c1ccccc1 62a_200000210301_200009813919 [0,2,0,0,0,0|1,0,1]=4 9520 B13R1.263 CSC(C)(C)C(=O)c1ccccc1 62a_200009813919_200000210301 [0,2,0,0,0,0|1,0,1]=4 9521 B13R1.532 C=CC(c1ccccc1)N(C)CC 2230a_100000225621_200000085779 [0,2,0,0,0,0|2,0,0]=4 9522 B13R1.532 C=CC(c1ccccc1)N(C)CC 269982a_100000225621_200000085779 [0,2,0,0,0,0|2,0,0]=4 9523 B13R1.532 CCC(C(=O)NC)c1ccccc1 11a_106832991635_100000211302 [0,2,0,0,0,0|1,0,1]=4 9524 B13R1.532 CCC(C(=O)NC)c1ccccc1 1626a_100102657272_100000211302 [0,2,0,0,0,0|1,0,1]=4 9525 B13R1.532 CCC(C(=O)NC)c1ccccc1 240690a_100102657272_100000211302 [0,2,0,0,0,0|1,0,1]=4 9526 B13R1.532 CCC(C(=O)NC)c1ccccc1 527a_100102657272_100000211302 [0,2,0,0,0,0|1,0,1]=4 9527 B13R1.532 CCC(C)C(NC)c1ccccc1 2230a_100025702663_200000210301 [0,2,0,0,0,0|1,0,0]=3 9528 B13R1.532 CCC(C)C(N[13CH3])c1ccccc1 2230a_100025702663_200025704644 [0,2,0,0,0,0|1,0,0]=3 9529 B13R1.532 CCC(C)N(CC)c1ccccc1 2230a_100000210013_100000758301 [0,2,0,0,0,0|2,0,0]=4 9530 B13R1.532 CCC(C)N(CC)c1ccccc1 269982a_100000210013_100000758301 [0,2,0,0,0,0|2,0,0]=4 9531 B13R1.532 CCC(C)N(CC)c1ccccc1 34a_100000210013_100011215416 [0,2,0,0,0,0|2,0,0]=4 9532 B13R1.532 CCC(c1ccccc1)N(C)CC 2230a_100000737450_200000210301 [0,2,0,0,0,0|2,0,0]=4 9533 B13R1.532 CCC(c1ccccc1)N(C)CC 2230a_100000737544_100000210202 [0,2,0,0,0,0|2,0,0]=4 9534 B13R1.532 CCC(c1ccccc1)N(C)CC 269982a_100000737450_200000210301 [0,2,0,0,0,0|2,0,0]=4 9535 B13R1.532 CCC(c1ccccc1)N(C)CC 269982a_100000737544_100000204670 [0,2,0,0,0,0|2,0,0]=4 9536 B13R1.532 CCC(c1ccccc1)N([13CH3])CC 2230a_100000737450_200025704644 [0,2,0,0,0,0|2,0,0]=4 9537 B13R1.532 CCC(c1ccccc1)N([13CH3])CC 269982a_100000737450_200025704644 [0,2,0,0,0,0|2,0,0]=4 9538 B13R1.532 CCN(c1ccccc1)C(C)OC 269982a_100000210013_100009879195 [0,2,0,0,0,0|2,0,0]=4 9539 B13R1.532 CNC(=O)C(CO)c1ccccc1 240690a_100102657272_100011218805 [0,2,0,0,0,0|1,0,1]=4 9540 B13R1.532 CNC(=O)C(NC)c1ccccc1 2230a_100000741928_200000210301 [0,2,0,0,0,0|1,0,1]=4 9541 B13R1.532 CNC(=O)C(NC)c1ccccc1 34a_100000741928_200000210301 [0,2,0,0,0,0|1,0,1]=4 9542 B13R1.532 CNC(=O)C(N[13CH3])c1ccccc1 2230a_100000741928_200025704644 [0,2,0,0,0,0|1,0,1]=4 9543 B13R1.532 CNC(=O)C(N[13CH3])c1ccccc1 34a_100000741928_200025704644 [0,2,0,0,0,0|1,0,1]=4 9544 B13R1.532 CNC(=O)C(OC)c1ccccc1 34a_100012026080_200000210301 [0,2,0,0,0,0|1,0,1]=4 9545 B13R1.532 CNC(=O)C(O[13CH3])c1ccccc1 34a_100012026080_200025704644 [0,2,0,0,0,0|1,0,1]=4 9546 B13R1.532 CNC(=O)[C@H](OC)c1ccccc1 11a_106832991635_100000698336 [0,2,0,0,0,0|1,0,1]=4 9547 B13R1.532 CNC(=O)[C@H](OC)c1ccccc1 1626a_100102657272_100000698336 [0,2,0,0,0,0|1,0,1]=4 9548 B13R1.532 CNC(=O)[C@H](OC)c1ccccc1 240690a_100102657272_100000698336 [0,2,0,0,0,0|1,0,1]=4 9549 B13R1.532 CNC(=O)[C@H](OC)c1ccccc1 527a_100102657272_100000698336 [0,2,0,0,0,0|1,0,1]=4 9550 B13R1.696 CC(S[13CH3])C(=O)c1ccccc1Cl 62a_100010255250_200025704644 [0,2,0,0,0,0|1,0,1]=4 9551 B13R1.696 CC(S[13CH3])C(=O)c1ccccc1Cl 62a_200025704644_100010255250 [0,2,0,0,0,0|1,0,1]=4 9552 B13R1.696 CCC(C)C(=O)c1ccccc1Br 1458a_100000188424_100000758301 [0,2,0,0,0,0|1,0,1]=4 9553 B13R1.696 CCC(C)C(=O)c1ccccc1C 1458a_100000212026_100000758301 [0,2,0,0,0,0|1,0,1]=4 9554 B13R1.696 CCC(C)C(=O)c1ccccc1Cl 1458a_100000185844_100000758301 [0,2,0,0,0,0|1,0,1]=4 9555 B13R1.696 CCC(C)C(=O)c1ccccc1F 1458a_100000188656_100000758301 [0,2,0,0,0,0|1,0,1]=4 9556 B13R1.696 CCC(C)C(=O)c1ccccc1I 1458a_100000187884_100000758301 [0,2,0,0,0,0|1,0,1]=4 9557 B13R1.696 CCC(C)C(=O)c1ccccc1O 1458a_100015234032_100000758301 [0,2,0,0,0,0|1,0,1]=4 9558 B13R1.696 CCC(C)C(=O)c1ccccc1[O-] 1458a_100009911694_100000758301 [0,2,0,0,0,0|1,0,1]=4 9559 B13R1.696 CCC(C)N(C)c1ccccc1Br 2230a_100020606079_100000758301 [0,2,0,0,0,0|2,0,0]=4 9560 B13R1.696 CCC(C)N(C)c1ccccc1Br 269982a_100020606079_100000758301 [0,2,0,0,0,0|2,0,0]=4 9561 B13R1.696 CCC(C)N(C)c1ccccc1Br 34a_100020606079_100011215416 [0,2,0,0,0,0|2,0,0]=4 9562 B13R1.696 CCC(C)N(C)c1ccccc1C 2230a_100000219699_100000758301 [0,2,0,0,0,0|2,0,0]=4 9563 B13R1.696 CCC(C)N(C)c1ccccc1C 269982a_100000219699_100000758301 [0,2,0,0,0,0|2,0,0]=4 9564 B13R1.696 CCC(C)N(C)c1ccccc1C 34a_100000219699_100011215416 [0,2,0,0,0,0|2,0,0]=4 9565 B13R1.696 CCC(C)N(C)c1ccccc1Cl 2230a_100000219374_100000758301 [0,2,0,0,0,0|2,0,0]=4 9566 B13R1.696 CCC(C)N(C)c1ccccc1Cl 269982a_100000219374_100000758301 [0,2,0,0,0,0|2,0,0]=4 9567 B13R1.696 CCC(C)N(C)c1ccccc1Cl 34a_100000219374_100011215416 [0,2,0,0,0,0|2,0,0]=4 9568 B13R1.696 CCC(C)N(C)c1ccccc1F 2230a_100000220357_100000758301 [0,2,0,0,0,0|2,0,0]=4 9569 B13R1.696 CCC(C)N(C)c1ccccc1F 269982a_100000220357_100000758301 [0,2,0,0,0,0|2,0,0]=4 9570 B13R1.696 CCC(C)N(C)c1ccccc1F 34a_100000220357_100011215416 [0,2,0,0,0,0|2,0,0]=4 9571 B13R1.696 CCC(C)N(C)c1ccccc1F 38a_100000220357_100011215416 [0,2,0,0,0,0|2,0,0]=4 9572 B13R1.696 CCC(C)N(C)c1ccccc1O 269982a_100000033821_100000758301 [0,2,0,0,0,0|2,0,0]=4 9573 B13R1.696 CCN(C)C(C)c1ccccc1Br 2230a_100000692418_100000210202 [0,2,0,0,0,0|2,0,0]=4 9574 B13R1.696 CCN(C)C(C)c1ccccc1Br 269982a_100000692418_100000204670 [0,2,0,0,0,0|2,0,0]=4 9575 B13R1.696 CCN(C)C(C)c1ccccc1Cl 2230a_100000225621_100000181259 [0,2,0,0,0,0|2,0,0]=4 9576 B13R1.696 CCN(C)C(C)c1ccccc1Cl 269982a_100000225621_100000181259 [0,2,0,0,0,0|2,0,0]=4 9577 B13R1.696 CCN(C)C(C)c1ccccc1F 2230a_100000225621_200000741388 [0,2,0,0,0,0|2,0,0]=4 9578 B13R1.696 CCN(C)C(C)c1ccccc1F 2230a_100000231110_100000210202 [0,2,0,0,0,0|2,0,0]=4 9579 B13R1.696 CCN(C)C(C)c1ccccc1F 269982a_100000225621_200000741388 [0,2,0,0,0,0|2,0,0]=4 9580 B13R1.696 CCN(C)C(C)c1ccccc1F 269982a_100000231110_100000204670 [0,2,0,0,0,0|2,0,0]=4 9581 B13R1.696 CCN(C)C(C)c1ccccc1F 34a_100000231110_100000210202 [0,2,0,0,0,0|2,0,0]=4 9582 B13R1.696 CNC(=O)C(C)c1ccccc1Br 11a_106832991635_100012359601 [0,2,0,0,0,0|1,0,1]=4 9583 B13R1.696 CNC(=O)C(C)c1ccccc1Br 1626a_100102657272_100012359601 [0,2,0,0,0,0|1,0,1]=4 9584 B13R1.696 CNC(=O)C(C)c1ccccc1Br 240690a_100102657272_100012359601 [0,2,0,0,0,0|1,0,1]=4 9585 B13R1.696 CNC(=O)C(C)c1ccccc1Br 527a_100102657272_100012359601 [0,2,0,0,0,0|1,0,1]=4 9586 B13R1.696 CNC(=O)C(C)c1ccccc1Cl 11a_106832991635_100011667492 [0,2,0,0,0,0|1,0,1]=4 9587 B13R1.696 CNC(=O)C(C)c1ccccc1Cl 1626a_100102657272_100011667492 [0,2,0,0,0,0|1,0,1]=4 9588 B13R1.696 CNC(=O)C(C)c1ccccc1Cl 240690a_100102657272_100011667492 [0,2,0,0,0,0|1,0,1]=4 9589 B13R1.696 CNC(=O)C(C)c1ccccc1Cl 527a_100102657272_100011667492 [0,2,0,0,0,0|1,0,1]=4 9590 B13R1.696 CNC(=O)C(O)c1ccccc1Br 240690a_100102657272_200011356456 [0,2,0,0,0,0|1,0,1]=4 9591 B13R1.696 CNC(=O)C(O)c1ccccc1Cl 240690a_100102657272_100011217820 [0,2,0,0,0,0|1,0,1]=4 9592 B13R1.696 CNC(=O)C(O)c1ccccc1F 240690a_100102657272_100011219519 [0,2,0,0,0,0|1,0,1]=4 9593 B13R1.696 CNC(C)C(=O)c1ccccc1Cl 2230a_106832991635_100010255250 [0,2,0,0,0,0|0,0,1]=3 9594 B13R1.696 CNC(C)C(=O)c1ccccc1Cl 7a_106832991635_100010255250 [0,2,0,0,0,0|0,0,1]=3 9595 B13R1.696 COC(C)N(C)c1ccccc1Br 269982a_100020606079_100009879195 [0,2,0,0,0,0|2,0,0]=4 9596 B13R1.696 COC(C)N(C)c1ccccc1C 269982a_100000219699_100009879195 [0,2,0,0,0,0|2,0,0]=4 9597 B13R1.696 COC(C)N(C)c1ccccc1Cl 269982a_100000219374_100009879195 [0,2,0,0,0,0|2,0,0]=4 9598 B13R1.696 COC(C)N(C)c1ccccc1F 269982a_100000220357_100009879195 [0,2,0,0,0,0|2,0,0]=4 9599 B13R1.696 COC(C)N(C)c1ccccc1O 269982a_100000033821_100009879195 [0,2,0,0,0,0|2,0,0]=4 9600 B13R1.696 CSC(C)C(=O)c1ccccc1Cl 62a_100010255250_200000210301 [0,2,0,0,0,0|1,0,1]=4 9601 B13R1.696 CSC(C)C(=O)c1ccccc1Cl 62a_200000210301_100010255250 [0,2,0,0,0,0|1,0,1]=4 9602 B13R1.708 CCN(C)C(C)(C)c1ccccc1 2230a_100000225621_100000034625 [0,2,0,0,0,0|2,0,0]=4 9603 B13R1.708 CCN(C)C(C)(C)c1ccccc1 269982a_100000225621_100000034625 [0,2,0,0,0,0|2,0,0]=4 9604 B13R1.708 CCN(C)C(F)(F)c1ccccc1 269982a_100000225621_100000036403 [0,2,0,0,0,0|2,0,0]=4 9605 B13R1.708 CNC(=O)C(C)(C)c1ccccc1 11a_106832991635_100000211857 [0,2,0,0,0,0|1,0,1]=4 9606 B13R1.708 CNC(=O)C(C)(C)c1ccccc1 1626a_100102657272_100000211857 [0,2,0,0,0,0|1,0,1]=4 9607 B13R1.708 CNC(=O)C(C)(C)c1ccccc1 240690a_100102657272_100000211857 [0,2,0,0,0,0|1,0,1]=4 9608 B13R1.708 CNC(=O)C(C)(C)c1ccccc1 527a_100102657272_100000211857 [0,2,0,0,0,0|1,0,1]=4 9609 B13R1.708 CNC(=O)C(F)(F)c1ccccc1 11a_106832991635_100000182030 [0,2,0,0,0,0|1,0,1]=4 9610 B13R1.708 CNC(=O)C(F)(F)c1ccccc1 1626a_100102657272_100000182030 [0,2,0,0,0,0|1,0,1]=4 9611 B13R1.708 CNC(=O)C(F)(F)c1ccccc1 240690a_100102657272_100000182030 [0,2,0,0,0,0|1,0,1]=4 9612 B13R1.708 CNC(=O)C(F)(F)c1ccccc1 527a_100102657272_100000182030 [0,2,0,0,0,0|1,0,1]=4 9613 B13R1.708 CNC(=O)[C@](C)(O)c1ccccc1 240690a_100102657272_100000753667 [0,2,0,0,0,0|1,0,1]=4 9614 B13R1.133 CC(=O)C(C)Cc1ccc(cc1)Br 1458a_100000695199_200000210301 [0,2,0,0,0,0|1,0,0]=3 9615 B13R1.133 CC(=O)C(C)Cc1ccc(cc1)F 1458a_100000746122_200000210301 [0,2,0,0,0,0|1,0,0]=3 9616 B13R1.133 CC(=O)C(C)Nc1ccc(cc1)Br 2230a_100000210018_100009814033 [0,2,0,0,0,0|2,0,0]=4 9617 B13R1.133 CC(=O)C(C)Nc1ccc(cc1)Cl 2230a_100000210052_100009814033 [0,2,0,0,0,0|2,0,0]=4 9618 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)Br 1458a_100000181392_200000210301 [0,2,0,0,0,0|2,0,0]=4 9619 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)Br 7a_100000185759_100000179758 [0,2,0,0,0,0|2,0,0]=4 9620 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)C 1458a_100000183867_200000210301 [0,2,0,0,0,0|2,0,0]=4 9621 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)C 7a_100000210336_100000179758 [0,2,0,0,0,0|2,0,0]=4 9622 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)Cl 1458a_100000184027_200000210301 [0,2,0,0,0,0|2,0,0]=4 9623 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)Cl 7a_100000210216_100000179758 [0,2,0,0,0,0|2,0,0]=4 9624 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)F 1458a_100000203723_200000210301 [0,2,0,0,0,0|2,0,0]=4 9625 B13R1.133 CC(=O)C(C)Oc1ccc(cc1)I 7a_100000212066_100000179758 [0,2,0,0,0,0|2,0,0]=4 9626 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)Br 62a_100000752885_100009814033 [0,2,0,0,0,0|2,0,0]=4 9627 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)Br 62a_100009814033_100000752885 [0,2,0,0,0,0|2,0,0]=4 9628 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)C 1458a_100000181072_200000210301 [0,2,0,0,0,0|2,0,0]=4 9629 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)C 62a_100000186775_100009814033 [0,2,0,0,0,0|2,0,0]=4 9630 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)C 62a_100009814033_100000186775 [0,2,0,0,0,0|2,0,0]=4 9631 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)Cl 1458a_100000178403_200000210301 [0,2,0,0,0,0|2,0,0]=4 9632 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)Cl 62a_100000755918_100009814033 [0,2,0,0,0,0|2,0,0]=4 9633 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)Cl 62a_100009814033_100000755918 [0,2,0,0,0,0|2,0,0]=4 9634 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)F 1458a_100000181075_200000210301 [0,2,0,0,0,0|2,0,0]=4 9635 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)F 62a_100000211213_100009814033 [0,2,0,0,0,0|2,0,0]=4 9636 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)F 62a_100009814033_100000211213 [0,2,0,0,0,0|2,0,0]=4 9637 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)N 62a_100000185761_100009814033 [0,2,0,0,0,0|2,0,0]=4 9638 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)N 62a_100009814033_100000185761 [0,2,0,0,0,0|2,0,0]=4 9639 B13R1.133 CC(=O)C(C)Sc1ccc(cc1)O 62a_100009814033_100000185759 [0,2,0,0,0,0|2,0,0]=4 9640 B13R1.133 CC(=O)C(O)Cc1ccc(cc1)Cl 1458a_100012362158_200000210301 [0,2,0,0,0,0|2,0,0]=4 9641 B13R1.133 CC(=O)C(O)Cc1ccc(cc1)F 1458a_100012179405_200000210301 [0,2,0,0,0,0|2,0,0]=4 9642 B13R1.133 CC(=O)C(O)Cc1ccc(cc1)O 1458a_100015278814_200000210301 [0,2,0,0,0,0|2,0,0]=4 9643 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)Br 11a_100000180866_100015343762 [0,2,0,0,0,0|2,0,0]=4 9644 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)Br 1626a_100000180866_100015343762 [0,2,0,0,0,0|2,0,0]=4 9645 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)Br 240690a_100000180866_100015343762 [0,2,0,0,0,0|2,0,0]=4 9646 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)Br 527a_100000180866_100103153847 [0,2,0,0,0,0|2,0,0]=4 9647 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)C 11a_100000744650_100015343762 [0,2,0,0,0,0|2,0,0]=4 9648 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)C 1626a_100000744650_100015343762 [0,2,0,0,0,0|2,0,0]=4 9649 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)C 240690a_100000744650_100015343762 [0,2,0,0,0,0|2,0,0]=4 9650 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)C 527a_100000744650_100103153847 [0,2,0,0,0,0|2,0,0]=4 9651 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)Cl 11a_100000184517_100015343762 [0,2,0,0,0,0|2,0,0]=4 9652 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)Cl 1626a_100000184517_100015343762 [0,2,0,0,0,0|2,0,0]=4 9653 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)Cl 240690a_100000184517_100015343762 [0,2,0,0,0,0|2,0,0]=4 9654 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)Cl 527a_100000184517_100103153847 [0,2,0,0,0,0|2,0,0]=4 9655 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)F 11a_100000184576_100015343762 [0,2,0,0,0,0|2,0,0]=4 9656 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)F 1626a_100000184576_100015343762 [0,2,0,0,0,0|2,0,0]=4 9657 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)F 240690a_100000184576_100015343762 [0,2,0,0,0,0|2,0,0]=4 9658 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)F 527a_100000184576_100103153847 [0,2,0,0,0,0|2,0,0]=4 9659 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)O 240690a_100000207500_100015343762 [0,2,0,0,0,0|2,0,0]=4 9660 B13R1.133 CC(=O)N(C)Cc1ccc(cc1)O 527a_100000207500_100103153847 [0,2,0,0,0,0|2,0,0]=4 9661 B13R1.133 CC(=O)[C@@H](C)Oc1ccc(cc1)O 1458a_100000005562_200000210301 [0,2,0,0,0,0|2,0,0]=4 9662 B13R1.133 CC(=O)[C@@H](O)Cc1ccc(cc1)Br 1458a_200015644258_200000210301 [0,2,0,0,0,0|2,0,0]=4 9663 B13R1.133 CC(C)N(C)Cc1ccc(cc1)Br 2230a_100000180866_100000210206 [0,2,0,0,0,0|2,0,0]=4 9664 B13R1.133 CC(C)N(C)Cc1ccc(cc1)Br 2230a_100000195760_200000210301 [0,2,0,0,0,0|2,0,0]=4 9665 B13R1.133 CC(C)N(C)Cc1ccc(cc1)Br 269982a_100000180866_100000210206 [0,2,0,0,0,0|2,0,0]=4 9666 B13R1.133 CC(C)N(C)Cc1ccc(cc1)Br 269982a_100000195760_200000210301 [0,2,0,0,0,0|2,0,0]=4 9667 B13R1.133 CC(C)N(C)Cc1ccc(cc1)Br 269982a_200000211004_100011217064 [0,2,0,0,0,0|2,0,0]=4 9668 B13R1.133 CC(C)N(C)Cc1ccc(cc1)Br 270004a_200000211004_100000186029 [0,2,0,0,0,0|2,0,0]=4 9669 B13R1.133 CC(C)N(C)Cc1ccc(cc1)Br 34a_100000195760_200000210301 [0,2,0,0,0,0|2,0,0]=4 9670 B13R1.133 CC(C)N(C)Cc1ccc(cc1)Cl 2230a_100000184517_100000210206 [0,2,0,0,0,0|2,0,0]=4 9671 B13R1.133 CC(C)N(C)Cc1ccc(cc1)Cl 2230a_100015187872_200000210301 [0,2,0,0,0,0|2,0,0]=4 9672 B13R1.133 CC(C)N(C)Cc1ccc(cc1)Cl 269982a_100000184517_100000210206 [0,2,0,0,0,0|2,0,0]=4 9673 B13R1.133 CC(C)N(C)Cc1ccc(cc1)Cl 269982a_100015187872_200000210301 [0,2,0,0,0,0|2,0,0]=4 9674 B13R1.133 CC(C)N(C)Cc1ccc(cc1)Cl 269982a_200000211004_100000187161 [0,2,0,0,0,0|2,0,0]=4 9675 B13R1.133 CC(C)N(C)Cc1ccc(cc1)Cl 270004a_200000211004_100000189385 [0,2,0,0,0,0|2,0,0]=4 9676 B13R1.133 CC(C)N(C)Cc1ccc(cc1)Cl 34a_100000184517_100000210206 [0,2,0,0,0,0|2,0,0]=4 9677 B13R1.133 CC(C)N(C)Cc1ccc(cc1)Cl 34a_100015187872_200000210301 [0,2,0,0,0,0|2,0,0]=4 9678 B13R1.133 CC(C)N(C)Cc1ccc(cc1)F 2230a_100000184576_100000210206 [0,2,0,0,0,0|2,0,0]=4 9679 B13R1.133 CC(C)N(C)Cc1ccc(cc1)F 2230a_100000195765_200000210301 [0,2,0,0,0,0|2,0,0]=4 9680 B13R1.133 CC(C)N(C)Cc1ccc(cc1)F 269982a_100000184576_100000210206 [0,2,0,0,0,0|2,0,0]=4 9681 B13R1.133 CC(C)N(C)Cc1ccc(cc1)F 269982a_100000195765_200000210301 [0,2,0,0,0,0|2,0,0]=4 9682 B13R1.133 CC(C)N(C)Cc1ccc(cc1)F 269982a_200000211004_100000198546 [0,2,0,0,0,0|2,0,0]=4 9683 B13R1.133 CC(C)N(C)Cc1ccc(cc1)F 270004a_200000211004_100000210084 [0,2,0,0,0,0|2,0,0]=4 9684 B13R1.133 CC(C)N(C)Cc1ccc(cc1)F 34a_100000184576_100000210206 [0,2,0,0,0,0|2,0,0]=4 9685 B13R1.133 CC(C)N(C)Cc1ccc(cc1)F 34a_100000195765_200000210301 [0,2,0,0,0,0|2,0,0]=4 9686 B13R1.133 CC(C)N(C)Cc1ccc(cc1)I 269982a_200000211004_100000189116 [0,2,0,0,0,0|2,0,0]=4 9687 B13R1.133 CC(C)N(C)Cc1ccc(cc1)O 2230a_100000207500_100000210206 [0,2,0,0,0,0|2,0,0]=4 9688 B13R1.133 CC(C)N(C)Cc1ccc(cc1)O 269982a_100000207500_100000210206 [0,2,0,0,0,0|2,0,0]=4 9689 B13R1.133 CC(C)N([13CH3])Cc1ccc(cc1)Br 2230a_100000195760_200025704644 [0,2,0,0,0,0|2,0,0]=4 9690 B13R1.133 CC(C)N([13CH3])Cc1ccc(cc1)Br 269982a_100000195760_200025704644 [0,2,0,0,0,0|2,0,0]=4 9691 B13R1.133 CC(C)N([13CH3])Cc1ccc(cc1)Br 34a_100000195760_200025704644 [0,2,0,0,0,0|2,0,0]=4 9692 B13R1.133 CC(C)N([13CH3])Cc1ccc(cc1)Cl 2230a_100015187872_200025704644 [0,2,0,0,0,0|2,0,0]=4 9693 B13R1.133 CC(C)N([13CH3])Cc1ccc(cc1)Cl 269982a_100015187872_200025704644 [0,2,0,0,0,0|2,0,0]=4 9694 B13R1.133 CC(C)N([13CH3])Cc1ccc(cc1)Cl 34a_100015187872_200025704644 [0,2,0,0,0,0|2,0,0]=4 9695 B13R1.133 CC(C)N([13CH3])Cc1ccc(cc1)F 2230a_100000195765_200025704644 [0,2,0,0,0,0|2,0,0]=4 9696 B13R1.133 CC(C)N([13CH3])Cc1ccc(cc1)F 269982a_100000195765_200025704644 [0,2,0,0,0,0|2,0,0]=4 9697 B13R1.133 CC(C)N([13CH3])Cc1ccc(cc1)F 34a_100000195765_200025704644 [0,2,0,0,0,0|2,0,0]=4 9698 B13R1.133 CC(Cc1ccc(cc1)Br)C(=O)[13CH3] 1458a_100000695199_200025704644 [0,2,0,0,0,0|1,0,0]=3 9699 B13R1.133 CC(Cc1ccc(cc1)Br)N(C)C 270004a_100102631434_100000691760 [0,2,0,0,0,0|0,0,0]=2 9700 B13R1.133 CC(Cc1ccc(cc1)Cl)N(C)C 270004a_100102631434_100000747806 [0,2,0,0,0,0|0,0,0]=2 9701 B13R1.133 CC(Cc1ccc(cc1)F)C(=O)[13CH3] 1458a_100000746122_200025704644 [0,2,0,0,0,0|1,0,0]=3 9702 B13R1.133 CC(Cc1ccc(cc1)F)N(C)C 270004a_100102631434_100000745281 [0,2,0,0,0,0|0,0,0]=2 9703 B13R1.133 CC(Cc1ccc(cc1)O)N(C)C 270004a_100102631434_100011218180 [0,2,0,0,0,0|0,0,0]=2 9704 B13R1.133 CC(Oc1ccc(cc1)Br)C(=O)[13CH3] 1458a_100000181392_200025704644 [0,2,0,0,0,0|2,0,0]=4 9705 B13R1.133 CC(Oc1ccc(cc1)Cl)C(=O)[13CH3] 1458a_100000184027_200025704644 [0,2,0,0,0,0|2,0,0]=4 9706 B13R1.133 CC(Oc1ccc(cc1)F)C(=O)[13CH3] 1458a_100000203723_200025704644 [0,2,0,0,0,0|2,0,0]=4 9707 B13R1.133 CC(Sc1ccc(cc1)Cl)C(=O)[13CH3] 1458a_100000178403_200025704644 [0,2,0,0,0,0|2,0,0]=4 9708 B13R1.133 CC(Sc1ccc(cc1)F)C(=O)[13CH3] 1458a_100000181075_200025704644 [0,2,0,0,0,0|2,0,0]=4 9709 B13R1.133 CN(C)C(=O)Cc1ccc(cc1)Br 11a_100102631434_100000198978 [0,2,0,0,0,0|1,0,1]=4 9710 B13R1.133 CN(C)C(=O)Cc1ccc(cc1)Br 240690a_100102631434_100000198978 [0,2,0,0,0,0|1,0,1]=4 9711 B13R1.133 CN(C)C(=O)Cc1ccc(cc1)Br 527a_100102631434_100000198978 [0,2,0,0,0,0|1,0,1]=4 9712 B13R1.133 CN(C)C(=O)Cc1ccc(cc1)Cl 11a_100102631434_100000211027 [0,2,0,0,0,0|1,0,1]=4 9713 B13R1.133 CN(C)C(=O)Cc1ccc(cc1)Cl 240690a_100102631434_100000211027 [0,2,0,0,0,0|1,0,1]=4 9714 B13R1.133 CN(C)C(=O)Cc1ccc(cc1)Cl 527a_100102631434_100000211027 [0,2,0,0,0,0|1,0,1]=4 9715 B13R1.133 CN(C)C(=O)Cc1ccc(cc1)F 11a_100102631434_100000210951 [0,2,0,0,0,0|1,0,1]=4 9716 B13R1.133 CN(C)C(=O)Cc1ccc(cc1)F 1626a_100102631434_100000210951 [0,2,0,0,0,0|1,0,1]=4 9717 B13R1.133 CN(C)C(=O)Cc1ccc(cc1)F 240690a_100102631434_100000210951 [0,2,0,0,0,0|1,0,1]=4 9718 B13R1.133 CN(C)C(=O)Cc1ccc(cc1)F 527a_100102631434_100000210951 [0,2,0,0,0,0|1,0,1]=4 9719 B13R1.133 CN(C)C(=O)Cc1ccc(cc1)I 11a_100102631434_100000688869 [0,2,0,0,0,0|1,0,1]=4 9720 B13R1.133 CN(C)C(=O)Cc1ccc(cc1)I 1626a_100102631434_100000688869 [0,2,0,0,0,0|1,0,1]=4 9721 B13R1.133 CN(C)C(=O)Cc1ccc(cc1)I 240690a_100102631434_100000688869 [0,2,0,0,0,0|1,0,1]=4 9722 B13R1.133 CN(C)C(=O)Cc1ccc(cc1)I 527a_100102631434_100000688869 [0,2,0,0,0,0|1,0,1]=4 9723 B13R1.133 CN(C)C(=O)Cc1ccc(cc1)O 1626a_100102631434_100000198540 [0,2,0,0,0,0|1,0,1]=4 9724 B13R1.133 CN(C)C(=O)Cc1ccc(cc1)O 240690a_100102631434_100000198540 [0,2,0,0,0,0|1,0,1]=4 9725 B13R1.133 CN(C)C(=O)Cc1ccc(cc1)O 271570a_203496583355_100000159674 [0,2,0,0,0,0|1,0,1]=4 9726 B13R1.133 CN(C)C(=O)Cc1ccc(cc1)O 527a_100102631434_100000198540 [0,2,0,0,0,0|1,0,1]=4 9727 B13R1.133 C[C@@H](Oc1ccc(cc1)O)C(=O)[13CH3] 1458a_100000005562_200025704644 [0,2,0,0,0,0|2,0,0]=4 9728 B13R1.133 Cc1ccc(cc1)CC(=O)N(C)C 11a_100102631434_100000212244 [0,2,0,0,0,0|1,0,1]=4 9729 B13R1.133 Cc1ccc(cc1)CC(=O)N(C)C 240690a_100102631434_100000212244 [0,2,0,0,0,0|1,0,1]=4 9730 B13R1.133 Cc1ccc(cc1)CC(=O)N(C)C 527a_100102631434_100000212244 [0,2,0,0,0,0|1,0,1]=4 9731 B13R1.133 Cc1ccc(cc1)CC(C)N(C)C 270004a_100102631434_100000751045 [0,2,0,0,0,0|0,0,0]=2 9732 B13R1.133 Cc1ccc(cc1)CN(C)C(C)C 2230a_100000195779_200000210301 [0,2,0,0,0,0|2,0,0]=4 9733 B13R1.133 Cc1ccc(cc1)CN(C)C(C)C 2230a_100000744650_100000210206 [0,2,0,0,0,0|2,0,0]=4 9734 B13R1.133 Cc1ccc(cc1)CN(C)C(C)C 269982a_100000195779_200000210301 [0,2,0,0,0,0|2,0,0]=4 9735 B13R1.133 Cc1ccc(cc1)CN(C)C(C)C 269982a_100000744650_100000210206 [0,2,0,0,0,0|2,0,0]=4 9736 B13R1.133 Cc1ccc(cc1)CN(C)C(C)C 269982a_200000211004_100000210814 [0,2,0,0,0,0|2,0,0]=4 9737 B13R1.133 Cc1ccc(cc1)CN(C)C(C)C 270004a_200000211004_100000211033 [0,2,0,0,0,0|2,0,0]=4 9738 B13R1.133 Cc1ccc(cc1)CN(C)C(C)C 34a_100000195779_200000210301 [0,2,0,0,0,0|2,0,0]=4 9739 B13R1.133 Cc1ccc(cc1)CN(C)C(C)C 34a_100000744650_100000210206 [0,2,0,0,0,0|2,0,0]=4 9740 B13R1.133 Cc1ccc(cc1)CN([13CH3])C(C)C 2230a_100000195779_200025704644 [0,2,0,0,0,0|2,0,0]=4 9741 B13R1.133 Cc1ccc(cc1)CN([13CH3])C(C)C 269982a_100000195779_200025704644 [0,2,0,0,0,0|2,0,0]=4 9742 B13R1.133 Cc1ccc(cc1)CN([13CH3])C(C)C 34a_100000195779_200025704644 [0,2,0,0,0,0|2,0,0]=4 9743 B13R1.133 Cc1ccc(cc1)OC(C)C(=O)[13CH3] 1458a_100000183867_200025704644 [0,2,0,0,0,0|2,0,0]=4 9744 B13R1.133 Cc1ccc(cc1)SC(C)C(=O)[13CH3] 1458a_100000181072_200025704644 [0,2,0,0,0,0|2,0,0]=4 9745 B13R1.133 [13CH3]C(=O)C(O)Cc1ccc(cc1)Cl 1458a_100012362158_200025704644 [0,2,0,0,0,0|2,0,0]=4 9746 B13R1.133 [13CH3]C(=O)C(O)Cc1ccc(cc1)F 1458a_100012179405_200025704644 [0,2,0,0,0,0|2,0,0]=4 9747 B13R1.133 [13CH3]C(=O)C(O)Cc1ccc(cc1)O 1458a_100015278814_200025704644 [0,2,0,0,0,0|2,0,0]=4 9748 B13R1.133 [13CH3]C(=O)[C@@H](O)Cc1ccc(cc1)Br 1458a_200015644258_200025704644 [0,2,0,0,0,0|2,0,0]=4 9749 B13R1.148 CC(=O)C(C)Nc1cccc(c1)C 2230a_100000188690_100009814033 [0,2,0,0,0,0|2,0,0]=4 9750 B13R1.148 CC(=O)C(C)Oc1cccc(c1)Br 1458a_100000246016_200000210301 [0,2,0,0,0,0|2,0,0]=4 9751 B13R1.148 CC(=O)C(C)Oc1cccc(c1)Br 7a_100000210342_100000179758 [0,2,0,0,0,0|2,0,0]=4 9752 B13R1.148 CC(=O)C(C)Oc1cccc(c1)C 1458a_100000183885_200000210301 [0,2,0,0,0,0|2,0,0]=4 9753 B13R1.148 CC(=O)C(C)Oc1cccc(c1)C 7a_100000210337_100000179758 [0,2,0,0,0,0|2,0,0]=4 9754 B13R1.148 CC(=O)C(C)Oc1cccc(c1)Cl 1458a_100000185161_200000210301 [0,2,0,0,0,0|2,0,0]=4 9755 B13R1.148 CC(=O)C(C)Oc1cccc(c1)Cl 7a_100000210295_100000179758 [0,2,0,0,0,0|2,0,0]=4 9756 B13R1.148 CC(=O)C(C)Oc1cccc(c1)F 7a_100000210426_100000179758 [0,2,0,0,0,0|2,0,0]=4 9757 B13R1.148 CC(=O)C(C)Oc1cccc(c1)I 7a_100000211634_100000179758 [0,2,0,0,0,0|2,0,0]=4 9758 B13R1.148 CC(=O)C(C)Sc1cccc(c1)Br 62a_100000691529_100009814033 [0,2,0,0,0,0|2,0,0]=4 9759 B13R1.148 CC(=O)C(C)Sc1cccc(c1)Br 62a_100009814033_100000691529 [0,2,0,0,0,0|2,0,0]=4 9760 B13R1.148 CC(=O)C(C)Sc1cccc(c1)C 62a_100009814033_100011215228 [0,2,0,0,0,0|2,0,0]=4 9761 B13R1.148 CC(=O)C(C)Sc1cccc(c1)C 62a_100011215228_100009814033 [0,2,0,0,0,0|2,0,0]=4 9762 B13R1.148 CC(=O)C(C)Sc1cccc(c1)Cl 62a_100000699651_100009814033 [0,2,0,0,0,0|2,0,0]=4 9763 B13R1.148 CC(=O)C(C)Sc1cccc(c1)Cl 62a_100009814033_100000699651 [0,2,0,0,0,0|2,0,0]=4 9764 B13R1.148 CC(=O)C(C)Sc1cccc(c1)F 62a_100000685547_100009814033 [0,2,0,0,0,0|2,0,0]=4 9765 B13R1.148 CC(=O)C(C)Sc1cccc(c1)F 62a_100009814033_100000685547 [0,2,0,0,0,0|2,0,0]=4 9766 B13R1.148 CC(=O)C(C)Sc1cccc(c1)N 62a_100000210019_100009814033 [0,2,0,0,0,0|2,0,0]=4 9767 B13R1.148 CC(=O)C(C)Sc1cccc(c1)N 62a_100009814033_100000210019 [0,2,0,0,0,0|2,0,0]=4 9768 B13R1.148 CC(=O)C(C)Sc1cccc(c1)O 62a_100009814033_100000211634 [0,2,0,0,0,0|2,0,0]=4 9769 B13R1.148 CC(=O)C(C)Sc1cccc(c1)[S] 62a_100009814033_114929384022 [0,2,0,0,0,0|2,0,0]=4 9770 B13R1.148 CC(=O)C(C)Sc1cccc(c1)[S] 62a_114929384022_100009814033 [0,2,0,0,0,0|2,0,0]=4 9771 B13R1.148 CC(=O)C(O)Cc1cccc(c1)Br 1458a_100012362086_200000210301 [0,2,0,0,0,0|2,0,0]=4 9772 B13R1.148 CC(=O)N(C)Cc1cccc(c1)Br 11a_100000187585_100015343762 [0,2,0,0,0,0|2,0,0]=4 9773 B13R1.148 CC(=O)N(C)Cc1cccc(c1)Br 1626a_100000187585_100015343762 [0,2,0,0,0,0|2,0,0]=4 9774 B13R1.148 CC(=O)N(C)Cc1cccc(c1)Br 240690a_100000187585_100015343762 [0,2,0,0,0,0|2,0,0]=4 9775 B13R1.148 CC(=O)N(C)Cc1cccc(c1)Br 527a_100000187585_100103153847 [0,2,0,0,0,0|2,0,0]=4 9776 B13R1.148 CC(=O)N(C)Cc1cccc(c1)C 11a_102495364743_100015343762 [0,2,0,0,0,0|2,0,0]=4 9777 B13R1.148 CC(=O)N(C)Cc1cccc(c1)C 1626a_102495364743_100015343762 [0,2,0,0,0,0|2,0,0]=4 9778 B13R1.148 CC(=O)N(C)Cc1cccc(c1)C 240690a_102495364743_100015343762 [0,2,0,0,0,0|2,0,0]=4 9779 B13R1.148 CC(=O)N(C)Cc1cccc(c1)C 527a_102495364743_100103153847 [0,2,0,0,0,0|2,0,0]=4 9780 B13R1.148 CC(=O)N(C)Cc1cccc(c1)Cl 11a_100020629429_100015343762 [0,2,0,0,0,0|2,0,0]=4 9781 B13R1.148 CC(=O)N(C)Cc1cccc(c1)Cl 1626a_100020629429_100015343762 [0,2,0,0,0,0|2,0,0]=4 9782 B13R1.148 CC(=O)N(C)Cc1cccc(c1)Cl 240690a_100020629429_100015343762 [0,2,0,0,0,0|2,0,0]=4 9783 B13R1.148 CC(=O)N(C)Cc1cccc(c1)Cl 527a_100020629429_100103153847 [0,2,0,0,0,0|2,0,0]=4 9784 B13R1.148 CC(=O)N(C)Cc1cccc(c1)F 11a_100000184398_100015343762 [0,2,0,0,0,0|2,0,0]=4 9785 B13R1.148 CC(=O)N(C)Cc1cccc(c1)F 1626a_100000184398_100015343762 [0,2,0,0,0,0|2,0,0]=4 9786 B13R1.148 CC(=O)N(C)Cc1cccc(c1)F 240690a_100000184398_100015343762 [0,2,0,0,0,0|2,0,0]=4 9787 B13R1.148 CC(=O)N(C)Cc1cccc(c1)F 527a_100000184398_100103153847 [0,2,0,0,0,0|2,0,0]=4 9788 B13R1.148 CC(=O)N(C)Cc1cccc(c1)O 240690a_100000207540_100015343762 [0,2,0,0,0,0|2,0,0]=4 9789 B13R1.148 CC(=O)N(C)Cc1cccc(c1)O 527a_100000207540_100103153847 [0,2,0,0,0,0|2,0,0]=4 9790 B13R1.148 CC(=O)[C@@H](O)Cc1cccc(c1)F 1458a_200016142683_200000210301 [0,2,0,0,0,0|2,0,0]=4 9791 B13R1.148 CC(C)N(C)Cc1cccc(c1)Br 2230a_100000187585_100000210206 [0,2,0,0,0,0|2,0,0]=4 9792 B13R1.148 CC(C)N(C)Cc1cccc(c1)Br 2230a_100000195767_200000210301 [0,2,0,0,0,0|2,0,0]=4 9793 B13R1.148 CC(C)N(C)Cc1cccc(c1)Br 269982a_100000187585_100000210206 [0,2,0,0,0,0|2,0,0]=4 9794 B13R1.148 CC(C)N(C)Cc1cccc(c1)Br 269982a_100000195767_200000210301 [0,2,0,0,0,0|2,0,0]=4 9795 B13R1.148 CC(C)N(C)Cc1cccc(c1)Br 269982a_200000211004_100000211773 [0,2,0,0,0,0|2,0,0]=4 9796 B13R1.148 CC(C)N(C)Cc1cccc(c1)Br 270004a_200000211004_100000210085 [0,2,0,0,0,0|2,0,0]=4 9797 B13R1.148 CC(C)N(C)Cc1cccc(c1)Br 34a_100000195767_200000210301 [0,2,0,0,0,0|2,0,0]=4 9798 B13R1.148 CC(C)N(C)Cc1cccc(c1)Cl 2230a_100000195774_200000210301 [0,2,0,0,0,0|2,0,0]=4 9799 B13R1.148 CC(C)N(C)Cc1cccc(c1)Cl 2230a_100020629429_100000210206 [0,2,0,0,0,0|2,0,0]=4 9800 B13R1.148 CC(C)N(C)Cc1cccc(c1)Cl 269982a_100000195774_200000210301 [0,2,0,0,0,0|2,0,0]=4 9801 B13R1.148 CC(C)N(C)Cc1cccc(c1)Cl 269982a_100020629429_100000210206 [0,2,0,0,0,0|2,0,0]=4 9802 B13R1.148 CC(C)N(C)Cc1cccc(c1)Cl 269982a_200000211004_100000181238 [0,2,0,0,0,0|2,0,0]=4 9803 B13R1.148 CC(C)N(C)Cc1cccc(c1)Cl 270004a_200000211004_100000210801 [0,2,0,0,0,0|2,0,0]=4 9804 B13R1.148 CC(C)N(C)Cc1cccc(c1)Cl 34a_100000195774_200000210301 [0,2,0,0,0,0|2,0,0]=4 9805 B13R1.148 CC(C)N(C)Cc1cccc(c1)F 2230a_100000184398_100000210206 [0,2,0,0,0,0|2,0,0]=4 9806 B13R1.148 CC(C)N(C)Cc1cccc(c1)F 2230a_100000195789_200000210301 [0,2,0,0,0,0|2,0,0]=4 9807 B13R1.148 CC(C)N(C)Cc1cccc(c1)F 269982a_100000184398_100000210206 [0,2,0,0,0,0|2,0,0]=4 9808 B13R1.148 CC(C)N(C)Cc1cccc(c1)F 269982a_100000195789_200000210301 [0,2,0,0,0,0|2,0,0]=4 9809 B13R1.148 CC(C)N(C)Cc1cccc(c1)F 269982a_200000211004_100000230114 [0,2,0,0,0,0|2,0,0]=4 9810 B13R1.148 CC(C)N(C)Cc1cccc(c1)F 270004a_200000211004_100000210812 [0,2,0,0,0,0|2,0,0]=4 9811 B13R1.148 CC(C)N(C)Cc1cccc(c1)F 34a_100000184398_100000210206 [0,2,0,0,0,0|2,0,0]=4 9812 B13R1.148 CC(C)N(C)Cc1cccc(c1)F 34a_100000195789_200000210301 [0,2,0,0,0,0|2,0,0]=4 9813 B13R1.148 CC(C)N(C)Cc1cccc(c1)I 269982a_200000211004_100011218688 [0,2,0,0,0,0|2,0,0]=4 9814 B13R1.148 CC(C)N(C)Cc1cccc(c1)I 270004a_200000211004_100000014684 [0,2,0,0,0,0|2,0,0]=4 9815 B13R1.148 CC(C)N(C)Cc1cccc(c1)O 2230a_100000207540_100000210206 [0,2,0,0,0,0|2,0,0]=4 9816 B13R1.148 CC(C)N(C)Cc1cccc(c1)O 269982a_100000207540_100000210206 [0,2,0,0,0,0|2,0,0]=4 9817 B13R1.148 CC(C)N(C)Cc1cccc(c1)O 269982a_200000211004_100000084143 [0,2,0,0,0,0|2,0,0]=4 9818 B13R1.148 CC(C)N(C)Cc1cccc(c1)O 270004a_200000211004_100000188321 [0,2,0,0,0,0|2,0,0]=4 9819 B13R1.148 CC(C)N([13CH3])Cc1cccc(c1)Br 2230a_100000195767_200025704644 [0,2,0,0,0,0|2,0,0]=4 9820 B13R1.148 CC(C)N([13CH3])Cc1cccc(c1)Br 269982a_100000195767_200025704644 [0,2,0,0,0,0|2,0,0]=4 9821 B13R1.148 CC(C)N([13CH3])Cc1cccc(c1)Br 34a_100000195767_200025704644 [0,2,0,0,0,0|2,0,0]=4 9822 B13R1.148 CC(C)N([13CH3])Cc1cccc(c1)Cl 2230a_100000195774_200025704644 [0,2,0,0,0,0|2,0,0]=4 9823 B13R1.148 CC(C)N([13CH3])Cc1cccc(c1)Cl 269982a_100000195774_200025704644 [0,2,0,0,0,0|2,0,0]=4 9824 B13R1.148 CC(C)N([13CH3])Cc1cccc(c1)Cl 34a_100000195774_200025704644 [0,2,0,0,0,0|2,0,0]=4 9825 B13R1.148 CC(C)N([13CH3])Cc1cccc(c1)F 2230a_100000195789_200025704644 [0,2,0,0,0,0|2,0,0]=4 9826 B13R1.148 CC(C)N([13CH3])Cc1cccc(c1)F 269982a_100000195789_200025704644 [0,2,0,0,0,0|2,0,0]=4 9827 B13R1.148 CC(C)N([13CH3])Cc1cccc(c1)F 34a_100000195789_200025704644 [0,2,0,0,0,0|2,0,0]=4 9828 B13R1.148 CC(Cc1cccc(c1)Br)N(C)C 270004a_100102631434_100000689217 [0,2,0,0,0,0|0,0,0]=2 9829 B13R1.148 CC(Cc1cccc(c1)Cl)N(C)C 270004a_100102631434_100000727212 [0,2,0,0,0,0|0,0,0]=2 9830 B13R1.148 CC(Cc1cccc(c1)F)N(C)C 270004a_100102631434_100000687711 [0,2,0,0,0,0|0,0,0]=2 9831 B13R1.148 CC(Oc1cccc(c1)Br)C(=O)[13CH3] 1458a_100000246016_200025704644 [0,2,0,0,0,0|2,0,0]=4 9832 B13R1.148 CC(Oc1cccc(c1)Cl)C(=O)[13CH3] 1458a_100000185161_200025704644 [0,2,0,0,0,0|2,0,0]=4 9833 B13R1.148 CN(C)C(=O)Cc1cccc(c1)Br 11a_100102631434_100000747190 [0,2,0,0,0,0|1,0,1]=4 9834 B13R1.148 CN(C)C(=O)Cc1cccc(c1)Br 240690a_100102631434_100000747190 [0,2,0,0,0,0|1,0,1]=4 9835 B13R1.148 CN(C)C(=O)Cc1cccc(c1)Br 527a_100102631434_100000747190 [0,2,0,0,0,0|1,0,1]=4 9836 B13R1.148 CN(C)C(=O)Cc1cccc(c1)Cl 11a_100102631434_100000749307 [0,2,0,0,0,0|1,0,1]=4 9837 B13R1.148 CN(C)C(=O)Cc1cccc(c1)Cl 1626a_100102631434_100000749307 [0,2,0,0,0,0|1,0,1]=4 9838 B13R1.148 CN(C)C(=O)Cc1cccc(c1)Cl 240690a_100102631434_100000749307 [0,2,0,0,0,0|1,0,1]=4 9839 B13R1.148 CN(C)C(=O)Cc1cccc(c1)Cl 527a_100102631434_100000749307 [0,2,0,0,0,0|1,0,1]=4 9840 B13R1.148 CN(C)C(=O)Cc1cccc(c1)F 11a_100102631434_100000211661 [0,2,0,0,0,0|1,0,1]=4 9841 B13R1.148 CN(C)C(=O)Cc1cccc(c1)F 1626a_100102631434_100000211661 [0,2,0,0,0,0|1,0,1]=4 9842 B13R1.148 CN(C)C(=O)Cc1cccc(c1)F 240690a_100102631434_100000211661 [0,2,0,0,0,0|1,0,1]=4 9843 B13R1.148 CN(C)C(=O)Cc1cccc(c1)F 527a_100102631434_100000211661 [0,2,0,0,0,0|1,0,1]=4 9844 B13R1.148 CN(C)C(=O)Cc1cccc(c1)I 11a_100102631434_100000238430 [0,2,0,0,0,0|1,0,1]=4 9845 B13R1.148 CN(C)C(=O)Cc1cccc(c1)I 1626a_100102631434_100000238430 [0,2,0,0,0,0|1,0,1]=4 9846 B13R1.148 CN(C)C(=O)Cc1cccc(c1)I 240690a_100102631434_100000238430 [0,2,0,0,0,0|1,0,1]=4 9847 B13R1.148 CN(C)C(=O)Cc1cccc(c1)I 527a_100102631434_100000238430 [0,2,0,0,0,0|1,0,1]=4 9848 B13R1.148 CN(C)C(=O)Cc1cccc(c1)O 240690a_100102631434_100000745134 [0,2,0,0,0,0|1,0,1]=4 9849 B13R1.148 CN(C)C(=O)Cc1cccc(c1)O 527a_100102631434_100000745134 [0,2,0,0,0,0|1,0,1]=4 9850 B13R1.148 Cc1cccc(c1)CC(=O)N(C)C 11a_100102631434_100011206899 [0,2,0,0,0,0|1,0,1]=4 9851 B13R1.148 Cc1cccc(c1)CC(=O)N(C)C 1626a_100102631434_100011206899 [0,2,0,0,0,0|1,0,1]=4 9852 B13R1.148 Cc1cccc(c1)CC(=O)N(C)C 240690a_100102631434_100011206899 [0,2,0,0,0,0|1,0,1]=4 9853 B13R1.148 Cc1cccc(c1)CC(=O)N(C)C 527a_100102631434_100011206899 [0,2,0,0,0,0|1,0,1]=4 9854 B13R1.148 Cc1cccc(c1)CN(C)C(C)C 2230a_100000195795_200000210301 [0,2,0,0,0,0|2,0,0]=4 9855 B13R1.148 Cc1cccc(c1)CN(C)C(C)C 2230a_102495364743_100000210206 [0,2,0,0,0,0|2,0,0]=4 9856 B13R1.148 Cc1cccc(c1)CN(C)C(C)C 269982a_100000195795_200000210301 [0,2,0,0,0,0|2,0,0]=4 9857 B13R1.148 Cc1cccc(c1)CN(C)C(C)C 269982a_102495364743_100000210206 [0,2,0,0,0,0|2,0,0]=4 9858 B13R1.148 Cc1cccc(c1)CN(C)C(C)C 269982a_200000211004_100000211840 [0,2,0,0,0,0|2,0,0]=4 9859 B13R1.148 Cc1cccc(c1)CN(C)C(C)C 270004a_200000211004_100000211157 [0,2,0,0,0,0|2,0,0]=4 9860 B13R1.148 Cc1cccc(c1)CN(C)C(C)C 34a_100000195795_200000210301 [0,2,0,0,0,0|2,0,0]=4 9861 B13R1.148 Cc1cccc(c1)CN(C)C(C)C 34a_102495364743_100000210206 [0,2,0,0,0,0|2,0,0]=4 9862 B13R1.148 Cc1cccc(c1)CN([13CH3])C(C)C 2230a_100000195795_200025704644 [0,2,0,0,0,0|2,0,0]=4 9863 B13R1.148 Cc1cccc(c1)CN([13CH3])C(C)C 269982a_100000195795_200025704644 [0,2,0,0,0,0|2,0,0]=4 9864 B13R1.148 Cc1cccc(c1)CN([13CH3])C(C)C 34a_100000195795_200025704644 [0,2,0,0,0,0|2,0,0]=4 9865 B13R1.148 Cc1cccc(c1)OC(C)C(=O)[13CH3] 1458a_100000183885_200025704644 [0,2,0,0,0,0|2,0,0]=4 9866 B13R1.148 Cc1ccnc(c1)CC(C)N(C)C 270004a_100102631434_200015184229 [0,2,0,0,0,0|1,0,0]=3 9867 B13R1.148 [13CH3]C(=O)C(O)Cc1cccc(c1)Br 1458a_100012362086_200025704644 [0,2,0,0,0,0|2,0,0]=4 9868 B13R1.148 [13CH3]C(=O)[C@@H](O)Cc1cccc(c1)F 1458a_200016142683_200025704644 [0,2,0,0,0,0|2,0,0]=4 9869 B13R1.202 CC(=O)C(C)Oc1ccccc1Br 1458a_100000246065_200000210301 [0,2,0,0,0,0|2,0,0]=4 9870 B13R1.202 CC(=O)C(C)Oc1ccccc1Br 7a_100000181306_100000179758 [0,2,0,0,0,0|2,0,0]=4 9871 B13R1.202 CC(=O)C(C)Oc1ccccc1C 1458a_100000189243_200000210301 [0,2,0,0,0,0|2,0,0]=4 9872 B13R1.202 CC(=O)C(C)Oc1ccccc1C 7a_100000210338_100000179758 [0,2,0,0,0,0|2,0,0]=4 9873 B13R1.202 CC(=O)C(C)Oc1ccccc1Cl 1458a_100000191201_200000210301 [0,2,0,0,0,0|2,0,0]=4 9874 B13R1.202 CC(=O)C(C)Oc1ccccc1Cl 7a_100000210172_100000179758 [0,2,0,0,0,0|2,0,0]=4 9875 B13R1.202 CC(=O)C(C)Oc1ccccc1F 1458a_100000191191_200000210301 [0,2,0,0,0,0|2,0,0]=4 9876 B13R1.202 CC(=O)C(C)Oc1ccccc1F 7a_100000210171_100000179758 [0,2,0,0,0,0|2,0,0]=4 9877 B13R1.202 CC(=O)C(C)Oc1ccccc1I 7a_100000739446_100000179758 [0,2,0,0,0,0|2,0,0]=4 9878 B13R1.202 CC(=O)C(C)Oc1ccccc1N 7a_100000185747_100000179758 [0,2,0,0,0,0|2,0,0]=4 9879 B13R1.202 CC(=O)C(C)Sc1ccccc1Br 62a_100000695589_100009814033 [0,2,0,0,0,0|2,0,0]=4 9880 B13R1.202 CC(=O)C(C)Sc1ccccc1Br 62a_100009814033_100000695589 [0,2,0,0,0,0|2,0,0]=4 9881 B13R1.202 CC(=O)C(C)Sc1ccccc1C 62a_100000210755_100009814033 [0,2,0,0,0,0|2,0,0]=4 9882 B13R1.202 CC(=O)C(C)Sc1ccccc1C 62a_100009814033_100000210755 [0,2,0,0,0,0|2,0,0]=4 9883 B13R1.202 CC(=O)C(C)Sc1ccccc1Cl 1458a_100000181065_200000210301 [0,2,0,0,0,0|2,0,0]=4 9884 B13R1.202 CC(=O)C(C)Sc1ccccc1Cl 62a_100000764095_100009814033 [0,2,0,0,0,0|2,0,0]=4 9885 B13R1.202 CC(=O)C(C)Sc1ccccc1Cl 62a_100009814033_100000764095 [0,2,0,0,0,0|2,0,0]=4 9886 B13R1.202 CC(=O)C(C)Sc1ccccc1F 62a_100009814033_100011215700 [0,2,0,0,0,0|2,0,0]=4 9887 B13R1.202 CC(=O)C(C)Sc1ccccc1F 62a_100011215700_100009814033 [0,2,0,0,0,0|2,0,0]=4 9888 B13R1.202 CC(=O)C(C)Sc1ccccc1N 62a_100000210017_100009814033 [0,2,0,0,0,0|2,0,0]=4 9889 B13R1.202 CC(=O)C(C)Sc1ccccc1N 62a_100009814033_100000210017 [0,2,0,0,0,0|2,0,0]=4 9890 B13R1.202 CC(=O)C(C)Sc1ccccc1O 62a_100000739446_100009814033 [0,2,0,0,0,0|2,0,0]=4 9891 B13R1.202 CC(=O)C(C)Sc1ccccc1O 62a_100009814033_100000739446 [0,2,0,0,0,0|2,0,0]=4 9892 B13R1.202 CC(=O)C(O)Cc1ccccc1Br 1458a_100012382637_200000210301 [0,2,0,0,0,0|2,0,0]=4 9893 B13R1.202 CC(=O)C(O)Cc1ccccc1Cl 1458a_100000703902_200000210301 [0,2,0,0,0,0|2,0,0]=4 9894 B13R1.202 CC(=O)N(C)Cc1ccccc1Br 11a_100000184654_100015343762 [0,2,0,0,0,0|2,0,0]=4 9895 B13R1.202 CC(=O)N(C)Cc1ccccc1Br 1626a_100000184654_100015343762 [0,2,0,0,0,0|2,0,0]=4 9896 B13R1.202 CC(=O)N(C)Cc1ccccc1Br 240690a_100000184654_100015343762 [0,2,0,0,0,0|2,0,0]=4 9897 B13R1.202 CC(=O)N(C)Cc1ccccc1Br 527a_100000184654_100103153847 [0,2,0,0,0,0|2,0,0]=4 9898 B13R1.202 CC(=O)N(C)Cc1ccccc1C 1626a_100000184421_100015343762 [0,2,0,0,0,0|2,0,0]=4 9899 B13R1.202 CC(=O)N(C)Cc1ccccc1C 240690a_100000184421_100015343762 [0,2,0,0,0,0|2,0,0]=4 9900 B13R1.202 CC(=O)N(C)Cc1ccccc1C 527a_100000184421_100103153847 [0,2,0,0,0,0|2,0,0]=4 9901 B13R1.202 CC(=O)N(C)Cc1ccccc1Cl 11a_100000184507_100015343762 [0,2,0,0,0,0|2,0,0]=4 9902 B13R1.202 CC(=O)N(C)Cc1ccccc1Cl 1626a_100000184507_100015343762 [0,2,0,0,0,0|2,0,0]=4 9903 B13R1.202 CC(=O)N(C)Cc1ccccc1Cl 240690a_100000184507_100015343762 [0,2,0,0,0,0|2,0,0]=4 9904 B13R1.202 CC(=O)N(C)Cc1ccccc1Cl 527a_100000184507_100103153847 [0,2,0,0,0,0|2,0,0]=4 9905 B13R1.202 CC(=O)N(C)Cc1ccccc1F 11a_100000742528_100015343762 [0,2,0,0,0,0|2,0,0]=4 9906 B13R1.202 CC(=O)N(C)Cc1ccccc1F 1626a_100000742528_100015343762 [0,2,0,0,0,0|2,0,0]=4 9907 B13R1.202 CC(=O)N(C)Cc1ccccc1F 240690a_100000742528_100015343762 [0,2,0,0,0,0|2,0,0]=4 9908 B13R1.202 CC(=O)N(C)Cc1ccccc1F 527a_100000742528_100103153847 [0,2,0,0,0,0|2,0,0]=4 9909 B13R1.202 CC(=O)N(C)Cc1ccccc1O 240690a_100015189988_100015343762 [0,2,0,0,0,0|2,0,0]=4 9910 B13R1.202 CC(=O)N(C)Cc1ccccc1O 527a_100015189988_100103153847 [0,2,0,0,0,0|2,0,0]=4 9911 B13R1.202 CC(C)N(C)Cc1ccccc1Br 2230a_100000184654_100000210206 [0,2,0,0,0,0|2,0,0]=4 9912 B13R1.202 CC(C)N(C)Cc1ccccc1Br 2230a_100000195800_200000210301 [0,2,0,0,0,0|2,0,0]=4 9913 B13R1.202 CC(C)N(C)Cc1ccccc1Br 269982a_100000184654_100000210206 [0,2,0,0,0,0|2,0,0]=4 9914 B13R1.202 CC(C)N(C)Cc1ccccc1Br 269982a_100000195800_200000210301 [0,2,0,0,0,0|2,0,0]=4 9915 B13R1.202 CC(C)N(C)Cc1ccccc1Br 269982a_200000211004_100000184730 [0,2,0,0,0,0|2,0,0]=4 9916 B13R1.202 CC(C)N(C)Cc1ccccc1Br 270004a_200000211004_100000211189 [0,2,0,0,0,0|2,0,0]=4 9917 B13R1.202 CC(C)N(C)Cc1ccccc1Cl 2230a_100000184507_100000210206 [0,2,0,0,0,0|2,0,0]=4 9918 B13R1.202 CC(C)N(C)Cc1ccccc1Cl 2230a_100015185289_200000210301 [0,2,0,0,0,0|2,0,0]=4 9919 B13R1.202 CC(C)N(C)Cc1ccccc1Cl 269982a_100000184507_100000210206 [0,2,0,0,0,0|2,0,0]=4 9920 B13R1.202 CC(C)N(C)Cc1ccccc1Cl 269982a_100015185289_200000210301 [0,2,0,0,0,0|2,0,0]=4 9921 B13R1.202 CC(C)N(C)Cc1ccccc1Cl 269982a_200000211004_100000187162 [0,2,0,0,0,0|2,0,0]=4 9922 B13R1.202 CC(C)N(C)Cc1ccccc1Cl 270004a_200000211004_100000210073 [0,2,0,0,0,0|2,0,0]=4 9923 B13R1.202 CC(C)N(C)Cc1ccccc1Cl 34a_100015185289_200000210301 [0,2,0,0,0,0|2,0,0]=4 9924 B13R1.202 CC(C)N(C)Cc1ccccc1F 2230a_100000195788_200000210301 [0,2,0,0,0,0|2,0,0]=4 9925 B13R1.202 CC(C)N(C)Cc1ccccc1F 2230a_100000742528_100000210206 [0,2,0,0,0,0|2,0,0]=4 9926 B13R1.202 CC(C)N(C)Cc1ccccc1F 269982a_100000195788_200000210301 [0,2,0,0,0,0|2,0,0]=4 9927 B13R1.202 CC(C)N(C)Cc1ccccc1F 269982a_100000742528_100000210206 [0,2,0,0,0,0|2,0,0]=4 9928 B13R1.202 CC(C)N(C)Cc1ccccc1F 269982a_200000211004_100000211605 [0,2,0,0,0,0|2,0,0]=4 9929 B13R1.202 CC(C)N(C)Cc1ccccc1F 270004a_200000211004_100000210811 [0,2,0,0,0,0|2,0,0]=4 9930 B13R1.202 CC(C)N(C)Cc1ccccc1F 34a_100000195788_200000210301 [0,2,0,0,0,0|2,0,0]=4 9931 B13R1.202 CC(C)N(C)Cc1ccccc1F 34a_100000742528_100000210206 [0,2,0,0,0,0|2,0,0]=4 9932 B13R1.202 CC(C)N(C)Cc1ccccc1I 269982a_200000211004_100011215278 [0,2,0,0,0,0|2,0,0]=4 9933 B13R1.202 CC(C)N(C)Cc1ccccc1I 270004a_200000211004_100000010305 [0,2,0,0,0,0|2,0,0]=4 9934 B13R1.202 CC(C)N(C)Cc1ccccc1O 2230a_100015189988_100000210206 [0,2,0,0,0,0|2,0,0]=4 9935 B13R1.202 CC(C)N(C)Cc1ccccc1O 269982a_100015189988_100000210206 [0,2,0,0,0,0|2,0,0]=4 9936 B13R1.202 CC(C)N([13CH3])Cc1ccccc1Br 2230a_100000195800_200025704644 [0,2,0,0,0,0|2,0,0]=4 9937 B13R1.202 CC(C)N([13CH3])Cc1ccccc1Br 269982a_100000195800_200025704644 [0,2,0,0,0,0|2,0,0]=4 9938 B13R1.202 CC(C)N([13CH3])Cc1ccccc1Cl 2230a_100015185289_200025704644 [0,2,0,0,0,0|2,0,0]=4 9939 B13R1.202 CC(C)N([13CH3])Cc1ccccc1Cl 269982a_100015185289_200025704644 [0,2,0,0,0,0|2,0,0]=4 9940 B13R1.202 CC(C)N([13CH3])Cc1ccccc1Cl 34a_100015185289_200025704644 [0,2,0,0,0,0|2,0,0]=4 9941 B13R1.202 CC(C)N([13CH3])Cc1ccccc1F 2230a_100000195788_200025704644 [0,2,0,0,0,0|2,0,0]=4 9942 B13R1.202 CC(C)N([13CH3])Cc1ccccc1F 269982a_100000195788_200025704644 [0,2,0,0,0,0|2,0,0]=4 9943 B13R1.202 CC(C)N([13CH3])Cc1ccccc1F 34a_100000195788_200025704644 [0,2,0,0,0,0|2,0,0]=4 9944 B13R1.202 CC(Cc1ccccc1Br)N(C)C 270004a_100102631434_100011350739 [0,2,0,0,0,0|0,0,0]=2 9945 B13R1.202 CC(Cc1ccccc1Cl)N(C)C 270004a_100102631434_100000758791 [0,2,0,0,0,0|0,0,0]=2 9946 B13R1.202 CC(Cc1ccccc1F)N(C)C 270004a_100102631434_100000709178 [0,2,0,0,0,0|0,0,0]=2 9947 B13R1.202 CC(Oc1ccccc1Br)C(=O)[13CH3] 1458a_100000246065_200025704644 [0,2,0,0,0,0|2,0,0]=4 9948 B13R1.202 CC(Oc1ccccc1Cl)C(=O)[13CH3] 1458a_100000191201_200025704644 [0,2,0,0,0,0|2,0,0]=4 9949 B13R1.202 CC(Oc1ccccc1F)C(=O)[13CH3] 1458a_100000191191_200025704644 [0,2,0,0,0,0|2,0,0]=4 9950 B13R1.202 CC(Sc1ccccc1Cl)C(=O)[13CH3] 1458a_100000181065_200025704644 [0,2,0,0,0,0|2,0,0]=4 9951 B13R1.202 CN(C)C(=O)Cc1ccccc1Br 11a_100102631434_100000751119 [0,2,0,0,0,0|1,0,1]=4 9952 B13R1.202 CN(C)C(=O)Cc1ccccc1Br 240690a_100102631434_100000751119 [0,2,0,0,0,0|1,0,1]=4 9953 B13R1.202 CN(C)C(=O)Cc1ccccc1Br 527a_100102631434_100000751119 [0,2,0,0,0,0|1,0,1]=4 9954 B13R1.202 CN(C)C(=O)Cc1ccccc1Cl 11a_100102631434_100000183793 [0,2,0,0,0,0|1,0,1]=4 9955 B13R1.202 CN(C)C(=O)Cc1ccccc1Cl 1626a_100102631434_100000183793 [0,2,0,0,0,0|1,0,1]=4 9956 B13R1.202 CN(C)C(=O)Cc1ccccc1Cl 240690a_100102631434_100000183793 [0,2,0,0,0,0|1,0,1]=4 9957 B13R1.202 CN(C)C(=O)Cc1ccccc1Cl 527a_100102631434_100000183793 [0,2,0,0,0,0|1,0,1]=4 9958 B13R1.202 CN(C)C(=O)Cc1ccccc1F 11a_100102631434_100000212012 [0,2,0,0,0,0|1,0,1]=4 9959 B13R1.202 CN(C)C(=O)Cc1ccccc1F 1626a_100102631434_100000212012 [0,2,0,0,0,0|1,0,1]=4 9960 B13R1.202 CN(C)C(=O)Cc1ccccc1F 240690a_100102631434_100000212012 [0,2,0,0,0,0|1,0,1]=4 9961 B13R1.202 CN(C)C(=O)Cc1ccccc1F 527a_100102631434_100000212012 [0,2,0,0,0,0|1,0,1]=4 9962 B13R1.202 CN(C)C(=O)Cc1ccccc1I 11a_100102631434_100000036491 [0,2,0,0,0,0|1,0,1]=4 9963 B13R1.202 CN(C)C(=O)Cc1ccccc1I 1626a_100102631434_100000036491 [0,2,0,0,0,0|1,0,1]=4 9964 B13R1.202 CN(C)C(=O)Cc1ccccc1I 240690a_100102631434_100000036491 [0,2,0,0,0,0|1,0,1]=4 9965 B13R1.202 CN(C)C(=O)Cc1ccccc1I 527a_100102631434_100000036491 [0,2,0,0,0,0|1,0,1]=4 9966 B13R1.202 CN(C)C(=O)Cc1ccccc1O 240690a_100102631434_100000743006 [0,2,0,0,0,0|1,0,1]=4 9967 B13R1.202 CN(C)C(=O)Cc1ccccc1O 271570a_203496583355_200009816159 [0,2,0,0,0,0|1,0,1]=4 9968 B13R1.202 CN(C)C(=O)Cc1ccccc1O 527a_100102631434_100000743006 [0,2,0,0,0,0|1,0,1]=4 9969 B13R1.202 Cc1ccccc1CC(=O)N(C)C 11a_100102631434_100000212180 [0,2,0,0,0,0|1,0,1]=4 9970 B13R1.202 Cc1ccccc1CC(=O)N(C)C 1626a_100102631434_100000212180 [0,2,0,0,0,0|1,0,1]=4 9971 B13R1.202 Cc1ccccc1CC(=O)N(C)C 240690a_100102631434_100000212180 [0,2,0,0,0,0|1,0,1]=4 9972 B13R1.202 Cc1ccccc1CC(=O)N(C)C 527a_100102631434_100000212180 [0,2,0,0,0,0|1,0,1]=4 9973 B13R1.202 Cc1ccccc1CC(C)N(C)C 270004a_100102631434_200000764500 [0,2,0,0,0,0|0,0,0]=2 9974 B13R1.202 Cc1ccccc1CN(C)C(C)C 2230a_100000184421_100000210206 [0,2,0,0,0,0|2,0,0]=4 9975 B13R1.202 Cc1ccccc1CN(C)C(C)C 2230a_100015184664_200000210301 [0,2,0,0,0,0|2,0,0]=4 9976 B13R1.202 Cc1ccccc1CN(C)C(C)C 269982a_100000184421_100000210206 [0,2,0,0,0,0|2,0,0]=4 9977 B13R1.202 Cc1ccccc1CN(C)C(C)C 269982a_100015184664_200000210301 [0,2,0,0,0,0|2,0,0]=4 9978 B13R1.202 Cc1ccccc1CN(C)C(C)C 269982a_200000211004_100000211839 [0,2,0,0,0,0|2,0,0]=4 9979 B13R1.202 Cc1ccccc1CN(C)C(C)C 270004a_200000211004_100000211143 [0,2,0,0,0,0|2,0,0]=4 9980 B13R1.202 Cc1ccccc1CN(C)C(C)C 34a_100015184664_200000210301 [0,2,0,0,0,0|2,0,0]=4 9981 B13R1.202 Cc1ccccc1CN([13CH3])C(C)C 2230a_100015184664_200025704644 [0,2,0,0,0,0|2,0,0]=4 9982 B13R1.202 Cc1ccccc1CN([13CH3])C(C)C 269982a_100015184664_200025704644 [0,2,0,0,0,0|2,0,0]=4 9983 B13R1.202 Cc1ccccc1CN([13CH3])C(C)C 34a_100015184664_200025704644 [0,2,0,0,0,0|2,0,0]=4 9984 B13R1.202 Cc1ccccc1OC(C)C(=O)[13CH3] 1458a_100000189243_200025704644 [0,2,0,0,0,0|2,0,0]=4 9985 B13R1.202 Cc1cccnc1CC(C)N(C)C 270004a_100102631434_100011823981 [0,2,0,0,0,0|1,0,0]=3 9986 B13R1.202 [13CH3]C(=O)C(O)Cc1ccccc1Br 1458a_100012382637_200025704644 [0,2,0,0,0,0|2,0,0]=4 9987 B13R1.202 [13CH3]C(=O)C(O)Cc1ccccc1Cl 1458a_100000703902_200025704644 [0,2,0,0,0,0|2,0,0]=4 9988 B13R1.353 CC(C)(C)N([13CH3])Cc1ccccc1 2230a_100000180882_200025704644 [0,2,0,0,0,0|2,0,0]=4 9989 B13R1.353 CC(C)(C)N([13CH3])Cc1ccccc1 269982a_100000180882_200025704644 [0,2,0,0,0,0|2,0,0]=4 9990 B13R1.353 CN(Cc1ccccc1)C(C)(C)C 2230a_100000180882_200000210301 [0,2,0,0,0,0|2,0,0]=4 9991 B13R1.353 CN(Cc1ccccc1)C(C)(C)C 269982a_100000180882_200000210301 [0,2,0,0,0,0|2,0,0]=4 9992 B13R1.353 CN(Cc1ccccc1)C(C)(C)C 269982a_100000186898_100000210625 [0,2,0,0,0,0|2,0,0]=4 9993 B13R1.353 CN(Cc1ccccc1)C(C)(C)C 269982a_100011215553_100000211182 [0,2,0,0,0,0|2,0,0]=4 9994 B13R1.353 CN(Cc1ccccc1)C(C)(C)C 270004a_100011215553_100015611070 [0,2,0,0,0,0|2,0,0]=4 9995 B13R1.353 CN(Cc1ccccc1)S(=O)(=O)C 40a_100000186898_100000738038 [0,2,0,0,0,0|2,0,0]=4 9996 B13R1.418 CC(=O)C(C#N)Cc1ccccc1 1458a_100000070787_100000183401 [0,2,0,0,0,0|1,0,1]=4 9997 B13R1.418 CC(=O)C(C#N)Cc1ccccc1 1458a_100000075392_200000210301 [0,2,0,0,0,0|1,0,1]=4 9998 B13R1.418 CC(C)N(CF)Cc1ccccc1 269982a_100000068392_100015361967 [0,2,0,0,0,0|2,0,0]=4 9999 B13R1.418 CCC(Cc1ccccc1)N(C)C 270004a_100102631434_100000212045 [0,2,0,0,0,0|0,0,0]=2 10000 B13R1.418 CCC(Oc1ccccc1)C(=O)C 1458a_100000211556_200000210301 [0,2,0,0,0,0|2,0,0]=4 10001 B13R1.418 CCC(Oc1ccccc1)C(=O)[13CH3] 1458a_100000211556_200025704644 [0,2,0,0,0,0|2,0,0]=4 10002 B13R1.418 CCC(Sc1ccccc1)C(=O)C 1458a_100000230495_200000210301 [0,2,0,0,0,0|2,0,0]=4 10003 B13R1.418 CCC(Sc1ccccc1)C(=O)[13CH3] 1458a_100000230495_200025704644 [0,2,0,0,0,0|2,0,0]=4 10004 B13R1.418 CCN(Cc1ccccc1)C(=O)C 11a_100000186914_100015343762 [0,2,0,0,0,0|2,0,0]=4 10005 B13R1.418 CCN(Cc1ccccc1)C(=O)C 1626a_100000186914_100015343762 [0,2,0,0,0,0|2,0,0]=4 10006 B13R1.418 CCN(Cc1ccccc1)C(=O)C 240690a_100000186914_100015343762 [0,2,0,0,0,0|2,0,0]=4 10007 B13R1.418 CCN(Cc1ccccc1)C(=O)C 527a_100000186914_100103153847 [0,2,0,0,0,0|2,0,0]=4 10008 B13R1.418 CCN(Cc1ccccc1)C(C)C 2230a_100000068392_100000210202 [0,2,0,0,0,0|2,0,0]=4 10009 B13R1.418 CCN(Cc1ccccc1)C(C)C 2230a_100000186914_100000210206 [0,2,0,0,0,0|2,0,0]=4 10010 B13R1.418 CCN(Cc1ccccc1)C(C)C 2230a_100000223864_100015291786 [0,2,0,0,0,0|2,0,0]=4 10011 B13R1.418 CCN(Cc1ccccc1)C(C)C 269982a_100000068392_100000204670 [0,2,0,0,0,0|2,0,0]=4 10012 B13R1.418 CCN(Cc1ccccc1)C(C)C 269982a_100000186914_100000210206 [0,2,0,0,0,0|2,0,0]=4 10013 B13R1.418 CCN(Cc1ccccc1)C(C)C 269982a_100000223864_100000211182 [0,2,0,0,0,0|2,0,0]=4 10014 B13R1.418 CCN(Cc1ccccc1)C(C)C 270004a_100000223864_100015611070 [0,2,0,0,0,0|2,0,0]=4 10015 B13R1.418 CN(C)[C@H](CO)Cc1ccccc1 2230a_100016995599_200000210301 [0,2,0,0,0,0|0,0,0]=2 10016 B13R1.418 CN(C)[C@H](CO)Cc1ccccc1 269982a_100016995599_200000210301 [0,2,0,0,0,0|0,0,0]=2 10017 B13R1.418 CN([13CH3])[C@H](CO)Cc1ccccc1 2230a_100016995599_200025704644 [0,2,0,0,0,0|0,0,0]=2 10018 B13R1.418 CN([13CH3])[C@H](CO)Cc1ccccc1 269982a_100016995599_200025704644 [0,2,0,0,0,0|0,0,0]=2 10019 B13R1.418 CNC(Cc1ccccc1)C(=O)N 2230a_100000745710_200000210301 [0,2,0,0,0,0|0,0,1]=3 10020 B13R1.418 CNC(Cc1ccccc1)C(=O)N 34a_100000745710_200000210301 [0,2,0,0,0,0|0,0,1]=3 10021 B13R1.418 CNC(Cc1ccccc1)C(C)C 270004a_106832991635_200000703227 [0,2,0,0,0,0|0,0,0]=2 10022 B13R1.418 [13CH3]C(=O)C(C#N)Cc1ccccc1 1458a_100000075392_200025704644 [0,2,0,0,0,0|1,0,1]=4 10023 B13R1.418 [13CH3]NC(Cc1ccccc1)C(=O)N 2230a_100000745710_200025704644 [0,2,0,0,0,0|0,0,1]=3 10024 B13R1.418 [13CH3]NC(Cc1ccccc1)C(=O)N 34a_100000745710_200025704644 [0,2,0,0,0,0|0,0,1]=3 10025 B13R1.1073 CC(=O)C(C)(C)Cc1ccccc1 1458a_100000757416_200000210301 [0,2,0,0,0,0|1,0,0]=3 10026 B13R1.1073 CC(=O)C(C)(C)Oc1ccccc1 1458a_100000743201_200000210301 [0,2,0,0,0,0|2,0,0]=4 10027 B13R1.1073 CC(=O)C(C)(C)Oc1ccccc1 7a_100000210340_100000075568 [0,2,0,0,0,0|2,0,0]=4 10028 B13R1.1073 CC(=O)C(C)(C)Sc1ccccc1 62a_100000075568_100000041952 [0,2,0,0,0,0|2,0,0]=4 10029 B13R1.1073 CC(=O)C(C)(C)Sc1ccccc1 62a_100000719477_100000075568 [0,2,0,0,0,0|2,0,0]=4 10030 B13R1.1073 CC(C)(Cc1ccccc1)C(=O)[13CH3] 1458a_100000757416_200025704644 [0,2,0,0,0,0|1,0,0]=3 10031 B13R1.1073 CC(C)(Oc1ccccc1)C(=O)[13CH3] 1458a_100000743201_200025704644 [0,2,0,0,0,0|2,0,0]=4 10032 B13R1.1073 CN(C)C(C)(C)Sc1ccccc1 62a_100000719477_217856628674 [0,2,0,0,0,0|1,0,0]=3 10033 B13R1.1073 CN(C)C(C)(C)Sc1ccccc1 62a_217856628674_100000041952 [0,2,0,0,0,0|1,0,0]=3 10034 B13R1.1073 CN(C)C(C)(C)Sc1ccccn1 62a_100011216584_217856628674 [0,2,0,0,0,0|2,0,0]=4 10035 B13R1.1073 CN(C)C(C)(C)Sc1ccccn1 62a_217856628674_100011216584 [0,2,0,0,0,0|2,0,0]=4 10036 B13R1.1073 CN(C)C(C)(C)Sc1cccnc1 62a_100000210063_217856628674 [0,2,0,0,0,0|2,0,0]=4 10037 B13R1.1073 CN(C)C(C)(C)Sc1cccnc1 62a_217856628674_100000210063 [0,2,0,0,0,0|2,0,0]=4 10038 B13R1.1073 CN(C)C(C)(C)Sc1ccncc1 62a_100000728582_217856628674 [0,2,0,0,0,0|2,0,0]=4 10039 B13R1.1073 CN(C)C(C)(C)Sc1ccncc1 62a_217856628674_100000728582 [0,2,0,0,0,0|2,0,0]=4 10040 B13R1.1073 CN(C)C(F)(F)Oc1ccccc1 269982a_100102631434_200000057402 [0,2,0,0,0,0|2,0,0]=4 10041 B13R1.1073 CN(C)S(=O)(=O)Cc1ccccc1 270084a_100102631434_100000211737 [0,2,0,0,0,0|2,0,0]=4 10042 B13R1.1073 CN(C)S(=O)(=O)Cc1ccccc1 274078a_100102631434_100000211737 [0,2,0,0,0,0|2,0,0]=4 10043 B13R1.1073 CN(C)S(=O)(=O)Cc1ccccc1 40a_100102631434_100000235865 [0,2,0,0,0,0|2,0,0]=4 10044 B13R1.5 C#Cc1ccc(cc1)CC(=O)NC 11a_106832991635_200009884166 [0,2,0,0,0,0|1,0,1]=4 10045 B13R1.5 C#Cc1ccc(cc1)CC(=O)NC 1626a_100102657272_200009884166 [0,2,0,0,0,0|1,0,1]=4 10046 B13R1.5 C#Cc1ccc(cc1)CC(=O)NC 240690a_100102657272_200009884166 [0,2,0,0,0,0|1,0,1]=4 10047 B13R1.5 C#Cc1ccc(cc1)CC(=O)NC 527a_100102657272_200009884166 [0,2,0,0,0,0|1,0,1]=4 10048 B13R1.5 C#Cc1ccc(cc1)CN(C)CC 2230a_100000225621_100000140223 [0,2,0,0,0,0|2,0,0]=4 10049 B13R1.5 C#Cc1ccc(cc1)CN(C)CC 269982a_100000225621_100000140223 [0,2,0,0,0,0|2,0,0]=4 10050 B13R1.5 C#Cc1ccc(cc1)NC(C)CC 34a_100011215031_100011215416 [0,2,0,0,0,0|2,0,0]=4 10051 B13R1.5 C=Cc1ccc(cc1)CC(=O)NC 271570a_100011290941_100000155101 [0,2,0,0,0,0|1,0,1]=4 10052 B13R1.5 C=Cc1ccc(cc1)CN(C)CC 2230a_100000225621_100000034074 [0,2,0,0,0,0|2,0,0]=4 10053 B13R1.5 C=Cc1ccc(cc1)CN(C)CC 269982a_100000225621_100000034074 [0,2,0,0,0,0|2,0,0]=4 10054 B13R1.5 C=Cc1ccc(cc1)CN(C)CC 26a_100000225621_100000189437 [0,2,0,0,0,0|2,0,0]=4 10055 B13R1.5 C=Cc1ccc(cc1)NC(C)CC 34a_100011218248_100011215416 [0,2,0,0,0,0|2,0,0]=4 10056 B13R1.5 C=Cc1ccc(cc1)OC(C)CC 34a_100000189437_100011215416 [0,2,0,0,0,0|2,0,0]=4 10057 B13R1.5 C=Cc1ccc(cc1)OC(C)CC 7a_100000189437_100000758301 [0,2,0,0,0,0|2,0,0]=4 10058 B13R1.5 C=Cc1ccc(cc1)SC(C)CC 62a_100000748128_100000758301 [0,2,0,0,0,0|2,0,0]=4 10059 B13R1.5 C=Cc1ccc(cc1)SC(C)CC 62a_100000758301_100000748128 [0,2,0,0,0,0|2,0,0]=4 10060 B13R1.5 C=Cc1ccc(cc1)SC(C)OC 62a_100000748128_100009879195 [0,2,0,0,0,0|2,0,0]=4 10061 B13R1.5 C=Cc1ccc(cc1)SC(C)OC 62a_100009879195_100000748128 [0,2,0,0,0,0|2,0,0]=4 10062 B13R1.5 CCC(C)Nc1ccc(cc1)C#N 34a_100000185469_100011215416 [0,2,0,0,0,0|2,0,0]=4 10063 B13R1.5 CCC(C)Nc1ccc(cc1)CO 2230a_100011215238_100000758301 [0,2,0,0,0,0|2,0,0]=4 10064 B13R1.5 CCC(C)Nc1ccc(cc1)CO 34a_100011215238_100011215416 [0,2,0,0,0,0|2,0,0]=4 10065 B13R1.5 CCC(C)Nc1ccc(cc1)OC 34a_100000184247_100011215416 [0,2,0,0,0,0|2,0,0]=4 10066 B13R1.5 CCC(C)Nc1ccc(cc1)SC 34a_100000212337_100011215416 [0,2,0,0,0,0|2,0,0]=4 10067 B13R1.5 CCC(C)Oc1ccc(cc1)C#N 34a_100000210344_100011215416 [0,2,0,0,0,0|2,0,0]=4 10068 B13R1.5 CCC(C)Oc1ccc(cc1)C#N 7a_100000210344_100000758301 [0,2,0,0,0,0|2,0,0]=4 10069 B13R1.5 CCC(C)Oc1ccc(cc1)CN 34a_100000185549_100011215416 [0,2,0,0,0,0|2,0,0]=4 10070 B13R1.5 CCC(C)Oc1ccc(cc1)CO 34a_100000211755_100011215416 [0,2,0,0,0,0|2,0,0]=4 10071 B13R1.5 CCC(C)Oc1ccc(cc1)NC 34a_100000182112_100011215416 [0,2,0,0,0,0|2,0,0]=4 10072 B13R1.5 CCC(C)Oc1ccc(cc1)NC 34a_100000743956_200000210301 [0,2,0,0,0,0|2,0,0]=4 10073 B13R1.5 CCC(C)Oc1ccc(cc1)NC 7a_100000743956_200000210301 [0,2,0,0,0,0|2,0,0]=4 10074 B13R1.5 CCC(C)Oc1ccc(cc1)N[13CH3] 34a_100000743956_200025704644 [0,2,0,0,0,0|2,0,0]=4 10075 B13R1.5 CCC(C)Oc1ccc(cc1)N[13CH3] 7a_100000743956_200025704644 [0,2,0,0,0,0|2,0,0]=4 10076 B13R1.5 CCC(C)Oc1ccc(cc1)OC 34a_100000210503_100011215416 [0,2,0,0,0,0|2,0,0]=4 10077 B13R1.5 CCC(C)Oc1ccc(cc1)SC 34a_100000211864_100011215416 [0,2,0,0,0,0|2,0,0]=4 10078 B13R1.5 CCC(C)Sc1ccc(cc1)C#N 62a_100000758301_100000184291 [0,2,0,0,0,0|2,0,0]=4 10079 B13R1.5 CCC(C)Sc1ccc(cc1)C=O 62a_100000188517_100000758301 [0,2,0,0,0,0|2,0,0]=4 10080 B13R1.5 CCC(C)Sc1ccc(cc1)C=O 62a_100000758301_100000188517 [0,2,0,0,0,0|2,0,0]=4 10081 B13R1.5 CCC(C)Sc1ccc(cc1)CF 62a_100000758301_100010268989 [0,2,0,0,0,0|2,0,0]=4 10082 B13R1.5 CCC(C)Sc1ccc(cc1)CF 62a_100010268989_100000758301 [0,2,0,0,0,0|2,0,0]=4 10083 B13R1.5 CCC(C)Sc1ccc(cc1)CN 62a_100000758301_100016989417 [0,2,0,0,0,0|2,0,0]=4 10084 B13R1.5 CCC(C)Sc1ccc(cc1)CN 62a_100016989417_100000758301 [0,2,0,0,0,0|2,0,0]=4 10085 B13R1.5 CCC(C)Sc1ccc(cc1)CO 62a_100000690907_100000758301 [0,2,0,0,0,0|2,0,0]=4 10086 B13R1.5 CCC(C)Sc1ccc(cc1)CO 62a_100000758301_100000690907 [0,2,0,0,0,0|2,0,0]=4 10087 B13R1.5 CCC(C)Sc1ccc(cc1)NC 62a_100000743151_100000758301 [0,2,0,0,0,0|2,0,0]=4 10088 B13R1.5 CCC(C)Sc1ccc(cc1)NC 62a_100000758301_100000743151 [0,2,0,0,0,0|2,0,0]=4 10089 B13R1.5 CCC(C)Sc1ccc(cc1)NN 62a_100000758301_100016988836 [0,2,0,0,0,0|2,0,0]=4 10090 B13R1.5 CCC(C)Sc1ccc(cc1)NN 62a_100016988836_100000758301 [0,2,0,0,0,0|2,0,0]=4 10091 B13R1.5 CCC(C)Sc1ccc(cc1)OC 62a_100000758301_100000171711 [0,2,0,0,0,0|2,0,0]=4 10092 B13R1.5 CCC(C)Sc1ccc(cc1)SC 62a_100000758301_100011263217 [0,2,0,0,0,0|2,0,0]=4 10093 B13R1.5 CCC(C)Sc1ccc(cc1)SC 62a_100011263217_100000758301 [0,2,0,0,0,0|2,0,0]=4 10094 B13R1.5 CCN(C)Cc1ccc(cc1)C#N 2230a_100000217971_100000210202 [0,2,0,0,0,0|2,0,0]=4 10095 B13R1.5 CCN(C)Cc1ccc(cc1)C#N 2230a_100000225621_100000184898 [0,2,0,0,0,0|2,0,0]=4 10096 B13R1.5 CCN(C)Cc1ccc(cc1)C#N 269982a_100000217971_100000204670 [0,2,0,0,0,0|2,0,0]=4 10097 B13R1.5 CCN(C)Cc1ccc(cc1)C#N 269982a_100000225621_100000184898 [0,2,0,0,0,0|2,0,0]=4 10098 B13R1.5 CCN(C)Cc1ccc(cc1)C#N 26a_100000225621_100000210344 [0,2,0,0,0,0|2,0,0]=4 10099 B13R1.5 CCN(C)Cc1ccc(cc1)C#N 34a_100000217971_100000210202 [0,2,0,0,0,0|2,0,0]=4 10100 B13R1.5 CCN(C)Cc1ccc(cc1)C=O 2230a_100000225621_100009816848 [0,2,0,0,0,0|2,0,0]=4 10101 B13R1.5 CCN(C)Cc1ccc(cc1)C=O 269982a_100000225621_100009816848 [0,2,0,0,0,0|2,0,0]=4 10102 B13R1.5 CCN(C)Cc1ccc(cc1)CO 2230a_100000225621_100000067286 [0,2,0,0,0,0|2,0,0]=4 10103 B13R1.5 CCN(C)Cc1ccc(cc1)CO 269982a_100000225621_100000067286 [0,2,0,0,0,0|2,0,0]=4 10104 B13R1.5 CCN(C)Cc1ccc(cc1)CO 26a_100000225621_100000211755 [0,2,0,0,0,0|2,0,0]=4 10105 B13R1.5 CCN(C)Cc1ccc(cc1)OC 2230a_100000184145_100000210202 [0,2,0,0,0,0|2,0,0]=4 10106 B13R1.5 CCN(C)Cc1ccc(cc1)OC 2230a_100000225621_100000742318 [0,2,0,0,0,0|2,0,0]=4 10107 B13R1.5 CCN(C)Cc1ccc(cc1)OC 2230a_100000741509_200000210301 [0,2,0,0,0,0|2,0,0]=4 10108 B13R1.5 CCN(C)Cc1ccc(cc1)OC 269982a_100000184145_100000204670 [0,2,0,0,0,0|2,0,0]=4 10109 B13R1.5 CCN(C)Cc1ccc(cc1)OC 269982a_100000225621_100000742318 [0,2,0,0,0,0|2,0,0]=4 10110 B13R1.5 CCN(C)Cc1ccc(cc1)OC 269982a_100000741509_200000210301 [0,2,0,0,0,0|2,0,0]=4 10111 B13R1.5 CCN(C)Cc1ccc(cc1)OC 26a_100000225621_100000210503 [0,2,0,0,0,0|2,0,0]=4 10112 B13R1.5 CCN(C)Cc1ccc(cc1)SC 2230a_100000225621_100000181263 [0,2,0,0,0,0|2,0,0]=4 10113 B13R1.5 CCN(C)Cc1ccc(cc1)SC 2230a_100015183344_200000210301 [0,2,0,0,0,0|2,0,0]=4 10114 B13R1.5 CCN(C)Cc1ccc(cc1)SC 2230a_102495365258_100000210202 [0,2,0,0,0,0|2,0,0]=4 10115 B13R1.5 CCN(C)Cc1ccc(cc1)SC 269982a_100000225621_100011934452 [0,2,0,0,0,0|2,0,0]=4 10116 B13R1.5 CCN(C)Cc1ccc(cc1)SC 269982a_100015183344_200000210301 [0,2,0,0,0,0|2,0,0]=4 10117 B13R1.5 CCN(C)Cc1ccc(cc1)SC 269982a_102495365258_100000204670 [0,2,0,0,0,0|2,0,0]=4 10118 B13R1.5 CCN(C)Cc1ccc(cc1)SC 26a_100000225621_100000211864 [0,2,0,0,0,0|2,0,0]=4 10119 B13R1.5 CCN([13CH3])Cc1ccc(cc1)OC 2230a_100000741509_200025704644 [0,2,0,0,0,0|2,0,0]=4 10120 B13R1.5 CCN([13CH3])Cc1ccc(cc1)OC 269982a_100000741509_200025704644 [0,2,0,0,0,0|2,0,0]=4 10121 B13R1.5 CCN([13CH3])Cc1ccc(cc1)SC 2230a_100015183344_200025704644 [0,2,0,0,0,0|2,0,0]=4 10122 B13R1.5 CCN([13CH3])Cc1ccc(cc1)SC 269982a_100015183344_200025704644 [0,2,0,0,0,0|2,0,0]=4 10123 B13R1.5 CCc1ccc(cc1)CC(=O)NC 11a_106832991635_200000759805 [0,2,0,0,0,0|1,0,1]=4 10124 B13R1.5 CCc1ccc(cc1)CC(=O)NC 1626a_100102657272_200000759805 [0,2,0,0,0,0|1,0,1]=4 10125 B13R1.5 CCc1ccc(cc1)CC(=O)NC 240690a_100102657272_200000759805 [0,2,0,0,0,0|1,0,1]=4 10126 B13R1.5 CCc1ccc(cc1)CC(=O)NC 527a_100102657272_200000759805 [0,2,0,0,0,0|1,0,1]=4 10127 B13R1.5 CCc1ccc(cc1)CN(C)CC 2230a_100000225621_100000747183 [0,2,0,0,0,0|2,0,0]=4 10128 B13R1.5 CCc1ccc(cc1)CN(C)CC 2230a_100000683253_100000210202 [0,2,0,0,0,0|2,0,0]=4 10129 B13R1.5 CCc1ccc(cc1)CN(C)CC 2230a_100015187470_200000210301 [0,2,0,0,0,0|2,0,0]=4 10130 B13R1.5 CCc1ccc(cc1)CN(C)CC 269982a_100000225621_100000747183 [0,2,0,0,0,0|2,0,0]=4 10131 B13R1.5 CCc1ccc(cc1)CN(C)CC 269982a_100000683253_100000204670 [0,2,0,0,0,0|2,0,0]=4 10132 B13R1.5 CCc1ccc(cc1)CN(C)CC 269982a_100015187470_200000210301 [0,2,0,0,0,0|2,0,0]=4 10133 B13R1.5 CCc1ccc(cc1)CN(C)CC 26a_100000225621_100000211359 [0,2,0,0,0,0|2,0,0]=4 10134 B13R1.5 CCc1ccc(cc1)CN([13CH3])CC 2230a_100015187470_200025704644 [0,2,0,0,0,0|2,0,0]=4 10135 B13R1.5 CCc1ccc(cc1)CN([13CH3])CC 269982a_100015187470_200025704644 [0,2,0,0,0,0|2,0,0]=4 10136 B13R1.5 CCc1ccc(cc1)NC(C)CC 2230a_100000211069_100000758301 [0,2,0,0,0,0|2,0,0]=4 10137 B13R1.5 CCc1ccc(cc1)NC(C)CC 34a_100000211069_100011215416 [0,2,0,0,0,0|2,0,0]=4 10138 B13R1.5 CCc1ccc(cc1)OC(C)CC 34a_100000211359_100011215416 [0,2,0,0,0,0|2,0,0]=4 10139 B13R1.5 CCc1ccc(cc1)OC(C)CC 7a_100000211359_100000758301 [0,2,0,0,0,0|2,0,0]=4 10140 B13R1.5 CCc1ccc(cc1)SC(C)CC 62a_100000758301_100011215824 [0,2,0,0,0,0|2,0,0]=4 10141 B13R1.5 CCc1ccc(cc1)SC(C)CC 62a_100011215824_100000758301 [0,2,0,0,0,0|2,0,0]=4 10142 B13R1.5 CCc1ccc(cc1)SC(C)OC 62a_100009879195_100011215824 [0,2,0,0,0,0|2,0,0]=4 10143 B13R1.5 CCc1ccc(cc1)SC(C)OC 62a_100011215824_100009879195 [0,2,0,0,0,0|2,0,0]=4 10144 B13R1.5 CNC(=O)Cc1ccc(cc1)C#N 11a_106832991635_100000748677 [0,2,0,0,0,0|1,0,1]=4 10145 B13R1.5 CNC(=O)Cc1ccc(cc1)C#N 1626a_100102657272_100000748677 [0,2,0,0,0,0|1,0,1]=4 10146 B13R1.5 CNC(=O)Cc1ccc(cc1)C#N 240690a_100102657272_100000748677 [0,2,0,0,0,0|1,0,1]=4 10147 B13R1.5 CNC(=O)Cc1ccc(cc1)C#N 527a_100102657272_100000748677 [0,2,0,0,0,0|1,0,1]=4 10148 B13R1.5 CNC(=O)Cc1ccc(cc1)CO 240690a_100102657272_100011356463 [0,2,0,0,0,0|1,0,1]=4 10149 B13R1.5 CNC(=O)Cc1ccc(cc1)NC 2230a_100000736799_200000210301 [0,2,0,0,0,0|1,0,1]=4 10150 B13R1.5 CNC(=O)Cc1ccc(cc1)NC 34a_100000736799_200000210301 [0,2,0,0,0,0|1,0,1]=4 10151 B13R1.5 CNC(=O)Cc1ccc(cc1)N[13CH3] 2230a_100000736799_200025704644 [0,2,0,0,0,0|1,0,1]=4 10152 B13R1.5 CNC(=O)Cc1ccc(cc1)N[13CH3] 34a_100000736799_200025704644 [0,2,0,0,0,0|1,0,1]=4 10153 B13R1.5 CNC(=O)Cc1ccc(cc1)OC 11a_106832991635_100000210706 [0,2,0,0,0,0|1,0,1]=4 10154 B13R1.5 CNC(=O)Cc1ccc(cc1)OC 240690a_100102657272_100000210706 [0,2,0,0,0,0|1,0,1]=4 10155 B13R1.5 CNC(=O)Cc1ccc(cc1)OC 34a_200000020795_200000210301 [0,2,0,0,0,0|1,0,1]=4 10156 B13R1.5 CNC(=O)Cc1ccc(cc1)OC 527a_100102657272_100000210706 [0,2,0,0,0,0|1,0,1]=4 10157 B13R1.5 CNC(=O)Cc1ccc(cc1)O[13CH3] 34a_200000020795_200025704644 [0,2,0,0,0,0|1,0,1]=4 10158 B13R1.5 CNC(=O)Cc1ccc(cc1)SC 11a_106832991635_100000756958 [0,2,0,0,0,0|1,0,1]=4 10159 B13R1.5 CNC(=O)Cc1ccc(cc1)SC 1626a_100102657272_100000756958 [0,2,0,0,0,0|1,0,1]=4 10160 B13R1.5 CNC(=O)Cc1ccc(cc1)SC 240690a_100102657272_100000756958 [0,2,0,0,0,0|1,0,1]=4 10161 B13R1.5 CNC(=O)Cc1ccc(cc1)SC 527a_100102657272_100000756958 [0,2,0,0,0,0|1,0,1]=4 10162 B13R1.5 CNC(=O)Cc1ccc(cc1)SC 62a_100000155101_200000210301 [0,2,0,0,0,0|1,0,1]=4 10163 B13R1.5 CNC(=O)Cc1ccc(cc1)SC 62a_200000210301_100000155101 [0,2,0,0,0,0|1,0,1]=4 10164 B13R1.5 CNC(=O)Cc1ccc(cc1)S[13CH3] 62a_100000155101_200025704644 [0,2,0,0,0,0|1,0,1]=4 10165 B13R1.5 CNC(=O)Cc1ccc(cc1)S[13CH3] 62a_200025704644_100000155101 [0,2,0,0,0,0|1,0,1]=4 10166 B13R1.5 CNC(C)Cc1ccc(cc1)C#N 270004a_106832991635_200011996569 [0,2,0,0,0,0|0,0,0]=2 10167 B13R1.5 CNC(C)Cc1ccc(cc1)OC 270004a_106832991635_100000211147 [0,2,0,0,0,0|0,0,0]=2 10168 B13R1.5 CNc1ccc(cc1)SC(C)OC 62a_100000743151_100009879195 [0,2,0,0,0,0|2,0,0]=4 10169 B13R1.5 CNc1ccc(cc1)SC(C)OC 62a_100009879195_100000743151 [0,2,0,0,0,0|2,0,0]=4 10170 B13R1.5 COC(C)Sc1ccc(cc1)C#N 62a_100009879195_100000184291 [0,2,0,0,0,0|2,0,0]=4 10171 B13R1.5 COC(C)Sc1ccc(cc1)C=O 62a_100000188517_100009879195 [0,2,0,0,0,0|2,0,0]=4 10172 B13R1.5 COC(C)Sc1ccc(cc1)C=O 62a_100009879195_100000188517 [0,2,0,0,0,0|2,0,0]=4 10173 B13R1.5 COC(C)Sc1ccc(cc1)CF 62a_100009879195_100010268989 [0,2,0,0,0,0|2,0,0]=4 10174 B13R1.5 COC(C)Sc1ccc(cc1)CF 62a_100010268989_100009879195 [0,2,0,0,0,0|2,0,0]=4 10175 B13R1.5 COC(C)Sc1ccc(cc1)CN 62a_100009879195_100016989417 [0,2,0,0,0,0|2,0,0]=4 10176 B13R1.5 COC(C)Sc1ccc(cc1)CN 62a_100016989417_100009879195 [0,2,0,0,0,0|2,0,0]=4 10177 B13R1.5 COC(C)Sc1ccc(cc1)CO 62a_100000690907_100009879195 [0,2,0,0,0,0|2,0,0]=4 10178 B13R1.5 COC(C)Sc1ccc(cc1)CO 62a_100009879195_100000690907 [0,2,0,0,0,0|2,0,0]=4 10179 B13R1.5 COC(C)Sc1ccc(cc1)NN 62a_100009879195_100016988836 [0,2,0,0,0,0|2,0,0]=4 10180 B13R1.5 COC(C)Sc1ccc(cc1)NN 62a_100016988836_100009879195 [0,2,0,0,0,0|2,0,0]=4 10181 B13R1.5 COC(C)Sc1ccc(cc1)SC 62a_100009879195_100011263217 [0,2,0,0,0,0|2,0,0]=4 10182 B13R1.5 COC(C)Sc1ccc(cc1)SC 62a_100011263217_100009879195 [0,2,0,0,0,0|2,0,0]=4 10183 B13R1.5 COc1ccc(cc1)SC(C)OC 62a_100009879195_100000171711 [0,2,0,0,0,0|2,0,0]=4 10184 B13R1.145 CCC(CC)Oc1ccc(cc1)Br 7a_100000185759_100000210505 [0,2,0,0,0,0|2,0,0]=4 10185 B13R1.145 CCC(CC)Oc1ccc(cc1)C 7a_100000210336_100000210505 [0,2,0,0,0,0|2,0,0]=4 10186 B13R1.145 CCC(CC)Oc1ccc(cc1)Cl 7a_100000210216_100000210505 [0,2,0,0,0,0|2,0,0]=4 10187 B13R1.145 CCC(CC)Oc1ccc(cc1)I 7a_100000212066_100000210505 [0,2,0,0,0,0|2,0,0]=4 10188 B13R1.145 CCC(CC)Sc1ccc(cc1)Br 62a_100000210505_100000752885 [0,2,0,0,0,0|2,0,0]=4 10189 B13R1.145 CCC(CC)Sc1ccc(cc1)Br 62a_100000752885_100000210505 [0,2,0,0,0,0|2,0,0]=4 10190 B13R1.145 CCC(CC)Sc1ccc(cc1)C 62a_100000186775_100000210505 [0,2,0,0,0,0|2,0,0]=4 10191 B13R1.145 CCC(CC)Sc1ccc(cc1)C 62a_100000210505_100000186775 [0,2,0,0,0,0|2,0,0]=4 10192 B13R1.145 CCC(CC)Sc1ccc(cc1)Cl 62a_100000210505_100000755918 [0,2,0,0,0,0|2,0,0]=4 10193 B13R1.145 CCC(CC)Sc1ccc(cc1)Cl 62a_100000755918_100000210505 [0,2,0,0,0,0|2,0,0]=4 10194 B13R1.145 CCC(CC)Sc1ccc(cc1)F 62a_100000210505_100000211213 [0,2,0,0,0,0|2,0,0]=4 10195 B13R1.145 CCC(CC)Sc1ccc(cc1)F 62a_100000211213_100000210505 [0,2,0,0,0,0|2,0,0]=4 10196 B13R1.145 CCC(CC)Sc1ccc(cc1)N 62a_100000185761_100000210505 [0,2,0,0,0,0|2,0,0]=4 10197 B13R1.145 CCC(CC)Sc1ccc(cc1)N 62a_100000210505_100000185761 [0,2,0,0,0,0|2,0,0]=4 10198 B13R1.145 CCC(CC)Sc1ccc(cc1)O 62a_100000210505_100000185759 [0,2,0,0,0,0|2,0,0]=4 10199 B13R1.145 CCN(CC)Cc1ccc(cc1)Br 2230a_100000187385_100000210202 [0,2,0,0,0,0|2,0,0]=4 10200 B13R1.145 CCN(CC)Cc1ccc(cc1)Br 2230a_100000724800_100011217064 [0,2,0,0,0,0|2,0,0]=4 10201 B13R1.145 CCN(CC)Cc1ccc(cc1)Br 269956a_100000042499_100011217064 [0,2,0,0,0,0|2,0,0]=4 10202 B13R1.145 CCN(CC)Cc1ccc(cc1)Br 269982a_100000187385_100000204670 [0,2,0,0,0,0|2,0,0]=4 10203 B13R1.145 CCN(CC)Cc1ccc(cc1)Br 269982a_100000724800_100011217064 [0,2,0,0,0,0|2,0,0]=4 10204 B13R1.145 CCN(CC)Cc1ccc(cc1)Br 270004a_100000724800_100000186029 [0,2,0,0,0,0|2,0,0]=4 10205 B13R1.145 CCN(CC)Cc1ccc(cc1)C 2230a_100000180869_100000210202 [0,2,0,0,0,0|2,0,0]=4 10206 B13R1.145 CCN(CC)Cc1ccc(cc1)C 2230a_100000724800_100000210814 [0,2,0,0,0,0|2,0,0]=4 10207 B13R1.145 CCN(CC)Cc1ccc(cc1)C 269956a_100000042499_100000210814 [0,2,0,0,0,0|2,0,0]=4 10208 B13R1.145 CCN(CC)Cc1ccc(cc1)C 269982a_100000180869_100000204670 [0,2,0,0,0,0|2,0,0]=4 10209 B13R1.145 CCN(CC)Cc1ccc(cc1)C 269982a_100000724800_100000210814 [0,2,0,0,0,0|2,0,0]=4 10210 B13R1.145 CCN(CC)Cc1ccc(cc1)C 270004a_100000724800_100000211033 [0,2,0,0,0,0|2,0,0]=4 10211 B13R1.145 CCN(CC)Cc1ccc(cc1)Cl 2230a_100000180830_100000210202 [0,2,0,0,0,0|2,0,0]=4 10212 B13R1.145 CCN(CC)Cc1ccc(cc1)Cl 2230a_100000724800_100000694040 [0,2,0,0,0,0|2,0,0]=4 10213 B13R1.145 CCN(CC)Cc1ccc(cc1)Cl 269956a_100000042499_100000187161 [0,2,0,0,0,0|2,0,0]=4 10214 B13R1.145 CCN(CC)Cc1ccc(cc1)Cl 269982a_100000180830_100000204670 [0,2,0,0,0,0|2,0,0]=4 10215 B13R1.145 CCN(CC)Cc1ccc(cc1)Cl 269982a_100000724800_100000187161 [0,2,0,0,0,0|2,0,0]=4 10216 B13R1.145 CCN(CC)Cc1ccc(cc1)Cl 270004a_100000724800_100000189385 [0,2,0,0,0,0|2,0,0]=4 10217 B13R1.145 CCN(CC)Cc1ccc(cc1)F 2230a_100000724800_100000198546 [0,2,0,0,0,0|2,0,0]=4 10218 B13R1.145 CCN(CC)Cc1ccc(cc1)F 2230a_100015183324_100000210202 [0,2,0,0,0,0|2,0,0]=4 10219 B13R1.145 CCN(CC)Cc1ccc(cc1)F 269956a_100000042499_100000198546 [0,2,0,0,0,0|2,0,0]=4 10220 B13R1.145 CCN(CC)Cc1ccc(cc1)F 269982a_100000724800_100000198546 [0,2,0,0,0,0|2,0,0]=4 10221 B13R1.145 CCN(CC)Cc1ccc(cc1)F 269982a_100015183324_100000204670 [0,2,0,0,0,0|2,0,0]=4 10222 B13R1.145 CCN(CC)Cc1ccc(cc1)F 270004a_100000724800_100000210084 [0,2,0,0,0,0|2,0,0]=4 10223 B13R1.145 CCN(CC)Cc1ccc(cc1)F 34a_100015183324_100000210202 [0,2,0,0,0,0|2,0,0]=4 10224 B13R1.145 CCN(CC)Cc1ccc(cc1)I 2230a_100000724800_100000189116 [0,2,0,0,0,0|2,0,0]=4 10225 B13R1.145 CCN(CC)Cc1ccc(cc1)I 269956a_100000042499_100000189116 [0,2,0,0,0,0|2,0,0]=4 10226 B13R1.145 CCN(CC)Cc1ccc(cc1)I 269982a_100000724800_100000189116 [0,2,0,0,0,0|2,0,0]=4 10227 B13R1.145 CCN(CC)Cc1ccc(cc1)O 269982a_100000748449_100000204670 [0,2,0,0,0,0|2,0,0]=4 10228 B13R1.145 CCN(CC)Cc1ccc(cc1)O 271570a_203496583355_200011356839 [0,2,0,0,0,0|2,0,0]=4 10229 B13R1.145 CCN(CF)Cc1ccc(cc1)Br 269982a_100000187385_100015361967 [0,2,0,0,0,0|2,0,0]=4 10230 B13R1.145 CCN(CF)Cc1ccc(cc1)C 269982a_100000180869_100015361967 [0,2,0,0,0,0|2,0,0]=4 10231 B13R1.145 CCN(CF)Cc1ccc(cc1)Cl 269982a_100000180830_100015361967 [0,2,0,0,0,0|2,0,0]=4 10232 B13R1.145 CCN(CF)Cc1ccc(cc1)F 269982a_100015183324_100015361967 [0,2,0,0,0,0|2,0,0]=4 10233 B13R1.145 CCN(CF)Cc1ccc(cc1)F 34a_100015183324_100015361967 [0,2,0,0,0,0|2,0,0]=4 10234 B13R1.145 CCN(CF)Cc1ccc(cc1)O 269982a_100000748449_100015361967 [0,2,0,0,0,0|2,0,0]=4 10235 B13R1.145 CNC(C#N)Cc1ccc(cc1)C 34a_100102657272_100000697087 [0,2,0,0,0,0|0,0,1]=3 10236 B13R1.145 CNC(C#N)Cc1ccc(cc1)C 7a_106832991635_100000697087 [0,2,0,0,0,0|0,0,1]=3 10237 B13R1.145 CNC(CO)Cc1ccc(cc1)Cl 2230a_100025702442_200000210301 [0,2,0,0,0,0|0,0,0]=2 10238 B13R1.145 CNC(CO)Cc1ccc(cc1)Cl 34a_100025702442_200000210301 [0,2,0,0,0,0|0,0,0]=2 10239 B13R1.145 CN[C@@H](CO)Cc1ccc(cc1)O 2230a_100020629837_200000210301 [0,2,0,0,0,0|0,0,0]=2 10240 B13R1.145 CN[C@@H](CO)Cc1ccc(cc1)O 34a_100020629837_200000210301 [0,2,0,0,0,0|0,0,0]=2 10241 B13R1.145 COC(C#N)Cc1ccc(cc1)C 34a_100138415774_100000697087 [0,2,0,0,0,0|1,0,1]=4 10242 B13R1.145 CSC(C#N)Cc1ccc(cc1)C 62a_100000697087_200000210301 [0,2,0,0,0,0|1,0,1]=4 10243 B13R1.145 CSC(C#N)Cc1ccc(cc1)C 62a_200000210301_100000697087 [0,2,0,0,0,0|1,0,1]=4 10244 B13R1.145 Cc1ccc(cc1)CC(C#N)S[13CH3] 62a_100000697087_200025704644 [0,2,0,0,0,0|1,0,1]=4 10245 B13R1.145 Cc1ccc(cc1)CC(C#N)S[13CH3] 62a_200025704644_100000697087 [0,2,0,0,0,0|1,0,1]=4 10246 B13R1.145 [13CH3]NC(CO)Cc1ccc(cc1)Cl 2230a_100025702442_200025704644 [0,2,0,0,0,0|0,0,0]=2 10247 B13R1.145 [13CH3]NC(CO)Cc1ccc(cc1)Cl 34a_100025702442_200025704644 [0,2,0,0,0,0|0,0,0]=2 10248 B13R1.145 [13CH3]N[C@@H](CO)Cc1ccc(cc1)O 2230a_100020629837_200025704644 [0,2,0,0,0,0|0,0,0]=2 10249 B13R1.145 [13CH3]N[C@@H](CO)Cc1ccc(cc1)O 34a_100020629837_200025704644 [0,2,0,0,0,0|0,0,0]=2 10250 B13R1.249 CC(C)(Cc1ccc(cc1)Cl)O[13CH3] 34a_200011350411_200025704644 [0,2,0,0,0,0|1,0,0]=3 10251 B13R1.249 CC(C)(Cc1ccc(cc1)Cl)O[13CH3] 7a_200011350411_200025704644 [0,2,0,0,0,0|1,0,0]=3 10252 B13R1.249 CC(C)(Cc1ccc(cc1)F)N[13CH3] 2230a_100015243227_200025704644 [0,2,0,0,0,0|0,0,0]=2 10253 B13R1.249 CC(C)(Cc1ccc(cc1)F)N[13CH3] 34a_100015243227_200025704644 [0,2,0,0,0,0|0,0,0]=2 10254 B13R1.249 CC(C)(Cc1ccc(cc1)F)O[13CH3] 34a_200011350416_200025704644 [0,2,0,0,0,0|1,0,0]=3 10255 B13R1.249 CC(C)(Cc1ccc(cc1)F)O[13CH3] 7a_200011350416_200025704644 [0,2,0,0,0,0|1,0,0]=3 10256 B13R1.249 CCC(C)(C)Oc1ccc(cc1)Br 7a_100000185759_100000210677 [0,2,0,0,0,0|2,0,0]=4 10257 B13R1.249 CCC(C)(C)Oc1ccc(cc1)C 7a_100000210336_100000210677 [0,2,0,0,0,0|2,0,0]=4 10258 B13R1.249 CCC(C)(C)Oc1ccc(cc1)Cl 7a_100000210216_100000210677 [0,2,0,0,0,0|2,0,0]=4 10259 B13R1.249 CCC(C)(C)Oc1ccc(cc1)I 7a_100000212066_100000210677 [0,2,0,0,0,0|2,0,0]=4 10260 B13R1.249 CCC(C)(C)Sc1ccc(cc1)Br 62a_100000032637_100000752885 [0,2,0,0,0,0|2,0,0]=4 10261 B13R1.249 CCC(C)(C)Sc1ccc(cc1)Br 62a_100000752885_100000032637 [0,2,0,0,0,0|2,0,0]=4 10262 B13R1.249 CCC(C)(C)Sc1ccc(cc1)C 62a_100000032637_100000186775 [0,2,0,0,0,0|2,0,0]=4 10263 B13R1.249 CCC(C)(C)Sc1ccc(cc1)C 62a_100000186775_100000032637 [0,2,0,0,0,0|2,0,0]=4 10264 B13R1.249 CCC(C)(C)Sc1ccc(cc1)Cl 62a_100000032637_100000755918 [0,2,0,0,0,0|2,0,0]=4 10265 B13R1.249 CCC(C)(C)Sc1ccc(cc1)Cl 62a_100000755918_100000032637 [0,2,0,0,0,0|2,0,0]=4 10266 B13R1.249 CCC(C)(C)Sc1ccc(cc1)F 62a_100000032637_100000211213 [0,2,0,0,0,0|2,0,0]=4 10267 B13R1.249 CCC(C)(C)Sc1ccc(cc1)F 62a_100000211213_100000032637 [0,2,0,0,0,0|2,0,0]=4 10268 B13R1.249 CCC(C)(C)Sc1ccc(cc1)N 62a_100000032637_100000185761 [0,2,0,0,0,0|2,0,0]=4 10269 B13R1.249 CCC(C)(C)Sc1ccc(cc1)N 62a_100000185761_100000032637 [0,2,0,0,0,0|2,0,0]=4 10270 B13R1.249 CCC(C)(C)Sc1ccc(cc1)O 62a_100000032637_100000185759 [0,2,0,0,0,0|2,0,0]=4 10271 B13R1.249 CNC(C)(C)Cc1ccc(cc1)F 2230a_100015243227_200000210301 [0,2,0,0,0,0|0,0,0]=2 10272 B13R1.249 CNC(C)(C)Cc1ccc(cc1)F 34a_100015243227_200000210301 [0,2,0,0,0,0|0,0,0]=2 10273 B13R1.249 CNC(F)(F)Oc1ccc(cc1)Br 34a_100102657272_100010730758 [0,2,0,0,0,0|2,0,0]=4 10274 B13R1.249 CNC(F)(F)Oc1ccc(cc1)Br 7a_106832991635_100010730758 [0,2,0,0,0,0|2,0,0]=4 10275 B13R1.249 CNS(=O)(=O)Cc1ccc(cc1)Br 270084a_100102657272_100000764255 [0,2,0,0,0,0|2,0,0]=4 10276 B13R1.249 CNS(=O)(=O)Cc1ccc(cc1)Br 274078a_100102657272_100000764255 [0,2,0,0,0,0|2,0,0]=4 10277 B13R1.249 CNS(=O)(=O)Cc1ccc(cc1)C 270084a_100102657272_100000689310 [0,2,0,0,0,0|2,0,0]=4 10278 B13R1.249 CNS(=O)(=O)Cc1ccc(cc1)C 274078a_100102657272_100000689310 [0,2,0,0,0,0|2,0,0]=4 10279 B13R1.249 CNS(=O)(=O)Cc1ccc(cc1)Cl 270084a_100102657272_100011198069 [0,2,0,0,0,0|2,0,0]=4 10280 B13R1.249 CNS(=O)(=O)Cc1ccc(cc1)Cl 274078a_100102657272_100011198069 [0,2,0,0,0,0|2,0,0]=4 10281 B13R1.249 CNS(=O)(=O)Cc1ccc(cc1)F 270084a_100102657272_100000735682 [0,2,0,0,0,0|2,0,0]=4 10282 B13R1.249 CNS(=O)(=O)Cc1ccc(cc1)F 274078a_100102657272_100000735682 [0,2,0,0,0,0|2,0,0]=4 10283 B13R1.249 COC(C)(C)Cc1ccc(cc1)C 7a_200011350412_200000210301 [0,2,0,0,0,0|1,0,0]=3 10284 B13R1.249 COC(C)(C)Cc1ccc(cc1)Cl 34a_200011350411_200000210301 [0,2,0,0,0,0|1,0,0]=3 10285 B13R1.249 COC(C)(C)Cc1ccc(cc1)Cl 7a_200011350411_200000210301 [0,2,0,0,0,0|1,0,0]=3 10286 B13R1.249 COC(C)(C)Cc1ccc(cc1)F 34a_200011350416_200000210301 [0,2,0,0,0,0|1,0,0]=3 10287 B13R1.249 COC(C)(C)Cc1ccc(cc1)F 7a_200011350416_200000210301 [0,2,0,0,0,0|1,0,0]=3 10288 B13R1.249 Cc1ccc(cc1)CC(C)(C)O[13CH3] 7a_200011350412_200025704644 [0,2,0,0,0,0|1,0,0]=3 10289 B13R1.2679 CCC(C)Nc1ccc(cc1Br)Br 34a_100000211012_100011215416 [0,2,0,0,0,0|2,0,0]=4 10290 B13R1.2679 CCC(C)Nc1ccc(cc1Br)C 34a_100000210942_100011215416 [0,2,0,0,0,0|2,0,0]=4 10291 B13R1.2679 CCC(C)Nc1ccc(cc1Br)Cl 34a_100000752454_100011215416 [0,2,0,0,0,0|2,0,0]=4 10292 B13R1.2679 CCC(C)Nc1ccc(cc1Br)F 34a_100000738039_100011215416 [0,2,0,0,0,0|2,0,0]=4 10293 B13R1.2679 CCC(C)Nc1ccc(cc1Br)O 34a_100012001276_100011215416 [0,2,0,0,0,0|2,0,0]=4 10294 B13R1.2679 CCC(C)Nc1ccc(cc1C)Br 34a_100000211769_100011215416 [0,2,0,0,0,0|2,0,0]=4 10295 B13R1.2679 CCC(C)Nc1ccc(cc1C)Br 7a_100000211769_100000758301 [0,2,0,0,0,0|2,0,0]=4 10296 B13R1.2679 CCC(C)Nc1ccc(cc1C)C 34a_100000736561_100011215416 [0,2,0,0,0,0|2,0,0]=4 10297 B13R1.2679 CCC(C)Nc1ccc(cc1C)C 7a_100000736561_100000758301 [0,2,0,0,0,0|2,0,0]=4 10298 B13R1.2679 CCC(C)Nc1ccc(cc1C)Cl 34a_100000210418_100011215416 [0,2,0,0,0,0|2,0,0]=4 10299 B13R1.2679 CCC(C)Nc1ccc(cc1C)Cl 7a_100000210418_100000758301 [0,2,0,0,0,0|2,0,0]=4 10300 B13R1.2679 CCC(C)Nc1ccc(cc1C)F 34a_100000211637_100011215416 [0,2,0,0,0,0|2,0,0]=4 10301 B13R1.2679 CCC(C)Nc1ccc(cc1C)F 7a_100000211637_100000758301 [0,2,0,0,0,0|2,0,0]=4 10302 B13R1.2679 CCC(C)Nc1ccc(cc1C)I 34a_100000184554_100011215416 [0,2,0,0,0,0|2,0,0]=4 10303 B13R1.2679 CCC(C)Nc1ccc(cc1C)I 7a_100000184554_100000758301 [0,2,0,0,0,0|2,0,0]=4 10304 B13R1.2679 CCC(C)Nc1ccc(cc1C)O 34a_100000756630_100011215416 [0,2,0,0,0,0|2,0,0]=4 10305 B13R1.2679 CCC(C)Nc1ccc(cc1Cl)Br 34a_100000211467_100011215416 [0,2,0,0,0,0|2,0,0]=4 10306 B13R1.2679 CCC(C)Nc1ccc(cc1Cl)C 34a_100000210522_100011215416 [0,2,0,0,0,0|2,0,0]=4 10307 B13R1.2679 CCC(C)Nc1ccc(cc1Cl)Cl 34a_100000185861_100011215416 [0,2,0,0,0,0|2,0,0]=4 10308 B13R1.2679 CCC(C)Nc1ccc(cc1Cl)F 34a_100000212003_100011215416 [0,2,0,0,0,0|2,0,0]=4 10309 B13R1.2679 CCC(C)Nc1ccc(cc1Cl)I 34a_100011218065_100011215416 [0,2,0,0,0,0|2,0,0]=4 10310 B13R1.2679 CCC(C)Nc1ccc(cc1Cl)O 34a_100011215599_100011215416 [0,2,0,0,0,0|2,0,0]=4 10311 B13R1.2679 CCC(C)Nc1ccc(cc1F)Br 34a_100000210722_100011215416 [0,2,0,0,0,0|2,0,0]=4 10312 B13R1.2679 CCC(C)Nc1ccc(cc1F)C 34a_100000211023_100011215416 [0,2,0,0,0,0|2,0,0]=4 10313 B13R1.2679 CCC(C)Nc1ccc(cc1F)Cl 34a_100000211020_100011215416 [0,2,0,0,0,0|2,0,0]=4 10314 B13R1.2679 CCC(C)Nc1ccc(cc1F)F 34a_100000210720_100011215416 [0,2,0,0,0,0|2,0,0]=4 10315 B13R1.2679 CCC(C)Nc1ccc(cc1F)I 34a_100011215594_100011215416 [0,2,0,0,0,0|2,0,0]=4 10316 B13R1.2679 CCC(C)Nc1ccc(cc1F)O 34a_100000759473_100011215416 [0,2,0,0,0,0|2,0,0]=4 10317 B13R1.2679 CCC(C)Nc1ccc(cc1I)Br 34a_100000187925_100011215416 [0,2,0,0,0,0|2,0,0]=4 10318 B13R1.2679 CCC(C)Nc1ccc(cc1I)C 34a_100011356834_100011215416 [0,2,0,0,0,0|2,0,0]=4 10319 B13R1.2679 CCC(C)Nc1ccc(cc1I)Cl 34a_100000761889_100011215416 [0,2,0,0,0,0|2,0,0]=4 10320 B13R1.2679 CCC(C)Nc1ccc(cc1I)F 34a_100000760547_100011215416 [0,2,0,0,0,0|2,0,0]=4 10321 B13R1.2679 CCC(C)Nc1ccc(cc1I)O 34a_100010084370_100011215416 [0,2,0,0,0,0|2,0,0]=4 10322 B13R1.2679 CCC(C)Nc1ccc(cc1O)Br 34a_100000739049_100011215416 [0,2,0,0,0,0|2,0,0]=4 10323 B13R1.2679 CCC(C)Nc1ccc(cc1O)C 34a_100000211527_100011215416 [0,2,0,0,0,0|2,0,0]=4 10324 B13R1.2679 CCC(C)Nc1ccc(cc1O)Cl 34a_100000185728_100011215416 [0,2,0,0,0,0|2,0,0]=4 10325 B13R1.2679 CCC(C)Nc1ccc(cc1O)F 34a_100000753323_100011215416 [0,2,0,0,0,0|2,0,0]=4 10326 B13R1.2679 CCC(C)Nc1ccc(cc1O)O 34a_100000106777_100011215416 [0,2,0,0,0,0|2,0,0]=4 10327 B13R1.2679 CCC(C)Oc1ccc(cc1Br)Br 34a_100000188717_100011215416 [0,2,0,0,0,0|2,0,0]=4 10328 B13R1.2679 CCC(C)Oc1ccc(cc1Br)Br 7a_100000188717_100000758301 [0,2,0,0,0,0|2,0,0]=4 10329 B13R1.2679 CCC(C)Oc1ccc(cc1Br)C 34a_100000210800_100011215416 [0,2,0,0,0,0|2,0,0]=4 10330 B13R1.2679 CCC(C)Oc1ccc(cc1Br)C 7a_100000210800_100000758301 [0,2,0,0,0,0|2,0,0]=4 10331 B13R1.2679 CCC(C)Oc1ccc(cc1Br)Cl 34a_100000211998_100011215416 [0,2,0,0,0,0|2,0,0]=4 10332 B13R1.2679 CCC(C)Oc1ccc(cc1Br)Cl 7a_100000211998_100000758301 [0,2,0,0,0,0|2,0,0]=4 10333 B13R1.2679 CCC(C)Oc1ccc(cc1Br)F 34a_100000211999_100011215416 [0,2,0,0,0,0|2,0,0]=4 10334 B13R1.2679 CCC(C)Oc1ccc(cc1Br)F 7a_100000211999_100000758301 [0,2,0,0,0,0|2,0,0]=4 10335 B13R1.2679 CCC(C)Oc1ccc(cc1Br)I 34a_100012361655_100011215416 [0,2,0,0,0,0|2,0,0]=4 10336 B13R1.2679 CCC(C)Oc1ccc(cc1Br)I 7a_100012361655_100000758301 [0,2,0,0,0,0|2,0,0]=4 10337 B13R1.2679 CCC(C)Oc1ccc(cc1Br)N 34a_100011534360_100011215416 [0,2,0,0,0,0|2,0,0]=4 10338 B13R1.2679 CCC(C)Oc1ccc(cc1Br)N 7a_100011534360_100000758301 [0,2,0,0,0,0|2,0,0]=4 10339 B13R1.2679 CCC(C)Oc1ccc(cc1C)Br 34a_100000186361_100011215416 [0,2,0,0,0,0|2,0,0]=4 10340 B13R1.2679 CCC(C)Oc1ccc(cc1C)Br 7a_100000186361_100000758301 [0,2,0,0,0,0|2,0,0]=4 10341 B13R1.2679 CCC(C)Oc1ccc(cc1C)C 34a_100000211776_100011215416 [0,2,0,0,0,0|2,0,0]=4 10342 B13R1.2679 CCC(C)Oc1ccc(cc1C)C 7a_100000211776_100000758301 [0,2,0,0,0,0|2,0,0]=4 10343 B13R1.2679 CCC(C)Oc1ccc(cc1C)Cl 34a_100000211091_100011215416 [0,2,0,0,0,0|2,0,0]=4 10344 B13R1.2679 CCC(C)Oc1ccc(cc1C)Cl 7a_100000211091_100000758301 [0,2,0,0,0,0|2,0,0]=4 10345 B13R1.2679 CCC(C)Oc1ccc(cc1C)F 34a_100000764316_100011215416 [0,2,0,0,0,0|2,0,0]=4 10346 B13R1.2679 CCC(C)Oc1ccc(cc1C)F 7a_100000764316_100000758301 [0,2,0,0,0,0|2,0,0]=4 10347 B13R1.2679 CCC(C)Oc1ccc(cc1C)I 34a_100011218673_100011215416 [0,2,0,0,0,0|2,0,0]=4 10348 B13R1.2679 CCC(C)Oc1ccc(cc1C)I 7a_100011218673_100000758301 [0,2,0,0,0,0|2,0,0]=4 10349 B13R1.2679 CCC(C)Oc1ccc(cc1C)N 34a_100011218179_100011215416 [0,2,0,0,0,0|2,0,0]=4 10350 B13R1.2679 CCC(C)Oc1ccc(cc1C)N 7a_100011218179_100000758301 [0,2,0,0,0,0|2,0,0]=4 10351 B13R1.2679 CCC(C)Oc1ccc(cc1Cl)Br 34a_100000186472_100011215416 [0,2,0,0,0,0|2,0,0]=4 10352 B13R1.2679 CCC(C)Oc1ccc(cc1Cl)Br 7a_100000186472_100000758301 [0,2,0,0,0,0|2,0,0]=4 10353 B13R1.2679 CCC(C)Oc1ccc(cc1Cl)C 34a_100000749699_100011215416 [0,2,0,0,0,0|2,0,0]=4 10354 B13R1.2679 CCC(C)Oc1ccc(cc1Cl)C 7a_100000749699_100000758301 [0,2,0,0,0,0|2,0,0]=4 10355 B13R1.2679 CCC(C)Oc1ccc(cc1Cl)Cl 34a_100015191787_100011215416 [0,2,0,0,0,0|2,0,0]=4 10356 B13R1.2679 CCC(C)Oc1ccc(cc1Cl)Cl 7a_100015191787_100000758301 [0,2,0,0,0,0|2,0,0]=4 10357 B13R1.2679 CCC(C)Oc1ccc(cc1Cl)F 34a_100000212004_100011215416 [0,2,0,0,0,0|2,0,0]=4 10358 B13R1.2679 CCC(C)Oc1ccc(cc1Cl)F 7a_100000212004_100000758301 [0,2,0,0,0,0|2,0,0]=4 10359 B13R1.2679 CCC(C)Oc1ccc(cc1Cl)I 34a_100012360047_100011215416 [0,2,0,0,0,0|2,0,0]=4 10360 B13R1.2679 CCC(C)Oc1ccc(cc1Cl)I 7a_100012360047_100000758301 [0,2,0,0,0,0|2,0,0]=4 10361 B13R1.2679 CCC(C)Oc1ccc(cc1Cl)N 34a_100000744943_100011215416 [0,2,0,0,0,0|2,0,0]=4 10362 B13R1.2679 CCC(C)Oc1ccc(cc1Cl)N 7a_100000744943_100000758301 [0,2,0,0,0,0|2,0,0]=4 10363 B13R1.2679 CCC(C)Oc1ccc(cc1F)Br 34a_100000185481_100011215416 [0,2,0,0,0,0|2,0,0]=4 10364 B13R1.2679 CCC(C)Oc1ccc(cc1F)Br 7a_100000185481_100000758301 [0,2,0,0,0,0|2,0,0]=4 10365 B13R1.2679 CCC(C)Oc1ccc(cc1F)C 34a_100011216688_100011215416 [0,2,0,0,0,0|2,0,0]=4 10366 B13R1.2679 CCC(C)Oc1ccc(cc1F)C 7a_100011216688_100000758301 [0,2,0,0,0,0|2,0,0]=4 10367 B13R1.2679 CCC(C)Oc1ccc(cc1F)Cl 34a_100000230166_100011215416 [0,2,0,0,0,0|2,0,0]=4 10368 B13R1.2679 CCC(C)Oc1ccc(cc1F)Cl 7a_100000230166_100000758301 [0,2,0,0,0,0|2,0,0]=4 10369 B13R1.2679 CCC(C)Oc1ccc(cc1F)F 34a_100000230127_100011215416 [0,2,0,0,0,0|2,0,0]=4 10370 B13R1.2679 CCC(C)Oc1ccc(cc1F)F 7a_100000230127_100000758301 [0,2,0,0,0,0|2,0,0]=4 10371 B13R1.2679 CCC(C)Oc1ccc(cc1F)I 34a_100011356965_100011215416 [0,2,0,0,0,0|2,0,0]=4 10372 B13R1.2679 CCC(C)Oc1ccc(cc1F)I 7a_100011356965_100000758301 [0,2,0,0,0,0|2,0,0]=4 10373 B13R1.2679 CCC(C)Oc1ccc(cc1F)N 34a_100011220035_100011215416 [0,2,0,0,0,0|2,0,0]=4 10374 B13R1.2679 CCC(C)Oc1ccc(cc1F)N 7a_100011220035_100000758301 [0,2,0,0,0,0|2,0,0]=4 10375 B13R1.2679 CCC(C)Oc1ccc(cc1I)Br 34a_100012355227_100011215416 [0,2,0,0,0,0|2,0,0]=4 10376 B13R1.2679 CCC(C)Oc1ccc(cc1I)Br 7a_100012355227_100000758301 [0,2,0,0,0,0|2,0,0]=4 10377 B13R1.2679 CCC(C)Oc1ccc(cc1I)C 34a_100000765521_100011215416 [0,2,0,0,0,0|2,0,0]=4 10378 B13R1.2679 CCC(C)Oc1ccc(cc1I)C 7a_100000765521_100000758301 [0,2,0,0,0,0|2,0,0]=4 10379 B13R1.2679 CCC(C)Oc1ccc(cc1I)Cl 34a_100011356953_100011215416 [0,2,0,0,0,0|2,0,0]=4 10380 B13R1.2679 CCC(C)Oc1ccc(cc1I)Cl 7a_100011356953_100000758301 [0,2,0,0,0,0|2,0,0]=4 10381 B13R1.2679 CCC(C)Oc1ccc(cc1I)F 34a_100012355409_100011215416 [0,2,0,0,0,0|2,0,0]=4 10382 B13R1.2679 CCC(C)Oc1ccc(cc1I)F 7a_100012355409_100000758301 [0,2,0,0,0,0|2,0,0]=4 10383 B13R1.2679 CCC(C)Oc1ccc(cc1I)I 7a_100010001573_100000758301 [0,2,0,0,0,0|2,0,0]=4 10384 B13R1.2679 CCC(C)Oc1ccc(cc1N)Br 34a_100000752626_100011215416 [0,2,0,0,0,0|2,0,0]=4 10385 B13R1.2679 CCC(C)Oc1ccc(cc1N)Br 7a_100000752626_100000758301 [0,2,0,0,0,0|2,0,0]=4 10386 B13R1.2679 CCC(C)Oc1ccc(cc1N)C 34a_100011215204_100011215416 [0,2,0,0,0,0|2,0,0]=4 10387 B13R1.2679 CCC(C)Oc1ccc(cc1N)C 7a_100011215204_100000758301 [0,2,0,0,0,0|2,0,0]=4 10388 B13R1.2679 CCC(C)Oc1ccc(cc1N)Cl 34a_100000210500_100011215416 [0,2,0,0,0,0|2,0,0]=4 10389 B13R1.2679 CCC(C)Oc1ccc(cc1N)Cl 7a_100000210500_100000758301 [0,2,0,0,0,0|2,0,0]=4 10390 B13R1.2679 CCC(C)Oc1ccc(cc1N)F 34a_100000759472_100011215416 [0,2,0,0,0,0|2,0,0]=4 10391 B13R1.2679 CCC(C)Oc1ccc(cc1N)F 7a_100000759472_100000758301 [0,2,0,0,0,0|2,0,0]=4 10392 B13R1.2679 CCC(C)Oc1ccc(cc1N)I 34a_100000753495_100011215416 [0,2,0,0,0,0|2,0,0]=4 10393 B13R1.2679 CCC(C)Oc1ccc(cc1N)I 7a_100000753495_100000758301 [0,2,0,0,0,0|2,0,0]=4 10394 B13R1.2679 CCC(C)Oc1ccc(cc1N)N 34a_100000725306_100011215416 [0,2,0,0,0,0|2,0,0]=4 10395 B13R1.2679 CCC(C)Sc1ccc(cc1Br)Br 62a_100000758301_100011484698 [0,2,0,0,0,0|2,0,0]=4 10396 B13R1.2679 CCC(C)Sc1ccc(cc1Br)Br 62a_100011484698_100000758301 [0,2,0,0,0,0|2,0,0]=4 10397 B13R1.2679 CCC(C)Sc1ccc(cc1Br)C 62a_100000758301_100009813563 [0,2,0,0,0,0|2,0,0]=4 10398 B13R1.2679 CCC(C)Sc1ccc(cc1Br)C 62a_100009813563_100000758301 [0,2,0,0,0,0|2,0,0]=4 10399 B13R1.2679 CCC(C)Sc1ccc(cc1Br)Cl 62a_100000758301_100011219703 [0,2,0,0,0,0|2,0,0]=4 10400 B13R1.2679 CCC(C)Sc1ccc(cc1Br)Cl 62a_100011219703_100000758301 [0,2,0,0,0,0|2,0,0]=4 10401 B13R1.2679 CCC(C)Sc1ccc(cc1Br)F 62a_100000758301_100011217111 [0,2,0,0,0,0|2,0,0]=4 10402 B13R1.2679 CCC(C)Sc1ccc(cc1Br)F 62a_100011217111_100000758301 [0,2,0,0,0,0|2,0,0]=4 10403 B13R1.2679 CCC(C)Sc1ccc(cc1Br)N 62a_100000750458_100000758301 [0,2,0,0,0,0|2,0,0]=4 10404 B13R1.2679 CCC(C)Sc1ccc(cc1Br)N 62a_100000758301_100000750458 [0,2,0,0,0,0|2,0,0]=4 10405 B13R1.2679 CCC(C)Sc1ccc(cc1Br)O 62a_100000701344_100000758301 [0,2,0,0,0,0|2,0,0]=4 10406 B13R1.2679 CCC(C)Sc1ccc(cc1Br)O 62a_100000758301_100000701344 [0,2,0,0,0,0|2,0,0]=4 10407 B13R1.2679 CCC(C)Sc1ccc(cc1C)Br 62a_100000701812_100000758301 [0,2,0,0,0,0|2,0,0]=4 10408 B13R1.2679 CCC(C)Sc1ccc(cc1C)Br 62a_100000758301_100000701812 [0,2,0,0,0,0|2,0,0]=4 10409 B13R1.2679 CCC(C)Sc1ccc(cc1C)C 62a_100000758301_100011217332 [0,2,0,0,0,0|2,0,0]=4 10410 B13R1.2679 CCC(C)Sc1ccc(cc1C)C 62a_100011217332_100000758301 [0,2,0,0,0,0|2,0,0]=4 10411 B13R1.2679 CCC(C)Sc1ccc(cc1C)Cl 62a_100000758301_100011219607 [0,2,0,0,0,0|2,0,0]=4 10412 B13R1.2679 CCC(C)Sc1ccc(cc1C)Cl 62a_100011219607_100000758301 [0,2,0,0,0,0|2,0,0]=4 10413 B13R1.2679 CCC(C)Sc1ccc(cc1C)F 62a_100000758301_100011205405 [0,2,0,0,0,0|2,0,0]=4 10414 B13R1.2679 CCC(C)Sc1ccc(cc1C)F 62a_100011205405_100000758301 [0,2,0,0,0,0|2,0,0]=4 10415 B13R1.2679 CCC(C)Sc1ccc(cc1C)N 62a_100000210723_100000758301 [0,2,0,0,0,0|2,0,0]=4 10416 B13R1.2679 CCC(C)Sc1ccc(cc1C)N 62a_100000758301_100000210723 [0,2,0,0,0,0|2,0,0]=4 10417 B13R1.2679 CCC(C)Sc1ccc(cc1C)O 62a_100000758301_100000690111 [0,2,0,0,0,0|2,0,0]=4 10418 B13R1.2679 CCC(C)Sc1ccc(cc1Cl)Br 62a_100000758301_100011216062 [0,2,0,0,0,0|2,0,0]=4 10419 B13R1.2679 CCC(C)Sc1ccc(cc1Cl)Br 62a_100011216062_100000758301 [0,2,0,0,0,0|2,0,0]=4 10420 B13R1.2679 CCC(C)Sc1ccc(cc1Cl)C 62a_100000758301_100011263221 [0,2,0,0,0,0|2,0,0]=4 10421 B13R1.2679 CCC(C)Sc1ccc(cc1Cl)C 62a_100011263221_100000758301 [0,2,0,0,0,0|2,0,0]=4 10422 B13R1.2679 CCC(C)Sc1ccc(cc1Cl)Cl 62a_100000699841_100000758301 [0,2,0,0,0,0|2,0,0]=4 10423 B13R1.2679 CCC(C)Sc1ccc(cc1Cl)Cl 62a_100000758301_100000699841 [0,2,0,0,0,0|2,0,0]=4 10424 B13R1.2679 CCC(C)Sc1ccc(cc1Cl)F 62a_100000733362_100000758301 [0,2,0,0,0,0|2,0,0]=4 10425 B13R1.2679 CCC(C)Sc1ccc(cc1Cl)F 62a_100000758301_100000733362 [0,2,0,0,0,0|2,0,0]=4 10426 B13R1.2679 CCC(C)Sc1ccc(cc1Cl)N 62a_100000758301_100000761885 [0,2,0,0,0,0|2,0,0]=4 10427 B13R1.2679 CCC(C)Sc1ccc(cc1Cl)N 62a_100000761885_100000758301 [0,2,0,0,0,0|2,0,0]=4 10428 B13R1.2679 CCC(C)Sc1ccc(cc1Cl)O 62a_100000047559_100000758301 [0,2,0,0,0,0|2,0,0]=4 10429 B13R1.2679 CCC(C)Sc1ccc(cc1Cl)O 62a_100000758301_100000047559 [0,2,0,0,0,0|2,0,0]=4 10430 B13R1.2679 CCC(C)Sc1ccc(cc1F)Br 62a_100000758301_100009814013 [0,2,0,0,0,0|2,0,0]=4 10431 B13R1.2679 CCC(C)Sc1ccc(cc1F)Br 62a_100009814013_100000758301 [0,2,0,0,0,0|2,0,0]=4 10432 B13R1.2679 CCC(C)Sc1ccc(cc1F)C 62a_100000758301_100011216119 [0,2,0,0,0,0|2,0,0]=4 10433 B13R1.2679 CCC(C)Sc1ccc(cc1F)C 62a_100011216119_100000758301 [0,2,0,0,0,0|2,0,0]=4 10434 B13R1.2679 CCC(C)Sc1ccc(cc1F)Cl 62a_100000758301_100011216042 [0,2,0,0,0,0|2,0,0]=4 10435 B13R1.2679 CCC(C)Sc1ccc(cc1F)Cl 62a_100011216042_100000758301 [0,2,0,0,0,0|2,0,0]=4 10436 B13R1.2679 CCC(C)Sc1ccc(cc1F)F 62a_100000750030_100000758301 [0,2,0,0,0,0|2,0,0]=4 10437 B13R1.2679 CCC(C)Sc1ccc(cc1F)F 62a_100000758301_100000750030 [0,2,0,0,0,0|2,0,0]=4 10438 B13R1.2679 CCC(C)Sc1ccc(cc1F)N 62a_100000758301_100011356925 [0,2,0,0,0,0|2,0,0]=4 10439 B13R1.2679 CCC(C)Sc1ccc(cc1F)N 62a_100011356925_100000758301 [0,2,0,0,0,0|2,0,0]=4 10440 B13R1.2679 CCC(C)Sc1ccc(cc1F)O 62a_100000755031_100000758301 [0,2,0,0,0,0|2,0,0]=4 10441 B13R1.2679 CCC(C)Sc1ccc(cc1F)O 62a_100000758301_100000755031 [0,2,0,0,0,0|2,0,0]=4 10442 B13R1.2679 CCC(C)Sc1ccc(cc1N)Br 62a_100000743836_100000758301 [0,2,0,0,0,0|2,0,0]=4 10443 B13R1.2679 CCC(C)Sc1ccc(cc1N)Br 62a_100000758301_100000743836 [0,2,0,0,0,0|2,0,0]=4 10444 B13R1.2679 CCC(C)Sc1ccc(cc1N)C 62a_100000758301_100011216686 [0,2,0,0,0,0|2,0,0]=4 10445 B13R1.2679 CCC(C)Sc1ccc(cc1N)C 62a_100011216686_100000758301 [0,2,0,0,0,0|2,0,0]=4 10446 B13R1.2679 CCC(C)Sc1ccc(cc1N)Cl 62a_100000758301_100000761886 [0,2,0,0,0,0|2,0,0]=4 10447 B13R1.2679 CCC(C)Sc1ccc(cc1N)Cl 62a_100000761886_100000758301 [0,2,0,0,0,0|2,0,0]=4 10448 B13R1.2679 CCC(C)Sc1ccc(cc1N)F 62a_100000687223_100000758301 [0,2,0,0,0,0|2,0,0]=4 10449 B13R1.2679 CCC(C)Sc1ccc(cc1N)F 62a_100000758301_100000687223 [0,2,0,0,0,0|2,0,0]=4 10450 B13R1.2679 CCC(C)Sc1ccc(cc1N)N 62a_100000758301_200012175722 [0,2,0,0,0,0|2,0,0]=4 10451 B13R1.2679 CCC(C)Sc1ccc(cc1N)N 62a_200012175722_100000758301 [0,2,0,0,0,0|2,0,0]=4 10452 B13R1.2679 CCC(C)Sc1ccc(cc1N)O 62a_100000758301_100011999798 [0,2,0,0,0,0|2,0,0]=4 10453 B13R1.2679 CCC(C)Sc1ccc(cc1N)O 62a_100011999798_100000758301 [0,2,0,0,0,0|2,0,0]=4 10454 B13R1.2679 CCC(C)Sc1ccc(cc1O)Br 62a_100000758301_100012344904 [0,2,0,0,0,0|2,0,0]=4 10455 B13R1.2679 CCC(C)Sc1ccc(cc1O)Br 62a_100012344904_100000758301 [0,2,0,0,0,0|2,0,0]=4 10456 B13R1.2679 CCC(C)Sc1ccc(cc1O)C 62a_100000758301_100012002257 [0,2,0,0,0,0|2,0,0]=4 10457 B13R1.2679 CCC(C)Sc1ccc(cc1O)C 62a_100012002257_100000758301 [0,2,0,0,0,0|2,0,0]=4 10458 B13R1.2679 CCC(C)Sc1ccc(cc1O)Cl 62a_100000050036_100000758301 [0,2,0,0,0,0|2,0,0]=4 10459 B13R1.2679 CCC(C)Sc1ccc(cc1O)Cl 62a_100000758301_100000050036 [0,2,0,0,0,0|2,0,0]=4 10460 B13R1.2679 CCC(C)Sc1ccc(cc1O)F 62a_100000690578_100000758301 [0,2,0,0,0,0|2,0,0]=4 10461 B13R1.2679 CCC(C)Sc1ccc(cc1O)F 62a_100000758301_100000690578 [0,2,0,0,0,0|2,0,0]=4 10462 B13R1.2679 CCC(C)Sc1ccc(cc1O)O 62a_100000758301_100009813921 [0,2,0,0,0,0|2,0,0]=4 10463 B13R1.2679 CCN(C)Cc1ccc(cc1Br)Br 2230a_100000225621_200012351560 [0,2,0,0,0,0|2,0,0]=4 10464 B13R1.2679 CCN(C)Cc1ccc(cc1Br)Br 269982a_100000225621_200012351560 [0,2,0,0,0,0|2,0,0]=4 10465 B13R1.2679 CCN(C)Cc1ccc(cc1Br)Br 26a_100000225621_100000188717 [0,2,0,0,0,0|2,0,0]=4 10466 B13R1.2679 CCN(C)Cc1ccc(cc1Br)C 26a_100000225621_100000210800 [0,2,0,0,0,0|2,0,0]=4 10467 B13R1.2679 CCN(C)Cc1ccc(cc1Br)Cl 2230a_100000225621_100000755608 [0,2,0,0,0,0|2,0,0]=4 10468 B13R1.2679 CCN(C)Cc1ccc(cc1Br)Cl 269982a_100000225621_100000755608 [0,2,0,0,0,0|2,0,0]=4 10469 B13R1.2679 CCN(C)Cc1ccc(cc1Br)Cl 26a_100000225621_100000211998 [0,2,0,0,0,0|2,0,0]=4 10470 B13R1.2679 CCN(C)Cc1ccc(cc1Br)F 2230a_100000225621_100000243222 [0,2,0,0,0,0|2,0,0]=4 10471 B13R1.2679 CCN(C)Cc1ccc(cc1Br)F 2230a_200011192132_100000210202 [0,2,0,0,0,0|2,0,0]=4 10472 B13R1.2679 CCN(C)Cc1ccc(cc1Br)F 269982a_100000225621_100000243222 [0,2,0,0,0,0|2,0,0]=4 10473 B13R1.2679 CCN(C)Cc1ccc(cc1Br)F 269982a_200011192132_100000204670 [0,2,0,0,0,0|2,0,0]=4 10474 B13R1.2679 CCN(C)Cc1ccc(cc1Br)F 26a_100000225621_100000211999 [0,2,0,0,0,0|2,0,0]=4 10475 B13R1.2679 CCN(C)Cc1ccc(cc1Br)F 34a_200011192132_100000210202 [0,2,0,0,0,0|2,0,0]=4 10476 B13R1.2679 CCN(C)Cc1ccc(cc1Br)I 2230a_100000225621_100010146610 [0,2,0,0,0,0|2,0,0]=4 10477 B13R1.2679 CCN(C)Cc1ccc(cc1Br)I 269982a_100000225621_100010146610 [0,2,0,0,0,0|2,0,0]=4 10478 B13R1.2679 CCN(C)Cc1ccc(cc1Br)I 26a_100000225621_100012361655 [0,2,0,0,0,0|2,0,0]=4 10479 B13R1.2679 CCN(C)Cc1ccc(cc1C)Br 2230a_100000225621_100000708836 [0,2,0,0,0,0|2,0,0]=4 10480 B13R1.2679 CCN(C)Cc1ccc(cc1C)Br 269982a_100000225621_100000708836 [0,2,0,0,0,0|2,0,0]=4 10481 B13R1.2679 CCN(C)Cc1ccc(cc1C)Br 26a_100000225621_100000186361 [0,2,0,0,0,0|2,0,0]=4 10482 B13R1.2679 CCN(C)Cc1ccc(cc1C)C 2230a_100000225621_100011219618 [0,2,0,0,0,0|2,0,0]=4 10483 B13R1.2679 CCN(C)Cc1ccc(cc1C)C 2230a_100025771030_100000210202 [0,2,0,0,0,0|2,0,0]=4 10484 B13R1.2679 CCN(C)Cc1ccc(cc1C)C 269982a_100000225621_100011219618 [0,2,0,0,0,0|2,0,0]=4 10485 B13R1.2679 CCN(C)Cc1ccc(cc1C)C 269982a_100025771030_100000204670 [0,2,0,0,0,0|2,0,0]=4 10486 B13R1.2679 CCN(C)Cc1ccc(cc1C)C 34a_100025771030_100000210202 [0,2,0,0,0,0|2,0,0]=4 10487 B13R1.2679 CCN(C)Cc1ccc(cc1C)Cl 2230a_100000225621_100012361307 [0,2,0,0,0,0|2,0,0]=4 10488 B13R1.2679 CCN(C)Cc1ccc(cc1C)Cl 269982a_100000225621_100012361307 [0,2,0,0,0,0|2,0,0]=4 10489 B13R1.2679 CCN(C)Cc1ccc(cc1C)F 2230a_100000225621_100000700533 [0,2,0,0,0,0|2,0,0]=4 10490 B13R1.2679 CCN(C)Cc1ccc(cc1C)F 269982a_100000225621_100000700533 [0,2,0,0,0,0|2,0,0]=4 10491 B13R1.2679 CCN(C)Cc1ccc(cc1Cl)Br 2230a_100000225621_100011740631 [0,2,0,0,0,0|2,0,0]=4 10492 B13R1.2679 CCN(C)Cc1ccc(cc1Cl)Br 269982a_100000225621_100011740631 [0,2,0,0,0,0|2,0,0]=4 10493 B13R1.2679 CCN(C)Cc1ccc(cc1Cl)Br 26a_100000225621_100000186472 [0,2,0,0,0,0|2,0,0]=4 10494 B13R1.2679 CCN(C)Cc1ccc(cc1Cl)C 2230a_100000225621_100012349684 [0,2,0,0,0,0|2,0,0]=4 10495 B13R1.2679 CCN(C)Cc1ccc(cc1Cl)C 269982a_100000225621_100012349684 [0,2,0,0,0,0|2,0,0]=4 10496 B13R1.2679 CCN(C)Cc1ccc(cc1Cl)C 26a_100000225621_100000749699 [0,2,0,0,0,0|2,0,0]=4 10497 B13R1.2679 CCN(C)Cc1ccc(cc1Cl)Cl 2230a_100000186925_200000210301 [0,2,0,0,0,0|2,0,0]=4 10498 B13R1.2679 CCN(C)Cc1ccc(cc1Cl)Cl 2230a_100000225621_100000188473 [0,2,0,0,0,0|2,0,0]=4 10499 B13R1.2679 CCN(C)Cc1ccc(cc1Cl)Cl 2230a_100015189987_100000210202 [0,2,0,0,0,0|2,0,0]=4 10500 B13R1.2679 CCN(C)Cc1ccc(cc1Cl)Cl 269982a_100000186925_200000210301 [0,2,0,0,0,0|2,0,0]=4 10501 B13R1.2679 CCN(C)Cc1ccc(cc1Cl)Cl 269982a_100000225621_100000188473 [0,2,0,0,0,0|2,0,0]=4 10502 B13R1.2679 CCN(C)Cc1ccc(cc1Cl)Cl 269982a_100015189987_100000204670 [0,2,0,0,0,0|2,0,0]=4 10503 B13R1.2679 CCN(C)Cc1ccc(cc1Cl)Cl 26a_100000225621_100015191787 [0,2,0,0,0,0|2,0,0]=4 10504 B13R1.2679 CCN(C)Cc1ccc(cc1Cl)Cl 34a_100000186925_200000210301 [0,2,0,0,0,0|2,0,0]=4 10505 B13R1.2679 CCN(C)Cc1ccc(cc1Cl)Cl 34a_100015189987_100000210202 [0,2,0,0,0,0|2,0,0]=4 10506 B13R1.2679 CCN(C)Cc1ccc(cc1Cl)F 2230a_100000225621_100011216360 [0,2,0,0,0,0|2,0,0]=4 10507 B13R1.2679 CCN(C)Cc1ccc(cc1Cl)F 269982a_100000225621_100011216360 [0,2,0,0,0,0|2,0,0]=4 10508 B13R1.2679 CCN(C)Cc1ccc(cc1Cl)F 26a_100000225621_100000212004 [0,2,0,0,0,0|2,0,0]=4 10509 B13R1.2679 CCN(C)Cc1ccc(cc1F)Br 2230a_100000225621_100000211606 [0,2,0,0,0,0|2,0,0]=4 10510 B13R1.2679 CCN(C)Cc1ccc(cc1F)Br 269982a_100000225621_100000211606 [0,2,0,0,0,0|2,0,0]=4 10511 B13R1.2679 CCN(C)Cc1ccc(cc1F)Br 26a_100000225621_100000185481 [0,2,0,0,0,0|2,0,0]=4 10512 B13R1.2679 CCN(C)Cc1ccc(cc1F)C 2230a_100000225621_100011217900 [0,2,0,0,0,0|2,0,0]=4 10513 B13R1.2679 CCN(C)Cc1ccc(cc1F)C 269982a_100000225621_100011217900 [0,2,0,0,0,0|2,0,0]=4 10514 B13R1.2679 CCN(C)Cc1ccc(cc1F)Cl 2230a_100000225621_100000709361 [0,2,0,0,0,0|2,0,0]=4 10515 B13R1.2679 CCN(C)Cc1ccc(cc1F)Cl 269982a_100000225621_100000709361 [0,2,0,0,0,0|2,0,0]=4 10516 B13R1.2679 CCN(C)Cc1ccc(cc1F)F 2230a_100000207661_100000210202 [0,2,0,0,0,0|2,0,0]=4 10517 B13R1.2679 CCN(C)Cc1ccc(cc1F)F 2230a_100000225621_100000748237 [0,2,0,0,0,0|2,0,0]=4 10518 B13R1.2679 CCN(C)Cc1ccc(cc1F)F 269982a_100000207661_100000204670 [0,2,0,0,0,0|2,0,0]=4 10519 B13R1.2679 CCN(C)Cc1ccc(cc1F)F 269982a_100000225621_100000748237 [0,2,0,0,0,0|2,0,0]=4 10520 B13R1.2679 CCN(C)Cc1ccc(cc1F)F 34a_100000207661_100000210202 [0,2,0,0,0,0|2,0,0]=4 10521 B13R1.2679 CCN(C)Cc1ccc(cc1F)I 2230a_100000225621_100010244991 [0,2,0,0,0,0|2,0,0]=4 10522 B13R1.2679 CCN(C)Cc1ccc(cc1F)I 269982a_100000225621_100010244991 [0,2,0,0,0,0|2,0,0]=4 10523 B13R1.2679 CCN(C)Cc1ccc(cc1I)Br 2230a_100000225621_100010146615 [0,2,0,0,0,0|2,0,0]=4 10524 B13R1.2679 CCN(C)Cc1ccc(cc1I)Br 269982a_100000225621_100010146615 [0,2,0,0,0,0|2,0,0]=4 10525 B13R1.2679 CCN(C)Cc1ccc(cc1I)Br 26a_100000225621_100012355227 [0,2,0,0,0,0|2,0,0]=4 10526 B13R1.2679 CCN(C)Cc1ccc(cc1I)Cl 2230a_100000225621_100010254388 [0,2,0,0,0,0|2,0,0]=4 10527 B13R1.2679 CCN(C)Cc1ccc(cc1I)Cl 269982a_100000225621_100010254388 [0,2,0,0,0,0|2,0,0]=4 10528 B13R1.2679 CCN(C)Cc1ccc(cc1I)F 2230a_100000225621_100012354799 [0,2,0,0,0,0|2,0,0]=4 10529 B13R1.2679 CCN(C)Cc1ccc(cc1I)F 269982a_100000225621_100012354799 [0,2,0,0,0,0|2,0,0]=4 10530 B13R1.2679 CCN([13CH3])Cc1ccc(cc1Cl)Cl 2230a_100000186925_200025704644 [0,2,0,0,0,0|2,0,0]=4 10531 B13R1.2679 CCN([13CH3])Cc1ccc(cc1Cl)Cl 269982a_100000186925_200025704644 [0,2,0,0,0,0|2,0,0]=4 10532 B13R1.2679 CCN([13CH3])Cc1ccc(cc1Cl)Cl 34a_100000186925_200025704644 [0,2,0,0,0,0|2,0,0]=4 10533 B13R1.2679 CNC(=O)Cc1ccc(cc1Br)Br 11a_106832991635_100010172832 [0,2,0,0,0,0|1,0,1]=4 10534 B13R1.2679 CNC(=O)Cc1ccc(cc1Br)Br 240690a_100102657272_100010172832 [0,2,0,0,0,0|1,0,1]=4 10535 B13R1.2679 CNC(=O)Cc1ccc(cc1Br)Br 527a_100102657272_100010172832 [0,2,0,0,0,0|1,0,1]=4 10536 B13R1.2679 CNC(=O)Cc1ccc(cc1Br)Cl 11a_106832991635_100000755479 [0,2,0,0,0,0|1,0,1]=4 10537 B13R1.2679 CNC(=O)Cc1ccc(cc1Br)Cl 1626a_100102657272_100000755479 [0,2,0,0,0,0|1,0,1]=4 10538 B13R1.2679 CNC(=O)Cc1ccc(cc1Br)Cl 240690a_100102657272_100000755479 [0,2,0,0,0,0|1,0,1]=4 10539 B13R1.2679 CNC(=O)Cc1ccc(cc1Br)Cl 527a_100102657272_100000755479 [0,2,0,0,0,0|1,0,1]=4 10540 B13R1.2679 CNC(=O)Cc1ccc(cc1Br)F 11a_106832991635_100000708238 [0,2,0,0,0,0|1,0,1]=4 10541 B13R1.2679 CNC(=O)Cc1ccc(cc1Br)F 1626a_100102657272_100000708238 [0,2,0,0,0,0|1,0,1]=4 10542 B13R1.2679 CNC(=O)Cc1ccc(cc1Br)F 240690a_100102657272_100000708238 [0,2,0,0,0,0|1,0,1]=4 10543 B13R1.2679 CNC(=O)Cc1ccc(cc1Br)F 527a_100102657272_100000708238 [0,2,0,0,0,0|1,0,1]=4 10544 B13R1.2679 CNC(=O)Cc1ccc(cc1Br)O 240690a_100102657272_100010176083 [0,2,0,0,0,0|1,0,1]=4 10545 B13R1.2679 CNC(=O)Cc1ccc(cc1Br)O 527a_100102657272_100010176083 [0,2,0,0,0,0|1,0,1]=4 10546 B13R1.2679 CNC(=O)Cc1ccc(cc1C)Br 11a_106832991635_100000697930 [0,2,0,0,0,0|1,0,1]=4 10547 B13R1.2679 CNC(=O)Cc1ccc(cc1C)Br 1626a_100102657272_100000697930 [0,2,0,0,0,0|1,0,1]=4 10548 B13R1.2679 CNC(=O)Cc1ccc(cc1C)Br 240690a_100102657272_100000697930 [0,2,0,0,0,0|1,0,1]=4 10549 B13R1.2679 CNC(=O)Cc1ccc(cc1C)Br 527a_100102657272_100000697930 [0,2,0,0,0,0|1,0,1]=4 10550 B13R1.2679 CNC(=O)Cc1ccc(cc1C)C 11a_106832991635_100011236500 [0,2,0,0,0,0|1,0,1]=4 10551 B13R1.2679 CNC(=O)Cc1ccc(cc1C)C 1626a_100102657272_100011236500 [0,2,0,0,0,0|1,0,1]=4 10552 B13R1.2679 CNC(=O)Cc1ccc(cc1C)C 240690a_100102657272_100011236500 [0,2,0,0,0,0|1,0,1]=4 10553 B13R1.2679 CNC(=O)Cc1ccc(cc1C)C 527a_100102657272_100011236500 [0,2,0,0,0,0|1,0,1]=4 10554 B13R1.2679 CNC(=O)Cc1ccc(cc1C)F 11a_106832991635_100011667441 [0,2,0,0,0,0|1,0,1]=4 10555 B13R1.2679 CNC(=O)Cc1ccc(cc1C)F 1626a_100102657272_100011667441 [0,2,0,0,0,0|1,0,1]=4 10556 B13R1.2679 CNC(=O)Cc1ccc(cc1C)F 240690a_100102657272_100011667441 [0,2,0,0,0,0|1,0,1]=4 10557 B13R1.2679 CNC(=O)Cc1ccc(cc1C)F 527a_100102657272_100011667441 [0,2,0,0,0,0|1,0,1]=4 10558 B13R1.2679 CNC(=O)Cc1ccc(cc1Cl)Br 11a_106832991635_100012361378 [0,2,0,0,0,0|1,0,1]=4 10559 B13R1.2679 CNC(=O)Cc1ccc(cc1Cl)Br 1626a_100102657272_100012361378 [0,2,0,0,0,0|1,0,1]=4 10560 B13R1.2679 CNC(=O)Cc1ccc(cc1Cl)Br 240690a_100102657272_100012361378 [0,2,0,0,0,0|1,0,1]=4 10561 B13R1.2679 CNC(=O)Cc1ccc(cc1Cl)Br 527a_100102657272_100012361378 [0,2,0,0,0,0|1,0,1]=4 10562 B13R1.2679 CNC(=O)Cc1ccc(cc1Cl)Cl 11a_106832991635_100000210926 [0,2,0,0,0,0|1,0,1]=4 10563 B13R1.2679 CNC(=O)Cc1ccc(cc1Cl)Cl 1626a_100102657272_100000210926 [0,2,0,0,0,0|1,0,1]=4 10564 B13R1.2679 CNC(=O)Cc1ccc(cc1Cl)Cl 240690a_100102657272_100000210926 [0,2,0,0,0,0|1,0,1]=4 10565 B13R1.2679 CNC(=O)Cc1ccc(cc1Cl)Cl 527a_100102657272_100000210926 [0,2,0,0,0,0|1,0,1]=4 10566 B13R1.2679 CNC(=O)Cc1ccc(cc1Cl)F 11a_106832991635_100000690284 [0,2,0,0,0,0|1,0,1]=4 10567 B13R1.2679 CNC(=O)Cc1ccc(cc1Cl)F 1626a_100102657272_100000690284 [0,2,0,0,0,0|1,0,1]=4 10568 B13R1.2679 CNC(=O)Cc1ccc(cc1Cl)F 240690a_100102657272_100000690284 [0,2,0,0,0,0|1,0,1]=4 10569 B13R1.2679 CNC(=O)Cc1ccc(cc1Cl)F 527a_100102657272_100000690284 [0,2,0,0,0,0|1,0,1]=4 10570 B13R1.2679 CNC(=O)Cc1ccc(cc1F)Br 11a_106832991635_100011295475 [0,2,0,0,0,0|1,0,1]=4 10571 B13R1.2679 CNC(=O)Cc1ccc(cc1F)Br 1626a_100102657272_100011295475 [0,2,0,0,0,0|1,0,1]=4 10572 B13R1.2679 CNC(=O)Cc1ccc(cc1F)Br 240690a_100102657272_100011295475 [0,2,0,0,0,0|1,0,1]=4 10573 B13R1.2679 CNC(=O)Cc1ccc(cc1F)Br 527a_100102657272_100011295475 [0,2,0,0,0,0|1,0,1]=4 10574 B13R1.2679 CNC(=O)Cc1ccc(cc1F)C 11a_106832991635_100000042674 [0,2,0,0,0,0|1,0,1]=4 10575 B13R1.2679 CNC(=O)Cc1ccc(cc1F)C 1626a_100102657272_100000042674 [0,2,0,0,0,0|1,0,1]=4 10576 B13R1.2679 CNC(=O)Cc1ccc(cc1F)C 240690a_100102657272_100000042674 [0,2,0,0,0,0|1,0,1]=4 10577 B13R1.2679 CNC(=O)Cc1ccc(cc1F)C 527a_100102657272_100000042674 [0,2,0,0,0,0|1,0,1]=4 10578 B13R1.2679 CNC(=O)Cc1ccc(cc1F)Cl 11a_106832991635_100011830378 [0,2,0,0,0,0|1,0,1]=4 10579 B13R1.2679 CNC(=O)Cc1ccc(cc1F)Cl 1626a_100102657272_100011830378 [0,2,0,0,0,0|1,0,1]=4 10580 B13R1.2679 CNC(=O)Cc1ccc(cc1F)Cl 240690a_100102657272_100011830378 [0,2,0,0,0,0|1,0,1]=4 10581 B13R1.2679 CNC(=O)Cc1ccc(cc1F)Cl 527a_100102657272_100011830378 [0,2,0,0,0,0|1,0,1]=4 10582 B13R1.2679 CNC(=O)Cc1ccc(cc1F)F 11a_106832991635_100000684719 [0,2,0,0,0,0|1,0,1]=4 10583 B13R1.2679 CNC(=O)Cc1ccc(cc1F)F 1626a_100102657272_100000684719 [0,2,0,0,0,0|1,0,1]=4 10584 B13R1.2679 CNC(=O)Cc1ccc(cc1F)F 240690a_100102657272_100000684719 [0,2,0,0,0,0|1,0,1]=4 10585 B13R1.2679 CNC(=O)Cc1ccc(cc1F)F 527a_100102657272_100000684719 [0,2,0,0,0,0|1,0,1]=4 10586 B13R1.2679 CNC(=O)Cc1ccc(cc1F)I 11a_106832991635_100010149628 [0,2,0,0,0,0|1,0,1]=4 10587 B13R1.2679 CNC(=O)Cc1ccc(cc1F)I 1626a_100102657272_100010149628 [0,2,0,0,0,0|1,0,1]=4 10588 B13R1.2679 CNC(=O)Cc1ccc(cc1F)I 240690a_100102657272_100010149628 [0,2,0,0,0,0|1,0,1]=4 10589 B13R1.2679 CNC(=O)Cc1ccc(cc1F)I 527a_100102657272_100010149628 [0,2,0,0,0,0|1,0,1]=4 10590 B13R1.2679 CNC(=O)Cc1ccc(cc1F)O 240690a_100102657272_100000090534 [0,2,0,0,0,0|1,0,1]=4 10591 B13R1.2679 CNC(=O)Cc1ccc(cc1F)O 527a_100102657272_100000090534 [0,2,0,0,0,0|1,0,1]=4 10592 B13R1.2679 CNC(=O)Cc1ccc(cc1O)Br 240690a_100102657272_100000707504 [0,2,0,0,0,0|1,0,1]=4 10593 B13R1.2679 CNC(C)Cc1ccc(cc1Br)Cl 270004a_106832991635_200010078464 [0,2,0,0,0,0|0,0,0]=2 10594 B13R1.2679 CNC(C)Cc1ccc(cc1C)C 270004a_106832991635_200000075425 [0,2,0,0,0,0|0,0,0]=2 10595 B13R1.2679 CNC(C)Cc1ccc(cc1Cl)Cl 270004a_106832991635_200011350722 [0,2,0,0,0,0|0,0,0]=2 10596 B13R1.2679 CNC(C)Cc1ccc(cc1Cl)O 270004a_106832991635_200000084595 [0,2,0,0,0,0|0,0,0]=2 10597 B13R1.2679 CNC(C)Cc1ccc(cc1F)F 270004a_106832991635_100011622162 [0,2,0,0,0,0|0,0,0]=2 10598 B13R1.2679 COC(C)Sc1ccc(cc1Br)Br 62a_100009879195_100011484698 [0,2,0,0,0,0|2,0,0]=4 10599 B13R1.2679 COC(C)Sc1ccc(cc1Br)Br 62a_100011484698_100009879195 [0,2,0,0,0,0|2,0,0]=4 10600 B13R1.2679 COC(C)Sc1ccc(cc1Br)C 62a_100009813563_100009879195 [0,2,0,0,0,0|2,0,0]=4 10601 B13R1.2679 COC(C)Sc1ccc(cc1Br)C 62a_100009879195_100009813563 [0,2,0,0,0,0|2,0,0]=4 10602 B13R1.2679 COC(C)Sc1ccc(cc1Br)Cl 62a_100009879195_100011219703 [0,2,0,0,0,0|2,0,0]=4 10603 B13R1.2679 COC(C)Sc1ccc(cc1Br)Cl 62a_100011219703_100009879195 [0,2,0,0,0,0|2,0,0]=4 10604 B13R1.2679 COC(C)Sc1ccc(cc1Br)F 62a_100009879195_100011217111 [0,2,0,0,0,0|2,0,0]=4 10605 B13R1.2679 COC(C)Sc1ccc(cc1Br)F 62a_100011217111_100009879195 [0,2,0,0,0,0|2,0,0]=4 10606 B13R1.2679 COC(C)Sc1ccc(cc1Br)N 62a_100000750458_100009879195 [0,2,0,0,0,0|2,0,0]=4 10607 B13R1.2679 COC(C)Sc1ccc(cc1Br)N 62a_100009879195_100000750458 [0,2,0,0,0,0|2,0,0]=4 10608 B13R1.2679 COC(C)Sc1ccc(cc1Br)O 62a_100000701344_100009879195 [0,2,0,0,0,0|2,0,0]=4 10609 B13R1.2679 COC(C)Sc1ccc(cc1Br)O 62a_100009879195_100000701344 [0,2,0,0,0,0|2,0,0]=4 10610 B13R1.2679 COC(C)Sc1ccc(cc1C)Br 62a_100000701812_100009879195 [0,2,0,0,0,0|2,0,0]=4 10611 B13R1.2679 COC(C)Sc1ccc(cc1C)Br 62a_100009879195_100000701812 [0,2,0,0,0,0|2,0,0]=4 10612 B13R1.2679 COC(C)Sc1ccc(cc1C)C 62a_100009879195_100011217332 [0,2,0,0,0,0|2,0,0]=4 10613 B13R1.2679 COC(C)Sc1ccc(cc1C)C 62a_100011217332_100009879195 [0,2,0,0,0,0|2,0,0]=4 10614 B13R1.2679 COC(C)Sc1ccc(cc1C)Cl 62a_100009879195_100011219607 [0,2,0,0,0,0|2,0,0]=4 10615 B13R1.2679 COC(C)Sc1ccc(cc1C)Cl 62a_100011219607_100009879195 [0,2,0,0,0,0|2,0,0]=4 10616 B13R1.2679 COC(C)Sc1ccc(cc1C)F 62a_100009879195_100011205405 [0,2,0,0,0,0|2,0,0]=4 10617 B13R1.2679 COC(C)Sc1ccc(cc1C)F 62a_100011205405_100009879195 [0,2,0,0,0,0|2,0,0]=4 10618 B13R1.2679 COC(C)Sc1ccc(cc1C)N 62a_100000210723_100009879195 [0,2,0,0,0,0|2,0,0]=4 10619 B13R1.2679 COC(C)Sc1ccc(cc1C)N 62a_100009879195_100000210723 [0,2,0,0,0,0|2,0,0]=4 10620 B13R1.2679 COC(C)Sc1ccc(cc1C)O 62a_100009879195_100000690111 [0,2,0,0,0,0|2,0,0]=4 10621 B13R1.2679 COC(C)Sc1ccc(cc1Cl)Br 62a_100009879195_100011216062 [0,2,0,0,0,0|2,0,0]=4 10622 B13R1.2679 COC(C)Sc1ccc(cc1Cl)Br 62a_100011216062_100009879195 [0,2,0,0,0,0|2,0,0]=4 10623 B13R1.2679 COC(C)Sc1ccc(cc1Cl)C 62a_100009879195_100011263221 [0,2,0,0,0,0|2,0,0]=4 10624 B13R1.2679 COC(C)Sc1ccc(cc1Cl)C 62a_100011263221_100009879195 [0,2,0,0,0,0|2,0,0]=4 10625 B13R1.2679 COC(C)Sc1ccc(cc1Cl)Cl 62a_100000699841_100009879195 [0,2,0,0,0,0|2,0,0]=4 10626 B13R1.2679 COC(C)Sc1ccc(cc1Cl)Cl 62a_100009879195_100000699841 [0,2,0,0,0,0|2,0,0]=4 10627 B13R1.2679 COC(C)Sc1ccc(cc1Cl)F 62a_100000733362_100009879195 [0,2,0,0,0,0|2,0,0]=4 10628 B13R1.2679 COC(C)Sc1ccc(cc1Cl)F 62a_100009879195_100000733362 [0,2,0,0,0,0|2,0,0]=4 10629 B13R1.2679 COC(C)Sc1ccc(cc1Cl)N 62a_100000761885_100009879195 [0,2,0,0,0,0|2,0,0]=4 10630 B13R1.2679 COC(C)Sc1ccc(cc1Cl)N 62a_100009879195_100000761885 [0,2,0,0,0,0|2,0,0]=4 10631 B13R1.2679 COC(C)Sc1ccc(cc1Cl)O 62a_100000047559_100009879195 [0,2,0,0,0,0|2,0,0]=4 10632 B13R1.2679 COC(C)Sc1ccc(cc1Cl)O 62a_100009879195_100000047559 [0,2,0,0,0,0|2,0,0]=4 10633 B13R1.2679 COC(C)Sc1ccc(cc1F)Br 62a_100009814013_100009879195 [0,2,0,0,0,0|2,0,0]=4 10634 B13R1.2679 COC(C)Sc1ccc(cc1F)Br 62a_100009879195_100009814013 [0,2,0,0,0,0|2,0,0]=4 10635 B13R1.2679 COC(C)Sc1ccc(cc1F)C 62a_100009879195_100011216119 [0,2,0,0,0,0|2,0,0]=4 10636 B13R1.2679 COC(C)Sc1ccc(cc1F)C 62a_100011216119_100009879195 [0,2,0,0,0,0|2,0,0]=4 10637 B13R1.2679 COC(C)Sc1ccc(cc1F)Cl 62a_100009879195_100011216042 [0,2,0,0,0,0|2,0,0]=4 10638 B13R1.2679 COC(C)Sc1ccc(cc1F)Cl 62a_100011216042_100009879195 [0,2,0,0,0,0|2,0,0]=4 10639 B13R1.2679 COC(C)Sc1ccc(cc1F)F 62a_100000750030_100009879195 [0,2,0,0,0,0|2,0,0]=4 10640 B13R1.2679 COC(C)Sc1ccc(cc1F)F 62a_100009879195_100000750030 [0,2,0,0,0,0|2,0,0]=4 10641 B13R1.2679 COC(C)Sc1ccc(cc1F)N 62a_100009879195_100011356925 [0,2,0,0,0,0|2,0,0]=4 10642 B13R1.2679 COC(C)Sc1ccc(cc1F)N 62a_100011356925_100009879195 [0,2,0,0,0,0|2,0,0]=4 10643 B13R1.2679 COC(C)Sc1ccc(cc1F)O 62a_100000755031_100009879195 [0,2,0,0,0,0|2,0,0]=4 10644 B13R1.2679 COC(C)Sc1ccc(cc1F)O 62a_100009879195_100000755031 [0,2,0,0,0,0|2,0,0]=4 10645 B13R1.2679 COC(C)Sc1ccc(cc1N)Br 62a_100000743836_100009879195 [0,2,0,0,0,0|2,0,0]=4 10646 B13R1.2679 COC(C)Sc1ccc(cc1N)Br 62a_100009879195_100000743836 [0,2,0,0,0,0|2,0,0]=4 10647 B13R1.2679 COC(C)Sc1ccc(cc1N)C 62a_100009879195_100011216686 [0,2,0,0,0,0|2,0,0]=4 10648 B13R1.2679 COC(C)Sc1ccc(cc1N)C 62a_100011216686_100009879195 [0,2,0,0,0,0|2,0,0]=4 10649 B13R1.2679 COC(C)Sc1ccc(cc1N)Cl 62a_100000761886_100009879195 [0,2,0,0,0,0|2,0,0]=4 10650 B13R1.2679 COC(C)Sc1ccc(cc1N)Cl 62a_100009879195_100000761886 [0,2,0,0,0,0|2,0,0]=4 10651 B13R1.2679 COC(C)Sc1ccc(cc1N)F 62a_100000687223_100009879195 [0,2,0,0,0,0|2,0,0]=4 10652 B13R1.2679 COC(C)Sc1ccc(cc1N)F 62a_100009879195_100000687223 [0,2,0,0,0,0|2,0,0]=4 10653 B13R1.2679 COC(C)Sc1ccc(cc1N)N 62a_100009879195_200012175722 [0,2,0,0,0,0|2,0,0]=4 10654 B13R1.2679 COC(C)Sc1ccc(cc1N)N 62a_200012175722_100009879195 [0,2,0,0,0,0|2,0,0]=4 10655 B13R1.2679 COC(C)Sc1ccc(cc1N)O 62a_100009879195_100011999798 [0,2,0,0,0,0|2,0,0]=4 10656 B13R1.2679 COC(C)Sc1ccc(cc1N)O 62a_100011999798_100009879195 [0,2,0,0,0,0|2,0,0]=4 10657 B13R1.2679 COC(C)Sc1ccc(cc1O)Br 62a_100009879195_100012344904 [0,2,0,0,0,0|2,0,0]=4 10658 B13R1.2679 COC(C)Sc1ccc(cc1O)Br 62a_100012344904_100009879195 [0,2,0,0,0,0|2,0,0]=4 10659 B13R1.2679 COC(C)Sc1ccc(cc1O)C 62a_100009879195_100012002257 [0,2,0,0,0,0|2,0,0]=4 10660 B13R1.2679 COC(C)Sc1ccc(cc1O)C 62a_100012002257_100009879195 [0,2,0,0,0,0|2,0,0]=4 10661 B13R1.2679 COC(C)Sc1ccc(cc1O)Cl 62a_100000050036_100009879195 [0,2,0,0,0,0|2,0,0]=4 10662 B13R1.2679 COC(C)Sc1ccc(cc1O)Cl 62a_100009879195_100000050036 [0,2,0,0,0,0|2,0,0]=4 10663 B13R1.2679 COC(C)Sc1ccc(cc1O)F 62a_100000690578_100009879195 [0,2,0,0,0,0|2,0,0]=4 10664 B13R1.2679 COC(C)Sc1ccc(cc1O)F 62a_100009879195_100000690578 [0,2,0,0,0,0|2,0,0]=4 10665 B13R1.2679 COC(C)Sc1ccc(cc1O)O 62a_100009879195_100009813921 [0,2,0,0,0,0|2,0,0]=4 10666 B13R1.2879 CCC(C)Nc1ccc(c(c1)Br)Br 2230a_100011306057_100000758301 [0,2,0,0,0,0|2,0,0]=4 10667 B13R1.2879 CCC(C)Nc1ccc(c(c1)Br)Br 34a_100011306057_100011215416 [0,2,0,0,0,0|2,0,0]=4 10668 B13R1.2879 CCC(C)Nc1ccc(c(c1)Br)Br 7a_100011306057_100000758301 [0,2,0,0,0,0|2,0,0]=4 10669 B13R1.2879 CCC(C)Nc1ccc(c(c1)Br)C 2230a_100000736455_100000758301 [0,2,0,0,0,0|2,0,0]=4 10670 B13R1.2879 CCC(C)Nc1ccc(c(c1)Br)C 34a_100000736455_100011215416 [0,2,0,0,0,0|2,0,0]=4 10671 B13R1.2879 CCC(C)Nc1ccc(c(c1)Br)C 7a_100000736455_100000758301 [0,2,0,0,0,0|2,0,0]=4 10672 B13R1.2879 CCC(C)Nc1ccc(c(c1)Br)Cl 2230a_100000686031_100000758301 [0,2,0,0,0,0|2,0,0]=4 10673 B13R1.2879 CCC(C)Nc1ccc(c(c1)Br)Cl 34a_100000686031_100011215416 [0,2,0,0,0,0|2,0,0]=4 10674 B13R1.2879 CCC(C)Nc1ccc(c(c1)Br)F 2230a_100000760356_100000758301 [0,2,0,0,0,0|2,0,0]=4 10675 B13R1.2879 CCC(C)Nc1ccc(c(c1)Br)F 34a_100000760356_100011215416 [0,2,0,0,0,0|2,0,0]=4 10676 B13R1.2879 CCC(C)Nc1ccc(c(c1)Br)F 7a_100000760356_100000758301 [0,2,0,0,0,0|2,0,0]=4 10677 B13R1.2879 CCC(C)Nc1ccc(c(c1)Br)I 34a_100000750458_100011215416 [0,2,0,0,0,0|2,0,0]=4 10678 B13R1.2879 CCC(C)Nc1ccc(c(c1)Br)O 34a_100011534360_100011215416 [0,2,0,0,0,0|2,0,0]=4 10679 B13R1.2879 CCC(C)Nc1ccc(c(c1)C)Br 2230a_100000210723_100000758301 [0,2,0,0,0,0|2,0,0]=4 10680 B13R1.2879 CCC(C)Nc1ccc(c(c1)C)Br 34a_100000210723_100011215416 [0,2,0,0,0,0|2,0,0]=4 10681 B13R1.2879 CCC(C)Nc1ccc(c(c1)C)Br 7a_100000210723_100000758301 [0,2,0,0,0,0|2,0,0]=4 10682 B13R1.2879 CCC(C)Nc1ccc(c(c1)C)C 2230a_100000724040_100000758301 [0,2,0,0,0,0|2,0,0]=4 10683 B13R1.2879 CCC(C)Nc1ccc(c(c1)C)C 34a_100000724040_100011215416 [0,2,0,0,0,0|2,0,0]=4 10684 B13R1.2879 CCC(C)Nc1ccc(c(c1)C)C 7a_100000724040_100000758301 [0,2,0,0,0,0|2,0,0]=4 10685 B13R1.2879 CCC(C)Nc1ccc(c(c1)C)Cl 2230a_100000187808_100000758301 [0,2,0,0,0,0|2,0,0]=4 10686 B13R1.2879 CCC(C)Nc1ccc(c(c1)C)Cl 34a_100000187808_100011215416 [0,2,0,0,0,0|2,0,0]=4 10687 B13R1.2879 CCC(C)Nc1ccc(c(c1)C)Cl 7a_100000187808_100000758301 [0,2,0,0,0,0|2,0,0]=4 10688 B13R1.2879 CCC(C)Nc1ccc(c(c1)C)F 2230a_100000750164_100000758301 [0,2,0,0,0,0|2,0,0]=4 10689 B13R1.2879 CCC(C)Nc1ccc(c(c1)C)F 34a_100000750164_100011215416 [0,2,0,0,0,0|2,0,0]=4 10690 B13R1.2879 CCC(C)Nc1ccc(c(c1)C)F 7a_100000750164_100000758301 [0,2,0,0,0,0|2,0,0]=4 10691 B13R1.2879 CCC(C)Nc1ccc(c(c1)C)I 34a_100000198070_100011215416 [0,2,0,0,0,0|2,0,0]=4 10692 B13R1.2879 CCC(C)Nc1ccc(c(c1)C)I 7a_100000198070_100000758301 [0,2,0,0,0,0|2,0,0]=4 10693 B13R1.2879 CCC(C)Nc1ccc(c(c1)C)O 34a_100011218179_100011215416 [0,2,0,0,0,0|2,0,0]=4 10694 B13R1.2879 CCC(C)Nc1ccc(c(c1)C)O 7a_100011218179_100000758301 [0,2,0,0,0,0|2,0,0]=4 10695 B13R1.2879 CCC(C)Nc1ccc(c(c1)Cl)Br 2230a_100000687081_100000758301 [0,2,0,0,0,0|2,0,0]=4 10696 B13R1.2879 CCC(C)Nc1ccc(c(c1)Cl)Br 34a_100000687081_100011215416 [0,2,0,0,0,0|2,0,0]=4 10697 B13R1.2879 CCC(C)Nc1ccc(c(c1)Cl)Br 7a_100000687081_100000758301 [0,2,0,0,0,0|2,0,0]=4 10698 B13R1.2879 CCC(C)Nc1ccc(c(c1)Cl)C 2230a_100000188892_100000758301 [0,2,0,0,0,0|2,0,0]=4 10699 B13R1.2879 CCC(C)Nc1ccc(c(c1)Cl)C 34a_100000188892_100011215416 [0,2,0,0,0,0|2,0,0]=4 10700 B13R1.2879 CCC(C)Nc1ccc(c(c1)Cl)C 7a_100000188892_100000758301 [0,2,0,0,0,0|2,0,0]=4 10701 B13R1.2879 CCC(C)Nc1ccc(c(c1)Cl)Cl 2230a_100000184108_100000758301 [0,2,0,0,0,0|2,0,0]=4 10702 B13R1.2879 CCC(C)Nc1ccc(c(c1)Cl)Cl 34a_100000184108_100011215416 [0,2,0,0,0,0|2,0,0]=4 10703 B13R1.2879 CCC(C)Nc1ccc(c(c1)Cl)F 2230a_100000211060_100000758301 [0,2,0,0,0,0|2,0,0]=4 10704 B13R1.2879 CCC(C)Nc1ccc(c(c1)Cl)F 34a_100000211060_100011215416 [0,2,0,0,0,0|2,0,0]=4 10705 B13R1.2879 CCC(C)Nc1ccc(c(c1)Cl)F 7a_100000211060_100000758301 [0,2,0,0,0,0|2,0,0]=4 10706 B13R1.2879 CCC(C)Nc1ccc(c(c1)Cl)I 34a_100000761885_100011215416 [0,2,0,0,0,0|2,0,0]=4 10707 B13R1.2879 CCC(C)Nc1ccc(c(c1)Cl)O 34a_100000744943_100011215416 [0,2,0,0,0,0|2,0,0]=4 10708 B13R1.2879 CCC(C)Nc1ccc(c(c1)F)Br 2230a_100000759894_100000758301 [0,2,0,0,0,0|2,0,0]=4 10709 B13R1.2879 CCC(C)Nc1ccc(c(c1)F)Br 34a_100000759894_100011215416 [0,2,0,0,0,0|2,0,0]=4 10710 B13R1.2879 CCC(C)Nc1ccc(c(c1)F)Br 7a_100000759894_100000758301 [0,2,0,0,0,0|2,0,0]=4 10711 B13R1.2879 CCC(C)Nc1ccc(c(c1)F)C 2230a_100000210958_100000758301 [0,2,0,0,0,0|2,0,0]=4 10712 B13R1.2879 CCC(C)Nc1ccc(c(c1)F)C 34a_100000210958_100011215416 [0,2,0,0,0,0|2,0,0]=4 10713 B13R1.2879 CCC(C)Nc1ccc(c(c1)F)C 7a_100000210958_100000758301 [0,2,0,0,0,0|2,0,0]=4 10714 B13R1.2879 CCC(C)Nc1ccc(c(c1)F)Cl 2230a_100000739366_100000758301 [0,2,0,0,0,0|2,0,0]=4 10715 B13R1.2879 CCC(C)Nc1ccc(c(c1)F)Cl 34a_100000739366_100011215416 [0,2,0,0,0,0|2,0,0]=4 10716 B13R1.2879 CCC(C)Nc1ccc(c(c1)F)Cl 7a_100000739366_100000758301 [0,2,0,0,0,0|2,0,0]=4 10717 B13R1.2879 CCC(C)Nc1ccc(c(c1)F)F 2230a_100000210724_100000758301 [0,2,0,0,0,0|2,0,0]=4 10718 B13R1.2879 CCC(C)Nc1ccc(c(c1)F)F 34a_100000210724_100011215416 [0,2,0,0,0,0|2,0,0]=4 10719 B13R1.2879 CCC(C)Nc1ccc(c(c1)F)F 7a_100000210724_100000758301 [0,2,0,0,0,0|2,0,0]=4 10720 B13R1.2879 CCC(C)Nc1ccc(c(c1)F)I 34a_100011356925_100011215416 [0,2,0,0,0,0|2,0,0]=4 10721 B13R1.2879 CCC(C)Nc1ccc(c(c1)F)I 7a_100011356925_100000758301 [0,2,0,0,0,0|2,0,0]=4 10722 B13R1.2879 CCC(C)Nc1ccc(c(c1)F)O 34a_100011220035_100011215416 [0,2,0,0,0,0|2,0,0]=4 10723 B13R1.2879 CCC(C)Nc1ccc(c(c1)F)O 7a_100011220035_100000758301 [0,2,0,0,0,0|2,0,0]=4 10724 B13R1.2879 CCC(C)Nc1ccc(c(c1)I)Br 34a_100000750459_100011215416 [0,2,0,0,0,0|2,0,0]=4 10725 B13R1.2879 CCC(C)Nc1ccc(c(c1)I)C 34a_100000184131_100011215416 [0,2,0,0,0,0|2,0,0]=4 10726 B13R1.2879 CCC(C)Nc1ccc(c(c1)I)C 7a_100000184131_100000758301 [0,2,0,0,0,0|2,0,0]=4 10727 B13R1.2879 CCC(C)Nc1ccc(c(c1)I)Cl 34a_100012360549_100011215416 [0,2,0,0,0,0|2,0,0]=4 10728 B13R1.2879 CCC(C)Nc1ccc(c(c1)I)F 34a_114828291077_100011215416 [0,2,0,0,0,0|2,0,0]=4 10729 B13R1.2879 CCC(C)Nc1ccc(c(c1)I)F 7a_114828291077_100000758301 [0,2,0,0,0,0|2,0,0]=4 10730 B13R1.2879 CCC(C)Nc1ccc(c(c1)O)C 34a_100000759471_100011215416 [0,2,0,0,0,0|2,0,0]=4 10731 B13R1.2879 CCC(C)Nc1ccc(c(c1)O)C 7a_100000759471_100000758301 [0,2,0,0,0,0|2,0,0]=4 10732 B13R1.2879 CCC(C)Nc1ccc(c(c1)O)Cl 34a_100011934209_100011215416 [0,2,0,0,0,0|2,0,0]=4 10733 B13R1.2879 CCC(C)Nc1ccc(c(c1)O)F 34a_100012017398_100011215416 [0,2,0,0,0,0|2,0,0]=4 10734 B13R1.2879 CCC(C)Nc1ccc(c(c1)O)F 7a_100012017398_100000758301 [0,2,0,0,0,0|2,0,0]=4 10735 B13R1.2879 CCC(C)Nc1ccc(c(c1)O)O 34a_100102946323_100011215416 [0,2,0,0,0,0|2,0,0]=4 10736 B13R1.2879 CCC(C)Oc1ccc(c(c1)Br)C 34a_100011380479_100011215416 [0,2,0,0,0,0|2,0,0]=4 10737 B13R1.2879 CCC(C)Oc1ccc(c(c1)Br)C 7a_100011380479_100000758301 [0,2,0,0,0,0|2,0,0]=4 10738 B13R1.2879 CCC(C)Oc1ccc(c(c1)Br)Cl 34a_100011933957_100011215416 [0,2,0,0,0,0|2,0,0]=4 10739 B13R1.2879 CCC(C)Oc1ccc(c(c1)Br)Cl 7a_100011933957_100000758301 [0,2,0,0,0,0|2,0,0]=4 10740 B13R1.2879 CCC(C)Oc1ccc(c(c1)Br)F 34a_100000693481_100011215416 [0,2,0,0,0,0|2,0,0]=4 10741 B13R1.2879 CCC(C)Oc1ccc(c(c1)Br)F 7a_100000693481_100000758301 [0,2,0,0,0,0|2,0,0]=4 10742 B13R1.2879 CCC(C)Oc1ccc(c(c1)Br)I 34a_100000701344_100011215416 [0,2,0,0,0,0|2,0,0]=4 10743 B13R1.2879 CCC(C)Oc1ccc(c(c1)Br)I 7a_100000701344_100000758301 [0,2,0,0,0,0|2,0,0]=4 10744 B13R1.2879 CCC(C)Oc1ccc(c(c1)Br)N 34a_100012001276_100011215416 [0,2,0,0,0,0|2,0,0]=4 10745 B13R1.2879 CCC(C)Oc1ccc(c(c1)Br)N 7a_100012001276_100000758301 [0,2,0,0,0,0|2,0,0]=4 10746 B13R1.2879 CCC(C)Oc1ccc(c(c1)C)Br 34a_100000690111_100011215416 [0,2,0,0,0,0|2,0,0]=4 10747 B13R1.2879 CCC(C)Oc1ccc(c(c1)C)Br 7a_100000690111_100000758301 [0,2,0,0,0,0|2,0,0]=4 10748 B13R1.2879 CCC(C)Oc1ccc(c(c1)C)C 34a_100000210932_100011215416 [0,2,0,0,0,0|2,0,0]=4 10749 B13R1.2879 CCC(C)Oc1ccc(c(c1)C)C 7a_100000210932_100000758301 [0,2,0,0,0,0|2,0,0]=4 10750 B13R1.2879 CCC(C)Oc1ccc(c(c1)C)Cl 34a_100000211092_100011215416 [0,2,0,0,0,0|2,0,0]=4 10751 B13R1.2879 CCC(C)Oc1ccc(c(c1)C)Cl 7a_100000211092_100000758301 [0,2,0,0,0,0|2,0,0]=4 10752 B13R1.2879 CCC(C)Oc1ccc(c(c1)C)F 34a_100000751312_100011215416 [0,2,0,0,0,0|2,0,0]=4 10753 B13R1.2879 CCC(C)Oc1ccc(c(c1)C)F 7a_100000751312_100000758301 [0,2,0,0,0,0|2,0,0]=4 10754 B13R1.2879 CCC(C)Oc1ccc(c(c1)C)I 34a_100000729255_100011215416 [0,2,0,0,0,0|2,0,0]=4 10755 B13R1.2879 CCC(C)Oc1ccc(c(c1)C)I 7a_100000729255_100000758301 [0,2,0,0,0,0|2,0,0]=4 10756 B13R1.2879 CCC(C)Oc1ccc(c(c1)C)N 34a_100000756630_100011215416 [0,2,0,0,0,0|2,0,0]=4 10757 B13R1.2879 CCC(C)Oc1ccc(c(c1)C)N 7a_100000756630_100000758301 [0,2,0,0,0,0|2,0,0]=4 10758 B13R1.2879 CCC(C)Oc1ccc(c(c1)Cl)Br 34a_100011215161_100011215416 [0,2,0,0,0,0|2,0,0]=4 10759 B13R1.2879 CCC(C)Oc1ccc(c(c1)Cl)Br 7a_100011215161_100000758301 [0,2,0,0,0,0|2,0,0]=4 10760 B13R1.2879 CCC(C)Oc1ccc(c(c1)Cl)C 34a_100011265682_100011215416 [0,2,0,0,0,0|2,0,0]=4 10761 B13R1.2879 CCC(C)Oc1ccc(c(c1)Cl)C 7a_100011265682_100000758301 [0,2,0,0,0,0|2,0,0]=4 10762 B13R1.2879 CCC(C)Oc1ccc(c(c1)Cl)Cl 34a_100000211054_100011215416 [0,2,0,0,0,0|2,0,0]=4 10763 B13R1.2879 CCC(C)Oc1ccc(c(c1)Cl)Cl 7a_100000211054_100000758301 [0,2,0,0,0,0|2,0,0]=4 10764 B13R1.2879 CCC(C)Oc1ccc(c(c1)Cl)F 34a_100000211030_100011215416 [0,2,0,0,0,0|2,0,0]=4 10765 B13R1.2879 CCC(C)Oc1ccc(c(c1)Cl)F 7a_100000211030_100000758301 [0,2,0,0,0,0|2,0,0]=4 10766 B13R1.2879 CCC(C)Oc1ccc(c(c1)Cl)I 34a_100000047559_100011215416 [0,2,0,0,0,0|2,0,0]=4 10767 B13R1.2879 CCC(C)Oc1ccc(c(c1)Cl)I 7a_100000047559_100000758301 [0,2,0,0,0,0|2,0,0]=4 10768 B13R1.2879 CCC(C)Oc1ccc(c(c1)Cl)N 34a_100011215599_100011215416 [0,2,0,0,0,0|2,0,0]=4 10769 B13R1.2879 CCC(C)Oc1ccc(c(c1)Cl)N 7a_100011215599_100000758301 [0,2,0,0,0,0|2,0,0]=4 10770 B13R1.2879 CCC(C)Oc1ccc(c(c1)F)Br 34a_100000755031_100011215416 [0,2,0,0,0,0|2,0,0]=4 10771 B13R1.2879 CCC(C)Oc1ccc(c(c1)F)Br 7a_100000755031_100000758301 [0,2,0,0,0,0|2,0,0]=4 10772 B13R1.2879 CCC(C)Oc1ccc(c(c1)F)C 34a_100000722560_100011215416 [0,2,0,0,0,0|2,0,0]=4 10773 B13R1.2879 CCC(C)Oc1ccc(c(c1)F)C 7a_100000722560_100000758301 [0,2,0,0,0,0|2,0,0]=4 10774 B13R1.2879 CCC(C)Oc1ccc(c(c1)F)Cl 34a_100000691581_100011215416 [0,2,0,0,0,0|2,0,0]=4 10775 B13R1.2879 CCC(C)Oc1ccc(c(c1)F)Cl 7a_100000691581_100000758301 [0,2,0,0,0,0|2,0,0]=4 10776 B13R1.2879 CCC(C)Oc1ccc(c(c1)F)F 34a_100000181275_100011215416 [0,2,0,0,0,0|2,0,0]=4 10777 B13R1.2879 CCC(C)Oc1ccc(c(c1)F)F 7a_100000181275_100000758301 [0,2,0,0,0,0|2,0,0]=4 10778 B13R1.2879 CCC(C)Oc1ccc(c(c1)F)I 34a_100009990212_100011215416 [0,2,0,0,0,0|2,0,0]=4 10779 B13R1.2879 CCC(C)Oc1ccc(c(c1)F)I 7a_100009990212_100000758301 [0,2,0,0,0,0|2,0,0]=4 10780 B13R1.2879 CCC(C)Oc1ccc(c(c1)F)N 34a_100000759473_100011215416 [0,2,0,0,0,0|2,0,0]=4 10781 B13R1.2879 CCC(C)Oc1ccc(c(c1)F)N 7a_100000759473_100000758301 [0,2,0,0,0,0|2,0,0]=4 10782 B13R1.2879 CCC(C)Oc1ccc(c(c1)I)Br 34a_100012339312_100011215416 [0,2,0,0,0,0|2,0,0]=4 10783 B13R1.2879 CCC(C)Oc1ccc(c(c1)I)Br 7a_100012339312_100000758301 [0,2,0,0,0,0|2,0,0]=4 10784 B13R1.2879 CCC(C)Oc1ccc(c(c1)I)Cl 34a_100000049588_100011215416 [0,2,0,0,0,0|2,0,0]=4 10785 B13R1.2879 CCC(C)Oc1ccc(c(c1)I)Cl 7a_100000049588_100000758301 [0,2,0,0,0,0|2,0,0]=4 10786 B13R1.2879 CCC(C)Oc1ccc(c(c1)I)N 34a_100010084370_100011215416 [0,2,0,0,0,0|2,0,0]=4 10787 B13R1.2879 CCC(C)Oc1ccc(c(c1)I)N 7a_100010084370_100000758301 [0,2,0,0,0,0|2,0,0]=4 10788 B13R1.2879 CCC(C)Oc1ccc(c(c1)N)Br 34a_100011999798_100011215416 [0,2,0,0,0,0|2,0,0]=4 10789 B13R1.2879 CCC(C)Oc1ccc(c(c1)N)Br 7a_100011999798_100000758301 [0,2,0,0,0,0|2,0,0]=4 10790 B13R1.2879 CCC(C)Oc1ccc(c(c1)N)C 34a_100011216113_100011215416 [0,2,0,0,0,0|2,0,0]=4 10791 B13R1.2879 CCC(C)Oc1ccc(c(c1)N)C 7a_100011216113_100000758301 [0,2,0,0,0,0|2,0,0]=4 10792 B13R1.2879 CCC(C)Oc1ccc(c(c1)N)Cl 34a_100011934297_100011215416 [0,2,0,0,0,0|2,0,0]=4 10793 B13R1.2879 CCC(C)Oc1ccc(c(c1)N)F 34a_100012017239_100011215416 [0,2,0,0,0,0|2,0,0]=4 10794 B13R1.2879 CCC(C)Oc1ccc(c(c1)N)F 7a_100012017239_100000758301 [0,2,0,0,0,0|2,0,0]=4 10795 B13R1.2879 CCC(C)Oc1ccc(c(c1)N)N 34a_100025771000_100011215416 [0,2,0,0,0,0|2,0,0]=4 10796 B13R1.2879 CCC(C)Sc1ccc(c(c1)Br)Br 62a_100000758301_100012356285 [0,2,0,0,0,0|2,0,0]=4 10797 B13R1.2879 CCC(C)Sc1ccc(c(c1)Br)Br 62a_100012356285_100000758301 [0,2,0,0,0,0|2,0,0]=4 10798 B13R1.2879 CCC(C)Sc1ccc(c(c1)Br)C 62a_100000758301_100011847877 [0,2,0,0,0,0|2,0,0]=4 10799 B13R1.2879 CCC(C)Sc1ccc(c(c1)Br)C 62a_100011847877_100000758301 [0,2,0,0,0,0|2,0,0]=4 10800 B13R1.2879 CCC(C)Sc1ccc(c(c1)Br)Cl 62a_100000758301_100012353702 [0,2,0,0,0,0|2,0,0]=4 10801 B13R1.2879 CCC(C)Sc1ccc(c(c1)Br)Cl 62a_100012353702_100000758301 [0,2,0,0,0,0|2,0,0]=4 10802 B13R1.2879 CCC(C)Sc1ccc(c(c1)Br)F 62a_100000758301_100012047266 [0,2,0,0,0,0|2,0,0]=4 10803 B13R1.2879 CCC(C)Sc1ccc(c(c1)Br)F 62a_100012047266_100000758301 [0,2,0,0,0,0|2,0,0]=4 10804 B13R1.2879 CCC(C)Sc1ccc(c(c1)Br)N 62a_100000750455_100000758301 [0,2,0,0,0,0|2,0,0]=4 10805 B13R1.2879 CCC(C)Sc1ccc(c(c1)Br)N 62a_100000758301_100000750455 [0,2,0,0,0,0|2,0,0]=4 10806 B13R1.2879 CCC(C)Sc1ccc(c(c1)Br)O 62a_100000758301_100012361655 [0,2,0,0,0,0|2,0,0]=4 10807 B13R1.2879 CCC(C)Sc1ccc(c(c1)Br)O 62a_100012361655_100000758301 [0,2,0,0,0,0|2,0,0]=4 10808 B13R1.2879 CCC(C)Sc1ccc(c(c1)C)Br 62a_100000758301_100009813585 [0,2,0,0,0,0|2,0,0]=4 10809 B13R1.2879 CCC(C)Sc1ccc(c(c1)C)Br 62a_100009813585_100000758301 [0,2,0,0,0,0|2,0,0]=4 10810 B13R1.2879 CCC(C)Sc1ccc(c(c1)C)C 62a_100000758301_100011215607 [0,2,0,0,0,0|2,0,0]=4 10811 B13R1.2879 CCC(C)Sc1ccc(c(c1)C)C 62a_100011215607_100000758301 [0,2,0,0,0,0|2,0,0]=4 10812 B13R1.2879 CCC(C)Sc1ccc(c(c1)C)Cl 62a_100000049509_100000758301 [0,2,0,0,0,0|2,0,0]=4 10813 B13R1.2879 CCC(C)Sc1ccc(c(c1)C)Cl 62a_100000758301_100000049509 [0,2,0,0,0,0|2,0,0]=4 10814 B13R1.2879 CCC(C)Sc1ccc(c(c1)C)F 62a_100000758301_100011218330 [0,2,0,0,0,0|2,0,0]=4 10815 B13R1.2879 CCC(C)Sc1ccc(c(c1)C)F 62a_100011218330_100000758301 [0,2,0,0,0,0|2,0,0]=4 10816 B13R1.2879 CCC(C)Sc1ccc(c(c1)C)N 62a_100000211769_100000758301 [0,2,0,0,0,0|2,0,0]=4 10817 B13R1.2879 CCC(C)Sc1ccc(c(c1)C)N 62a_100000758301_100000211769 [0,2,0,0,0,0|2,0,0]=4 10818 B13R1.2879 CCC(C)Sc1ccc(c(c1)C)O 62a_100000758301_100000186361 [0,2,0,0,0,0|2,0,0]=4 10819 B13R1.2879 CCC(C)Sc1ccc(c(c1)Cl)Br 62a_100000758301_100012047281 [0,2,0,0,0,0|2,0,0]=4 10820 B13R1.2879 CCC(C)Sc1ccc(c(c1)Cl)Br 62a_100012047281_100000758301 [0,2,0,0,0,0|2,0,0]=4 10821 B13R1.2879 CCC(C)Sc1ccc(c(c1)Cl)C 62a_100000758301_100011216363 [0,2,0,0,0,0|2,0,0]=4 10822 B13R1.2879 CCC(C)Sc1ccc(c(c1)Cl)C 62a_100011216363_100000758301 [0,2,0,0,0,0|2,0,0]=4 10823 B13R1.2879 CCC(C)Sc1ccc(c(c1)Cl)Cl 62a_100000758301_100011214914 [0,2,0,0,0,0|2,0,0]=4 10824 B13R1.2879 CCC(C)Sc1ccc(c(c1)Cl)Cl 62a_100011214914_100000758301 [0,2,0,0,0,0|2,0,0]=4 10825 B13R1.2879 CCC(C)Sc1ccc(c(c1)Cl)F 62a_100000758301_100011215976 [0,2,0,0,0,0|2,0,0]=4 10826 B13R1.2879 CCC(C)Sc1ccc(c(c1)Cl)F 62a_100011215976_100000758301 [0,2,0,0,0,0|2,0,0]=4 10827 B13R1.2879 CCC(C)Sc1ccc(c(c1)Cl)N 62a_100000758301_100011218065 [0,2,0,0,0,0|2,0,0]=4 10828 B13R1.2879 CCC(C)Sc1ccc(c(c1)Cl)N 62a_100011218065_100000758301 [0,2,0,0,0,0|2,0,0]=4 10829 B13R1.2879 CCC(C)Sc1ccc(c(c1)Cl)O 62a_100000758301_100012360047 [0,2,0,0,0,0|2,0,0]=4 10830 B13R1.2879 CCC(C)Sc1ccc(c(c1)Cl)O 62a_100012360047_100000758301 [0,2,0,0,0,0|2,0,0]=4 10831 B13R1.2879 CCC(C)Sc1ccc(c(c1)F)Br 62a_100000685389_100000758301 [0,2,0,0,0,0|2,0,0]=4 10832 B13R1.2879 CCC(C)Sc1ccc(c(c1)F)Br 62a_100000758301_100000685389 [0,2,0,0,0,0|2,0,0]=4 10833 B13R1.2879 CCC(C)Sc1ccc(c(c1)F)C 62a_100000720648_100000758301 [0,2,0,0,0,0|2,0,0]=4 10834 B13R1.2879 CCC(C)Sc1ccc(c(c1)F)C 62a_100000758301_100000720648 [0,2,0,0,0,0|2,0,0]=4 10835 B13R1.2879 CCC(C)Sc1ccc(c(c1)F)Cl 62a_100000758301_100011216805 [0,2,0,0,0,0|2,0,0]=4 10836 B13R1.2879 CCC(C)Sc1ccc(c(c1)F)Cl 62a_100011216805_100000758301 [0,2,0,0,0,0|2,0,0]=4 10837 B13R1.2879 CCC(C)Sc1ccc(c(c1)F)F 62a_100000703953_100000758301 [0,2,0,0,0,0|2,0,0]=4 10838 B13R1.2879 CCC(C)Sc1ccc(c(c1)F)F 62a_100000758301_100000703953 [0,2,0,0,0,0|2,0,0]=4 10839 B13R1.2879 CCC(C)Sc1ccc(c(c1)F)N 62a_100000758301_100011215594 [0,2,0,0,0,0|2,0,0]=4 10840 B13R1.2879 CCC(C)Sc1ccc(c(c1)F)N 62a_100011215594_100000758301 [0,2,0,0,0,0|2,0,0]=4 10841 B13R1.2879 CCC(C)Sc1ccc(c(c1)F)O 62a_100000185481_100000758301 [0,2,0,0,0,0|2,0,0]=4 10842 B13R1.2879 CCC(C)Sc1ccc(c(c1)F)O 62a_100000758301_100000185481 [0,2,0,0,0,0|2,0,0]=4 10843 B13R1.2879 CCC(C)Sc1ccc(c(c1)N)Br 62a_100000750456_100000758301 [0,2,0,0,0,0|2,0,0]=4 10844 B13R1.2879 CCC(C)Sc1ccc(c(c1)N)Br 62a_100000758301_100000750456 [0,2,0,0,0,0|2,0,0]=4 10845 B13R1.2879 CCC(C)Sc1ccc(c(c1)N)C 62a_100000758301_100000761890 [0,2,0,0,0,0|2,0,0]=4 10846 B13R1.2879 CCC(C)Sc1ccc(c(c1)N)C 62a_100000761890_100000758301 [0,2,0,0,0,0|2,0,0]=4 10847 B13R1.2879 CCC(C)Sc1ccc(c(c1)N)Cl 62a_100000758301_200000761891 [0,2,0,0,0,0|2,0,0]=4 10848 B13R1.2879 CCC(C)Sc1ccc(c(c1)N)Cl 62a_200000761891_100000758301 [0,2,0,0,0,0|2,0,0]=4 10849 B13R1.2879 CCC(C)Sc1ccc(c(c1)N)F 62a_100000740924_100000758301 [0,2,0,0,0,0|2,0,0]=4 10850 B13R1.2879 CCC(C)Sc1ccc(c(c1)N)F 62a_100000758301_100000740924 [0,2,0,0,0,0|2,0,0]=4 10851 B13R1.2879 CCC(C)Sc1ccc(c(c1)N)N 62a_100000741789_100000758301 [0,2,0,0,0,0|2,0,0]=4 10852 B13R1.2879 CCC(C)Sc1ccc(c(c1)N)N 62a_100000758301_100011534411 [0,2,0,0,0,0|2,0,0]=4 10853 B13R1.2879 CCC(C)Sc1ccc(c(c1)N)O 62a_100000752626_100000758301 [0,2,0,0,0,0|2,0,0]=4 10854 B13R1.2879 CCC(C)Sc1ccc(c(c1)N)O 62a_100000758301_100000752626 [0,2,0,0,0,0|2,0,0]=4 10855 B13R1.2879 CCC(C)Sc1ccc(c(c1)O)Br 62a_100000758301_100012356990 [0,2,0,0,0,0|2,0,0]=4 10856 B13R1.2879 CCC(C)Sc1ccc(c(c1)O)Br 62a_100012356990_100000758301 [0,2,0,0,0,0|2,0,0]=4 10857 B13R1.2879 CCC(C)Sc1ccc(c(c1)O)C 62a_100000685420_100000758301 [0,2,0,0,0,0|2,0,0]=4 10858 B13R1.2879 CCC(C)Sc1ccc(c(c1)O)C 62a_100000758301_100000685420 [0,2,0,0,0,0|2,0,0]=4 10859 B13R1.2879 CCC(C)Sc1ccc(c(c1)O)Cl 62a_100000758301_100011356854 [0,2,0,0,0,0|2,0,0]=4 10860 B13R1.2879 CCC(C)Sc1ccc(c(c1)O)Cl 62a_100011356854_100000758301 [0,2,0,0,0,0|2,0,0]=4 10861 B13R1.2879 CCC(C)Sc1ccc(c(c1)O)F 62a_100000686035_100000758301 [0,2,0,0,0,0|2,0,0]=4 10862 B13R1.2879 CCC(C)Sc1ccc(c(c1)O)F 62a_100000758301_100000686035 [0,2,0,0,0,0|2,0,0]=4 10863 B13R1.2879 CCC(C)Sc1ccc(c(c1)O)N 62a_100000739049_100000758301 [0,2,0,0,0,0|2,0,0]=4 10864 B13R1.2879 CCC(C)Sc1ccc(c(c1)O)N 62a_100000758301_100000739049 [0,2,0,0,0,0|2,0,0]=4 10865 B13R1.2879 CCC(C)Sc1ccc(c(c1)O)O 62a_100000758301_100009813601 [0,2,0,0,0,0|2,0,0]=4 10866 B13R1.2879 CCN(C)Cc1ccc(c(c1)Br)Br 2230a_100000225621_100012353900 [0,2,0,0,0,0|2,0,0]=4 10867 B13R1.2879 CCN(C)Cc1ccc(c(c1)Br)Br 269982a_100000225621_100012353900 [0,2,0,0,0,0|2,0,0]=4 10868 B13R1.2879 CCN(C)Cc1ccc(c(c1)Br)C 2230a_100000225621_100012232412 [0,2,0,0,0,0|2,0,0]=4 10869 B13R1.2879 CCN(C)Cc1ccc(c(c1)Br)C 269982a_100000225621_100012232412 [0,2,0,0,0,0|2,0,0]=4 10870 B13R1.2879 CCN(C)Cc1ccc(c(c1)Br)C 26a_100000225621_100011380479 [0,2,0,0,0,0|2,0,0]=4 10871 B13R1.2879 CCN(C)Cc1ccc(c(c1)Br)Cl 2230a_100000225621_100012353894 [0,2,0,0,0,0|2,0,0]=4 10872 B13R1.2879 CCN(C)Cc1ccc(c(c1)Br)Cl 269982a_100000225621_100012353894 [0,2,0,0,0,0|2,0,0]=4 10873 B13R1.2879 CCN(C)Cc1ccc(c(c1)Br)Cl 26a_100000225621_100011933957 [0,2,0,0,0,0|2,0,0]=4 10874 B13R1.2879 CCN(C)Cc1ccc(c(c1)Br)F 2230a_100000225621_100011206884 [0,2,0,0,0,0|2,0,0]=4 10875 B13R1.2879 CCN(C)Cc1ccc(c(c1)Br)F 269982a_100000225621_100000743011 [0,2,0,0,0,0|2,0,0]=4 10876 B13R1.2879 CCN(C)Cc1ccc(c(c1)Br)F 26a_100000225621_100000693481 [0,2,0,0,0,0|2,0,0]=4 10877 B13R1.2879 CCN(C)Cc1ccc(c(c1)Br)I 26a_100000225621_100000701344 [0,2,0,0,0,0|2,0,0]=4 10878 B13R1.2879 CCN(C)Cc1ccc(c(c1)C)Br 2230a_100000225621_100000727479 [0,2,0,0,0,0|2,0,0]=4 10879 B13R1.2879 CCN(C)Cc1ccc(c(c1)C)Br 269982a_100000225621_100000727479 [0,2,0,0,0,0|2,0,0]=4 10880 B13R1.2879 CCN(C)Cc1ccc(c(c1)C)Br 26a_100000225621_100000690111 [0,2,0,0,0,0|2,0,0]=4 10881 B13R1.2879 CCN(C)Cc1ccc(c(c1)C)C 2230a_100000201273_200000210301 [0,2,0,0,0,0|2,0,0]=4 10882 B13R1.2879 CCN(C)Cc1ccc(c(c1)C)C 2230a_100000225621_100000742320 [0,2,0,0,0,0|2,0,0]=4 10883 B13R1.2879 CCN(C)Cc1ccc(c(c1)C)C 2230a_100015204808_100000210202 [0,2,0,0,0,0|2,0,0]=4 10884 B13R1.2879 CCN(C)Cc1ccc(c(c1)C)C 269982a_100000201273_200000210301 [0,2,0,0,0,0|2,0,0]=4 10885 B13R1.2879 CCN(C)Cc1ccc(c(c1)C)C 269982a_100000225621_100000742320 [0,2,0,0,0,0|2,0,0]=4 10886 B13R1.2879 CCN(C)Cc1ccc(c(c1)C)C 269982a_100015204808_100000204670 [0,2,0,0,0,0|2,0,0]=4 10887 B13R1.2879 CCN(C)Cc1ccc(c(c1)C)C 34a_100000201273_200000210301 [0,2,0,0,0,0|2,0,0]=4 10888 B13R1.2879 CCN(C)Cc1ccc(c(c1)C)C 34a_100015204808_100000210202 [0,2,0,0,0,0|2,0,0]=4 10889 B13R1.2879 CCN(C)Cc1ccc(c(c1)C)Cl 2230a_100000225621_100012184735 [0,2,0,0,0,0|2,0,0]=4 10890 B13R1.2879 CCN(C)Cc1ccc(c(c1)C)Cl 269982a_100000225621_100012184735 [0,2,0,0,0,0|2,0,0]=4 10891 B13R1.2879 CCN(C)Cc1ccc(c(c1)C)Cl 26a_100000225621_100000211092 [0,2,0,0,0,0|2,0,0]=4 10892 B13R1.2879 CCN(C)Cc1ccc(c(c1)C)F 2230a_100000225621_100011216667 [0,2,0,0,0,0|2,0,0]=4 10893 B13R1.2879 CCN(C)Cc1ccc(c(c1)C)F 269982a_100000225621_100011216667 [0,2,0,0,0,0|2,0,0]=4 10894 B13R1.2879 CCN(C)Cc1ccc(c(c1)Cl)Br 2230a_100000225621_100012353895 [0,2,0,0,0,0|2,0,0]=4 10895 B13R1.2879 CCN(C)Cc1ccc(c(c1)Cl)Br 269982a_100000225621_100012353895 [0,2,0,0,0,0|2,0,0]=4 10896 B13R1.2879 CCN(C)Cc1ccc(c(c1)Cl)Br 26a_100000225621_100011215161 [0,2,0,0,0,0|2,0,0]=4 10897 B13R1.2879 CCN(C)Cc1ccc(c(c1)Cl)C 2230a_100000225621_100011823929 [0,2,0,0,0,0|2,0,0]=4 10898 B13R1.2879 CCN(C)Cc1ccc(c(c1)Cl)C 269982a_100000225621_100011823929 [0,2,0,0,0,0|2,0,0]=4 10899 B13R1.2879 CCN(C)Cc1ccc(c(c1)Cl)C 26a_100000225621_100011265682 [0,2,0,0,0,0|2,0,0]=4 10900 B13R1.2879 CCN(C)Cc1ccc(c(c1)Cl)Cl 2230a_100000184578_100000210202 [0,2,0,0,0,0|2,0,0]=4 10901 B13R1.2879 CCN(C)Cc1ccc(c(c1)Cl)Cl 2230a_100000225621_100000184707 [0,2,0,0,0,0|2,0,0]=4 10902 B13R1.2879 CCN(C)Cc1ccc(c(c1)Cl)Cl 269982a_100000184578_100000204670 [0,2,0,0,0,0|2,0,0]=4 10903 B13R1.2879 CCN(C)Cc1ccc(c(c1)Cl)Cl 269982a_100000225621_100000188800 [0,2,0,0,0,0|2,0,0]=4 10904 B13R1.2879 CCN(C)Cc1ccc(c(c1)Cl)Cl 26a_100000225621_100000211054 [0,2,0,0,0,0|2,0,0]=4 10905 B13R1.2879 CCN(C)Cc1ccc(c(c1)Cl)Cl 34a_100000184578_100000210202 [0,2,0,0,0,0|2,0,0]=4 10906 B13R1.2879 CCN(C)Cc1ccc(c(c1)Cl)F 2230a_100000225621_100000717365 [0,2,0,0,0,0|2,0,0]=4 10907 B13R1.2879 CCN(C)Cc1ccc(c(c1)Cl)F 269982a_100000225621_100011934319 [0,2,0,0,0,0|2,0,0]=4 10908 B13R1.2879 CCN(C)Cc1ccc(c(c1)Cl)F 26a_100000225621_100000211030 [0,2,0,0,0,0|2,0,0]=4 10909 B13R1.2879 CCN(C)Cc1ccc(c(c1)Cl)I 2230a_100000225621_100012349665 [0,2,0,0,0,0|2,0,0]=4 10910 B13R1.2879 CCN(C)Cc1ccc(c(c1)Cl)I 269982a_100000225621_100012349665 [0,2,0,0,0,0|2,0,0]=4 10911 B13R1.2879 CCN(C)Cc1ccc(c(c1)Cl)I 26a_100000225621_100000047559 [0,2,0,0,0,0|2,0,0]=4 10912 B13R1.2879 CCN(C)Cc1ccc(c(c1)F)Br 2230a_100000225621_100000767054 [0,2,0,0,0,0|2,0,0]=4 10913 B13R1.2879 CCN(C)Cc1ccc(c(c1)F)Br 269982a_100000225621_100000767054 [0,2,0,0,0,0|2,0,0]=4 10914 B13R1.2879 CCN(C)Cc1ccc(c(c1)F)Br 26a_100000225621_100000755031 [0,2,0,0,0,0|2,0,0]=4 10915 B13R1.2879 CCN(C)Cc1ccc(c(c1)F)C 2230a_100000225621_100011217369 [0,2,0,0,0,0|2,0,0]=4 10916 B13R1.2879 CCN(C)Cc1ccc(c(c1)F)C 269982a_100000225621_100011217369 [0,2,0,0,0,0|2,0,0]=4 10917 B13R1.2879 CCN(C)Cc1ccc(c(c1)F)Cl 2230a_100000225621_100000716492 [0,2,0,0,0,0|2,0,0]=4 10918 B13R1.2879 CCN(C)Cc1ccc(c(c1)F)Cl 269982a_100000225621_100000716492 [0,2,0,0,0,0|2,0,0]=4 10919 B13R1.2879 CCN(C)Cc1ccc(c(c1)F)Cl 26a_100000225621_100000691581 [0,2,0,0,0,0|2,0,0]=4 10920 B13R1.2879 CCN(C)Cc1ccc(c(c1)F)F 2230a_100000225621_100000757363 [0,2,0,0,0,0|2,0,0]=4 10921 B13R1.2879 CCN(C)Cc1ccc(c(c1)F)F 269982a_100000225621_100000757363 [0,2,0,0,0,0|2,0,0]=4 10922 B13R1.2879 CCN(C)Cc1ccc(c(c1)F)I 2230a_100000225621_100010149604 [0,2,0,0,0,0|2,0,0]=4 10923 B13R1.2879 CCN(C)Cc1ccc(c(c1)F)I 269982a_100000225621_100010149604 [0,2,0,0,0,0|2,0,0]=4 10924 B13R1.2879 CCN(C)Cc1ccc(c(c1)I)Br 2230a_100000225621_100010146616 [0,2,0,0,0,0|2,0,0]=4 10925 B13R1.2879 CCN(C)Cc1ccc(c(c1)I)Br 269982a_100000225621_100010146616 [0,2,0,0,0,0|2,0,0]=4 10926 B13R1.2879 CCN(C)Cc1ccc(c(c1)I)Br 26a_100000225621_100012339312 [0,2,0,0,0,0|2,0,0]=4 10927 B13R1.2879 CCN(C)Cc1ccc(c(c1)I)C 2230a_100000225621_100010206137 [0,2,0,0,0,0|2,0,0]=4 10928 B13R1.2879 CCN(C)Cc1ccc(c(c1)I)C 269982a_100000225621_100010206137 [0,2,0,0,0,0|2,0,0]=4 10929 B13R1.2879 CCN(C)Cc1ccc(c(c1)I)Cl 26a_100000225621_100000049588 [0,2,0,0,0,0|2,0,0]=4 10930 B13R1.2879 CCN(C)Cc1ccc(c(c1)I)F 2230a_100000225621_100010188208 [0,2,0,0,0,0|2,0,0]=4 10931 B13R1.2879 CCN(C)Cc1ccc(c(c1)I)F 269982a_100000225621_100010188208 [0,2,0,0,0,0|2,0,0]=4 10932 B13R1.2879 CCN([13CH3])Cc1ccc(c(c1)C)C 2230a_100000201273_200025704644 [0,2,0,0,0,0|2,0,0]=4 10933 B13R1.2879 CCN([13CH3])Cc1ccc(c(c1)C)C 269982a_100000201273_200025704644 [0,2,0,0,0,0|2,0,0]=4 10934 B13R1.2879 CCN([13CH3])Cc1ccc(c(c1)C)C 34a_100000201273_200025704644 [0,2,0,0,0,0|2,0,0]=4 10935 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Br)C 11a_106832991635_100000709925 [0,2,0,0,0,0|1,0,1]=4 10936 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Br)C 240690a_100102657272_100000709925 [0,2,0,0,0,0|1,0,1]=4 10937 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Br)C 527a_100102657272_100000709925 [0,2,0,0,0,0|1,0,1]=4 10938 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Br)Cl 11a_106832991635_100012349508 [0,2,0,0,0,0|1,0,1]=4 10939 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Br)Cl 240690a_100102657272_100012349508 [0,2,0,0,0,0|1,0,1]=4 10940 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Br)Cl 527a_100102657272_100012349508 [0,2,0,0,0,0|1,0,1]=4 10941 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Br)F 11a_106832991635_100000742997 [0,2,0,0,0,0|1,0,1]=4 10942 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Br)F 240690a_100102657272_100000742997 [0,2,0,0,0,0|1,0,1]=4 10943 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Br)F 527a_100102657272_100000742997 [0,2,0,0,0,0|1,0,1]=4 10944 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Br)O 240690a_100102657272_100009990404 [0,2,0,0,0,0|1,0,1]=4 10945 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Br)O 527a_100102657272_100009990404 [0,2,0,0,0,0|1,0,1]=4 10946 B13R1.2879 CNC(=O)Cc1ccc(c(c1)C)Br 11a_106832991635_100012340274 [0,2,0,0,0,0|1,0,1]=4 10947 B13R1.2879 CNC(=O)Cc1ccc(c(c1)C)Br 240690a_100102657272_100012340274 [0,2,0,0,0,0|1,0,1]=4 10948 B13R1.2879 CNC(=O)Cc1ccc(c(c1)C)Br 527a_100102657272_100012340274 [0,2,0,0,0,0|1,0,1]=4 10949 B13R1.2879 CNC(=O)Cc1ccc(c(c1)C)C 11a_106832991635_100000184070 [0,2,0,0,0,0|1,0,1]=4 10950 B13R1.2879 CNC(=O)Cc1ccc(c(c1)C)C 240690a_100102657272_100000184070 [0,2,0,0,0,0|1,0,1]=4 10951 B13R1.2879 CNC(=O)Cc1ccc(c(c1)C)C 527a_100102657272_100000184070 [0,2,0,0,0,0|1,0,1]=4 10952 B13R1.2879 CNC(=O)Cc1ccc(c(c1)C)F 11a_106832991635_100011667458 [0,2,0,0,0,0|1,0,1]=4 10953 B13R1.2879 CNC(=O)Cc1ccc(c(c1)C)F 240690a_100102657272_100011667458 [0,2,0,0,0,0|1,0,1]=4 10954 B13R1.2879 CNC(=O)Cc1ccc(c(c1)C)F 527a_100102657272_100011667458 [0,2,0,0,0,0|1,0,1]=4 10955 B13R1.2879 CNC(=O)Cc1ccc(c(c1)C)O 240690a_100102657272_100000083968 [0,2,0,0,0,0|1,0,1]=4 10956 B13R1.2879 CNC(=O)Cc1ccc(c(c1)C)O 527a_100102657272_100000083968 [0,2,0,0,0,0|1,0,1]=4 10957 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Cl)Br 11a_106832991635_100000766880 [0,2,0,0,0,0|1,0,1]=4 10958 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Cl)Br 240690a_100102657272_100000766880 [0,2,0,0,0,0|1,0,1]=4 10959 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Cl)Br 527a_100102657272_100000766880 [0,2,0,0,0,0|1,0,1]=4 10960 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Cl)Cl 11a_106832991635_100000210702 [0,2,0,0,0,0|1,0,1]=4 10961 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Cl)Cl 240690a_100102657272_100000210702 [0,2,0,0,0,0|1,0,1]=4 10962 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Cl)Cl 527a_100102657272_100000210702 [0,2,0,0,0,0|1,0,1]=4 10963 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Cl)F 11a_106832991635_100011217296 [0,2,0,0,0,0|1,0,1]=4 10964 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Cl)F 1626a_100102657272_100011217296 [0,2,0,0,0,0|1,0,1]=4 10965 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Cl)F 240690a_100102657272_100011217296 [0,2,0,0,0,0|1,0,1]=4 10966 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Cl)F 527a_100102657272_100011217296 [0,2,0,0,0,0|1,0,1]=4 10967 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Cl)O 240690a_100102657272_100000035197 [0,2,0,0,0,0|1,0,1]=4 10968 B13R1.2879 CNC(=O)Cc1ccc(c(c1)Cl)O 527a_100102657272_100000035197 [0,2,0,0,0,0|1,0,1]=4 10969 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)Br 11a_106832991635_100000691132 [0,2,0,0,0,0|1,0,1]=4 10970 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)Br 240690a_100102657272_100000691132 [0,2,0,0,0,0|1,0,1]=4 10971 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)Br 527a_100102657272_100000691132 [0,2,0,0,0,0|1,0,1]=4 10972 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)C 11a_106832991635_100011217375 [0,2,0,0,0,0|1,0,1]=4 10973 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)C 240690a_100102657272_100011217375 [0,2,0,0,0,0|1,0,1]=4 10974 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)C 527a_100102657272_100011217375 [0,2,0,0,0,0|1,0,1]=4 10975 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)Cl 11a_106832991635_100000722404 [0,2,0,0,0,0|1,0,1]=4 10976 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)Cl 240690a_100102657272_100000722404 [0,2,0,0,0,0|1,0,1]=4 10977 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)Cl 527a_100102657272_100000722404 [0,2,0,0,0,0|1,0,1]=4 10978 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)F 11a_106832991635_100000684721 [0,2,0,0,0,0|1,0,1]=4 10979 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)F 1626a_100102657272_100000684721 [0,2,0,0,0,0|1,0,1]=4 10980 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)F 240690a_100102657272_100000684721 [0,2,0,0,0,0|1,0,1]=4 10981 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)F 527a_100102657272_100000684721 [0,2,0,0,0,0|1,0,1]=4 10982 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)I 11a_106832991635_100010149632 [0,2,0,0,0,0|1,0,1]=4 10983 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)I 1626a_100102657272_100010149632 [0,2,0,0,0,0|1,0,1]=4 10984 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)I 240690a_100102657272_100010149632 [0,2,0,0,0,0|1,0,1]=4 10985 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)I 527a_100102657272_100010149632 [0,2,0,0,0,0|1,0,1]=4 10986 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)O 240690a_100102657272_100000039761 [0,2,0,0,0,0|1,0,1]=4 10987 B13R1.2879 CNC(=O)Cc1ccc(c(c1)F)O 527a_100102657272_100000039761 [0,2,0,0,0,0|1,0,1]=4 10988 B13R1.2879 CNC(=O)Cc1ccc(c(c1)O)C 11a_106832991635_100000082272 [0,2,0,0,0,0|1,0,1]=4 10989 B13R1.2879 CNC(=O)Cc1ccc(c(c1)O)C 240690a_100102657272_100000082272 [0,2,0,0,0,0|1,0,1]=4 10990 B13R1.2879 CNC(=O)Cc1ccc(c(c1)O)C 527a_100102657272_100000082272 [0,2,0,0,0,0|1,0,1]=4 10991 B13R1.2879 CNC(=O)Cc1ccc(c(c1)O)O 527a_100102657272_100000031429 [0,2,0,0,0,0|1,0,1]=4 10992 B13R1.2879 CNC(C)Cc1ccc(c(c1)Cl)Cl 270004a_106832991635_100011586667 [0,2,0,0,0,0|0,0,0]=2 10993 B13R1.2879 COC(C)Sc1ccc(c(c1)Br)Br 62a_100009879195_100012356285 [0,2,0,0,0,0|2,0,0]=4 10994 B13R1.2879 COC(C)Sc1ccc(c(c1)Br)Br 62a_100012356285_100009879195 [0,2,0,0,0,0|2,0,0]=4 10995 B13R1.2879 COC(C)Sc1ccc(c(c1)Br)C 62a_100009879195_100011847877 [0,2,0,0,0,0|2,0,0]=4 10996 B13R1.2879 COC(C)Sc1ccc(c(c1)Br)C 62a_100011847877_100009879195 [0,2,0,0,0,0|2,0,0]=4 10997 B13R1.2879 COC(C)Sc1ccc(c(c1)Br)Cl 62a_100009879195_100012353702 [0,2,0,0,0,0|2,0,0]=4 10998 B13R1.2879 COC(C)Sc1ccc(c(c1)Br)Cl 62a_100012353702_100009879195 [0,2,0,0,0,0|2,0,0]=4 10999 B13R1.2879 COC(C)Sc1ccc(c(c1)Br)F 62a_100009879195_100012047266 [0,2,0,0,0,0|2,0,0]=4 11000 B13R1.2879 COC(C)Sc1ccc(c(c1)Br)F 62a_100012047266_100009879195 [0,2,0,0,0,0|2,0,0]=4 11001 B13R1.2879 COC(C)Sc1ccc(c(c1)Br)N 62a_100000750455_100009879195 [0,2,0,0,0,0|2,0,0]=4 11002 B13R1.2879 COC(C)Sc1ccc(c(c1)Br)N 62a_100009879195_100000750455 [0,2,0,0,0,0|2,0,0]=4 11003 B13R1.2879 COC(C)Sc1ccc(c(c1)Br)O 62a_100009879195_100012361655 [0,2,0,0,0,0|2,0,0]=4 11004 B13R1.2879 COC(C)Sc1ccc(c(c1)Br)O 62a_100012361655_100009879195 [0,2,0,0,0,0|2,0,0]=4 11005 B13R1.2879 COC(C)Sc1ccc(c(c1)C)Br 62a_100009813585_100009879195 [0,2,0,0,0,0|2,0,0]=4 11006 B13R1.2879 COC(C)Sc1ccc(c(c1)C)Br 62a_100009879195_100009813585 [0,2,0,0,0,0|2,0,0]=4 11007 B13R1.2879 COC(C)Sc1ccc(c(c1)C)C 62a_100009879195_100011215607 [0,2,0,0,0,0|2,0,0]=4 11008 B13R1.2879 COC(C)Sc1ccc(c(c1)C)C 62a_100011215607_100009879195 [0,2,0,0,0,0|2,0,0]=4 11009 B13R1.2879 COC(C)Sc1ccc(c(c1)C)Cl 62a_100000049509_100009879195 [0,2,0,0,0,0|2,0,0]=4 11010 B13R1.2879 COC(C)Sc1ccc(c(c1)C)Cl 62a_100009879195_100000049509 [0,2,0,0,0,0|2,0,0]=4 11011 B13R1.2879 COC(C)Sc1ccc(c(c1)C)F 62a_100009879195_100011218330 [0,2,0,0,0,0|2,0,0]=4 11012 B13R1.2879 COC(C)Sc1ccc(c(c1)C)F 62a_100011218330_100009879195 [0,2,0,0,0,0|2,0,0]=4 11013 B13R1.2879 COC(C)Sc1ccc(c(c1)C)N 62a_100000211769_100009879195 [0,2,0,0,0,0|2,0,0]=4 11014 B13R1.2879 COC(C)Sc1ccc(c(c1)C)N 62a_100009879195_100000211769 [0,2,0,0,0,0|2,0,0]=4 11015 B13R1.2879 COC(C)Sc1ccc(c(c1)C)O 62a_100009879195_100000186361 [0,2,0,0,0,0|2,0,0]=4 11016 B13R1.2879 COC(C)Sc1ccc(c(c1)Cl)Br 62a_100009879195_100012047281 [0,2,0,0,0,0|2,0,0]=4 11017 B13R1.2879 COC(C)Sc1ccc(c(c1)Cl)Br 62a_100012047281_100009879195 [0,2,0,0,0,0|2,0,0]=4 11018 B13R1.2879 COC(C)Sc1ccc(c(c1)Cl)C 62a_100009879195_100011216363 [0,2,0,0,0,0|2,0,0]=4 11019 B13R1.2879 COC(C)Sc1ccc(c(c1)Cl)C 62a_100011216363_100009879195 [0,2,0,0,0,0|2,0,0]=4 11020 B13R1.2879 COC(C)Sc1ccc(c(c1)Cl)Cl 62a_100009879195_100011214914 [0,2,0,0,0,0|2,0,0]=4 11021 B13R1.2879 COC(C)Sc1ccc(c(c1)Cl)Cl 62a_100011214914_100009879195 [0,2,0,0,0,0|2,0,0]=4 11022 B13R1.2879 COC(C)Sc1ccc(c(c1)Cl)F 62a_100009879195_100011215976 [0,2,0,0,0,0|2,0,0]=4 11023 B13R1.2879 COC(C)Sc1ccc(c(c1)Cl)F 62a_100011215976_100009879195 [0,2,0,0,0,0|2,0,0]=4 11024 B13R1.2879 COC(C)Sc1ccc(c(c1)Cl)N 62a_100009879195_100011218065 [0,2,0,0,0,0|2,0,0]=4 11025 B13R1.2879 COC(C)Sc1ccc(c(c1)Cl)N 62a_100011218065_100009879195 [0,2,0,0,0,0|2,0,0]=4 11026 B13R1.2879 COC(C)Sc1ccc(c(c1)Cl)O 62a_100009879195_100012360047 [0,2,0,0,0,0|2,0,0]=4 11027 B13R1.2879 COC(C)Sc1ccc(c(c1)Cl)O 62a_100012360047_100009879195 [0,2,0,0,0,0|2,0,0]=4 11028 B13R1.2879 COC(C)Sc1ccc(c(c1)F)Br 62a_100000685389_100009879195 [0,2,0,0,0,0|2,0,0]=4 11029 B13R1.2879 COC(C)Sc1ccc(c(c1)F)Br 62a_100009879195_100000685389 [0,2,0,0,0,0|2,0,0]=4 11030 B13R1.2879 COC(C)Sc1ccc(c(c1)F)C 62a_100000720648_100009879195 [0,2,0,0,0,0|2,0,0]=4 11031 B13R1.2879 COC(C)Sc1ccc(c(c1)F)C 62a_100009879195_100000720648 [0,2,0,0,0,0|2,0,0]=4 11032 B13R1.2879 COC(C)Sc1ccc(c(c1)F)Cl 62a_100009879195_100011216805 [0,2,0,0,0,0|2,0,0]=4 11033 B13R1.2879 COC(C)Sc1ccc(c(c1)F)Cl 62a_100011216805_100009879195 [0,2,0,0,0,0|2,0,0]=4 11034 B13R1.2879 COC(C)Sc1ccc(c(c1)F)F 62a_100000703953_100009879195 [0,2,0,0,0,0|2,0,0]=4 11035 B13R1.2879 COC(C)Sc1ccc(c(c1)F)F 62a_100009879195_100000703953 [0,2,0,0,0,0|2,0,0]=4 11036 B13R1.2879 COC(C)Sc1ccc(c(c1)F)N 62a_100009879195_100011215594 [0,2,0,0,0,0|2,0,0]=4 11037 B13R1.2879 COC(C)Sc1ccc(c(c1)F)N 62a_100011215594_100009879195 [0,2,0,0,0,0|2,0,0]=4 11038 B13R1.2879 COC(C)Sc1ccc(c(c1)F)O 62a_100000185481_100009879195 [0,2,0,0,0,0|2,0,0]=4 11039 B13R1.2879 COC(C)Sc1ccc(c(c1)F)O 62a_100009879195_100000185481 [0,2,0,0,0,0|2,0,0]=4 11040 B13R1.2879 COC(C)Sc1ccc(c(c1)N)Br 62a_100000750456_100009879195 [0,2,0,0,0,0|2,0,0]=4 11041 B13R1.2879 COC(C)Sc1ccc(c(c1)N)Br 62a_100009879195_100000750456 [0,2,0,0,0,0|2,0,0]=4 11042 B13R1.2879 COC(C)Sc1ccc(c(c1)N)C 62a_100000761890_100009879195 [0,2,0,0,0,0|2,0,0]=4 11043 B13R1.2879 COC(C)Sc1ccc(c(c1)N)C 62a_100009879195_100000761890 [0,2,0,0,0,0|2,0,0]=4 11044 B13R1.2879 COC(C)Sc1ccc(c(c1)N)Cl 62a_100009879195_200000761891 [0,2,0,0,0,0|2,0,0]=4 11045 B13R1.2879 COC(C)Sc1ccc(c(c1)N)Cl 62a_200000761891_100009879195 [0,2,0,0,0,0|2,0,0]=4 11046 B13R1.2879 COC(C)Sc1ccc(c(c1)N)F 62a_100000740924_100009879195 [0,2,0,0,0,0|2,0,0]=4 11047 B13R1.2879 COC(C)Sc1ccc(c(c1)N)F 62a_100009879195_100000740924 [0,2,0,0,0,0|2,0,0]=4 11048 B13R1.2879 COC(C)Sc1ccc(c(c1)N)N 62a_100000741789_100009879195 [0,2,0,0,0,0|2,0,0]=4 11049 B13R1.2879 COC(C)Sc1ccc(c(c1)N)N 62a_100009879195_100011534411 [0,2,0,0,0,0|2,0,0]=4 11050 B13R1.2879 COC(C)Sc1ccc(c(c1)N)O 62a_100000752626_100009879195 [0,2,0,0,0,0|2,0,0]=4 11051 B13R1.2879 COC(C)Sc1ccc(c(c1)N)O 62a_100009879195_100000752626 [0,2,0,0,0,0|2,0,0]=4 11052 B13R1.2879 COC(C)Sc1ccc(c(c1)O)Br 62a_100009879195_100012356990 [0,2,0,0,0,0|2,0,0]=4 11053 B13R1.2879 COC(C)Sc1ccc(c(c1)O)Br 62a_100012356990_100009879195 [0,2,0,0,0,0|2,0,0]=4 11054 B13R1.2879 COC(C)Sc1ccc(c(c1)O)C 62a_100000685420_100009879195 [0,2,0,0,0,0|2,0,0]=4 11055 B13R1.2879 COC(C)Sc1ccc(c(c1)O)C 62a_100009879195_100000685420 [0,2,0,0,0,0|2,0,0]=4 11056 B13R1.2879 COC(C)Sc1ccc(c(c1)O)Cl 62a_100009879195_100011356854 [0,2,0,0,0,0|2,0,0]=4 11057 B13R1.2879 COC(C)Sc1ccc(c(c1)O)Cl 62a_100011356854_100009879195 [0,2,0,0,0,0|2,0,0]=4 11058 B13R1.2879 COC(C)Sc1ccc(c(c1)O)F 62a_100000686035_100009879195 [0,2,0,0,0,0|2,0,0]=4 11059 B13R1.2879 COC(C)Sc1ccc(c(c1)O)F 62a_100009879195_100000686035 [0,2,0,0,0,0|2,0,0]=4 11060 B13R1.2879 COC(C)Sc1ccc(c(c1)O)N 62a_100000739049_100009879195 [0,2,0,0,0,0|2,0,0]=4 11061 B13R1.2879 COC(C)Sc1ccc(c(c1)O)N 62a_100009879195_100000739049 [0,2,0,0,0,0|2,0,0]=4 11062 B13R1.2879 COC(C)Sc1ccc(c(c1)O)O 62a_100009879195_100009813601 [0,2,0,0,0,0|2,0,0]=4 11063 B13R1.40 CCC(C)Nc1cccc(c1Br)C 34a_100000684715_100011215416 [0,2,0,0,0,0|2,0,0]=4 11064 B13R1.40 CCC(C)Nc1cccc(c1Br)Cl 34a_100000687072_100011215416 [0,2,0,0,0,0|2,0,0]=4 11065 B13R1.40 CCC(C)Nc1cccc(c1Br)F 34a_100011934729_100011215416 [0,2,0,0,0,0|2,0,0]=4 11066 B13R1.40 CCC(C)Nc1cccc(c1Br)O 34a_100012183704_100011215416 [0,2,0,0,0,0|2,0,0]=4 11067 B13R1.40 CCC(C)Nc1cccc(c1Br)O 7a_100012183704_100000758301 [0,2,0,0,0,0|2,0,0]=4 11068 B13R1.40 CCC(C)Nc1cccc(c1C)Br 34a_100000750434_100011215416 [0,2,0,0,0,0|2,0,0]=4 11069 B13R1.40 CCC(C)Nc1cccc(c1C)C 2230a_100000210026_100000758301 [0,2,0,0,0,0|2,0,0]=4 11070 B13R1.40 CCC(C)Nc1cccc(c1C)C 34a_100000210026_100011215416 [0,2,0,0,0,0|2,0,0]=4 11071 B13R1.40 CCC(C)Nc1cccc(c1C)C 7a_100000210026_100000758301 [0,2,0,0,0,0|2,0,0]=4 11072 B13R1.40 CCC(C)Nc1cccc(c1C)Cl 2230a_100000210441_100000758301 [0,2,0,0,0,0|2,0,0]=4 11073 B13R1.40 CCC(C)Nc1cccc(c1C)Cl 34a_100000210441_100011215416 [0,2,0,0,0,0|2,0,0]=4 11074 B13R1.40 CCC(C)Nc1cccc(c1C)Cl 7a_100000210441_100000758301 [0,2,0,0,0,0|2,0,0]=4 11075 B13R1.40 CCC(C)Nc1cccc(c1C)F 34a_100000745574_100011215416 [0,2,0,0,0,0|2,0,0]=4 11076 B13R1.40 CCC(C)Nc1cccc(c1C)F 7a_100000745574_100000758301 [0,2,0,0,0,0|2,0,0]=4 11077 B13R1.40 CCC(C)Nc1cccc(c1C)I 34a_100000761887_100011215416 [0,2,0,0,0,0|2,0,0]=4 11078 B13R1.40 CCC(C)Nc1cccc(c1C)O 34a_100011216573_100011215416 [0,2,0,0,0,0|2,0,0]=4 11079 B13R1.40 CCC(C)Nc1cccc(c1C)O 7a_100011216573_100000758301 [0,2,0,0,0,0|2,0,0]=4 11080 B13R1.40 CCC(C)Nc1cccc(c1Cl)Br 34a_100000687075_100011215416 [0,2,0,0,0,0|2,0,0]=4 11081 B13R1.40 CCC(C)Nc1cccc(c1Cl)C 34a_100000765562_100011215416 [0,2,0,0,0,0|2,0,0]=4 11082 B13R1.40 CCC(C)Nc1cccc(c1Cl)C 7a_100000765562_100000758301 [0,2,0,0,0,0|2,0,0]=4 11083 B13R1.40 CCC(C)Nc1cccc(c1Cl)Cl 34a_100000185733_100011215416 [0,2,0,0,0,0|2,0,0]=4 11084 B13R1.40 CCC(C)Nc1cccc(c1Cl)F 34a_100000692321_100011215416 [0,2,0,0,0,0|2,0,0]=4 11085 B13R1.40 CCC(C)Nc1cccc(c1Cl)O 34a_100012002038_100011215416 [0,2,0,0,0,0|2,0,0]=4 11086 B13R1.40 CCC(C)Nc1cccc(c1Cl)O 7a_100012002038_100000758301 [0,2,0,0,0,0|2,0,0]=4 11087 B13R1.40 CCC(C)Nc1cccc(c1F)Br 2230a_100011935091_100000758301 [0,2,0,0,0,0|2,0,0]=4 11088 B13R1.40 CCC(C)Nc1cccc(c1F)Br 34a_100011935091_100011215416 [0,2,0,0,0,0|2,0,0]=4 11089 B13R1.40 CCC(C)Nc1cccc(c1F)C 2230a_100000697159_100000758301 [0,2,0,0,0,0|2,0,0]=4 11090 B13R1.40 CCC(C)Nc1cccc(c1F)C 34a_100000697159_100011215416 [0,2,0,0,0,0|2,0,0]=4 11091 B13R1.40 CCC(C)Nc1cccc(c1F)C 7a_100000697159_100000758301 [0,2,0,0,0,0|2,0,0]=4 11092 B13R1.40 CCC(C)Nc1cccc(c1F)Cl 2230a_100000199060_100000758301 [0,2,0,0,0,0|2,0,0]=4 11093 B13R1.40 CCC(C)Nc1cccc(c1F)Cl 34a_100000199060_100011215416 [0,2,0,0,0,0|2,0,0]=4 11094 B13R1.40 CCC(C)Nc1cccc(c1F)F 34a_100000743855_100011215416 [0,2,0,0,0,0|2,0,0]=4 11095 B13R1.40 CCC(C)Nc1cccc(c1I)Br 34a_100020590159_100011215416 [0,2,0,0,0,0|2,0,0]=4 11096 B13R1.40 CCC(C)Nc1cccc(c1I)C 34a_100000761888_100011215416 [0,2,0,0,0,0|2,0,0]=4 11097 B13R1.40 CCC(C)Nc1cccc(c1I)Cl 34a_100000049713_100011215416 [0,2,0,0,0,0|2,0,0]=4 11098 B13R1.40 CCC(C)Nc1cccc(c1I)F 34a_100000690935_100011215416 [0,2,0,0,0,0|2,0,0]=4 11099 B13R1.40 CCC(C)Nc1cccc(c1O)Br 34a_100011934915_100011215416 [0,2,0,0,0,0|2,0,0]=4 11100 B13R1.40 CCC(C)Nc1cccc(c1O)C 34a_100000756359_100011215416 [0,2,0,0,0,0|2,0,0]=4 11101 B13R1.40 CCC(C)Nc1cccc(c1O)Cl 34a_100000754742_100011215416 [0,2,0,0,0,0|2,0,0]=4 11102 B13R1.40 CCC(C)Nc1cccc(c1O)F 34a_100011934987_100011215416 [0,2,0,0,0,0|2,0,0]=4 11103 B13R1.40 CCC(C)Oc1cccc(c1Br)Br 34a_100010187966_100011215416 [0,2,0,0,0,0|2,0,0]=4 11104 B13R1.40 CCC(C)Oc1cccc(c1Br)Br 7a_100010187966_100000758301 [0,2,0,0,0,0|2,0,0]=4 11105 B13R1.40 CCC(C)Oc1cccc(c1Br)C 34a_100000686692_100011215416 [0,2,0,0,0,0|2,0,0]=4 11106 B13R1.40 CCC(C)Oc1cccc(c1Br)C 7a_100000686692_100000758301 [0,2,0,0,0,0|2,0,0]=4 11107 B13R1.40 CCC(C)Oc1cccc(c1Br)Cl 34a_100012348804_100011215416 [0,2,0,0,0,0|2,0,0]=4 11108 B13R1.40 CCC(C)Oc1cccc(c1Br)Cl 7a_100012348804_100000758301 [0,2,0,0,0,0|2,0,0]=4 11109 B13R1.40 CCC(C)Oc1cccc(c1Br)F 34a_100009820682_100011215416 [0,2,0,0,0,0|2,0,0]=4 11110 B13R1.40 CCC(C)Oc1cccc(c1Br)F 7a_100009820682_100000758301 [0,2,0,0,0,0|2,0,0]=4 11111 B13R1.40 CCC(C)Oc1cccc(c1Br)I 34a_100010187914_100011215416 [0,2,0,0,0,0|2,0,0]=4 11112 B13R1.40 CCC(C)Oc1cccc(c1Br)I 7a_100010187914_100000758301 [0,2,0,0,0,0|2,0,0]=4 11113 B13R1.40 CCC(C)Oc1cccc(c1Br)N 34a_100012183704_100011215416 [0,2,0,0,0,0|2,0,0]=4 11114 B13R1.40 CCC(C)Oc1cccc(c1Br)N 7a_100012183704_100000758301 [0,2,0,0,0,0|2,0,0]=4 11115 B13R1.40 CCC(C)Oc1cccc(c1C)Br 34a_100012002258_100011215416 [0,2,0,0,0,0|2,0,0]=4 11116 B13R1.40 CCC(C)Oc1cccc(c1C)Br 7a_100012002258_100000758301 [0,2,0,0,0,0|2,0,0]=4 11117 B13R1.40 CCC(C)Oc1cccc(c1C)C 34a_100000185855_100011215416 [0,2,0,0,0,0|2,0,0]=4 11118 B13R1.40 CCC(C)Oc1cccc(c1C)C 7a_100000185855_100000758301 [0,2,0,0,0,0|2,0,0]=4 11119 B13R1.40 CCC(C)Oc1cccc(c1C)Cl 34a_100011265684_100011215416 [0,2,0,0,0,0|2,0,0]=4 11120 B13R1.40 CCC(C)Oc1cccc(c1C)Cl 7a_100011265684_100000758301 [0,2,0,0,0,0|2,0,0]=4 11121 B13R1.40 CCC(C)Oc1cccc(c1C)F 34a_100011217231_100011215416 [0,2,0,0,0,0|2,0,0]=4 11122 B13R1.40 CCC(C)Oc1cccc(c1C)F 7a_100011217231_100000758301 [0,2,0,0,0,0|2,0,0]=4 11123 B13R1.40 CCC(C)Oc1cccc(c1C)N 34a_100011216573_100011215416 [0,2,0,0,0,0|2,0,0]=4 11124 B13R1.40 CCC(C)Oc1cccc(c1C)N 7a_100011216573_100000758301 [0,2,0,0,0,0|2,0,0]=4 11125 B13R1.40 CCC(C)Oc1cccc(c1Cl)Br 34a_100010187913_100011215416 [0,2,0,0,0,0|2,0,0]=4 11126 B13R1.40 CCC(C)Oc1cccc(c1Cl)Br 7a_100010187913_100000758301 [0,2,0,0,0,0|2,0,0]=4 11127 B13R1.40 CCC(C)Oc1cccc(c1Cl)C 34a_100000695629_100011215416 [0,2,0,0,0,0|2,0,0]=4 11128 B13R1.40 CCC(C)Oc1cccc(c1Cl)C 7a_100000695629_100000758301 [0,2,0,0,0,0|2,0,0]=4 11129 B13R1.40 CCC(C)Oc1cccc(c1Cl)Cl 34a_100000211076_100011215416 [0,2,0,0,0,0|2,0,0]=4 11130 B13R1.40 CCC(C)Oc1cccc(c1Cl)Cl 7a_100000211076_100000758301 [0,2,0,0,0,0|2,0,0]=4 11131 B13R1.40 CCC(C)Oc1cccc(c1Cl)F 34a_100000087408_100011215416 [0,2,0,0,0,0|2,0,0]=4 11132 B13R1.40 CCC(C)Oc1cccc(c1Cl)F 7a_100000087408_100000758301 [0,2,0,0,0,0|2,0,0]=4 11133 B13R1.40 CCC(C)Oc1cccc(c1Cl)I 34a_100000049636_100011215416 [0,2,0,0,0,0|2,0,0]=4 11134 B13R1.40 CCC(C)Oc1cccc(c1Cl)I 7a_100000049636_100000758301 [0,2,0,0,0,0|2,0,0]=4 11135 B13R1.40 CCC(C)Oc1cccc(c1Cl)N 34a_100012002038_100011215416 [0,2,0,0,0,0|2,0,0]=4 11136 B13R1.40 CCC(C)Oc1cccc(c1Cl)N 7a_100012002038_100000758301 [0,2,0,0,0,0|2,0,0]=4 11137 B13R1.40 CCC(C)Oc1cccc(c1F)Br 34a_100009817021_100011215416 [0,2,0,0,0,0|2,0,0]=4 11138 B13R1.40 CCC(C)Oc1cccc(c1F)Br 7a_100009817021_100000758301 [0,2,0,0,0,0|2,0,0]=4 11139 B13R1.40 CCC(C)Oc1cccc(c1F)C 34a_100000751311_100011215416 [0,2,0,0,0,0|2,0,0]=4 11140 B13R1.40 CCC(C)Oc1cccc(c1F)C 7a_100000751311_100000758301 [0,2,0,0,0,0|2,0,0]=4 11141 B13R1.40 CCC(C)Oc1cccc(c1F)Cl 34a_100000687438_100011215416 [0,2,0,0,0,0|2,0,0]=4 11142 B13R1.40 CCC(C)Oc1cccc(c1F)Cl 7a_100000687438_100000758301 [0,2,0,0,0,0|2,0,0]=4 11143 B13R1.40 CCC(C)Oc1cccc(c1F)F 34a_100000751161_100011215416 [0,2,0,0,0,0|2,0,0]=4 11144 B13R1.40 CCC(C)Oc1cccc(c1F)F 7a_100000751161_100000758301 [0,2,0,0,0,0|2,0,0]=4 11145 B13R1.40 CCC(C)Oc1cccc(c1I)Br 34a_100010187912_100011215416 [0,2,0,0,0,0|2,0,0]=4 11146 B13R1.40 CCC(C)Oc1cccc(c1I)Br 7a_100010187912_100000758301 [0,2,0,0,0,0|2,0,0]=4 11147 B13R1.40 CCC(C)Oc1cccc(c1I)C 34a_100010083724_100011215416 [0,2,0,0,0,0|2,0,0]=4 11148 B13R1.40 CCC(C)Oc1cccc(c1I)C 7a_100010083724_100000758301 [0,2,0,0,0,0|2,0,0]=4 11149 B13R1.40 CCC(C)Oc1cccc(c1I)Cl 34a_100000050174_100011215416 [0,2,0,0,0,0|2,0,0]=4 11150 B13R1.40 CCC(C)Oc1cccc(c1I)Cl 7a_100000050174_100000758301 [0,2,0,0,0,0|2,0,0]=4 11151 B13R1.40 CCC(C)Oc1cccc(c1I)F 34a_100000690913_100011215416 [0,2,0,0,0,0|2,0,0]=4 11152 B13R1.40 CCC(C)Oc1cccc(c1I)F 7a_100000690913_100000758301 [0,2,0,0,0,0|2,0,0]=4 11153 B13R1.40 CCC(C)Oc1cccc(c1N)Br 34a_100011934926_100011215416 [0,2,0,0,0,0|2,0,0]=4 11154 B13R1.40 CCC(C)Oc1cccc(c1N)Br 7a_100011934926_100000758301 [0,2,0,0,0,0|2,0,0]=4 11155 B13R1.40 CCC(C)Oc1cccc(c1N)C 34a_100000743429_100011215416 [0,2,0,0,0,0|2,0,0]=4 11156 B13R1.40 CCC(C)Oc1cccc(c1N)C 7a_100000743429_100000758301 [0,2,0,0,0,0|2,0,0]=4 11157 B13R1.40 CCC(C)Oc1cccc(c1N)Cl 34a_100012022510_100011215416 [0,2,0,0,0,0|2,0,0]=4 11158 B13R1.40 CCC(C)Oc1cccc(c1N)Cl 7a_100012022510_100000758301 [0,2,0,0,0,0|2,0,0]=4 11159 B13R1.40 CCC(C)Oc1cccc(c1N)F 34a_100020591140_100011215416 [0,2,0,0,0,0|2,0,0]=4 11160 B13R1.40 CCC(C)Oc1cccc(c1N)F 7a_100020591140_100000758301 [0,2,0,0,0,0|2,0,0]=4 11161 B13R1.40 CCC(C)Oc1cccc(c1N)I 34a_200000049512_100011215416 [0,2,0,0,0,0|2,0,0]=4 11162 B13R1.40 CCC(C)Oc1cccc(c1N)I 7a_200000049512_100000758301 [0,2,0,0,0,0|2,0,0]=4 11163 B13R1.40 CCC(C)Oc1cccc(c1N)N 34a_100000033209_100011215416 [0,2,0,0,0,0|2,0,0]=4 11164 B13R1.40 CCC(C)Sc1cccc(c1Br)Br 62a_100000758301_100010175083 [0,2,0,0,0,0|2,0,0]=4 11165 B13R1.40 CCC(C)Sc1cccc(c1Br)Br 62a_100010175083_100000758301 [0,2,0,0,0,0|2,0,0]=4 11166 B13R1.40 CCC(C)Sc1cccc(c1Br)C 62a_100000758301_100012362457 [0,2,0,0,0,0|2,0,0]=4 11167 B13R1.40 CCC(C)Sc1cccc(c1Br)C 62a_100012362457_100000758301 [0,2,0,0,0,0|2,0,0]=4 11168 B13R1.40 CCC(C)Sc1cccc(c1Br)Cl 62a_100000758301_100014021842 [0,2,0,0,0,0|2,0,0]=4 11169 B13R1.40 CCC(C)Sc1cccc(c1Br)Cl 62a_100014021842_100000758301 [0,2,0,0,0,0|2,0,0]=4 11170 B13R1.40 CCC(C)Sc1cccc(c1Br)F 62a_100000758301_100010202630 [0,2,0,0,0,0|2,0,0]=4 11171 B13R1.40 CCC(C)Sc1cccc(c1Br)F 62a_100010202630_100000758301 [0,2,0,0,0,0|2,0,0]=4 11172 B13R1.40 CCC(C)Sc1cccc(c1Br)O 62a_100000758301_100010187914 [0,2,0,0,0,0|2,0,0]=4 11173 B13R1.40 CCC(C)Sc1cccc(c1Br)O 62a_100010187914_100000758301 [0,2,0,0,0,0|2,0,0]=4 11174 B13R1.40 CCC(C)Sc1cccc(c1C)Br 62a_100000758301_100012353703 [0,2,0,0,0,0|2,0,0]=4 11175 B13R1.40 CCC(C)Sc1cccc(c1C)Br 62a_100012353703_100000758301 [0,2,0,0,0,0|2,0,0]=4 11176 B13R1.40 CCC(C)Sc1cccc(c1C)C 62a_100000758301_100011214922 [0,2,0,0,0,0|2,0,0]=4 11177 B13R1.40 CCC(C)Sc1cccc(c1C)C 62a_100011214922_100000758301 [0,2,0,0,0,0|2,0,0]=4 11178 B13R1.40 CCC(C)Sc1cccc(c1C)Cl 62a_100000726075_100000758301 [0,2,0,0,0,0|2,0,0]=4 11179 B13R1.40 CCC(C)Sc1cccc(c1C)Cl 62a_100000758301_100000726075 [0,2,0,0,0,0|2,0,0]=4 11180 B13R1.40 CCC(C)Sc1cccc(c1C)F 62a_100000758301_100011216893 [0,2,0,0,0,0|2,0,0]=4 11181 B13R1.40 CCC(C)Sc1cccc(c1C)F 62a_100011216893_100000758301 [0,2,0,0,0,0|2,0,0]=4 11182 B13R1.40 CCC(C)Sc1cccc(c1C)N 62a_100000758301_100000761887 [0,2,0,0,0,0|2,0,0]=4 11183 B13R1.40 CCC(C)Sc1cccc(c1C)N 62a_100000761887_100000758301 [0,2,0,0,0,0|2,0,0]=4 11184 B13R1.40 CCC(C)Sc1cccc(c1C)O 62a_100000758301_100012002258 [0,2,0,0,0,0|2,0,0]=4 11185 B13R1.40 CCC(C)Sc1cccc(c1C)O 62a_100012002258_100000758301 [0,2,0,0,0,0|2,0,0]=4 11186 B13R1.40 CCC(C)Sc1cccc(c1Cl)Br 62a_100000758301_100010142854 [0,2,0,0,0,0|2,0,0]=4 11187 B13R1.40 CCC(C)Sc1cccc(c1Cl)Br 62a_100010142854_100000758301 [0,2,0,0,0,0|2,0,0]=4 11188 B13R1.40 CCC(C)Sc1cccc(c1Cl)C 62a_100000758301_200012352035 [0,2,0,0,0,0|2,0,0]=4 11189 B13R1.40 CCC(C)Sc1cccc(c1Cl)C 62a_200012352035_100000758301 [0,2,0,0,0,0|2,0,0]=4 11190 B13R1.40 CCC(C)Sc1cccc(c1Cl)Cl 62a_100000758301_100011215384 [0,2,0,0,0,0|2,0,0]=4 11191 B13R1.40 CCC(C)Sc1cccc(c1Cl)Cl 62a_100011215384_100000758301 [0,2,0,0,0,0|2,0,0]=4 11192 B13R1.40 CCC(C)Sc1cccc(c1Cl)F 62a_100000758301_200010234923 [0,2,0,0,0,0|2,0,0]=4 11193 B13R1.40 CCC(C)Sc1cccc(c1Cl)F 62a_200010234923_100000758301 [0,2,0,0,0,0|2,0,0]=4 11194 B13R1.40 CCC(C)Sc1cccc(c1Cl)O 62a_100000758301_100000049636 [0,2,0,0,0,0|2,0,0]=4 11195 B13R1.40 CCC(C)Sc1cccc(c1F)Br 62a_100000702267_100000758301 [0,2,0,0,0,0|2,0,0]=4 11196 B13R1.40 CCC(C)Sc1cccc(c1F)Br 62a_100000758301_100000702267 [0,2,0,0,0,0|2,0,0]=4 11197 B13R1.40 CCC(C)Sc1cccc(c1F)C 62a_100000717567_100000758301 [0,2,0,0,0,0|2,0,0]=4 11198 B13R1.40 CCC(C)Sc1cccc(c1F)C 62a_100000758301_100000717567 [0,2,0,0,0,0|2,0,0]=4 11199 B13R1.40 CCC(C)Sc1cccc(c1F)Cl 62a_100000758301_100011217346 [0,2,0,0,0,0|2,0,0]=4 11200 B13R1.40 CCC(C)Sc1cccc(c1F)Cl 62a_100011217346_100000758301 [0,2,0,0,0,0|2,0,0]=4 11201 B13R1.40 CCC(C)Sc1cccc(c1F)F 62a_100000694657_100000758301 [0,2,0,0,0,0|2,0,0]=4 11202 B13R1.40 CCC(C)Sc1cccc(c1F)F 62a_100000758301_100000694657 [0,2,0,0,0,0|2,0,0]=4 11203 B13R1.40 CCC(C)Sc1cccc(c1F)N 62a_100000758301_100011935091 [0,2,0,0,0,0|2,0,0]=4 11204 B13R1.40 CCC(C)Sc1cccc(c1F)N 62a_100011935091_100000758301 [0,2,0,0,0,0|2,0,0]=4 11205 B13R1.40 CCC(C)Sc1cccc(c1F)O 62a_100000758301_100009817021 [0,2,0,0,0,0|2,0,0]=4 11206 B13R1.40 CCC(C)Sc1cccc(c1F)O 62a_100009817021_100000758301 [0,2,0,0,0,0|2,0,0]=4 11207 B13R1.40 CCC(C)Sc1cccc(c1N)Br 62a_100000758301_100010146558 [0,2,0,0,0,0|2,0,0]=4 11208 B13R1.40 CCC(C)Sc1cccc(c1N)Br 62a_100010146558_100000758301 [0,2,0,0,0,0|2,0,0]=4 11209 B13R1.40 CCC(C)Sc1cccc(c1N)C 62a_100000758301_100011834072 [0,2,0,0,0,0|2,0,0]=4 11210 B13R1.40 CCC(C)Sc1cccc(c1N)C 62a_100011834072_100000758301 [0,2,0,0,0,0|2,0,0]=4 11211 B13R1.40 CCC(C)Sc1cccc(c1N)Cl 62a_100000758301_100010190421 [0,2,0,0,0,0|2,0,0]=4 11212 B13R1.40 CCC(C)Sc1cccc(c1N)Cl 62a_100010190421_100000758301 [0,2,0,0,0,0|2,0,0]=4 11213 B13R1.40 CCC(C)Sc1cccc(c1N)F 62a_100000042321_100000758301 [0,2,0,0,0,0|2,0,0]=4 11214 B13R1.40 CCC(C)Sc1cccc(c1N)F 62a_100000758301_100000042321 [0,2,0,0,0,0|2,0,0]=4 11215 B13R1.40 CCC(C)Sc1cccc(c1N)N 62a_100015191791_100000758301 [0,2,0,0,0,0|2,0,0]=4 11216 B13R1.40 CCC(C)Sc1cccc(c1N)O 62a_100000758301_100011934926 [0,2,0,0,0,0|2,0,0]=4 11217 B13R1.40 CCC(C)Sc1cccc(c1O)Br 62a_100000758301_100010084509 [0,2,0,0,0,0|2,0,0]=4 11218 B13R1.40 CCC(C)Sc1cccc(c1O)Br 62a_100010084509_100000758301 [0,2,0,0,0,0|2,0,0]=4 11219 B13R1.40 CCC(C)Sc1cccc(c1O)C 62a_100000758301_100009817157 [0,2,0,0,0,0|2,0,0]=4 11220 B13R1.40 CCC(C)Sc1cccc(c1O)C 62a_100009817157_100000758301 [0,2,0,0,0,0|2,0,0]=4 11221 B13R1.40 CCC(C)Sc1cccc(c1O)Cl 62a_100000758301_100010202889 [0,2,0,0,0,0|2,0,0]=4 11222 B13R1.40 CCC(C)Sc1cccc(c1O)Cl 62a_100010202889_100000758301 [0,2,0,0,0,0|2,0,0]=4 11223 B13R1.40 CCC(C)Sc1cccc(c1O)F 62a_100000758301_100009813666 [0,2,0,0,0,0|2,0,0]=4 11224 B13R1.40 CCC(C)Sc1cccc(c1O)F 62a_100009813666_100000758301 [0,2,0,0,0,0|2,0,0]=4 11225 B13R1.40 CCC(C)Sc1cccc(c1O)N 62a_100000758301_100010084371 [0,2,0,0,0,0|2,0,0]=4 11226 B13R1.40 CCC(C)Sc1cccc(c1O)N 62a_100011934915_100000758301 [0,2,0,0,0,0|2,0,0]=4 11227 B13R1.40 CCC(C)Sc1cccc(c1O)O 62a_100000758301_100009815950 [0,2,0,0,0,0|2,0,0]=4 11228 B13R1.40 CCN(C)Cc1cccc(c1Br)Br 26a_100000225621_100010187966 [0,2,0,0,0,0|2,0,0]=4 11229 B13R1.40 CCN(C)Cc1cccc(c1Br)C 2230a_100000225621_200012349612 [0,2,0,0,0,0|2,0,0]=4 11230 B13R1.40 CCN(C)Cc1cccc(c1Br)C 269982a_100000225621_200012349612 [0,2,0,0,0,0|2,0,0]=4 11231 B13R1.40 CCN(C)Cc1cccc(c1Br)C 26a_100000225621_100000686692 [0,2,0,0,0,0|2,0,0]=4 11232 B13R1.40 CCN(C)Cc1cccc(c1Br)Cl 2230a_100000225621_100010145525 [0,2,0,0,0,0|2,0,0]=4 11233 B13R1.40 CCN(C)Cc1cccc(c1Br)Cl 269982a_100000225621_100010145525 [0,2,0,0,0,0|2,0,0]=4 11234 B13R1.40 CCN(C)Cc1cccc(c1Br)Cl 26a_100000225621_100012348804 [0,2,0,0,0,0|2,0,0]=4 11235 B13R1.40 CCN(C)Cc1cccc(c1Br)F 2230a_100000225621_100012351116 [0,2,0,0,0,0|2,0,0]=4 11236 B13R1.40 CCN(C)Cc1cccc(c1Br)F 269982a_100000225621_100012351116 [0,2,0,0,0,0|2,0,0]=4 11237 B13R1.40 CCN(C)Cc1cccc(c1Br)F 26a_100000225621_100009820682 [0,2,0,0,0,0|2,0,0]=4 11238 B13R1.40 CCN(C)Cc1cccc(c1Br)I 2230a_100000225621_100010254545 [0,2,0,0,0,0|2,0,0]=4 11239 B13R1.40 CCN(C)Cc1cccc(c1Br)I 269982a_100000225621_100010254545 [0,2,0,0,0,0|2,0,0]=4 11240 B13R1.40 CCN(C)Cc1cccc(c1Br)I 26a_100000225621_100010187914 [0,2,0,0,0,0|2,0,0]=4 11241 B13R1.40 CCN(C)Cc1cccc(c1C)Br 2230a_100000225621_100000694682 [0,2,0,0,0,0|2,0,0]=4 11242 B13R1.40 CCN(C)Cc1cccc(c1C)Br 269982a_100000225621_100000694682 [0,2,0,0,0,0|2,0,0]=4 11243 B13R1.40 CCN(C)Cc1cccc(c1C)Br 26a_100000225621_100012002258 [0,2,0,0,0,0|2,0,0]=4 11244 B13R1.40 CCN(C)Cc1cccc(c1C)C 2230a_100000207598_100000210202 [0,2,0,0,0,0|2,0,0]=4 11245 B13R1.40 CCN(C)Cc1cccc(c1C)C 2230a_100000225621_100011515928 [0,2,0,0,0,0|2,0,0]=4 11246 B13R1.40 CCN(C)Cc1cccc(c1C)C 269982a_100000207598_100000204670 [0,2,0,0,0,0|2,0,0]=4 11247 B13R1.40 CCN(C)Cc1cccc(c1C)C 269982a_100000225621_100011515928 [0,2,0,0,0,0|2,0,0]=4 11248 B13R1.40 CCN(C)Cc1cccc(c1C)C 34a_100000207598_100000210202 [0,2,0,0,0,0|2,0,0]=4 11249 B13R1.40 CCN(C)Cc1cccc(c1C)Cl 2230a_100000225621_100012186920 [0,2,0,0,0,0|2,0,0]=4 11250 B13R1.40 CCN(C)Cc1cccc(c1C)Cl 269982a_100000225621_100012186920 [0,2,0,0,0,0|2,0,0]=4 11251 B13R1.40 CCN(C)Cc1cccc(c1C)F 2230a_100000225621_100009813626 [0,2,0,0,0,0|2,0,0]=4 11252 B13R1.40 CCN(C)Cc1cccc(c1C)F 269982a_100000225621_100009813626 [0,2,0,0,0,0|2,0,0]=4 11253 B13R1.40 CCN(C)Cc1cccc(c1C)I 2230a_100000225621_100010150147 [0,2,0,0,0,0|2,0,0]=4 11254 B13R1.40 CCN(C)Cc1cccc(c1C)I 269982a_100000225621_100010150147 [0,2,0,0,0,0|2,0,0]=4 11255 B13R1.40 CCN(C)Cc1cccc(c1Cl)Br 2230a_100000225621_100012349491 [0,2,0,0,0,0|2,0,0]=4 11256 B13R1.40 CCN(C)Cc1cccc(c1Cl)Br 269982a_100000225621_100012349491 [0,2,0,0,0,0|2,0,0]=4 11257 B13R1.40 CCN(C)Cc1cccc(c1Cl)Br 26a_100000225621_100010187913 [0,2,0,0,0,0|2,0,0]=4 11258 B13R1.40 CCN(C)Cc1cccc(c1Cl)C 26a_100000225621_100000695629 [0,2,0,0,0,0|2,0,0]=4 11259 B13R1.40 CCN(C)Cc1cccc(c1Cl)Cl 2230a_100000225621_100000723366 [0,2,0,0,0,0|2,0,0]=4 11260 B13R1.40 CCN(C)Cc1cccc(c1Cl)Cl 2230a_100000690605_100000210202 [0,2,0,0,0,0|2,0,0]=4 11261 B13R1.40 CCN(C)Cc1cccc(c1Cl)Cl 269982a_100000225621_100000720918 [0,2,0,0,0,0|2,0,0]=4 11262 B13R1.40 CCN(C)Cc1cccc(c1Cl)Cl 269982a_100000690605_100000204670 [0,2,0,0,0,0|2,0,0]=4 11263 B13R1.40 CCN(C)Cc1cccc(c1Cl)Cl 26a_100000225621_100000211076 [0,2,0,0,0,0|2,0,0]=4 11264 B13R1.40 CCN(C)Cc1cccc(c1Cl)Cl 34a_100000690605_100000210202 [0,2,0,0,0,0|2,0,0]=4 11265 B13R1.40 CCN(C)Cc1cccc(c1Cl)F 2230a_100000225621_100000696688 [0,2,0,0,0,0|2,0,0]=4 11266 B13R1.40 CCN(C)Cc1cccc(c1Cl)F 269982a_100000225621_100000696688 [0,2,0,0,0,0|2,0,0]=4 11267 B13R1.40 CCN(C)Cc1cccc(c1Cl)F 26a_100000225621_100000087408 [0,2,0,0,0,0|2,0,0]=4 11268 B13R1.40 CCN(C)Cc1cccc(c1Cl)I 26a_100000225621_100000049636 [0,2,0,0,0,0|2,0,0]=4 11269 B13R1.40 CCN(C)Cc1cccc(c1F)Br 2230a_100000225621_100012356506 [0,2,0,0,0,0|2,0,0]=4 11270 B13R1.40 CCN(C)Cc1cccc(c1F)Br 2230a_114873767014_100000210202 [0,2,0,0,0,0|2,0,0]=4 11271 B13R1.40 CCN(C)Cc1cccc(c1F)Br 269982a_100000225621_100012356506 [0,2,0,0,0,0|2,0,0]=4 11272 B13R1.40 CCN(C)Cc1cccc(c1F)Br 269982a_114873767014_100000204670 [0,2,0,0,0,0|2,0,0]=4 11273 B13R1.40 CCN(C)Cc1cccc(c1F)Br 26a_100000225621_100009817021 [0,2,0,0,0,0|2,0,0]=4 11274 B13R1.40 CCN(C)Cc1cccc(c1F)Br 34a_114873767014_100000210202 [0,2,0,0,0,0|2,0,0]=4 11275 B13R1.40 CCN(C)Cc1cccc(c1F)C 2230a_100000225621_100011216058 [0,2,0,0,0,0|2,0,0]=4 11276 B13R1.40 CCN(C)Cc1cccc(c1F)C 269982a_100000225621_100011216058 [0,2,0,0,0,0|2,0,0]=4 11277 B13R1.40 CCN(C)Cc1cccc(c1F)Cl 2230a_100000225621_100000716733 [0,2,0,0,0,0|2,0,0]=4 11278 B13R1.40 CCN(C)Cc1cccc(c1F)Cl 269982a_100000225621_100000716733 [0,2,0,0,0,0|2,0,0]=4 11279 B13R1.40 CCN(C)Cc1cccc(c1F)Cl 26a_100000225621_100000687438 [0,2,0,0,0,0|2,0,0]=4 11280 B13R1.40 CCN(C)Cc1cccc(c1F)F 2230a_100000225621_100000217499 [0,2,0,0,0,0|2,0,0]=4 11281 B13R1.40 CCN(C)Cc1cccc(c1F)F 2230a_100011192140_200000210301 [0,2,0,0,0,0|2,0,0]=4 11282 B13R1.40 CCN(C)Cc1cccc(c1F)F 2230a_102515433064_100000210202 [0,2,0,0,0,0|2,0,0]=4 11283 B13R1.40 CCN(C)Cc1cccc(c1F)F 269982a_100000225621_100000217499 [0,2,0,0,0,0|2,0,0]=4 11284 B13R1.40 CCN(C)Cc1cccc(c1F)F 269982a_100011192140_200000210301 [0,2,0,0,0,0|2,0,0]=4 11285 B13R1.40 CCN(C)Cc1cccc(c1F)F 269982a_102515433064_100000204670 [0,2,0,0,0,0|2,0,0]=4 11286 B13R1.40 CCN(C)Cc1cccc(c1F)F 34a_100011192140_200000210301 [0,2,0,0,0,0|2,0,0]=4 11287 B13R1.40 CCN(C)Cc1cccc(c1F)F 34a_102515433064_100000210202 [0,2,0,0,0,0|2,0,0]=4 11288 B13R1.40 CCN(C)Cc1cccc(c1I)Br 26a_100000225621_100010187912 [0,2,0,0,0,0|2,0,0]=4 11289 B13R1.40 CCN(C)Cc1cccc(c1I)F 2230a_100000225621_100010149603 [0,2,0,0,0,0|2,0,0]=4 11290 B13R1.40 CCN(C)Cc1cccc(c1I)F 269982a_100000225621_100010149603 [0,2,0,0,0,0|2,0,0]=4 11291 B13R1.40 CCN([13CH3])Cc1cccc(c1F)F 2230a_100011192140_200025704644 [0,2,0,0,0,0|2,0,0]=4 11292 B13R1.40 CCN([13CH3])Cc1cccc(c1F)F 269982a_100011192140_200025704644 [0,2,0,0,0,0|2,0,0]=4 11293 B13R1.40 CCN([13CH3])Cc1cccc(c1F)F 34a_100011192140_200025704644 [0,2,0,0,0,0|2,0,0]=4 11294 B13R1.40 CNC(=O)Cc1cccc(c1Br)C 11a_106832991635_100010147021 [0,2,0,0,0,0|1,0,1]=4 11295 B13R1.40 CNC(=O)Cc1cccc(c1Br)C 1626a_100102657272_100010147021 [0,2,0,0,0,0|1,0,1]=4 11296 B13R1.40 CNC(=O)Cc1cccc(c1Br)C 240690a_100102657272_100010147021 [0,2,0,0,0,0|1,0,1]=4 11297 B13R1.40 CNC(=O)Cc1cccc(c1Br)C 527a_100102657272_100010147021 [0,2,0,0,0,0|1,0,1]=4 11298 B13R1.40 CNC(=O)Cc1cccc(c1Br)Cl 11a_106832991635_100010145769 [0,2,0,0,0,0|1,0,1]=4 11299 B13R1.40 CNC(=O)Cc1cccc(c1Br)Cl 1626a_100102657272_100010145769 [0,2,0,0,0,0|1,0,1]=4 11300 B13R1.40 CNC(=O)Cc1cccc(c1Br)Cl 240690a_100102657272_100010145769 [0,2,0,0,0,0|1,0,1]=4 11301 B13R1.40 CNC(=O)Cc1cccc(c1Br)Cl 527a_100102657272_100010145769 [0,2,0,0,0,0|1,0,1]=4 11302 B13R1.40 CNC(=O)Cc1cccc(c1Br)F 11a_106832991635_100012356664 [0,2,0,0,0,0|1,0,1]=4 11303 B13R1.40 CNC(=O)Cc1cccc(c1Br)F 1626a_100102657272_100012356664 [0,2,0,0,0,0|1,0,1]=4 11304 B13R1.40 CNC(=O)Cc1cccc(c1Br)F 240690a_100102657272_100012356664 [0,2,0,0,0,0|1,0,1]=4 11305 B13R1.40 CNC(=O)Cc1cccc(c1Br)F 527a_100102657272_100012356664 [0,2,0,0,0,0|1,0,1]=4 11306 B13R1.40 CNC(=O)Cc1cccc(c1C)C 11a_106832991635_100011698479 [0,2,0,0,0,0|1,0,1]=4 11307 B13R1.40 CNC(=O)Cc1cccc(c1C)C 1626a_100102657272_100011698479 [0,2,0,0,0,0|1,0,1]=4 11308 B13R1.40 CNC(=O)Cc1cccc(c1C)C 240690a_100102657272_100011698479 [0,2,0,0,0,0|1,0,1]=4 11309 B13R1.40 CNC(=O)Cc1cccc(c1C)C 527a_100102657272_100011698479 [0,2,0,0,0,0|1,0,1]=4 11310 B13R1.40 CNC(=O)Cc1cccc(c1C)F 11a_106832991635_100000035905 [0,2,0,0,0,0|1,0,1]=4 11311 B13R1.40 CNC(=O)Cc1cccc(c1C)F 1626a_100102657272_100000035905 [0,2,0,0,0,0|1,0,1]=4 11312 B13R1.40 CNC(=O)Cc1cccc(c1C)F 240690a_100102657272_100000035905 [0,2,0,0,0,0|1,0,1]=4 11313 B13R1.40 CNC(=O)Cc1cccc(c1C)F 527a_100102657272_100000035905 [0,2,0,0,0,0|1,0,1]=4 11314 B13R1.40 CNC(=O)Cc1cccc(c1Cl)Br 11a_106832991635_100010145770 [0,2,0,0,0,0|1,0,1]=4 11315 B13R1.40 CNC(=O)Cc1cccc(c1Cl)Br 1626a_100102657272_100010145770 [0,2,0,0,0,0|1,0,1]=4 11316 B13R1.40 CNC(=O)Cc1cccc(c1Cl)Br 240690a_100102657272_100010145770 [0,2,0,0,0,0|1,0,1]=4 11317 B13R1.40 CNC(=O)Cc1cccc(c1Cl)Br 527a_100102657272_100010145770 [0,2,0,0,0,0|1,0,1]=4 11318 B13R1.40 CNC(=O)Cc1cccc(c1Cl)Cl 11a_106832991635_100000759314 [0,2,0,0,0,0|1,0,1]=4 11319 B13R1.40 CNC(=O)Cc1cccc(c1Cl)Cl 1626a_100102657272_100000759314 [0,2,0,0,0,0|1,0,1]=4 11320 B13R1.40 CNC(=O)Cc1cccc(c1Cl)Cl 240690a_100102657272_100000759314 [0,2,0,0,0,0|1,0,1]=4 11321 B13R1.40 CNC(=O)Cc1cccc(c1Cl)Cl 527a_100102657272_100000759314 [0,2,0,0,0,0|1,0,1]=4 11322 B13R1.40 CNC(=O)Cc1cccc(c1Cl)F 11a_106832991635_100012001123 [0,2,0,0,0,0|1,0,1]=4 11323 B13R1.40 CNC(=O)Cc1cccc(c1Cl)F 1626a_100102657272_100012001123 [0,2,0,0,0,0|1,0,1]=4 11324 B13R1.40 CNC(=O)Cc1cccc(c1Cl)F 240690a_100102657272_100012001123 [0,2,0,0,0,0|1,0,1]=4 11325 B13R1.40 CNC(=O)Cc1cccc(c1Cl)F 527a_100102657272_100012001123 [0,2,0,0,0,0|1,0,1]=4 11326 B13R1.40 CNC(=O)Cc1cccc(c1F)Br 11a_106832991635_100011935088 [0,2,0,0,0,0|1,0,1]=4 11327 B13R1.40 CNC(=O)Cc1cccc(c1F)Br 1626a_100102657272_100011935088 [0,2,0,0,0,0|1,0,1]=4 11328 B13R1.40 CNC(=O)Cc1cccc(c1F)Br 240690a_100102657272_100011935088 [0,2,0,0,0,0|1,0,1]=4 11329 B13R1.40 CNC(=O)Cc1cccc(c1F)Br 527a_100102657272_100011935088 [0,2,0,0,0,0|1,0,1]=4 11330 B13R1.40 CNC(=O)Cc1cccc(c1F)Cl 11a_106832991635_100000709823 [0,2,0,0,0,0|1,0,1]=4 11331 B13R1.40 CNC(=O)Cc1cccc(c1F)Cl 1626a_100102657272_100000709823 [0,2,0,0,0,0|1,0,1]=4 11332 B13R1.40 CNC(=O)Cc1cccc(c1F)Cl 240690a_100102657272_100000709823 [0,2,0,0,0,0|1,0,1]=4 11333 B13R1.40 CNC(=O)Cc1cccc(c1F)Cl 527a_100102657272_100000709823 [0,2,0,0,0,0|1,0,1]=4 11334 B13R1.40 CNC(=O)Cc1cccc(c1F)F 11a_106832991635_100000684727 [0,2,0,0,0,0|1,0,1]=4 11335 B13R1.40 CNC(=O)Cc1cccc(c1F)F 1626a_100102657272_100000684727 [0,2,0,0,0,0|1,0,1]=4 11336 B13R1.40 CNC(=O)Cc1cccc(c1F)F 240690a_100102657272_100000684727 [0,2,0,0,0,0|1,0,1]=4 11337 B13R1.40 CNC(=O)Cc1cccc(c1F)F 527a_100102657272_100000684727 [0,2,0,0,0,0|1,0,1]=4 11338 B13R1.40 CNC(C)Cc1cccc(c1C)F 270004a_106832991635_200000084601 [0,2,0,0,0,0|0,0,0]=2 11339 B13R1.40 CNC(C)Cc1cccc(c1F)F 270004a_106832991635_200011710203 [0,2,0,0,0,0|0,0,0]=2 11340 B13R1.40 COC(C)Sc1cccc(c1Br)Br 62a_100009879195_100010175083 [0,2,0,0,0,0|2,0,0]=4 11341 B13R1.40 COC(C)Sc1cccc(c1Br)Br 62a_100010175083_100009879195 [0,2,0,0,0,0|2,0,0]=4 11342 B13R1.40 COC(C)Sc1cccc(c1Br)C 62a_100009879195_100012362457 [0,2,0,0,0,0|2,0,0]=4 11343 B13R1.40 COC(C)Sc1cccc(c1Br)C 62a_100012362457_100009879195 [0,2,0,0,0,0|2,0,0]=4 11344 B13R1.40 COC(C)Sc1cccc(c1Br)Cl 62a_100009879195_100014021842 [0,2,0,0,0,0|2,0,0]=4 11345 B13R1.40 COC(C)Sc1cccc(c1Br)Cl 62a_100014021842_100009879195 [0,2,0,0,0,0|2,0,0]=4 11346 B13R1.40 COC(C)Sc1cccc(c1Br)F 62a_100009879195_100010202630 [0,2,0,0,0,0|2,0,0]=4 11347 B13R1.40 COC(C)Sc1cccc(c1Br)F 62a_100010202630_100009879195 [0,2,0,0,0,0|2,0,0]=4 11348 B13R1.40 COC(C)Sc1cccc(c1Br)O 62a_100009879195_100010187914 [0,2,0,0,0,0|2,0,0]=4 11349 B13R1.40 COC(C)Sc1cccc(c1Br)O 62a_100010187914_100009879195 [0,2,0,0,0,0|2,0,0]=4 11350 B13R1.40 COC(C)Sc1cccc(c1C)Br 62a_100009879195_100012353703 [0,2,0,0,0,0|2,0,0]=4 11351 B13R1.40 COC(C)Sc1cccc(c1C)Br 62a_100012353703_100009879195 [0,2,0,0,0,0|2,0,0]=4 11352 B13R1.40 COC(C)Sc1cccc(c1C)C 62a_100009879195_100011214922 [0,2,0,0,0,0|2,0,0]=4 11353 B13R1.40 COC(C)Sc1cccc(c1C)C 62a_100011214922_100009879195 [0,2,0,0,0,0|2,0,0]=4 11354 B13R1.40 COC(C)Sc1cccc(c1C)Cl 62a_100000726075_100009879195 [0,2,0,0,0,0|2,0,0]=4 11355 B13R1.40 COC(C)Sc1cccc(c1C)Cl 62a_100009879195_100000726075 [0,2,0,0,0,0|2,0,0]=4 11356 B13R1.40 COC(C)Sc1cccc(c1C)F 62a_100009879195_100011216893 [0,2,0,0,0,0|2,0,0]=4 11357 B13R1.40 COC(C)Sc1cccc(c1C)F 62a_100011216893_100009879195 [0,2,0,0,0,0|2,0,0]=4 11358 B13R1.40 COC(C)Sc1cccc(c1C)N 62a_100000761887_100009879195 [0,2,0,0,0,0|2,0,0]=4 11359 B13R1.40 COC(C)Sc1cccc(c1C)N 62a_100009879195_100000761887 [0,2,0,0,0,0|2,0,0]=4 11360 B13R1.40 COC(C)Sc1cccc(c1C)O 62a_100009879195_100012002258 [0,2,0,0,0,0|2,0,0]=4 11361 B13R1.40 COC(C)Sc1cccc(c1C)O 62a_100012002258_100009879195 [0,2,0,0,0,0|2,0,0]=4 11362 B13R1.40 COC(C)Sc1cccc(c1Cl)Br 62a_100009879195_100010142854 [0,2,0,0,0,0|2,0,0]=4 11363 B13R1.40 COC(C)Sc1cccc(c1Cl)Br 62a_100010142854_100009879195 [0,2,0,0,0,0|2,0,0]=4 11364 B13R1.40 COC(C)Sc1cccc(c1Cl)C 62a_100009879195_200012352035 [0,2,0,0,0,0|2,0,0]=4 11365 B13R1.40 COC(C)Sc1cccc(c1Cl)C 62a_200012352035_100009879195 [0,2,0,0,0,0|2,0,0]=4 11366 B13R1.40 COC(C)Sc1cccc(c1Cl)Cl 62a_100009879195_100011215384 [0,2,0,0,0,0|2,0,0]=4 11367 B13R1.40 COC(C)Sc1cccc(c1Cl)Cl 62a_100011215384_100009879195 [0,2,0,0,0,0|2,0,0]=4 11368 B13R1.40 COC(C)Sc1cccc(c1Cl)F 62a_100009879195_200010234923 [0,2,0,0,0,0|2,0,0]=4 11369 B13R1.40 COC(C)Sc1cccc(c1Cl)F 62a_200010234923_100009879195 [0,2,0,0,0,0|2,0,0]=4 11370 B13R1.40 COC(C)Sc1cccc(c1Cl)O 62a_100009879195_100000049636 [0,2,0,0,0,0|2,0,0]=4 11371 B13R1.40 COC(C)Sc1cccc(c1F)Br 62a_100000702267_100009879195 [0,2,0,0,0,0|2,0,0]=4 11372 B13R1.40 COC(C)Sc1cccc(c1F)Br 62a_100009879195_100000702267 [0,2,0,0,0,0|2,0,0]=4 11373 B13R1.40 COC(C)Sc1cccc(c1F)C 62a_100000717567_100009879195 [0,2,0,0,0,0|2,0,0]=4 11374 B13R1.40 COC(C)Sc1cccc(c1F)C 62a_100009879195_100000717567 [0,2,0,0,0,0|2,0,0]=4 11375 B13R1.40 COC(C)Sc1cccc(c1F)Cl 62a_100009879195_100011217346 [0,2,0,0,0,0|2,0,0]=4 11376 B13R1.40 COC(C)Sc1cccc(c1F)Cl 62a_100011217346_100009879195 [0,2,0,0,0,0|2,0,0]=4 11377 B13R1.40 COC(C)Sc1cccc(c1F)F 62a_100000694657_100009879195 [0,2,0,0,0,0|2,0,0]=4 11378 B13R1.40 COC(C)Sc1cccc(c1F)F 62a_100009879195_100000694657 [0,2,0,0,0,0|2,0,0]=4 11379 B13R1.40 COC(C)Sc1cccc(c1F)N 62a_100009879195_100011935091 [0,2,0,0,0,0|2,0,0]=4 11380 B13R1.40 COC(C)Sc1cccc(c1F)N 62a_100011935091_100009879195 [0,2,0,0,0,0|2,0,0]=4 11381 B13R1.40 COC(C)Sc1cccc(c1F)O 62a_100009817021_100009879195 [0,2,0,0,0,0|2,0,0]=4 11382 B13R1.40 COC(C)Sc1cccc(c1F)O 62a_100009879195_100009817021 [0,2,0,0,0,0|2,0,0]=4 11383 B13R1.40 COC(C)Sc1cccc(c1N)Br 62a_100009879195_100010146558 [0,2,0,0,0,0|2,0,0]=4 11384 B13R1.40 COC(C)Sc1cccc(c1N)Br 62a_100010146558_100009879195 [0,2,0,0,0,0|2,0,0]=4 11385 B13R1.40 COC(C)Sc1cccc(c1N)C 62a_100009879195_100011834072 [0,2,0,0,0,0|2,0,0]=4 11386 B13R1.40 COC(C)Sc1cccc(c1N)C 62a_100011834072_100009879195 [0,2,0,0,0,0|2,0,0]=4 11387 B13R1.40 COC(C)Sc1cccc(c1N)Cl 62a_100009879195_100010190421 [0,2,0,0,0,0|2,0,0]=4 11388 B13R1.40 COC(C)Sc1cccc(c1N)Cl 62a_100010190421_100009879195 [0,2,0,0,0,0|2,0,0]=4 11389 B13R1.40 COC(C)Sc1cccc(c1N)F 62a_100000042321_100009879195 [0,2,0,0,0,0|2,0,0]=4 11390 B13R1.40 COC(C)Sc1cccc(c1N)F 62a_100009879195_100000042321 [0,2,0,0,0,0|2,0,0]=4 11391 B13R1.40 COC(C)Sc1cccc(c1N)N 62a_100015191791_100009879195 [0,2,0,0,0,0|2,0,0]=4 11392 B13R1.40 COC(C)Sc1cccc(c1N)O 62a_100009879195_100011934926 [0,2,0,0,0,0|2,0,0]=4 11393 B13R1.40 COC(C)Sc1cccc(c1O)Br 62a_100009879195_100010084509 [0,2,0,0,0,0|2,0,0]=4 11394 B13R1.40 COC(C)Sc1cccc(c1O)Br 62a_100010084509_100009879195 [0,2,0,0,0,0|2,0,0]=4 11395 B13R1.40 COC(C)Sc1cccc(c1O)C 62a_100009817157_100009879195 [0,2,0,0,0,0|2,0,0]=4 11396 B13R1.40 COC(C)Sc1cccc(c1O)C 62a_100009879195_100009817157 [0,2,0,0,0,0|2,0,0]=4 11397 B13R1.40 COC(C)Sc1cccc(c1O)Cl 62a_100009879195_100010202889 [0,2,0,0,0,0|2,0,0]=4 11398 B13R1.40 COC(C)Sc1cccc(c1O)Cl 62a_100010202889_100009879195 [0,2,0,0,0,0|2,0,0]=4 11399 B13R1.40 COC(C)Sc1cccc(c1O)F 62a_100009813666_100009879195 [0,2,0,0,0,0|2,0,0]=4 11400 B13R1.40 COC(C)Sc1cccc(c1O)F 62a_100009879195_100009813666 [0,2,0,0,0,0|2,0,0]=4 11401 B13R1.40 COC(C)Sc1cccc(c1O)N 62a_100009879195_100010084371 [0,2,0,0,0,0|2,0,0]=4 11402 B13R1.40 COC(C)Sc1cccc(c1O)N 62a_100011934915_100009879195 [0,2,0,0,0,0|2,0,0]=4 11403 B13R1.40 COC(C)Sc1cccc(c1O)O 62a_100009879195_100009815950 [0,2,0,0,0,0|2,0,0]=4 11404 B13R1.81 C#Cc1cccc(c1)NC(C)CC 2230a_100000735509_100000758301 [0,2,0,0,0,0|2,0,0]=4 11405 B13R1.81 C#Cc1cccc(c1)NC(C)CC 34a_100000735509_100011215416 [0,2,0,0,0,0|2,0,0]=4 11406 B13R1.81 C#Cc1cccc(c1)OC(C)CC 34a_100011216014_100011215416 [0,2,0,0,0,0|2,0,0]=4 11407 B13R1.81 C#Cc1cccc(c1)OC(C)CC 7a_100011216014_100000758301 [0,2,0,0,0,0|2,0,0]=4 11408 B13R1.81 C=Cc1cccc(c1)CN(C)CC 26a_100000225621_100011309434 [0,2,0,0,0,0|2,0,0]=4 11409 B13R1.81 C=Cc1cccc(c1)NC(C)CC 34a_100011827668_100011215416 [0,2,0,0,0,0|2,0,0]=4 11410 B13R1.81 C=Cc1cccc(c1)OC(C)CC 271570a_100011290941_200011236628 [0,2,0,0,0,0|2,0,0]=4 11411 B13R1.81 C=Cc1cccc(c1)OC(C)CC 34a_100011309434_100011215416 [0,2,0,0,0,0|2,0,0]=4 11412 B13R1.81 C=Cc1cccc(c1)OC(C)CC 7a_100011309434_100000758301 [0,2,0,0,0,0|2,0,0]=4 11413 B13R1.81 C=Cc1cccc(c1)SC(C)CC 62a_100000758301_100011215241 [0,2,0,0,0,0|2,0,0]=4 11414 B13R1.81 C=Cc1cccc(c1)SC(C)CC 62a_100011215241_100000758301 [0,2,0,0,0,0|2,0,0]=4 11415 B13R1.81 C=Cc1cccc(c1)SC(C)OC 62a_100009879195_100011215241 [0,2,0,0,0,0|2,0,0]=4 11416 B13R1.81 C=Cc1cccc(c1)SC(C)OC 62a_100011215241_100009879195 [0,2,0,0,0,0|2,0,0]=4 11417 B13R1.81 CCC(C)Nc1cccc(c1)C#N 34a_100000210922_100011215416 [0,2,0,0,0,0|2,0,0]=4 11418 B13R1.81 CCC(C)Nc1cccc(c1)C#N 7a_100000210922_100000758301 [0,2,0,0,0,0|2,0,0]=4 11419 B13R1.81 CCC(C)Nc1cccc(c1)CF 2230a_100000126320_100000758301 [0,2,0,0,0,0|2,0,0]=4 11420 B13R1.81 CCC(C)Nc1cccc(c1)CF 34a_100000126320_100011215416 [0,2,0,0,0,0|2,0,0]=4 11421 B13R1.81 CCC(C)Nc1cccc(c1)CF 7a_100000126320_100000758301 [0,2,0,0,0,0|2,0,0]=4 11422 B13R1.81 CCC(C)Nc1cccc(c1)CO 2230a_100000211919_100000758301 [0,2,0,0,0,0|2,0,0]=4 11423 B13R1.81 CCC(C)Nc1cccc(c1)CO 34a_100000211919_100011215416 [0,2,0,0,0,0|2,0,0]=4 11424 B13R1.81 CCC(C)Nc1cccc(c1)OC 34a_100000210024_100011215416 [0,2,0,0,0,0|2,0,0]=4 11425 B13R1.81 CCC(C)Nc1cccc(c1)SC 2230a_100000210049_100000758301 [0,2,0,0,0,0|2,0,0]=4 11426 B13R1.81 CCC(C)Nc1cccc(c1)SC 34a_100000210049_100011215416 [0,2,0,0,0,0|2,0,0]=4 11427 B13R1.81 CCC(C)Oc1cccc(c1)C#N 34a_100000184713_100011215416 [0,2,0,0,0,0|2,0,0]=4 11428 B13R1.81 CCC(C)Oc1cccc(c1)C#N 7a_100000184713_100000758301 [0,2,0,0,0,0|2,0,0]=4 11429 B13R1.81 CCC(C)Oc1cccc(c1)CBr 34a_100011660834_100011215416 [0,2,0,0,0,0|2,0,0]=4 11430 B13R1.81 CCC(C)Oc1cccc(c1)CBr 7a_100011660834_100000758301 [0,2,0,0,0,0|2,0,0]=4 11431 B13R1.81 CCC(C)Oc1cccc(c1)CCl 34a_100000084143_100011215416 [0,2,0,0,0,0|2,0,0]=4 11432 B13R1.81 CCC(C)Oc1cccc(c1)CCl 7a_100000084143_100000758301 [0,2,0,0,0,0|2,0,0]=4 11433 B13R1.81 CCC(C)Oc1cccc(c1)CN 34a_100000743036_100011215416 [0,2,0,0,0,0|2,0,0]=4 11434 B13R1.81 CCC(C)Oc1cccc(c1)CO 34a_100011214949_100011215416 [0,2,0,0,0,0|2,0,0]=4 11435 B13R1.81 CCC(C)Oc1cccc(c1)CO 7a_100011214949_100000758301 [0,2,0,0,0,0|2,0,0]=4 11436 B13R1.81 CCC(C)Oc1cccc(c1)NC 34a_100000756613_100011215416 [0,2,0,0,0,0|2,0,0]=4 11437 B13R1.81 CCC(C)Oc1cccc(c1)NC 7a_100000756613_100000758301 [0,2,0,0,0,0|2,0,0]=4 11438 B13R1.81 CCC(C)Oc1cccc(c1)OC 34a_100000211255_100011215416 [0,2,0,0,0,0|2,0,0]=4 11439 B13R1.81 CCC(C)Oc1cccc(c1)OC 7a_100000211255_100000758301 [0,2,0,0,0,0|2,0,0]=4 11440 B13R1.81 CCC(C)Oc1cccc(c1)SC 34a_100011265683_100011215416 [0,2,0,0,0,0|2,0,0]=4 11441 B13R1.81 CCC(C)Oc1cccc(c1)SC 62a_200000210301_200011236628 [0,2,0,0,0,0|2,0,0]=4 11442 B13R1.81 CCC(C)Oc1cccc(c1)SC 62a_200011236628_200000210301 [0,2,0,0,0,0|2,0,0]=4 11443 B13R1.81 CCC(C)Oc1cccc(c1)SC 7a_100011265683_100000758301 [0,2,0,0,0,0|2,0,0]=4 11444 B13R1.81 CCC(C)Oc1cccc(c1)S[13CH3] 62a_200011236628_200025704644 [0,2,0,0,0,0|2,0,0]=4 11445 B13R1.81 CCC(C)Oc1cccc(c1)S[13CH3] 62a_200025704644_200011236628 [0,2,0,0,0,0|2,0,0]=4 11446 B13R1.81 CCC(C)Sc1cccc(c1)C#N 62a_100000758301_100000189340 [0,2,0,0,0,0|2,0,0]=4 11447 B13R1.81 CCC(C)Sc1cccc(c1)C=O 62a_100000014684_100000758301 [0,2,0,0,0,0|2,0,0]=4 11448 B13R1.81 CCC(C)Sc1cccc(c1)C=O 62a_100000758301_100000014684 [0,2,0,0,0,0|2,0,0]=4 11449 B13R1.81 CCC(C)Sc1cccc(c1)CF 62a_100000758301_100010878472 [0,2,0,0,0,0|2,0,0]=4 11450 B13R1.81 CCC(C)Sc1cccc(c1)CF 62a_100010878472_100000758301 [0,2,0,0,0,0|2,0,0]=4 11451 B13R1.81 CCC(C)Sc1cccc(c1)CN 62a_100000106179_100000758301 [0,2,0,0,0,0|2,0,0]=4 11452 B13R1.81 CCC(C)Sc1cccc(c1)CN 62a_100000758301_100000106179 [0,2,0,0,0,0|2,0,0]=4 11453 B13R1.81 CCC(C)Sc1cccc(c1)CO 62a_100000687537_100000758301 [0,2,0,0,0,0|2,0,0]=4 11454 B13R1.81 CCC(C)Sc1cccc(c1)CO 62a_100000758301_100000687537 [0,2,0,0,0,0|2,0,0]=4 11455 B13R1.81 CCC(C)Sc1cccc(c1)NC 62a_100000219648_100000758301 [0,2,0,0,0,0|2,0,0]=4 11456 B13R1.81 CCC(C)Sc1cccc(c1)NC 62a_100000758301_100000219648 [0,2,0,0,0,0|2,0,0]=4 11457 B13R1.81 CCC(C)Sc1cccc(c1)NN 62a_100000217339_100000758301 [0,2,0,0,0,0|2,0,0]=4 11458 B13R1.81 CCC(C)Sc1cccc(c1)NN 62a_100000758301_100000217339 [0,2,0,0,0,0|2,0,0]=4 11459 B13R1.81 CCC(C)Sc1cccc(c1)OC 62a_100000758301_100000170001 [0,2,0,0,0,0|2,0,0]=4 11460 B13R1.81 CCC(C)Sc1cccc(c1)SC 62a_100000758301_100011215954 [0,2,0,0,0,0|2,0,0]=4 11461 B13R1.81 CCC(C)Sc1cccc(c1)SC 62a_100011215954_100000758301 [0,2,0,0,0,0|2,0,0]=4 11462 B13R1.81 CCN(C)Cc1cccc(c1)C#N 2230a_100000168042_100000210202 [0,2,0,0,0,0|2,0,0]=4 11463 B13R1.81 CCN(C)Cc1cccc(c1)C#N 2230a_100000225621_100000233786 [0,2,0,0,0,0|2,0,0]=4 11464 B13R1.81 CCN(C)Cc1cccc(c1)C#N 269982a_100000168042_100000204670 [0,2,0,0,0,0|2,0,0]=4 11465 B13R1.81 CCN(C)Cc1cccc(c1)C#N 269982a_100000225621_100000233786 [0,2,0,0,0,0|2,0,0]=4 11466 B13R1.81 CCN(C)Cc1cccc(c1)C#N 26a_100000225621_100000184713 [0,2,0,0,0,0|2,0,0]=4 11467 B13R1.81 CCN(C)Cc1cccc(c1)C#N 34a_100000168042_100000210202 [0,2,0,0,0,0|2,0,0]=4 11468 B13R1.81 CCN(C)Cc1cccc(c1)C=O 2230a_100000225621_100009816774 [0,2,0,0,0,0|2,0,0]=4 11469 B13R1.81 CCN(C)Cc1cccc(c1)C=O 269982a_100000225621_100009816774 [0,2,0,0,0,0|2,0,0]=4 11470 B13R1.81 CCN(C)Cc1cccc(c1)CBr 26a_100000225621_100011660834 [0,2,0,0,0,0|2,0,0]=4 11471 B13R1.81 CCN(C)Cc1cccc(c1)CCl 26a_100000225621_100000084143 [0,2,0,0,0,0|2,0,0]=4 11472 B13R1.81 CCN(C)Cc1cccc(c1)CO 2230a_100000225621_100010188025 [0,2,0,0,0,0|2,0,0]=4 11473 B13R1.81 CCN(C)Cc1cccc(c1)CO 269982a_100000225621_100010188025 [0,2,0,0,0,0|2,0,0]=4 11474 B13R1.81 CCN(C)Cc1cccc(c1)CO 26a_100000225621_100011214949 [0,2,0,0,0,0|2,0,0]=4 11475 B13R1.81 CCN(C)Cc1cccc(c1)OC 2230a_100000184262_100000210202 [0,2,0,0,0,0|2,0,0]=4 11476 B13R1.81 CCN(C)Cc1cccc(c1)OC 2230a_100000225621_100000211672 [0,2,0,0,0,0|2,0,0]=4 11477 B13R1.81 CCN(C)Cc1cccc(c1)OC 2230a_200000201205_200000210301 [0,2,0,0,0,0|2,0,0]=4 11478 B13R1.81 CCN(C)Cc1cccc(c1)OC 269982a_100000184262_100000204670 [0,2,0,0,0,0|2,0,0]=4 11479 B13R1.81 CCN(C)Cc1cccc(c1)OC 269982a_100000225621_100000688526 [0,2,0,0,0,0|2,0,0]=4 11480 B13R1.81 CCN(C)Cc1cccc(c1)OC 269982a_200000201205_200000210301 [0,2,0,0,0,0|2,0,0]=4 11481 B13R1.81 CCN(C)Cc1cccc(c1)OC 26a_100000225621_100000211255 [0,2,0,0,0,0|2,0,0]=4 11482 B13R1.81 CCN(C)Cc1cccc(c1)SC 2230a_100011934695_100000210202 [0,2,0,0,0,0|2,0,0]=4 11483 B13R1.81 CCN(C)Cc1cccc(c1)SC 269982a_100011934695_100000204670 [0,2,0,0,0,0|2,0,0]=4 11484 B13R1.81 CCN(C)Cc1cccc(c1)SC 26a_100000225621_100011265683 [0,2,0,0,0,0|2,0,0]=4 11485 B13R1.81 CCN([13CH3])Cc1cccc(c1)OC 2230a_200000201205_200025704644 [0,2,0,0,0,0|2,0,0]=4 11486 B13R1.81 CCN([13CH3])Cc1cccc(c1)OC 269982a_200000201205_200025704644 [0,2,0,0,0,0|2,0,0]=4 11487 B13R1.81 CCc1cccc(c1)CN(C)CC 26a_100000225621_100000211550 [0,2,0,0,0,0|2,0,0]=4 11488 B13R1.81 CCc1cccc(c1)NC(C)CC 2230a_100000211250_100000758301 [0,2,0,0,0,0|2,0,0]=4 11489 B13R1.81 CCc1cccc(c1)NC(C)CC 34a_100000211250_100011215416 [0,2,0,0,0,0|2,0,0]=4 11490 B13R1.81 CCc1cccc(c1)NC(C)CC 7a_100000211250_100000758301 [0,2,0,0,0,0|2,0,0]=4 11491 B13R1.81 CCc1cccc(c1)OC(C)CC 34a_100000211550_100011215416 [0,2,0,0,0,0|2,0,0]=4 11492 B13R1.81 CCc1cccc(c1)OC(C)CC 7a_100000211550_100000758301 [0,2,0,0,0,0|2,0,0]=4 11493 B13R1.81 CCc1cccc(c1)SC(C)CC 62a_100000758301_100011263222 [0,2,0,0,0,0|2,0,0]=4 11494 B13R1.81 CCc1cccc(c1)SC(C)CC 62a_100011263222_100000758301 [0,2,0,0,0,0|2,0,0]=4 11495 B13R1.81 CCc1cccc(c1)SC(C)OC 62a_100009879195_100011263222 [0,2,0,0,0,0|2,0,0]=4 11496 B13R1.81 CCc1cccc(c1)SC(C)OC 62a_100011263222_100009879195 [0,2,0,0,0,0|2,0,0]=4 11497 B13R1.81 CNC(=O)Cc1cccc(c1)C#N 11a_106832991635_100000684415 [0,2,0,0,0,0|1,0,1]=4 11498 B13R1.81 CNC(=O)Cc1cccc(c1)C#N 1626a_100102657272_100000684415 [0,2,0,0,0,0|1,0,1]=4 11499 B13R1.81 CNC(=O)Cc1cccc(c1)C#N 240690a_100102657272_100000684415 [0,2,0,0,0,0|1,0,1]=4 11500 B13R1.81 CNC(=O)Cc1cccc(c1)C#N 527a_100102657272_100000684415 [0,2,0,0,0,0|1,0,1]=4 11501 B13R1.81 CNC(=O)Cc1cccc(c1)NC 2230a_100011690097_200000210301 [0,2,0,0,0,0|1,0,1]=4 11502 B13R1.81 CNC(=O)Cc1cccc(c1)NC 34a_100011690097_200000210301 [0,2,0,0,0,0|1,0,1]=4 11503 B13R1.81 CNC(=O)Cc1cccc(c1)N[13CH3] 2230a_100011690097_200025704644 [0,2,0,0,0,0|1,0,1]=4 11504 B13R1.81 CNC(=O)Cc1cccc(c1)N[13CH3] 34a_100011690097_200025704644 [0,2,0,0,0,0|1,0,1]=4 11505 B13R1.81 CNC(=O)Cc1cccc(c1)OC 11a_106832991635_100000211281 [0,2,0,0,0,0|1,0,1]=4 11506 B13R1.81 CNC(=O)Cc1cccc(c1)OC 1626a_100102657272_100000211281 [0,2,0,0,0,0|1,0,1]=4 11507 B13R1.81 CNC(=O)Cc1cccc(c1)OC 240690a_100102657272_100000211281 [0,2,0,0,0,0|1,0,1]=4 11508 B13R1.81 CNC(=O)Cc1cccc(c1)OC 527a_100102657272_100000211281 [0,2,0,0,0,0|1,0,1]=4 11509 B13R1.81 CNC(=O)Cc1cccc(c1)SC 11a_106832991635_100000035702 [0,2,0,0,0,0|1,0,1]=4 11510 B13R1.81 CNC(=O)Cc1cccc(c1)SC 1626a_100102657272_100000035702 [0,2,0,0,0,0|1,0,1]=4 11511 B13R1.81 CNC(=O)Cc1cccc(c1)SC 240690a_100102657272_100000035702 [0,2,0,0,0,0|1,0,1]=4 11512 B13R1.81 CNC(=O)Cc1cccc(c1)SC 527a_100102657272_100000035702 [0,2,0,0,0,0|1,0,1]=4 11513 B13R1.81 CNC(C)Cc1cccc(c1)OC 270004a_106832991635_100011218204 [0,2,0,0,0,0|0,0,0]=2 11514 B13R1.81 CNc1cccc(c1)SC(C)OC 62a_100000219648_100009879195 [0,2,0,0,0,0|2,0,0]=4 11515 B13R1.81 CNc1cccc(c1)SC(C)OC 62a_100009879195_100000219648 [0,2,0,0,0,0|2,0,0]=4 11516 B13R1.81 COC(C)Sc1cccc(c1)C#N 62a_100009879195_100000189340 [0,2,0,0,0,0|2,0,0]=4 11517 B13R1.81 COC(C)Sc1cccc(c1)C=O 62a_100000014684_100009879195 [0,2,0,0,0,0|2,0,0]=4 11518 B13R1.81 COC(C)Sc1cccc(c1)C=O 62a_100009879195_100000014684 [0,2,0,0,0,0|2,0,0]=4 11519 B13R1.81 COC(C)Sc1cccc(c1)CF 62a_100009879195_100010878472 [0,2,0,0,0,0|2,0,0]=4 11520 B13R1.81 COC(C)Sc1cccc(c1)CF 62a_100010878472_100009879195 [0,2,0,0,0,0|2,0,0]=4 11521 B13R1.81 COC(C)Sc1cccc(c1)CN 62a_100000106179_100009879195 [0,2,0,0,0,0|2,0,0]=4 11522 B13R1.81 COC(C)Sc1cccc(c1)CN 62a_100009879195_100000106179 [0,2,0,0,0,0|2,0,0]=4 11523 B13R1.81 COC(C)Sc1cccc(c1)CO 62a_100000687537_100009879195 [0,2,0,0,0,0|2,0,0]=4 11524 B13R1.81 COC(C)Sc1cccc(c1)CO 62a_100009879195_100000687537 [0,2,0,0,0,0|2,0,0]=4 11525 B13R1.81 COC(C)Sc1cccc(c1)NN 62a_100000217339_100009879195 [0,2,0,0,0,0|2,0,0]=4 11526 B13R1.81 COC(C)Sc1cccc(c1)NN 62a_100009879195_100000217339 [0,2,0,0,0,0|2,0,0]=4 11527 B13R1.81 COC(C)Sc1cccc(c1)SC 62a_100009879195_100011215954 [0,2,0,0,0,0|2,0,0]=4 11528 B13R1.81 COC(C)Sc1cccc(c1)SC 62a_100011215954_100009879195 [0,2,0,0,0,0|2,0,0]=4 11529 B13R1.81 COc1cccc(c1)SC(C)OC 62a_100009879195_100000170001 [0,2,0,0,0,0|2,0,0]=4 11530 B13R1.146 CCC(CC)Oc1cccc(c1)Br 7a_100000210342_100000210505 [0,2,0,0,0,0|2,0,0]=4 11531 B13R1.146 CCC(CC)Oc1cccc(c1)C 7a_100000210337_100000210505 [0,2,0,0,0,0|2,0,0]=4 11532 B13R1.146 CCC(CC)Oc1cccc(c1)Cl 7a_100000210295_100000210505 [0,2,0,0,0,0|2,0,0]=4 11533 B13R1.146 CCC(CC)Oc1cccc(c1)F 7a_100000210426_100000210505 [0,2,0,0,0,0|2,0,0]=4 11534 B13R1.146 CCC(CC)Oc1cccc(c1)I 7a_100000211634_100000210505 [0,2,0,0,0,0|2,0,0]=4 11535 B13R1.146 CCC(CC)Sc1cccc(c1)Br 62a_100000210505_100000691529 [0,2,0,0,0,0|2,0,0]=4 11536 B13R1.146 CCC(CC)Sc1cccc(c1)Br 62a_100000691529_100000210505 [0,2,0,0,0,0|2,0,0]=4 11537 B13R1.146 CCC(CC)Sc1cccc(c1)C 62a_100000210505_100011215228 [0,2,0,0,0,0|2,0,0]=4 11538 B13R1.146 CCC(CC)Sc1cccc(c1)C 62a_100011215228_100000210505 [0,2,0,0,0,0|2,0,0]=4 11539 B13R1.146 CCC(CC)Sc1cccc(c1)Cl 62a_100000210505_100000699651 [0,2,0,0,0,0|2,0,0]=4 11540 B13R1.146 CCC(CC)Sc1cccc(c1)Cl 62a_100000699651_100000210505 [0,2,0,0,0,0|2,0,0]=4 11541 B13R1.146 CCC(CC)Sc1cccc(c1)F 62a_100000210505_100000685547 [0,2,0,0,0,0|2,0,0]=4 11542 B13R1.146 CCC(CC)Sc1cccc(c1)F 62a_100000685547_100000210505 [0,2,0,0,0,0|2,0,0]=4 11543 B13R1.146 CCC(CC)Sc1cccc(c1)N 62a_100000210019_100000210505 [0,2,0,0,0,0|2,0,0]=4 11544 B13R1.146 CCC(CC)Sc1cccc(c1)N 62a_100000210505_100000210019 [0,2,0,0,0,0|2,0,0]=4 11545 B13R1.146 CCC(CC)Sc1cccc(c1)O 62a_100000210505_100000211634 [0,2,0,0,0,0|2,0,0]=4 11546 B13R1.146 CCC(CC)Sc1cccc(c1)[S] 62a_100000210505_114929384022 [0,2,0,0,0,0|2,0,0]=4 11547 B13R1.146 CCC(CC)Sc1cccc(c1)[S] 62a_114929384022_100000210505 [0,2,0,0,0,0|2,0,0]=4 11548 B13R1.146 CCN(CC)Cc1cccc(c1)Br 2230a_100000187426_100000210202 [0,2,0,0,0,0|2,0,0]=4 11549 B13R1.146 CCN(CC)Cc1cccc(c1)Br 2230a_100000724800_100000698116 [0,2,0,0,0,0|2,0,0]=4 11550 B13R1.146 CCN(CC)Cc1cccc(c1)Br 269956a_100000042499_100000211773 [0,2,0,0,0,0|2,0,0]=4 11551 B13R1.146 CCN(CC)Cc1cccc(c1)Br 269982a_100000187426_100000204670 [0,2,0,0,0,0|2,0,0]=4 11552 B13R1.146 CCN(CC)Cc1cccc(c1)Br 269982a_100000724800_100000211773 [0,2,0,0,0,0|2,0,0]=4 11553 B13R1.146 CCN(CC)Cc1cccc(c1)Br 270004a_100000724800_100000210085 [0,2,0,0,0,0|2,0,0]=4 11554 B13R1.146 CCN(CC)Cc1cccc(c1)C 2230a_100000724800_100000211840 [0,2,0,0,0,0|2,0,0]=4 11555 B13R1.146 CCN(CC)Cc1cccc(c1)C 2230a_102516607250_100000210202 [0,2,0,0,0,0|2,0,0]=4 11556 B13R1.146 CCN(CC)Cc1cccc(c1)C 269956a_100000042499_100000005736 [0,2,0,0,0,0|2,0,0]=4 11557 B13R1.146 CCN(CC)Cc1cccc(c1)C 269982a_100000724800_100000211840 [0,2,0,0,0,0|2,0,0]=4 11558 B13R1.146 CCN(CC)Cc1cccc(c1)C 269982a_102516607250_100000204670 [0,2,0,0,0,0|2,0,0]=4 11559 B13R1.146 CCN(CC)Cc1cccc(c1)C 270004a_100000724800_100000211157 [0,2,0,0,0,0|2,0,0]=4 11560 B13R1.146 CCN(CC)Cc1cccc(c1)Cl 2230a_100000201194_100000210202 [0,2,0,0,0,0|2,0,0]=4 11561 B13R1.146 CCN(CC)Cc1cccc(c1)Cl 2230a_100000724800_100000181238 [0,2,0,0,0,0|2,0,0]=4 11562 B13R1.146 CCN(CC)Cc1cccc(c1)Cl 269956a_100000042499_100000187163 [0,2,0,0,0,0|2,0,0]=4 11563 B13R1.146 CCN(CC)Cc1cccc(c1)Cl 269982a_100000201194_100000204670 [0,2,0,0,0,0|2,0,0]=4 11564 B13R1.146 CCN(CC)Cc1cccc(c1)Cl 269982a_100000724800_100000181238 [0,2,0,0,0,0|2,0,0]=4 11565 B13R1.146 CCN(CC)Cc1cccc(c1)Cl 270004a_100000724800_100000210801 [0,2,0,0,0,0|2,0,0]=4 11566 B13R1.146 CCN(CC)Cc1cccc(c1)F 2230a_100000195558_100000210202 [0,2,0,0,0,0|2,0,0]=4 11567 B13R1.146 CCN(CC)Cc1cccc(c1)F 2230a_100000724800_100000230114 [0,2,0,0,0,0|2,0,0]=4 11568 B13R1.146 CCN(CC)Cc1cccc(c1)F 269956a_100000042499_100000230114 [0,2,0,0,0,0|2,0,0]=4 11569 B13R1.146 CCN(CC)Cc1cccc(c1)F 269982a_100000195558_100000204670 [0,2,0,0,0,0|2,0,0]=4 11570 B13R1.146 CCN(CC)Cc1cccc(c1)F 269982a_100000724800_100000230114 [0,2,0,0,0,0|2,0,0]=4 11571 B13R1.146 CCN(CC)Cc1cccc(c1)F 270004a_100000724800_100000210812 [0,2,0,0,0,0|2,0,0]=4 11572 B13R1.146 CCN(CC)Cc1cccc(c1)F 34a_100000195558_100000210202 [0,2,0,0,0,0|2,0,0]=4 11573 B13R1.146 CCN(CC)Cc1cccc(c1)I 2230a_100000724800_100011218688 [0,2,0,0,0,0|2,0,0]=4 11574 B13R1.146 CCN(CC)Cc1cccc(c1)I 269956a_100000042499_100011218688 [0,2,0,0,0,0|2,0,0]=4 11575 B13R1.146 CCN(CC)Cc1cccc(c1)I 269982a_100000724800_100011218688 [0,2,0,0,0,0|2,0,0]=4 11576 B13R1.146 CCN(CC)Cc1cccc(c1)I 270004a_100000724800_100000014684 [0,2,0,0,0,0|2,0,0]=4 11577 B13R1.146 CCN(CC)Cc1cccc(c1)O 2230a_100000201218_100000210202 [0,2,0,0,0,0|2,0,0]=4 11578 B13R1.146 CCN(CC)Cc1cccc(c1)O 2230a_100000724800_100011660834 [0,2,0,0,0,0|2,0,0]=4 11579 B13R1.146 CCN(CC)Cc1cccc(c1)O 269956a_100000042499_100011660834 [0,2,0,0,0,0|2,0,0]=4 11580 B13R1.146 CCN(CC)Cc1cccc(c1)O 269982a_100000201218_100000204670 [0,2,0,0,0,0|2,0,0]=4 11581 B13R1.146 CCN(CC)Cc1cccc(c1)O 269982a_100000724800_100000084143 [0,2,0,0,0,0|2,0,0]=4 11582 B13R1.146 CCN(CC)Cc1cccc(c1)O 270004a_100000724800_100000188321 [0,2,0,0,0,0|2,0,0]=4 11583 B13R1.146 CCN(CF)Cc1cccc(c1)Br 269982a_100000187426_100015361967 [0,2,0,0,0,0|2,0,0]=4 11584 B13R1.146 CCN(CF)Cc1cccc(c1)C 269982a_102516607250_100015361967 [0,2,0,0,0,0|2,0,0]=4 11585 B13R1.146 CCN(CF)Cc1cccc(c1)Cl 269982a_100000201194_100015361967 [0,2,0,0,0,0|2,0,0]=4 11586 B13R1.146 CCN(CF)Cc1cccc(c1)F 269982a_100000195558_100015361967 [0,2,0,0,0,0|2,0,0]=4 11587 B13R1.146 CCN(CF)Cc1cccc(c1)F 34a_100000195558_100015361967 [0,2,0,0,0,0|2,0,0]=4 11588 B13R1.146 CCN(CF)Cc1cccc(c1)O 269982a_100000201218_100015361967 [0,2,0,0,0,0|2,0,0]=4 11589 B13R1.146 CNC(CO)Cc1cccc(c1)Br 2230a_114802770106_200000210301 [0,2,0,0,0,0|0,0,0]=2 11590 B13R1.146 CNC(CO)Cc1cccc(c1)Br 34a_114802770106_200000210301 [0,2,0,0,0,0|0,0,0]=2 11591 B13R1.146 CNC(CO)Cc1cccc(c1)C 2230a_100000716799_200000210301 [0,2,0,0,0,0|0,0,0]=2 11592 B13R1.146 CNC(CO)Cc1cccc(c1)C 34a_100000716799_200000210301 [0,2,0,0,0,0|0,0,0]=2 11593 B13R1.146 CNC(CO)Cc1cccc(c1)F 2230a_200012000099_200000210301 [0,2,0,0,0,0|0,0,0]=2 11594 B13R1.146 CNC(CO)Cc1cccc(c1)F 34a_200012000099_200000210301 [0,2,0,0,0,0|0,0,0]=2 11595 B13R1.146 Cc1cccc(c1)CC(CO)N[13CH3] 2230a_100000716799_200025704644 [0,2,0,0,0,0|0,0,0]=2 11596 B13R1.146 Cc1cccc(c1)CC(CO)N[13CH3] 34a_100000716799_200025704644 [0,2,0,0,0,0|0,0,0]=2 11597 B13R1.146 [13CH3]NC(CO)Cc1cccc(c1)Br 2230a_114802770106_200025704644 [0,2,0,0,0,0|0,0,0]=2 11598 B13R1.146 [13CH3]NC(CO)Cc1cccc(c1)Br 34a_114802770106_200025704644 [0,2,0,0,0,0|0,0,0]=2 11599 B13R1.146 [13CH3]NC(CO)Cc1cccc(c1)F 2230a_200012000099_200025704644 [0,2,0,0,0,0|0,0,0]=2 11600 B13R1.146 [13CH3]NC(CO)Cc1cccc(c1)F 34a_200012000099_200025704644 [0,2,0,0,0,0|0,0,0]=2 11601 B13R1.250 CC(C)(Cc1cccc(n1)Br)O[13CH3] 7a_100010253926_200025704644 [0,2,0,0,0,0|2,0,0]=4 11602 B13R1.250 CCC(C)(C)Oc1cccc(c1)Br 7a_100000210342_100000210677 [0,2,0,0,0,0|2,0,0]=4 11603 B13R1.250 CCC(C)(C)Oc1cccc(c1)C 7a_100000210337_100000210677 [0,2,0,0,0,0|2,0,0]=4 11604 B13R1.250 CCC(C)(C)Oc1cccc(c1)Cl 7a_100000210295_100000210677 [0,2,0,0,0,0|2,0,0]=4 11605 B13R1.250 CCC(C)(C)Oc1cccc(c1)F 7a_100000210426_100000210677 [0,2,0,0,0,0|2,0,0]=4 11606 B13R1.250 CCC(C)(C)Oc1cccc(c1)I 7a_100000211634_100000210677 [0,2,0,0,0,0|2,0,0]=4 11607 B13R1.250 CCC(C)(C)Sc1cccc(c1)Br 62a_100000032637_100000691529 [0,2,0,0,0,0|2,0,0]=4 11608 B13R1.250 CCC(C)(C)Sc1cccc(c1)Br 62a_100000691529_100000032637 [0,2,0,0,0,0|2,0,0]=4 11609 B13R1.250 CCC(C)(C)Sc1cccc(c1)C 62a_100000032637_100011215228 [0,2,0,0,0,0|2,0,0]=4 11610 B13R1.250 CCC(C)(C)Sc1cccc(c1)C 62a_100011215228_100000032637 [0,2,0,0,0,0|2,0,0]=4 11611 B13R1.250 CCC(C)(C)Sc1cccc(c1)Cl 62a_100000032637_100000699651 [0,2,0,0,0,0|2,0,0]=4 11612 B13R1.250 CCC(C)(C)Sc1cccc(c1)Cl 62a_100000699651_100000032637 [0,2,0,0,0,0|2,0,0]=4 11613 B13R1.250 CCC(C)(C)Sc1cccc(c1)F 62a_100000032637_100000685547 [0,2,0,0,0,0|2,0,0]=4 11614 B13R1.250 CCC(C)(C)Sc1cccc(c1)F 62a_100000685547_100000032637 [0,2,0,0,0,0|2,0,0]=4 11615 B13R1.250 CCC(C)(C)Sc1cccc(c1)N 62a_100000032637_100000210019 [0,2,0,0,0,0|2,0,0]=4 11616 B13R1.250 CCC(C)(C)Sc1cccc(c1)N 62a_100000210019_100000032637 [0,2,0,0,0,0|2,0,0]=4 11617 B13R1.250 CCC(C)(C)Sc1cccc(c1)O 62a_100000032637_100000211634 [0,2,0,0,0,0|2,0,0]=4 11618 B13R1.250 CCC(C)(C)Sc1cccc(c1)[S] 62a_100000032637_114929384022 [0,2,0,0,0,0|2,0,0]=4 11619 B13R1.250 CCC(C)(C)Sc1cccc(c1)[S] 62a_114929384022_100000032637 [0,2,0,0,0,0|2,0,0]=4 11620 B13R1.250 CNS(=O)(=O)Cc1cccc(c1)Br 270084a_100102657272_100000726588 [0,2,0,0,0,0|2,0,0]=4 11621 B13R1.250 CNS(=O)(=O)Cc1cccc(c1)Br 274078a_100102657272_100000726588 [0,2,0,0,0,0|2,0,0]=4 11622 B13R1.250 CNS(=O)(=O)Cc1cccc(c1)C 270084a_100102657272_100000743697 [0,2,0,0,0,0|2,0,0]=4 11623 B13R1.250 CNS(=O)(=O)Cc1cccc(c1)C 274078a_100102657272_100000743697 [0,2,0,0,0,0|2,0,0]=4 11624 B13R1.250 CNS(=O)(=O)Cc1cccc(c1)C 40a_100102657272_100015207158 [0,2,0,0,0,0|2,0,0]=4 11625 B13R1.250 CNS(=O)(=O)Cc1cccc(c1)Cl 270084a_100102657272_100000725668 [0,2,0,0,0,0|2,0,0]=4 11626 B13R1.250 CNS(=O)(=O)Cc1cccc(c1)Cl 274078a_100102657272_100000725668 [0,2,0,0,0,0|2,0,0]=4 11627 B13R1.250 CNS(=O)(=O)Cc1cccc(c1)F 270084a_100102657272_100000750188 [0,2,0,0,0,0|2,0,0]=4 11628 B13R1.250 CNS(=O)(=O)Cc1cccc(c1)F 274078a_100102657272_100000750188 [0,2,0,0,0,0|2,0,0]=4 11629 B13R1.250 COC(C)(C)Cc1cccc(n1)Br 7a_100010253926_200000210301 [0,2,0,0,0,0|2,0,0]=4 11630 B13R1.2872 CCC(C)Nc1cc(ccc1Br)Br 34a_100000737762_100011215416 [0,2,0,0,0,0|2,0,0]=4 11631 B13R1.2872 CCC(C)Nc1cc(ccc1Br)C 34a_100000745044_100011215416 [0,2,0,0,0,0|2,0,0]=4 11632 B13R1.2872 CCC(C)Nc1cc(ccc1Br)Cl 34a_100000687073_100011215416 [0,2,0,0,0,0|2,0,0]=4 11633 B13R1.2872 CCC(C)Nc1cc(ccc1Br)F 34a_100000687223_100011215416 [0,2,0,0,0,0|2,0,0]=4 11634 B13R1.2872 CCC(C)Nc1cc(ccc1Br)O 34a_100011999798_100011215416 [0,2,0,0,0,0|2,0,0]=4 11635 B13R1.2872 CCC(C)Nc1cc(ccc1C)Br 34a_100000741167_100011215416 [0,2,0,0,0,0|2,0,0]=4 11636 B13R1.2872 CCC(C)Nc1cc(ccc1C)Br 7a_100000741167_100000758301 [0,2,0,0,0,0|2,0,0]=4 11637 B13R1.2872 CCC(C)Nc1cc(ccc1C)C 2230a_100000185781_100000758301 [0,2,0,0,0,0|2,0,0]=4 11638 B13R1.2872 CCC(C)Nc1cc(ccc1C)C 34a_100000185781_100011215416 [0,2,0,0,0,0|2,0,0]=4 11639 B13R1.2872 CCC(C)Nc1cc(ccc1C)C 7a_100000185781_100000758301 [0,2,0,0,0,0|2,0,0]=4 11640 B13R1.2872 CCC(C)Nc1cc(ccc1C)Cl 34a_100000211374_100011215416 [0,2,0,0,0,0|2,0,0]=4 11641 B13R1.2872 CCC(C)Nc1cc(ccc1C)Cl 7a_100000211374_100000758301 [0,2,0,0,0,0|2,0,0]=4 11642 B13R1.2872 CCC(C)Nc1cc(ccc1C)F 34a_100000211107_100011215416 [0,2,0,0,0,0|2,0,0]=4 11643 B13R1.2872 CCC(C)Nc1cc(ccc1C)F 7a_100000211107_100000758301 [0,2,0,0,0,0|2,0,0]=4 11644 B13R1.2872 CCC(C)Nc1cc(ccc1C)I 7a_100000761890_100000758301 [0,2,0,0,0,0|2,0,0]=4 11645 B13R1.2872 CCC(C)Nc1cc(ccc1C)O 34a_100011216113_100011215416 [0,2,0,0,0,0|2,0,0]=4 11646 B13R1.2872 CCC(C)Nc1cc(ccc1Cl)Br 34a_100000750497_100011215416 [0,2,0,0,0,0|2,0,0]=4 11647 B13R1.2872 CCC(C)Nc1cc(ccc1Cl)C 34a_100011215360_100011215416 [0,2,0,0,0,0|2,0,0]=4 11648 B13R1.2872 CCC(C)Nc1cc(ccc1Cl)Cl 34a_100000184485_100011215416 [0,2,0,0,0,0|2,0,0]=4 11649 B13R1.2872 CCC(C)Nc1cc(ccc1Cl)F 34a_100000751338_100011215416 [0,2,0,0,0,0|2,0,0]=4 11650 B13R1.2872 CCC(C)Nc1cc(ccc1Cl)I 34a_200000761891_100011215416 [0,2,0,0,0,0|2,0,0]=4 11651 B13R1.2872 CCC(C)Nc1cc(ccc1Cl)O 34a_100011934297_100011215416 [0,2,0,0,0,0|2,0,0]=4 11652 B13R1.2872 CCC(C)Nc1cc(ccc1F)Br 34a_100000740924_100011215416 [0,2,0,0,0,0|2,0,0]=4 11653 B13R1.2872 CCC(C)Nc1cc(ccc1F)C 34a_100000211285_100011215416 [0,2,0,0,0,0|2,0,0]=4 11654 B13R1.2872 CCC(C)Nc1cc(ccc1F)Cl 34a_100000212115_100011215416 [0,2,0,0,0,0|2,0,0]=4 11655 B13R1.2872 CCC(C)Nc1cc(ccc1F)F 34a_100000210742_100011215416 [0,2,0,0,0,0|2,0,0]=4 11656 B13R1.2872 CCC(C)Nc1cc(ccc1F)I 34a_100011464823_100011215416 [0,2,0,0,0,0|2,0,0]=4 11657 B13R1.2872 CCC(C)Nc1cc(ccc1F)O 34a_100012017239_100011215416 [0,2,0,0,0,0|2,0,0]=4 11658 B13R1.2872 CCC(C)Nc1cc(ccc1I)Br 34a_100000743836_100011215416 [0,2,0,0,0,0|2,0,0]=4 11659 B13R1.2872 CCC(C)Nc1cc(ccc1I)C 34a_100011216686_100011215416 [0,2,0,0,0,0|2,0,0]=4 11660 B13R1.2872 CCC(C)Nc1cc(ccc1I)Cl 34a_100000761886_100011215416 [0,2,0,0,0,0|2,0,0]=4 11661 B13R1.2872 CCC(C)Nc1cc(ccc1I)F 34a_100011218093_100011215416 [0,2,0,0,0,0|2,0,0]=4 11662 B13R1.2872 CCC(C)Nc1cc(ccc1O)Br 34a_100000752626_100011215416 [0,2,0,0,0,0|2,0,0]=4 11663 B13R1.2872 CCC(C)Nc1cc(ccc1O)C 34a_100011215204_100011215416 [0,2,0,0,0,0|2,0,0]=4 11664 B13R1.2872 CCC(C)Nc1cc(ccc1O)Cl 34a_100000210500_100011215416 [0,2,0,0,0,0|2,0,0]=4 11665 B13R1.2872 CCC(C)Nc1cc(ccc1O)F 34a_100000759472_100011215416 [0,2,0,0,0,0|2,0,0]=4 11666 B13R1.2872 CCC(C)Oc1cc(ccc1Br)Br 34a_100011220040_100011215416 [0,2,0,0,0,0|2,0,0]=4 11667 B13R1.2872 CCC(C)Oc1cc(ccc1Br)Br 7a_100011220040_100000758301 [0,2,0,0,0,0|2,0,0]=4 11668 B13R1.2872 CCC(C)Oc1cc(ccc1Br)C 34a_100012002257_100011215416 [0,2,0,0,0,0|2,0,0]=4 11669 B13R1.2872 CCC(C)Oc1cc(ccc1Br)C 7a_100012002257_100000758301 [0,2,0,0,0,0|2,0,0]=4 11670 B13R1.2872 CCC(C)Oc1cc(ccc1Br)Cl 34a_100012339455_100011215416 [0,2,0,0,0,0|2,0,0]=4 11671 B13R1.2872 CCC(C)Oc1cc(ccc1Br)Cl 7a_100012339455_100000758301 [0,2,0,0,0,0|2,0,0]=4 11672 B13R1.2872 CCC(C)Oc1cc(ccc1Br)F 34a_100000690578_100011215416 [0,2,0,0,0,0|2,0,0]=4 11673 B13R1.2872 CCC(C)Oc1cc(ccc1Br)F 7a_100000690578_100000758301 [0,2,0,0,0,0|2,0,0]=4 11674 B13R1.2872 CCC(C)Oc1cc(ccc1Br)I 34a_100012356990_100011215416 [0,2,0,0,0,0|2,0,0]=4 11675 B13R1.2872 CCC(C)Oc1cc(ccc1Br)I 7a_100012356990_100000758301 [0,2,0,0,0,0|2,0,0]=4 11676 B13R1.2872 CCC(C)Oc1cc(ccc1C)Br 34a_100000685420_100011215416 [0,2,0,0,0,0|2,0,0]=4 11677 B13R1.2872 CCC(C)Oc1cc(ccc1C)Br 7a_100000685420_100000758301 [0,2,0,0,0,0|2,0,0]=4 11678 B13R1.2872 CCC(C)Oc1cc(ccc1C)C 34a_100000210931_100011215416 [0,2,0,0,0,0|2,0,0]=4 11679 B13R1.2872 CCC(C)Oc1cc(ccc1C)C 7a_100000210931_100000758301 [0,2,0,0,0,0|2,0,0]=4 11680 B13R1.2872 CCC(C)Oc1cc(ccc1C)Cl 34a_100000756515_100011215416 [0,2,0,0,0,0|2,0,0]=4 11681 B13R1.2872 CCC(C)Oc1cc(ccc1C)Cl 7a_100000756515_100000758301 [0,2,0,0,0,0|2,0,0]=4 11682 B13R1.2872 CCC(C)Oc1cc(ccc1C)F 34a_100000690566_100011215416 [0,2,0,0,0,0|2,0,0]=4 11683 B13R1.2872 CCC(C)Oc1cc(ccc1C)F 7a_100000690566_100000758301 [0,2,0,0,0,0|2,0,0]=4 11684 B13R1.2872 CCC(C)Oc1cc(ccc1C)I 7a_100000766334_100000758301 [0,2,0,0,0,0|2,0,0]=4 11685 B13R1.2872 CCC(C)Oc1cc(ccc1C)N 34a_100000759471_100011215416 [0,2,0,0,0,0|2,0,0]=4 11686 B13R1.2872 CCC(C)Oc1cc(ccc1C)N 7a_100000759471_100000758301 [0,2,0,0,0,0|2,0,0]=4 11687 B13R1.2872 CCC(C)Oc1cc(ccc1Cl)Br 34a_100000738945_100011215416 [0,2,0,0,0,0|2,0,0]=4 11688 B13R1.2872 CCC(C)Oc1cc(ccc1Cl)Br 7a_100000738945_100000758301 [0,2,0,0,0,0|2,0,0]=4 11689 B13R1.2872 CCC(C)Oc1cc(ccc1Cl)C 34a_100000211493_100011215416 [0,2,0,0,0,0|2,0,0]=4 11690 B13R1.2872 CCC(C)Oc1cc(ccc1Cl)C 7a_100000211493_100000758301 [0,2,0,0,0,0|2,0,0]=4 11691 B13R1.2872 CCC(C)Oc1cc(ccc1Cl)Cl 34a_100000211422_100011215416 [0,2,0,0,0,0|2,0,0]=4 11692 B13R1.2872 CCC(C)Oc1cc(ccc1Cl)Cl 7a_100000211422_100000758301 [0,2,0,0,0,0|2,0,0]=4 11693 B13R1.2872 CCC(C)Oc1cc(ccc1Cl)F 34a_100000692107_100011215416 [0,2,0,0,0,0|2,0,0]=4 11694 B13R1.2872 CCC(C)Oc1cc(ccc1Cl)F 7a_100000692107_100000758301 [0,2,0,0,0,0|2,0,0]=4 11695 B13R1.2872 CCC(C)Oc1cc(ccc1Cl)I 34a_100011356854_100011215416 [0,2,0,0,0,0|2,0,0]=4 11696 B13R1.2872 CCC(C)Oc1cc(ccc1Cl)I 7a_100011356854_100000758301 [0,2,0,0,0,0|2,0,0]=4 11697 B13R1.2872 CCC(C)Oc1cc(ccc1Cl)N 34a_100011934209_100011215416 [0,2,0,0,0,0|2,0,0]=4 11698 B13R1.2872 CCC(C)Oc1cc(ccc1F)Br 34a_100000686035_100011215416 [0,2,0,0,0,0|2,0,0]=4 11699 B13R1.2872 CCC(C)Oc1cc(ccc1F)Br 7a_100000686035_100000758301 [0,2,0,0,0,0|2,0,0]=4 11700 B13R1.2872 CCC(C)Oc1cc(ccc1F)C 34a_100000759540_100011215416 [0,2,0,0,0,0|2,0,0]=4 11701 B13R1.2872 CCC(C)Oc1cc(ccc1F)C 7a_100000759540_100000758301 [0,2,0,0,0,0|2,0,0]=4 11702 B13R1.2872 CCC(C)Oc1cc(ccc1F)Cl 34a_100000757397_100011215416 [0,2,0,0,0,0|2,0,0]=4 11703 B13R1.2872 CCC(C)Oc1cc(ccc1F)Cl 7a_100000757397_100000758301 [0,2,0,0,0,0|2,0,0]=4 11704 B13R1.2872 CCC(C)Oc1cc(ccc1F)F 34a_100000752141_100011215416 [0,2,0,0,0,0|2,0,0]=4 11705 B13R1.2872 CCC(C)Oc1cc(ccc1F)F 7a_100000752141_100000758301 [0,2,0,0,0,0|2,0,0]=4 11706 B13R1.2872 CCC(C)Oc1cc(ccc1F)I 34a_100009958187_100011215416 [0,2,0,0,0,0|2,0,0]=4 11707 B13R1.2872 CCC(C)Oc1cc(ccc1F)I 7a_100009958187_100000758301 [0,2,0,0,0,0|2,0,0]=4 11708 B13R1.2872 CCC(C)Oc1cc(ccc1F)N 34a_100012017398_100011215416 [0,2,0,0,0,0|2,0,0]=4 11709 B13R1.2872 CCC(C)Oc1cc(ccc1F)N 7a_100012017398_100000758301 [0,2,0,0,0,0|2,0,0]=4 11710 B13R1.2872 CCC(C)Oc1cc(ccc1I)Br 34a_100012344904_100011215416 [0,2,0,0,0,0|2,0,0]=4 11711 B13R1.2872 CCC(C)Oc1cc(ccc1I)Br 7a_100012344904_100000758301 [0,2,0,0,0,0|2,0,0]=4 11712 B13R1.2872 CCC(C)Oc1cc(ccc1I)Cl 34a_100000050036_100011215416 [0,2,0,0,0,0|2,0,0]=4 11713 B13R1.2872 CCC(C)Oc1cc(ccc1I)Cl 7a_100000050036_100000758301 [0,2,0,0,0,0|2,0,0]=4 11714 B13R1.2872 CCC(C)Oc1cc(ccc1I)F 34a_100010084537_100011215416 [0,2,0,0,0,0|2,0,0]=4 11715 B13R1.2872 CCC(C)Oc1cc(ccc1I)F 7a_100010084537_100000758301 [0,2,0,0,0,0|2,0,0]=4 11716 B13R1.2872 CCC(C)Oc1cc(ccc1N)Br 34a_100000739049_100011215416 [0,2,0,0,0,0|2,0,0]=4 11717 B13R1.2872 CCC(C)Oc1cc(ccc1N)Br 7a_100000739049_100000758301 [0,2,0,0,0,0|2,0,0]=4 11718 B13R1.2872 CCC(C)Oc1cc(ccc1N)C 34a_100000211527_100011215416 [0,2,0,0,0,0|2,0,0]=4 11719 B13R1.2872 CCC(C)Oc1cc(ccc1N)C 7a_100000211527_100000758301 [0,2,0,0,0,0|2,0,0]=4 11720 B13R1.2872 CCC(C)Oc1cc(ccc1N)Cl 34a_100000185728_100011215416 [0,2,0,0,0,0|2,0,0]=4 11721 B13R1.2872 CCC(C)Oc1cc(ccc1N)Cl 7a_100000185728_100000758301 [0,2,0,0,0,0|2,0,0]=4 11722 B13R1.2872 CCC(C)Oc1cc(ccc1N)F 34a_100000753323_100011215416 [0,2,0,0,0,0|2,0,0]=4 11723 B13R1.2872 CCC(C)Oc1cc(ccc1N)F 7a_100000753323_100000758301 [0,2,0,0,0,0|2,0,0]=4 11724 B13R1.2872 CCC(C)Oc1cc(ccc1N)I 34a_100000057187_100011215416 [0,2,0,0,0,0|2,0,0]=4 11725 B13R1.2872 CCC(C)Oc1cc(ccc1N)I 7a_100000057187_100000758301 [0,2,0,0,0,0|2,0,0]=4 11726 B13R1.2872 CCC(C)Oc1cc(ccc1N)N 34a_100025717382_100011215416 [0,2,0,0,0,0|2,0,0]=4 11727 B13R1.2872 CCC(C)Sc1cc(ccc1Br)Br 62a_100000758301_100011483371 [0,2,0,0,0,0|2,0,0]=4 11728 B13R1.2872 CCC(C)Sc1cc(ccc1Br)Br 62a_100011483371_100000758301 [0,2,0,0,0,0|2,0,0]=4 11729 B13R1.2872 CCC(C)Sc1cc(ccc1Br)C 62a_100000758301_100012353751 [0,2,0,0,0,0|2,0,0]=4 11730 B13R1.2872 CCC(C)Sc1cc(ccc1Br)C 62a_100012353751_100000758301 [0,2,0,0,0,0|2,0,0]=4 11731 B13R1.2872 CCC(C)Sc1cc(ccc1Br)Cl 62a_100000758301_100012339723 [0,2,0,0,0,0|2,0,0]=4 11732 B13R1.2872 CCC(C)Sc1cc(ccc1Br)Cl 62a_100012339723_100000758301 [0,2,0,0,0,0|2,0,0]=4 11733 B13R1.2872 CCC(C)Sc1cc(ccc1Br)F 62a_100000758301_100011217576 [0,2,0,0,0,0|2,0,0]=4 11734 B13R1.2872 CCC(C)Sc1cc(ccc1Br)F 62a_100011217576_100000758301 [0,2,0,0,0,0|2,0,0]=4 11735 B13R1.2872 CCC(C)Sc1cc(ccc1Br)N 62a_100000750459_100000758301 [0,2,0,0,0,0|2,0,0]=4 11736 B13R1.2872 CCC(C)Sc1cc(ccc1Br)N 62a_100000758301_100000750459 [0,2,0,0,0,0|2,0,0]=4 11737 B13R1.2872 CCC(C)Sc1cc(ccc1Br)O 62a_100000758301_100012339312 [0,2,0,0,0,0|2,0,0]=4 11738 B13R1.2872 CCC(C)Sc1cc(ccc1Br)O 62a_100012339312_100000758301 [0,2,0,0,0,0|2,0,0]=4 11739 B13R1.2872 CCC(C)Sc1cc(ccc1C)Br 62a_100000758301_100011344865 [0,2,0,0,0,0|2,0,0]=4 11740 B13R1.2872 CCC(C)Sc1cc(ccc1C)Br 62a_100011344865_100000758301 [0,2,0,0,0,0|2,0,0]=4 11741 B13R1.2872 CCC(C)Sc1cc(ccc1C)C 62a_100000210833_100000758301 [0,2,0,0,0,0|2,0,0]=4 11742 B13R1.2872 CCC(C)Sc1cc(ccc1C)C 62a_100000758301_100000210833 [0,2,0,0,0,0|2,0,0]=4 11743 B13R1.2872 CCC(C)Sc1cc(ccc1C)Cl 62a_100000758301_100011263213 [0,2,0,0,0,0|2,0,0]=4 11744 B13R1.2872 CCC(C)Sc1cc(ccc1C)Cl 62a_100011263213_100000758301 [0,2,0,0,0,0|2,0,0]=4 11745 B13R1.2872 CCC(C)Sc1cc(ccc1C)F 62a_100000758301_100011218078 [0,2,0,0,0,0|2,0,0]=4 11746 B13R1.2872 CCC(C)Sc1cc(ccc1C)F 62a_100011218078_100000758301 [0,2,0,0,0,0|2,0,0]=4 11747 B13R1.2872 CCC(C)Sc1cc(ccc1C)N 62a_100000736455_100000758301 [0,2,0,0,0,0|2,0,0]=4 11748 B13R1.2872 CCC(C)Sc1cc(ccc1C)N 62a_100000758301_100000736455 [0,2,0,0,0,0|2,0,0]=4 11749 B13R1.2872 CCC(C)Sc1cc(ccc1C)O 62a_100000758301_100011380479 [0,2,0,0,0,0|2,0,0]=4 11750 B13R1.2872 CCC(C)Sc1cc(ccc1C)O 62a_100011380479_100000758301 [0,2,0,0,0,0|2,0,0]=4 11751 B13R1.2872 CCC(C)Sc1cc(ccc1Cl)Br 62a_100000758301_100011772130 [0,2,0,0,0,0|2,0,0]=4 11752 B13R1.2872 CCC(C)Sc1cc(ccc1Cl)Br 62a_100011772130_100000758301 [0,2,0,0,0,0|2,0,0]=4 11753 B13R1.2872 CCC(C)Sc1cc(ccc1Cl)C 62a_100000758301_100012356289 [0,2,0,0,0,0|2,0,0]=4 11754 B13R1.2872 CCC(C)Sc1cc(ccc1Cl)C 62a_100012356289_100000758301 [0,2,0,0,0,0|2,0,0]=4 11755 B13R1.2872 CCC(C)Sc1cc(ccc1Cl)Cl 62a_100000707729_100000758301 [0,2,0,0,0,0|2,0,0]=4 11756 B13R1.2872 CCC(C)Sc1cc(ccc1Cl)Cl 62a_100000758301_100000707729 [0,2,0,0,0,0|2,0,0]=4 11757 B13R1.2872 CCC(C)Sc1cc(ccc1Cl)F 62a_100000758301_100011217299 [0,2,0,0,0,0|2,0,0]=4 11758 B13R1.2872 CCC(C)Sc1cc(ccc1Cl)F 62a_100011217299_100000758301 [0,2,0,0,0,0|2,0,0]=4 11759 B13R1.2872 CCC(C)Sc1cc(ccc1Cl)N 62a_100000758301_100012360549 [0,2,0,0,0,0|2,0,0]=4 11760 B13R1.2872 CCC(C)Sc1cc(ccc1Cl)N 62a_100012360549_100000758301 [0,2,0,0,0,0|2,0,0]=4 11761 B13R1.2872 CCC(C)Sc1cc(ccc1Cl)O 62a_100000049588_100000758301 [0,2,0,0,0,0|2,0,0]=4 11762 B13R1.2872 CCC(C)Sc1cc(ccc1Cl)O 62a_100000758301_100000049588 [0,2,0,0,0,0|2,0,0]=4 11763 B13R1.2872 CCC(C)Sc1cc(ccc1F)Br 62a_100000758301_100011217312 [0,2,0,0,0,0|2,0,0]=4 11764 B13R1.2872 CCC(C)Sc1cc(ccc1F)Br 62a_100011217312_100000758301 [0,2,0,0,0,0|2,0,0]=4 11765 B13R1.2872 CCC(C)Sc1cc(ccc1F)C 62a_100000736223_100000758301 [0,2,0,0,0,0|2,0,0]=4 11766 B13R1.2872 CCC(C)Sc1cc(ccc1F)C 62a_100000758301_100000736223 [0,2,0,0,0,0|2,0,0]=4 11767 B13R1.2872 CCC(C)Sc1cc(ccc1F)Cl 62a_100000758301_100011218116 [0,2,0,0,0,0|2,0,0]=4 11768 B13R1.2872 CCC(C)Sc1cc(ccc1F)Cl 62a_100011218116_100000758301 [0,2,0,0,0,0|2,0,0]=4 11769 B13R1.2872 CCC(C)Sc1cc(ccc1F)F 62a_100000758301_100011219198 [0,2,0,0,0,0|2,0,0]=4 11770 B13R1.2872 CCC(C)Sc1cc(ccc1F)F 62a_100011219198_100000758301 [0,2,0,0,0,0|2,0,0]=4 11771 B13R1.2872 CCC(C)Sc1cc(ccc1F)N 62a_100000758301_100000760356 [0,2,0,0,0,0|2,0,0]=4 11772 B13R1.2872 CCC(C)Sc1cc(ccc1F)N 62a_100000760356_100000758301 [0,2,0,0,0,0|2,0,0]=4 11773 B13R1.2872 CCC(C)Sc1cc(ccc1F)O 62a_100000693481_100000758301 [0,2,0,0,0,0|2,0,0]=4 11774 B13R1.2872 CCC(C)Sc1cc(ccc1F)O 62a_100000758301_100000693481 [0,2,0,0,0,0|2,0,0]=4 11775 B13R1.2872 CCC(C)Sc1cc(ccc1N)Br 62a_100000187925_100000758301 [0,2,0,0,0,0|2,0,0]=4 11776 B13R1.2872 CCC(C)Sc1cc(ccc1N)Br 62a_100000758301_100000187925 [0,2,0,0,0,0|2,0,0]=4 11777 B13R1.2872 CCC(C)Sc1cc(ccc1N)C 62a_100000758301_100011356834 [0,2,0,0,0,0|2,0,0]=4 11778 B13R1.2872 CCC(C)Sc1cc(ccc1N)C 62a_100011356834_100000758301 [0,2,0,0,0,0|2,0,0]=4 11779 B13R1.2872 CCC(C)Sc1cc(ccc1N)Cl 62a_100000758301_100000761889 [0,2,0,0,0,0|2,0,0]=4 11780 B13R1.2872 CCC(C)Sc1cc(ccc1N)Cl 62a_100000761889_100000758301 [0,2,0,0,0,0|2,0,0]=4 11781 B13R1.2872 CCC(C)Sc1cc(ccc1N)F 62a_100000758301_100000760547 [0,2,0,0,0,0|2,0,0]=4 11782 B13R1.2872 CCC(C)Sc1cc(ccc1N)F 62a_100000760547_100000758301 [0,2,0,0,0,0|2,0,0]=4 11783 B13R1.2872 CCC(C)Sc1cc(ccc1N)N 62a_100000758301_100011534242 [0,2,0,0,0,0|2,0,0]=4 11784 B13R1.2872 CCC(C)Sc1cc(ccc1N)N 62a_100011534242_100000758301 [0,2,0,0,0,0|2,0,0]=4 11785 B13R1.2872 CCC(C)Sc1cc(ccc1N)O 62a_100000758301_100012001276 [0,2,0,0,0,0|2,0,0]=4 11786 B13R1.2872 CCC(C)Sc1cc(ccc1N)O 62a_100012001276_100000758301 [0,2,0,0,0,0|2,0,0]=4 11787 B13R1.2872 CCC(C)Sc1cc(ccc1O)Br 62a_100000758301_100012355227 [0,2,0,0,0,0|2,0,0]=4 11788 B13R1.2872 CCC(C)Sc1cc(ccc1O)Br 62a_100012355227_100000758301 [0,2,0,0,0,0|2,0,0]=4 11789 B13R1.2872 CCC(C)Sc1cc(ccc1O)C 62a_100000758301_100000765521 [0,2,0,0,0,0|2,0,0]=4 11790 B13R1.2872 CCC(C)Sc1cc(ccc1O)C 62a_100000765521_100000758301 [0,2,0,0,0,0|2,0,0]=4 11791 B13R1.2872 CCC(C)Sc1cc(ccc1O)Cl 62a_100000758301_100011356953 [0,2,0,0,0,0|2,0,0]=4 11792 B13R1.2872 CCC(C)Sc1cc(ccc1O)Cl 62a_100011356953_100000758301 [0,2,0,0,0,0|2,0,0]=4 11793 B13R1.2872 CCC(C)Sc1cc(ccc1O)F 62a_100000211999_100000758301 [0,2,0,0,0,0|2,0,0]=4 11794 B13R1.2872 CCC(C)Sc1cc(ccc1O)F 62a_100000758301_100000211999 [0,2,0,0,0,0|2,0,0]=4 11795 B13R1.2872 CCC(C)Sc1cc(ccc1O)N 62a_100000758301_100011534360 [0,2,0,0,0,0|2,0,0]=4 11796 B13R1.2872 CCC(C)Sc1cc(ccc1O)N 62a_100011534360_100000758301 [0,2,0,0,0,0|2,0,0]=4 11797 B13R1.2872 CCC(C)Sc1cc(ccc1O)O 62a_100000758301_100009813629 [0,2,0,0,0,0|2,0,0]=4 11798 B13R1.2872 CCN(C)Cc1cc(ccc1Br)Br 2230a_100000225621_100011982794 [0,2,0,0,0,0|2,0,0]=4 11799 B13R1.2872 CCN(C)Cc1cc(ccc1Br)Br 269982a_100000225621_100011982794 [0,2,0,0,0,0|2,0,0]=4 11800 B13R1.2872 CCN(C)Cc1cc(ccc1Br)Br 26a_100000225621_100011220040 [0,2,0,0,0,0|2,0,0]=4 11801 B13R1.2872 CCN(C)Cc1cc(ccc1Br)C 26a_100000225621_100012002257 [0,2,0,0,0,0|2,0,0]=4 11802 B13R1.2872 CCN(C)Cc1cc(ccc1Br)Cl 2230a_100000225621_100000733903 [0,2,0,0,0,0|2,0,0]=4 11803 B13R1.2872 CCN(C)Cc1cc(ccc1Br)Cl 2230a_100000711432_100000210202 [0,2,0,0,0,0|2,0,0]=4 11804 B13R1.2872 CCN(C)Cc1cc(ccc1Br)Cl 269982a_100000225621_100000733903 [0,2,0,0,0,0|2,0,0]=4 11805 B13R1.2872 CCN(C)Cc1cc(ccc1Br)Cl 269982a_100000711432_100000204670 [0,2,0,0,0,0|2,0,0]=4 11806 B13R1.2872 CCN(C)Cc1cc(ccc1Br)Cl 26a_100000225621_100012339455 [0,2,0,0,0,0|2,0,0]=4 11807 B13R1.2872 CCN(C)Cc1cc(ccc1Br)F 2230a_100000225621_100000736370 [0,2,0,0,0,0|2,0,0]=4 11808 B13R1.2872 CCN(C)Cc1cc(ccc1Br)F 269982a_100000225621_100000736370 [0,2,0,0,0,0|2,0,0]=4 11809 B13R1.2872 CCN(C)Cc1cc(ccc1Br)F 26a_100000225621_100000690578 [0,2,0,0,0,0|2,0,0]=4 11810 B13R1.2872 CCN(C)Cc1cc(ccc1Br)I 2230a_100000225621_100012355412 [0,2,0,0,0,0|2,0,0]=4 11811 B13R1.2872 CCN(C)Cc1cc(ccc1Br)I 269982a_100000225621_100012355412 [0,2,0,0,0,0|2,0,0]=4 11812 B13R1.2872 CCN(C)Cc1cc(ccc1Br)I 26a_100000225621_100012356990 [0,2,0,0,0,0|2,0,0]=4 11813 B13R1.2872 CCN(C)Cc1cc(ccc1C)Br 2230a_106744473289_100000210202 [0,2,0,0,0,0|2,0,0]=4 11814 B13R1.2872 CCN(C)Cc1cc(ccc1C)Br 269982a_106744473289_100000204670 [0,2,0,0,0,0|2,0,0]=4 11815 B13R1.2872 CCN(C)Cc1cc(ccc1C)Br 26a_100000225621_100000685420 [0,2,0,0,0,0|2,0,0]=4 11816 B13R1.2872 CCN(C)Cc1cc(ccc1C)C 2230a_100000225621_100000184699 [0,2,0,0,0,0|2,0,0]=4 11817 B13R1.2872 CCN(C)Cc1cc(ccc1C)C 269982a_100000225621_100000184699 [0,2,0,0,0,0|2,0,0]=4 11818 B13R1.2872 CCN(C)Cc1cc(ccc1C)Cl 2230a_100000225621_100012186985 [0,2,0,0,0,0|2,0,0]=4 11819 B13R1.2872 CCN(C)Cc1cc(ccc1C)Cl 269982a_100000225621_100012186985 [0,2,0,0,0,0|2,0,0]=4 11820 B13R1.2872 CCN(C)Cc1cc(ccc1C)F 2230a_100000225621_100000709795 [0,2,0,0,0,0|2,0,0]=4 11821 B13R1.2872 CCN(C)Cc1cc(ccc1C)F 269982a_100000225621_100000709795 [0,2,0,0,0,0|2,0,0]=4 11822 B13R1.2872 CCN(C)Cc1cc(ccc1Cl)Br 2230a_100000225621_100000763347 [0,2,0,0,0,0|2,0,0]=4 11823 B13R1.2872 CCN(C)Cc1cc(ccc1Cl)Br 269982a_100000225621_100000763347 [0,2,0,0,0,0|2,0,0]=4 11824 B13R1.2872 CCN(C)Cc1cc(ccc1Cl)Br 26a_100000225621_100000738945 [0,2,0,0,0,0|2,0,0]=4 11825 B13R1.2872 CCN(C)Cc1cc(ccc1Cl)C 2230a_100000225621_100009871730 [0,2,0,0,0,0|2,0,0]=4 11826 B13R1.2872 CCN(C)Cc1cc(ccc1Cl)C 269982a_100000225621_100009871730 [0,2,0,0,0,0|2,0,0]=4 11827 B13R1.2872 CCN(C)Cc1cc(ccc1Cl)C 26a_100000225621_100000211493 [0,2,0,0,0,0|2,0,0]=4 11828 B13R1.2872 CCN(C)Cc1cc(ccc1Cl)Cl 2230a_100000225621_100000756322 [0,2,0,0,0,0|2,0,0]=4 11829 B13R1.2872 CCN(C)Cc1cc(ccc1Cl)Cl 2230a_106354212996_100000210202 [0,2,0,0,0,0|2,0,0]=4 11830 B13R1.2872 CCN(C)Cc1cc(ccc1Cl)Cl 269982a_100000225621_100000754809 [0,2,0,0,0,0|2,0,0]=4 11831 B13R1.2872 CCN(C)Cc1cc(ccc1Cl)Cl 269982a_106354212996_100000204670 [0,2,0,0,0,0|2,0,0]=4 11832 B13R1.2872 CCN(C)Cc1cc(ccc1Cl)Cl 26a_100000225621_100000211422 [0,2,0,0,0,0|2,0,0]=4 11833 B13R1.2872 CCN(C)Cc1cc(ccc1Cl)Cl 34a_106354212996_100000210202 [0,2,0,0,0,0|2,0,0]=4 11834 B13R1.2872 CCN(C)Cc1cc(ccc1Cl)F 2230a_100000225621_100000709952 [0,2,0,0,0,0|2,0,0]=4 11835 B13R1.2872 CCN(C)Cc1cc(ccc1Cl)F 269982a_100000225621_100000709952 [0,2,0,0,0,0|2,0,0]=4 11836 B13R1.2872 CCN(C)Cc1cc(ccc1Cl)F 26a_100000225621_100000692107 [0,2,0,0,0,0|2,0,0]=4 11837 B13R1.2872 CCN(C)Cc1cc(ccc1Cl)I 2230a_100000225621_100010188191 [0,2,0,0,0,0|2,0,0]=4 11838 B13R1.2872 CCN(C)Cc1cc(ccc1Cl)I 269982a_100000225621_100010188191 [0,2,0,0,0,0|2,0,0]=4 11839 B13R1.2872 CCN(C)Cc1cc(ccc1F)Br 2230a_100000225621_100000736399 [0,2,0,0,0,0|2,0,0]=4 11840 B13R1.2872 CCN(C)Cc1cc(ccc1F)Br 2230a_100000748472_100000210202 [0,2,0,0,0,0|2,0,0]=4 11841 B13R1.2872 CCN(C)Cc1cc(ccc1F)Br 2230a_100000748473_200000210301 [0,2,0,0,0,0|2,0,0]=4 11842 B13R1.2872 CCN(C)Cc1cc(ccc1F)Br 269982a_100000225621_100000736399 [0,2,0,0,0,0|2,0,0]=4 11843 B13R1.2872 CCN(C)Cc1cc(ccc1F)Br 269982a_100000748472_100000204670 [0,2,0,0,0,0|2,0,0]=4 11844 B13R1.2872 CCN(C)Cc1cc(ccc1F)Br 269982a_100000748473_200000210301 [0,2,0,0,0,0|2,0,0]=4 11845 B13R1.2872 CCN(C)Cc1cc(ccc1F)Br 26a_100000225621_100000686035 [0,2,0,0,0,0|2,0,0]=4 11846 B13R1.2872 CCN(C)Cc1cc(ccc1F)Br 34a_100000748472_100000210202 [0,2,0,0,0,0|2,0,0]=4 11847 B13R1.2872 CCN(C)Cc1cc(ccc1F)Br 34a_100000748473_200000210301 [0,2,0,0,0,0|2,0,0]=4 11848 B13R1.2872 CCN(C)Cc1cc(ccc1F)C 2230a_100000225621_100011260760 [0,2,0,0,0,0|2,0,0]=4 11849 B13R1.2872 CCN(C)Cc1cc(ccc1F)C 2230a_102515433075_100000210202 [0,2,0,0,0,0|2,0,0]=4 11850 B13R1.2872 CCN(C)Cc1cc(ccc1F)C 269982a_100000225621_100011260760 [0,2,0,0,0,0|2,0,0]=4 11851 B13R1.2872 CCN(C)Cc1cc(ccc1F)C 269982a_102515433075_100000204670 [0,2,0,0,0,0|2,0,0]=4 11852 B13R1.2872 CCN(C)Cc1cc(ccc1F)C 34a_102515433075_100000210202 [0,2,0,0,0,0|2,0,0]=4 11853 B13R1.2872 CCN(C)Cc1cc(ccc1F)Cl 2230a_100000225621_100000716957 [0,2,0,0,0,0|2,0,0]=4 11854 B13R1.2872 CCN(C)Cc1cc(ccc1F)Cl 269982a_100000225621_100000716957 [0,2,0,0,0,0|2,0,0]=4 11855 B13R1.2872 CCN(C)Cc1cc(ccc1F)F 2230a_100000225621_100000741279 [0,2,0,0,0,0|2,0,0]=4 11856 B13R1.2872 CCN(C)Cc1cc(ccc1F)F 2230a_100000724026_100000210202 [0,2,0,0,0,0|2,0,0]=4 11857 B13R1.2872 CCN(C)Cc1cc(ccc1F)F 269982a_100000225621_100000685659 [0,2,0,0,0,0|2,0,0]=4 11858 B13R1.2872 CCN(C)Cc1cc(ccc1F)F 269982a_100000724026_100000204670 [0,2,0,0,0,0|2,0,0]=4 11859 B13R1.2872 CCN(C)Cc1cc(ccc1F)F 34a_100000724026_100000210202 [0,2,0,0,0,0|2,0,0]=4 11860 B13R1.2872 CCN(C)Cc1cc(ccc1F)I 2230a_100000225621_200010149601 [0,2,0,0,0,0|2,0,0]=4 11861 B13R1.2872 CCN(C)Cc1cc(ccc1F)I 269982a_100000225621_200010149601 [0,2,0,0,0,0|2,0,0]=4 11862 B13R1.2872 CCN(C)Cc1cc(ccc1I)Br 2230a_100000225621_100012362523 [0,2,0,0,0,0|2,0,0]=4 11863 B13R1.2872 CCN(C)Cc1cc(ccc1I)Br 269982a_100000225621_100012362523 [0,2,0,0,0,0|2,0,0]=4 11864 B13R1.2872 CCN(C)Cc1cc(ccc1I)Br 26a_100000225621_100012344904 [0,2,0,0,0,0|2,0,0]=4 11865 B13R1.2872 CCN(C)Cc1cc(ccc1I)Cl 2230a_100000225621_100012348826 [0,2,0,0,0,0|2,0,0]=4 11866 B13R1.2872 CCN(C)Cc1cc(ccc1I)Cl 269982a_100000225621_100012348826 [0,2,0,0,0,0|2,0,0]=4 11867 B13R1.2872 CCN(C)Cc1cc(ccc1I)F 2230a_100000225621_100010149606 [0,2,0,0,0,0|2,0,0]=4 11868 B13R1.2872 CCN(C)Cc1cc(ccc1I)F 269982a_100000225621_100010149606 [0,2,0,0,0,0|2,0,0]=4 11869 B13R1.2872 CCN(C)Cc1cc(ccc1O)Br 2230a_100000765307_200000210301 [0,2,0,0,0,0|2,0,0]=4 11870 B13R1.2872 CCN(C)Cc1cc(ccc1O)Br 2230a_100011602694_100000210202 [0,2,0,0,0,0|2,0,0]=4 11871 B13R1.2872 CCN(C)Cc1cc(ccc1O)Br 269982a_100000765307_200000210301 [0,2,0,0,0,0|2,0,0]=4 11872 B13R1.2872 CCN(C)Cc1cc(ccc1O)Br 269982a_100011602694_100000204670 [0,2,0,0,0,0|2,0,0]=4 11873 B13R1.2872 CCN(C)Cc1cc(ccc1O)Cl 2230a_100000712467_100000210202 [0,2,0,0,0,0|2,0,0]=4 11874 B13R1.2872 CCN(C)Cc1cc(ccc1O)Cl 2230a_100011223571_200000210301 [0,2,0,0,0,0|2,0,0]=4 11875 B13R1.2872 CCN(C)Cc1cc(ccc1O)Cl 269982a_100000712467_100000204670 [0,2,0,0,0,0|2,0,0]=4 11876 B13R1.2872 CCN(C)Cc1cc(ccc1O)Cl 269982a_100011223571_200000210301 [0,2,0,0,0,0|2,0,0]=4 11877 B13R1.2872 CCN(C)Cc1cc(ccc1O)F 2230a_100012769503_200000210301 [0,2,0,0,0,0|2,0,0]=4 11878 B13R1.2872 CCN(C)Cc1cc(ccc1O)F 2230a_114855342409_100000210202 [0,2,0,0,0,0|2,0,0]=4 11879 B13R1.2872 CCN(C)Cc1cc(ccc1O)F 269982a_100000225621_100010161318 [0,2,0,0,0,0|2,0,0]=4 11880 B13R1.2872 CCN(C)Cc1cc(ccc1O)F 269982a_100012769503_200000210301 [0,2,0,0,0,0|2,0,0]=4 11881 B13R1.2872 CCN(C)Cc1cc(ccc1O)F 269982a_114855342409_100000204670 [0,2,0,0,0,0|2,0,0]=4 11882 B13R1.2872 CCN(C)Cc1cc(ccc1O)F 34a_100012769503_200000210301 [0,2,0,0,0,0|2,0,0]=4 11883 B13R1.2872 CCN(C)Cc1cc(ccc1O)F 34a_114855342409_100000210202 [0,2,0,0,0,0|2,0,0]=4 11884 B13R1.2872 CCN([13CH3])Cc1cc(ccc1F)Br 2230a_100000748473_200025704644 [0,2,0,0,0,0|2,0,0]=4 11885 B13R1.2872 CCN([13CH3])Cc1cc(ccc1F)Br 269982a_100000748473_200025704644 [0,2,0,0,0,0|2,0,0]=4 11886 B13R1.2872 CCN([13CH3])Cc1cc(ccc1F)Br 34a_100000748473_200025704644 [0,2,0,0,0,0|2,0,0]=4 11887 B13R1.2872 CCN([13CH3])Cc1cc(ccc1O)Br 2230a_100000765307_200025704644 [0,2,0,0,0,0|2,0,0]=4 11888 B13R1.2872 CCN([13CH3])Cc1cc(ccc1O)Br 269982a_100000765307_200025704644 [0,2,0,0,0,0|2,0,0]=4 11889 B13R1.2872 CCN([13CH3])Cc1cc(ccc1O)Cl 2230a_100011223571_200025704644 [0,2,0,0,0,0|2,0,0]=4 11890 B13R1.2872 CCN([13CH3])Cc1cc(ccc1O)Cl 269982a_100011223571_200025704644 [0,2,0,0,0,0|2,0,0]=4 11891 B13R1.2872 CCN([13CH3])Cc1cc(ccc1O)F 2230a_100012769503_200025704644 [0,2,0,0,0,0|2,0,0]=4 11892 B13R1.2872 CCN([13CH3])Cc1cc(ccc1O)F 269982a_100012769503_200025704644 [0,2,0,0,0,0|2,0,0]=4 11893 B13R1.2872 CCN([13CH3])Cc1cc(ccc1O)F 34a_100012769503_200025704644 [0,2,0,0,0,0|2,0,0]=4 11894 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)Br 11a_106832991635_100010004897 [0,2,0,0,0,0|1,0,1]=4 11895 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)Br 240690a_100102657272_100010004897 [0,2,0,0,0,0|1,0,1]=4 11896 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)Br 527a_100102657272_100010004897 [0,2,0,0,0,0|1,0,1]=4 11897 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)C 11a_106832991635_100010004923 [0,2,0,0,0,0|1,0,1]=4 11898 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)C 1626a_100102657272_100010004923 [0,2,0,0,0,0|1,0,1]=4 11899 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)C 240690a_100102657272_100010004923 [0,2,0,0,0,0|1,0,1]=4 11900 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)C 527a_100102657272_100010004923 [0,2,0,0,0,0|1,0,1]=4 11901 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)Cl 11a_106832991635_100000690875 [0,2,0,0,0,0|1,0,1]=4 11902 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)Cl 1626a_100102657272_100000690875 [0,2,0,0,0,0|1,0,1]=4 11903 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)Cl 240690a_100102657272_100000690875 [0,2,0,0,0,0|1,0,1]=4 11904 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)Cl 527a_100102657272_100000690875 [0,2,0,0,0,0|1,0,1]=4 11905 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)F 11a_106832991635_100000690878 [0,2,0,0,0,0|1,0,1]=4 11906 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)F 1626a_100102657272_100000690878 [0,2,0,0,0,0|1,0,1]=4 11907 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)F 240690a_100102657272_100000690878 [0,2,0,0,0,0|1,0,1]=4 11908 B13R1.2872 CNC(=O)Cc1cc(ccc1Br)F 527a_100102657272_100000690878 [0,2,0,0,0,0|1,0,1]=4 11909 B13R1.2872 CNC(=O)Cc1cc(ccc1C)Br 11a_106832991635_100010244045 [0,2,0,0,0,0|1,0,1]=4 11910 B13R1.2872 CNC(=O)Cc1cc(ccc1C)Br 1626a_100102657272_100010244045 [0,2,0,0,0,0|1,0,1]=4 11911 B13R1.2872 CNC(=O)Cc1cc(ccc1C)Br 240690a_100102657272_100010244045 [0,2,0,0,0,0|1,0,1]=4 11912 B13R1.2872 CNC(=O)Cc1cc(ccc1C)Br 527a_100102657272_100010244045 [0,2,0,0,0,0|1,0,1]=4 11913 B13R1.2872 CNC(=O)Cc1cc(ccc1C)C 11a_106832991635_100000749331 [0,2,0,0,0,0|1,0,1]=4 11914 B13R1.2872 CNC(=O)Cc1cc(ccc1C)C 1626a_100102657272_100000749331 [0,2,0,0,0,0|1,0,1]=4 11915 B13R1.2872 CNC(=O)Cc1cc(ccc1C)C 240690a_100102657272_100000749331 [0,2,0,0,0,0|1,0,1]=4 11916 B13R1.2872 CNC(=O)Cc1cc(ccc1C)C 527a_100102657272_100000749331 [0,2,0,0,0,0|1,0,1]=4 11917 B13R1.2872 CNC(=O)Cc1cc(ccc1C)F 11a_106832991635_100011219217 [0,2,0,0,0,0|1,0,1]=4 11918 B13R1.2872 CNC(=O)Cc1cc(ccc1C)F 1626a_100102657272_100011219217 [0,2,0,0,0,0|1,0,1]=4 11919 B13R1.2872 CNC(=O)Cc1cc(ccc1C)F 240690a_100102657272_100011219217 [0,2,0,0,0,0|1,0,1]=4 11920 B13R1.2872 CNC(=O)Cc1cc(ccc1C)F 527a_100102657272_100011219217 [0,2,0,0,0,0|1,0,1]=4 11921 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)Br 11a_106832991635_100011600618 [0,2,0,0,0,0|1,0,1]=4 11922 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)Br 1626a_100102657272_100011600618 [0,2,0,0,0,0|1,0,1]=4 11923 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)Br 240690a_100102657272_100011600618 [0,2,0,0,0,0|1,0,1]=4 11924 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)Br 527a_100102657272_100011600618 [0,2,0,0,0,0|1,0,1]=4 11925 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)Cl 11a_106832991635_100000748246 [0,2,0,0,0,0|1,0,1]=4 11926 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)Cl 1626a_100102657272_100000748246 [0,2,0,0,0,0|1,0,1]=4 11927 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)Cl 240690a_100102657272_100000748246 [0,2,0,0,0,0|1,0,1]=4 11928 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)Cl 527a_100102657272_100000748246 [0,2,0,0,0,0|1,0,1]=4 11929 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)F 11a_106832991635_100011830335 [0,2,0,0,0,0|1,0,1]=4 11930 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)F 1626a_100102657272_100011830335 [0,2,0,0,0,0|1,0,1]=4 11931 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)F 240690a_100102657272_100011830335 [0,2,0,0,0,0|1,0,1]=4 11932 B13R1.2872 CNC(=O)Cc1cc(ccc1Cl)F 527a_100102657272_100011830335 [0,2,0,0,0,0|1,0,1]=4 11933 B13R1.2872 CNC(=O)Cc1cc(ccc1F)Br 11a_106832991635_100000690877 [0,2,0,0,0,0|1,0,1]=4 11934 B13R1.2872 CNC(=O)Cc1cc(ccc1F)Br 1626a_100102657272_100000690877 [0,2,0,0,0,0|1,0,1]=4 11935 B13R1.2872 CNC(=O)Cc1cc(ccc1F)Br 240690a_100102657272_100000690877 [0,2,0,0,0,0|1,0,1]=4 11936 B13R1.2872 CNC(=O)Cc1cc(ccc1F)Br 527a_100102657272_100000690877 [0,2,0,0,0,0|1,0,1]=4 11937 B13R1.2872 CNC(=O)Cc1cc(ccc1F)C 11a_106832991635_100011667363 [0,2,0,0,0,0|1,0,1]=4 11938 B13R1.2872 CNC(=O)Cc1cc(ccc1F)C 1626a_100102657272_100011667363 [0,2,0,0,0,0|1,0,1]=4 11939 B13R1.2872 CNC(=O)Cc1cc(ccc1F)C 240690a_100102657272_100011667363 [0,2,0,0,0,0|1,0,1]=4 11940 B13R1.2872 CNC(=O)Cc1cc(ccc1F)C 527a_100102657272_100011667363 [0,2,0,0,0,0|1,0,1]=4 11941 B13R1.2872 CNC(=O)Cc1cc(ccc1F)Cl 11a_106832991635_100011217548 [0,2,0,0,0,0|1,0,1]=4 11942 B13R1.2872 CNC(=O)Cc1cc(ccc1F)Cl 1626a_100102657272_100011217548 [0,2,0,0,0,0|1,0,1]=4 11943 B13R1.2872 CNC(=O)Cc1cc(ccc1F)Cl 240690a_100102657272_100011217548 [0,2,0,0,0,0|1,0,1]=4 11944 B13R1.2872 CNC(=O)Cc1cc(ccc1F)Cl 527a_100102657272_100011217548 [0,2,0,0,0,0|1,0,1]=4 11945 B13R1.2872 CNC(=O)Cc1cc(ccc1F)F 11a_106832991635_100000762760 [0,2,0,0,0,0|1,0,1]=4 11946 B13R1.2872 CNC(=O)Cc1cc(ccc1F)F 1626a_100102657272_100000762760 [0,2,0,0,0,0|1,0,1]=4 11947 B13R1.2872 CNC(=O)Cc1cc(ccc1F)F 240690a_100102657272_100000762760 [0,2,0,0,0,0|1,0,1]=4 11948 B13R1.2872 CNC(=O)Cc1cc(ccc1F)F 527a_100102657272_100000762760 [0,2,0,0,0,0|1,0,1]=4 11949 B13R1.2872 CNC(=O)Cc1cc(ccc1O)Br 240690a_100102657272_100010072483 [0,2,0,0,0,0|1,0,1]=4 11950 B13R1.2872 CNC(C)Cc1cc(ccc1Cl)Cl 270004a_106832991635_200012258975 [0,2,0,0,0,0|0,0,0]=2 11951 B13R1.2872 CNC(C)Cc1cc(ccc1F)F 270004a_106832991635_200011522264 [0,2,0,0,0,0|0,0,0]=2 11952 B13R1.2872 COC(C)Sc1cc(ccc1Br)Br 62a_100009879195_100011483371 [0,2,0,0,0,0|2,0,0]=4 11953 B13R1.2872 COC(C)Sc1cc(ccc1Br)Br 62a_100011483371_100009879195 [0,2,0,0,0,0|2,0,0]=4 11954 B13R1.2872 COC(C)Sc1cc(ccc1Br)C 62a_100009879195_100012353751 [0,2,0,0,0,0|2,0,0]=4 11955 B13R1.2872 COC(C)Sc1cc(ccc1Br)C 62a_100012353751_100009879195 [0,2,0,0,0,0|2,0,0]=4 11956 B13R1.2872 COC(C)Sc1cc(ccc1Br)Cl 62a_100009879195_100012339723 [0,2,0,0,0,0|2,0,0]=4 11957 B13R1.2872 COC(C)Sc1cc(ccc1Br)Cl 62a_100012339723_100009879195 [0,2,0,0,0,0|2,0,0]=4 11958 B13R1.2872 COC(C)Sc1cc(ccc1Br)F 62a_100009879195_100011217576 [0,2,0,0,0,0|2,0,0]=4 11959 B13R1.2872 COC(C)Sc1cc(ccc1Br)F 62a_100011217576_100009879195 [0,2,0,0,0,0|2,0,0]=4 11960 B13R1.2872 COC(C)Sc1cc(ccc1Br)N 62a_100000750459_100009879195 [0,2,0,0,0,0|2,0,0]=4 11961 B13R1.2872 COC(C)Sc1cc(ccc1Br)N 62a_100009879195_100000750459 [0,2,0,0,0,0|2,0,0]=4 11962 B13R1.2872 COC(C)Sc1cc(ccc1Br)O 62a_100009879195_100012339312 [0,2,0,0,0,0|2,0,0]=4 11963 B13R1.2872 COC(C)Sc1cc(ccc1Br)O 62a_100012339312_100009879195 [0,2,0,0,0,0|2,0,0]=4 11964 B13R1.2872 COC(C)Sc1cc(ccc1C)Br 62a_100009879195_100011344865 [0,2,0,0,0,0|2,0,0]=4 11965 B13R1.2872 COC(C)Sc1cc(ccc1C)Br 62a_100011344865_100009879195 [0,2,0,0,0,0|2,0,0]=4 11966 B13R1.2872 COC(C)Sc1cc(ccc1C)C 62a_100000210833_100009879195 [0,2,0,0,0,0|2,0,0]=4 11967 B13R1.2872 COC(C)Sc1cc(ccc1C)C 62a_100009879195_100000210833 [0,2,0,0,0,0|2,0,0]=4 11968 B13R1.2872 COC(C)Sc1cc(ccc1C)Cl 62a_100009879195_100011263213 [0,2,0,0,0,0|2,0,0]=4 11969 B13R1.2872 COC(C)Sc1cc(ccc1C)Cl 62a_100011263213_100009879195 [0,2,0,0,0,0|2,0,0]=4 11970 B13R1.2872 COC(C)Sc1cc(ccc1C)F 62a_100009879195_100011218078 [0,2,0,0,0,0|2,0,0]=4 11971 B13R1.2872 COC(C)Sc1cc(ccc1C)F 62a_100011218078_100009879195 [0,2,0,0,0,0|2,0,0]=4 11972 B13R1.2872 COC(C)Sc1cc(ccc1C)N 62a_100000736455_100009879195 [0,2,0,0,0,0|2,0,0]=4 11973 B13R1.2872 COC(C)Sc1cc(ccc1C)N 62a_100009879195_100000736455 [0,2,0,0,0,0|2,0,0]=4 11974 B13R1.2872 COC(C)Sc1cc(ccc1C)O 62a_100009879195_100011380479 [0,2,0,0,0,0|2,0,0]=4 11975 B13R1.2872 COC(C)Sc1cc(ccc1C)O 62a_100011380479_100009879195 [0,2,0,0,0,0|2,0,0]=4 11976 B13R1.2872 COC(C)Sc1cc(ccc1Cl)Br 62a_100009879195_100011772130 [0,2,0,0,0,0|2,0,0]=4 11977 B13R1.2872 COC(C)Sc1cc(ccc1Cl)Br 62a_100011772130_100009879195 [0,2,0,0,0,0|2,0,0]=4 11978 B13R1.2872 COC(C)Sc1cc(ccc1Cl)C 62a_100009879195_100012356289 [0,2,0,0,0,0|2,0,0]=4 11979 B13R1.2872 COC(C)Sc1cc(ccc1Cl)C 62a_100012356289_100009879195 [0,2,0,0,0,0|2,0,0]=4 11980 B13R1.2872 COC(C)Sc1cc(ccc1Cl)Cl 62a_100000707729_100009879195 [0,2,0,0,0,0|2,0,0]=4 11981 B13R1.2872 COC(C)Sc1cc(ccc1Cl)Cl 62a_100009879195_100000707729 [0,2,0,0,0,0|2,0,0]=4 11982 B13R1.2872 COC(C)Sc1cc(ccc1Cl)F 62a_100009879195_100011217299 [0,2,0,0,0,0|2,0,0]=4 11983 B13R1.2872 COC(C)Sc1cc(ccc1Cl)F 62a_100011217299_100009879195 [0,2,0,0,0,0|2,0,0]=4 11984 B13R1.2872 COC(C)Sc1cc(ccc1Cl)N 62a_100009879195_100012360549 [0,2,0,0,0,0|2,0,0]=4 11985 B13R1.2872 COC(C)Sc1cc(ccc1Cl)N 62a_100012360549_100009879195 [0,2,0,0,0,0|2,0,0]=4 11986 B13R1.2872 COC(C)Sc1cc(ccc1Cl)O 62a_100000049588_100009879195 [0,2,0,0,0,0|2,0,0]=4 11987 B13R1.2872 COC(C)Sc1cc(ccc1Cl)O 62a_100009879195_100000049588 [0,2,0,0,0,0|2,0,0]=4 11988 B13R1.2872 COC(C)Sc1cc(ccc1F)Br 62a_100009879195_100011217312 [0,2,0,0,0,0|2,0,0]=4 11989 B13R1.2872 COC(C)Sc1cc(ccc1F)Br 62a_100011217312_100009879195 [0,2,0,0,0,0|2,0,0]=4 11990 B13R1.2872 COC(C)Sc1cc(ccc1F)C 62a_100000736223_100009879195 [0,2,0,0,0,0|2,0,0]=4 11991 B13R1.2872 COC(C)Sc1cc(ccc1F)C 62a_100009879195_100000736223 [0,2,0,0,0,0|2,0,0]=4 11992 B13R1.2872 COC(C)Sc1cc(ccc1F)Cl 62a_100009879195_100011218116 [0,2,0,0,0,0|2,0,0]=4 11993 B13R1.2872 COC(C)Sc1cc(ccc1F)Cl 62a_100011218116_100009879195 [0,2,0,0,0,0|2,0,0]=4 11994 B13R1.2872 COC(C)Sc1cc(ccc1F)F 62a_100009879195_100011219198 [0,2,0,0,0,0|2,0,0]=4 11995 B13R1.2872 COC(C)Sc1cc(ccc1F)F 62a_100011219198_100009879195 [0,2,0,0,0,0|2,0,0]=4 11996 B13R1.2872 COC(C)Sc1cc(ccc1F)N 62a_100000760356_100009879195 [0,2,0,0,0,0|2,0,0]=4 11997 B13R1.2872 COC(C)Sc1cc(ccc1F)N 62a_100009879195_100000760356 [0,2,0,0,0,0|2,0,0]=4 11998 B13R1.2872 COC(C)Sc1cc(ccc1F)O 62a_100000693481_100009879195 [0,2,0,0,0,0|2,0,0]=4 11999 B13R1.2872 COC(C)Sc1cc(ccc1F)O 62a_100009879195_100000693481 [0,2,0,0,0,0|2,0,0]=4 12000 B13R1.2872 COC(C)Sc1cc(ccc1N)Br 62a_100000187925_100009879195 [0,2,0,0,0,0|2,0,0]=4 12001 B13R1.2872 COC(C)Sc1cc(ccc1N)Br 62a_100009879195_100000187925 [0,2,0,0,0,0|2,0,0]=4 12002 B13R1.2872 COC(C)Sc1cc(ccc1N)C 62a_100009879195_100011356834 [0,2,0,0,0,0|2,0,0]=4 12003 B13R1.2872 COC(C)Sc1cc(ccc1N)C 62a_100011356834_100009879195 [0,2,0,0,0,0|2,0,0]=4 12004 B13R1.2872 COC(C)Sc1cc(ccc1N)Cl 62a_100000761889_100009879195 [0,2,0,0,0,0|2,0,0]=4 12005 B13R1.2872 COC(C)Sc1cc(ccc1N)Cl 62a_100009879195_100000761889 [0,2,0,0,0,0|2,0,0]=4 12006 B13R1.2872 COC(C)Sc1cc(ccc1N)F 62a_100000760547_100009879195 [0,2,0,0,0,0|2,0,0]=4 12007 B13R1.2872 COC(C)Sc1cc(ccc1N)F 62a_100009879195_100000760547 [0,2,0,0,0,0|2,0,0]=4 12008 B13R1.2872 COC(C)Sc1cc(ccc1N)N 62a_100009879195_100011534242 [0,2,0,0,0,0|2,0,0]=4 12009 B13R1.2872 COC(C)Sc1cc(ccc1N)N 62a_100011534242_100009879195 [0,2,0,0,0,0|2,0,0]=4 12010 B13R1.2872 COC(C)Sc1cc(ccc1N)O 62a_100009879195_100012001276 [0,2,0,0,0,0|2,0,0]=4 12011 B13R1.2872 COC(C)Sc1cc(ccc1N)O 62a_100012001276_100009879195 [0,2,0,0,0,0|2,0,0]=4 12012 B13R1.2872 COC(C)Sc1cc(ccc1O)Br 62a_100009879195_100012355227 [0,2,0,0,0,0|2,0,0]=4 12013 B13R1.2872 COC(C)Sc1cc(ccc1O)Br 62a_100012355227_100009879195 [0,2,0,0,0,0|2,0,0]=4 12014 B13R1.2872 COC(C)Sc1cc(ccc1O)C 62a_100000765521_100009879195 [0,2,0,0,0,0|2,0,0]=4 12015 B13R1.2872 COC(C)Sc1cc(ccc1O)C 62a_100009879195_100000765521 [0,2,0,0,0,0|2,0,0]=4 12016 B13R1.2872 COC(C)Sc1cc(ccc1O)Cl 62a_100009879195_100011356953 [0,2,0,0,0,0|2,0,0]=4 12017 B13R1.2872 COC(C)Sc1cc(ccc1O)Cl 62a_100011356953_100009879195 [0,2,0,0,0,0|2,0,0]=4 12018 B13R1.2872 COC(C)Sc1cc(ccc1O)F 62a_100000211999_100009879195 [0,2,0,0,0,0|2,0,0]=4 12019 B13R1.2872 COC(C)Sc1cc(ccc1O)F 62a_100009879195_100000211999 [0,2,0,0,0,0|2,0,0]=4 12020 B13R1.2872 COC(C)Sc1cc(ccc1O)N 62a_100009879195_100011534360 [0,2,0,0,0,0|2,0,0]=4 12021 B13R1.2872 COC(C)Sc1cc(ccc1O)N 62a_100011534360_100009879195 [0,2,0,0,0,0|2,0,0]=4 12022 B13R1.2872 COC(C)Sc1cc(ccc1O)O 62a_100009879195_100009813629 [0,2,0,0,0,0|2,0,0]=4 12023 B13R1.2874 CCC(C)Nc1cc(cc(c1)Br)Br 34a_100012047176_100011215416 [0,2,0,0,0,0|2,0,0]=4 12024 B13R1.2874 CCC(C)Nc1cc(cc(c1)Br)Br 7a_100012047176_100000758301 [0,2,0,0,0,0|2,0,0]=4 12025 B13R1.2874 CCC(C)Nc1cc(cc(c1)Br)C 34a_100000695972_100011215416 [0,2,0,0,0,0|2,0,0]=4 12026 B13R1.2874 CCC(C)Nc1cc(cc(c1)Br)C 7a_100000695972_100000758301 [0,2,0,0,0,0|2,0,0]=4 12027 B13R1.2874 CCC(C)Nc1cc(cc(c1)Br)Cl 34a_100011934539_100011215416 [0,2,0,0,0,0|2,0,0]=4 12028 B13R1.2874 CCC(C)Nc1cc(cc(c1)Br)Cl 7a_100011934539_100000758301 [0,2,0,0,0,0|2,0,0]=4 12029 B13R1.2874 CCC(C)Nc1cc(cc(c1)Br)F 34a_100000705686_100011215416 [0,2,0,0,0,0|2,0,0]=4 12030 B13R1.2874 CCC(C)Nc1cc(cc(c1)Br)F 7a_100000705686_100000758301 [0,2,0,0,0,0|2,0,0]=4 12031 B13R1.2874 CCC(C)Nc1cc(cc(c1)C)C 2230a_100000210930_100000758301 [0,2,0,0,0,0|2,0,0]=4 12032 B13R1.2874 CCC(C)Nc1cc(cc(c1)C)C 34a_100000210930_100011215416 [0,2,0,0,0,0|2,0,0]=4 12033 B13R1.2874 CCC(C)Nc1cc(cc(c1)C)C 7a_100000210930_100000758301 [0,2,0,0,0,0|2,0,0]=4 12034 B13R1.2874 CCC(C)Nc1cc(cc(c1)Cl)C 2230a_100012022512_100000758301 [0,2,0,0,0,0|2,0,0]=4 12035 B13R1.2874 CCC(C)Nc1cc(cc(c1)Cl)C 34a_100012022512_100011215416 [0,2,0,0,0,0|2,0,0]=4 12036 B13R1.2874 CCC(C)Nc1cc(cc(c1)Cl)C 7a_100012022512_100000758301 [0,2,0,0,0,0|2,0,0]=4 12037 B13R1.2874 CCC(C)Nc1cc(cc(c1)Cl)Cl 34a_100000210456_100011215416 [0,2,0,0,0,0|2,0,0]=4 12038 B13R1.2874 CCC(C)Nc1cc(cc(c1)Cl)Cl 7a_100000210456_100000758301 [0,2,0,0,0,0|2,0,0]=4 12039 B13R1.2874 CCC(C)Nc1cc(cc(c1)Cl)F 34a_100000686136_100011215416 [0,2,0,0,0,0|2,0,0]=4 12040 B13R1.2874 CCC(C)Nc1cc(cc(c1)Cl)F 7a_100000686136_100000758301 [0,2,0,0,0,0|2,0,0]=4 12041 B13R1.2874 CCC(C)Nc1cc(cc(c1)Cl)O 34a_100000123917_100011215416 [0,2,0,0,0,0|2,0,0]=4 12042 B13R1.2874 CCC(C)Nc1cc(cc(c1)Cl)O 7a_100000123917_100000758301 [0,2,0,0,0,0|2,0,0]=4 12043 B13R1.2874 CCC(C)Nc1cc(cc(c1)F)C 2230a_100000742734_100000758301 [0,2,0,0,0,0|2,0,0]=4 12044 B13R1.2874 CCC(C)Nc1cc(cc(c1)F)C 34a_100000742734_100011215416 [0,2,0,0,0,0|2,0,0]=4 12045 B13R1.2874 CCC(C)Nc1cc(cc(c1)F)C 7a_100000742734_100000758301 [0,2,0,0,0,0|2,0,0]=4 12046 B13R1.2874 CCC(C)Nc1cc(cc(c1)F)F 34a_100000233717_100011215416 [0,2,0,0,0,0|2,0,0]=4 12047 B13R1.2874 CCC(C)Nc1cc(cc(c1)F)F 7a_100000233717_100000758301 [0,2,0,0,0,0|2,0,0]=4 12048 B13R1.2874 CCC(C)Nc1cc(cc(c1)I)Br 7a_100009814763_100000758301 [0,2,0,0,0,0|2,0,0]=4 12049 B13R1.2874 CCC(C)Nc1cc(cc(c1)I)Cl 7a_100010147676_100000758301 [0,2,0,0,0,0|2,0,0]=4 12050 B13R1.2874 CCC(C)Nc1cc(cc(c1)I)F 34a_100011356972_100011215416 [0,2,0,0,0,0|2,0,0]=4 12051 B13R1.2874 CCC(C)Nc1cc(cc(c1)I)F 7a_100011356972_100000758301 [0,2,0,0,0,0|2,0,0]=4 12052 B13R1.2874 CCC(C)Nc1cc(cc(c1)I)I 7a_200000696836_100000758301 [0,2,0,0,0,0|2,0,0]=4 12053 B13R1.2874 CCC(C)Nc1cc(cc(c1)O)C 34a_100011995906_100011215416 [0,2,0,0,0,0|2,0,0]=4 12054 B13R1.2874 CCC(C)Nc1cc(cc(c1)O)C 7a_100011995906_100000758301 [0,2,0,0,0,0|2,0,0]=4 12055 B13R1.2874 CCC(C)Nc1cc(cc(c1)O)O 34a_100000043371_100011215416 [0,2,0,0,0,0|2,0,0]=4 12056 B13R1.2874 CCC(C)Oc1cc(cc(c1)Br)Br 34a_100010167048_100011215416 [0,2,0,0,0,0|2,0,0]=4 12057 B13R1.2874 CCC(C)Oc1cc(cc(c1)Br)Br 7a_100010167048_100000758301 [0,2,0,0,0,0|2,0,0]=4 12058 B13R1.2874 CCC(C)Oc1cc(cc(c1)Br)C 34a_100011999630_100011215416 [0,2,0,0,0,0|2,0,0]=4 12059 B13R1.2874 CCC(C)Oc1cc(cc(c1)Br)C 7a_100011999630_100000758301 [0,2,0,0,0,0|2,0,0]=4 12060 B13R1.2874 CCC(C)Oc1cc(cc(c1)Br)Cl 34a_100010185897_100011215416 [0,2,0,0,0,0|2,0,0]=4 12061 B13R1.2874 CCC(C)Oc1cc(cc(c1)Br)Cl 7a_100010185897_100000758301 [0,2,0,0,0,0|2,0,0]=4 12062 B13R1.2874 CCC(C)Oc1cc(cc(c1)Br)F 34a_100000688818_100011215416 [0,2,0,0,0,0|2,0,0]=4 12063 B13R1.2874 CCC(C)Oc1cc(cc(c1)Br)F 7a_100000688818_100000758301 [0,2,0,0,0,0|2,0,0]=4 12064 B13R1.2874 CCC(C)Oc1cc(cc(c1)C)C 34a_100000210933_100011215416 [0,2,0,0,0,0|2,0,0]=4 12065 B13R1.2874 CCC(C)Oc1cc(cc(c1)C)C 7a_100000210933_100000758301 [0,2,0,0,0,0|2,0,0]=4 12066 B13R1.2874 CCC(C)Oc1cc(cc(c1)Cl)C 34a_100000087485_100011215416 [0,2,0,0,0,0|2,0,0]=4 12067 B13R1.2874 CCC(C)Oc1cc(cc(c1)Cl)C 7a_100000087485_100000758301 [0,2,0,0,0,0|2,0,0]=4 12068 B13R1.2874 CCC(C)Oc1cc(cc(c1)Cl)Cl 34a_100000181315_100011215416 [0,2,0,0,0,0|2,0,0]=4 12069 B13R1.2874 CCC(C)Oc1cc(cc(c1)Cl)Cl 7a_100000181315_100000758301 [0,2,0,0,0,0|2,0,0]=4 12070 B13R1.2874 CCC(C)Oc1cc(cc(c1)Cl)F 34a_100011219751_100011215416 [0,2,0,0,0,0|2,0,0]=4 12071 B13R1.2874 CCC(C)Oc1cc(cc(c1)Cl)F 7a_100011219751_100000758301 [0,2,0,0,0,0|2,0,0]=4 12072 B13R1.2874 CCC(C)Oc1cc(cc(c1)Cl)N 34a_100000123917_100011215416 [0,2,0,0,0,0|2,0,0]=4 12073 B13R1.2874 CCC(C)Oc1cc(cc(c1)Cl)N 7a_100000123917_100000758301 [0,2,0,0,0,0|2,0,0]=4 12074 B13R1.2874 CCC(C)Oc1cc(cc(c1)F)C 34a_100011830401_100011215416 [0,2,0,0,0,0|2,0,0]=4 12075 B13R1.2874 CCC(C)Oc1cc(cc(c1)F)C 7a_100011830401_100000758301 [0,2,0,0,0,0|2,0,0]=4 12076 B13R1.2874 CCC(C)Oc1cc(cc(c1)F)F 34a_100000747503_100011215416 [0,2,0,0,0,0|2,0,0]=4 12077 B13R1.2874 CCC(C)Oc1cc(cc(c1)F)F 7a_100000747503_100000758301 [0,2,0,0,0,0|2,0,0]=4 12078 B13R1.2874 CCC(C)Oc1cc(cc(c1)I)Br 34a_100010068917_100011215416 [0,2,0,0,0,0|2,0,0]=4 12079 B13R1.2874 CCC(C)Oc1cc(cc(c1)I)Br 7a_100010068917_100000758301 [0,2,0,0,0,0|2,0,0]=4 12080 B13R1.2874 CCC(C)Oc1cc(cc(c1)I)Cl 34a_100010068924_100011215416 [0,2,0,0,0,0|2,0,0]=4 12081 B13R1.2874 CCC(C)Oc1cc(cc(c1)I)Cl 7a_100010068924_100000758301 [0,2,0,0,0,0|2,0,0]=4 12082 B13R1.2874 CCC(C)Oc1cc(cc(c1)I)F 34a_100000717995_100011215416 [0,2,0,0,0,0|2,0,0]=4 12083 B13R1.2874 CCC(C)Oc1cc(cc(c1)I)F 7a_100000717995_100000758301 [0,2,0,0,0,0|2,0,0]=4 12084 B13R1.2874 CCC(C)Oc1cc(cc(c1)N)C 34a_100011995906_100011215416 [0,2,0,0,0,0|2,0,0]=4 12085 B13R1.2874 CCC(C)Oc1cc(cc(c1)N)C 7a_100011995906_100000758301 [0,2,0,0,0,0|2,0,0]=4 12086 B13R1.2874 CCC(C)Sc1cc(cc(c1)Br)Br 62a_100000758301_100009814770 [0,2,0,0,0,0|2,0,0]=4 12087 B13R1.2874 CCC(C)Sc1cc(cc(c1)Br)Br 62a_100009814770_100000758301 [0,2,0,0,0,0|2,0,0]=4 12088 B13R1.2874 CCC(C)Sc1cc(cc(c1)Br)Cl 62a_100000758301_100009814755 [0,2,0,0,0,0|2,0,0]=4 12089 B13R1.2874 CCC(C)Sc1cc(cc(c1)Br)Cl 62a_100009814755_100000758301 [0,2,0,0,0,0|2,0,0]=4 12090 B13R1.2874 CCC(C)Sc1cc(cc(c1)Br)F 62a_100000758301_100009814764 [0,2,0,0,0,0|2,0,0]=4 12091 B13R1.2874 CCC(C)Sc1cc(cc(c1)Br)F 62a_100009814764_100000758301 [0,2,0,0,0,0|2,0,0]=4 12092 B13R1.2874 CCC(C)Sc1cc(cc(c1)Br)N 62a_100000758301_100009814763 [0,2,0,0,0,0|2,0,0]=4 12093 B13R1.2874 CCC(C)Sc1cc(cc(c1)Br)N 62a_100009814763_100000758301 [0,2,0,0,0,0|2,0,0]=4 12094 B13R1.2874 CCC(C)Sc1cc(cc(c1)Br)O 62a_100000758301_100010068917 [0,2,0,0,0,0|2,0,0]=4 12095 B13R1.2874 CCC(C)Sc1cc(cc(c1)Br)O 62a_100010068917_100000758301 [0,2,0,0,0,0|2,0,0]=4 12096 B13R1.2874 CCC(C)Sc1cc(cc(c1)C)C 62a_100000758301_100011215608 [0,2,0,0,0,0|2,0,0]=4 12097 B13R1.2874 CCC(C)Sc1cc(cc(c1)C)C 62a_100011215608_100000758301 [0,2,0,0,0,0|2,0,0]=4 12098 B13R1.2874 CCC(C)Sc1cc(cc(c1)Cl)C 62a_100000758301_100010172791 [0,2,0,0,0,0|2,0,0]=4 12099 B13R1.2874 CCC(C)Sc1cc(cc(c1)Cl)C 62a_100010172791_100000758301 [0,2,0,0,0,0|2,0,0]=4 12100 B13R1.2874 CCC(C)Sc1cc(cc(c1)Cl)Cl 62a_100000747138_100000758301 [0,2,0,0,0,0|2,0,0]=4 12101 B13R1.2874 CCC(C)Sc1cc(cc(c1)Cl)Cl 62a_100000758301_100000747138 [0,2,0,0,0,0|2,0,0]=4 12102 B13R1.2874 CCC(C)Sc1cc(cc(c1)Cl)F 62a_100000758301_100013859453 [0,2,0,0,0,0|2,0,0]=4 12103 B13R1.2874 CCC(C)Sc1cc(cc(c1)Cl)F 62a_100013859453_100000758301 [0,2,0,0,0,0|2,0,0]=4 12104 B13R1.2874 CCC(C)Sc1cc(cc(c1)Cl)N 62a_100000758301_100010147676 [0,2,0,0,0,0|2,0,0]=4 12105 B13R1.2874 CCC(C)Sc1cc(cc(c1)Cl)N 62a_100010147676_100000758301 [0,2,0,0,0,0|2,0,0]=4 12106 B13R1.2874 CCC(C)Sc1cc(cc(c1)Cl)O 62a_100000758301_100010068924 [0,2,0,0,0,0|2,0,0]=4 12107 B13R1.2874 CCC(C)Sc1cc(cc(c1)Cl)O 62a_100010068924_100000758301 [0,2,0,0,0,0|2,0,0]=4 12108 B13R1.2874 CCC(C)Sc1cc(cc(c1)F)C 62a_100000758301_100011356977 [0,2,0,0,0,0|2,0,0]=4 12109 B13R1.2874 CCC(C)Sc1cc(cc(c1)F)C 62a_100011356977_100000758301 [0,2,0,0,0,0|2,0,0]=4 12110 B13R1.2874 CCC(C)Sc1cc(cc(c1)F)F 62a_100000233788_100000758301 [0,2,0,0,0,0|2,0,0]=4 12111 B13R1.2874 CCC(C)Sc1cc(cc(c1)F)F 62a_100000758301_100000233788 [0,2,0,0,0,0|2,0,0]=4 12112 B13R1.2874 CCC(C)Sc1cc(cc(c1)F)N 62a_100000758301_100011356972 [0,2,0,0,0,0|2,0,0]=4 12113 B13R1.2874 CCC(C)Sc1cc(cc(c1)F)N 62a_100011356972_100000758301 [0,2,0,0,0,0|2,0,0]=4 12114 B13R1.2874 CCC(C)Sc1cc(cc(c1)F)O 62a_100000688818_100000758301 [0,2,0,0,0,0|2,0,0]=4 12115 B13R1.2874 CCC(C)Sc1cc(cc(c1)F)O 62a_100000758301_100000688818 [0,2,0,0,0,0|2,0,0]=4 12116 B13R1.2874 CCC(C)Sc1cc(cc(c1)N)C 62a_100000695972_100000758301 [0,2,0,0,0,0|2,0,0]=4 12117 B13R1.2874 CCC(C)Sc1cc(cc(c1)N)C 62a_100000758301_100000695972 [0,2,0,0,0,0|2,0,0]=4 12118 B13R1.2874 CCC(C)Sc1cc(cc(c1)N)N 62a_100000758301_100011999608 [0,2,0,0,0,0|2,0,0]=4 12119 B13R1.2874 CCC(C)Sc1cc(cc(c1)N)N 62a_100011999608_100000758301 [0,2,0,0,0,0|2,0,0]=4 12120 B13R1.2874 CCC(C)Sc1cc(cc(c1)O)C 62a_100000758301_100011999630 [0,2,0,0,0,0|2,0,0]=4 12121 B13R1.2874 CCC(C)Sc1cc(cc(c1)O)O 62a_100000758301_100009868816 [0,2,0,0,0,0|2,0,0]=4 12122 B13R1.2874 CCN(C)Cc1cc(cc(c1)Br)Br 2230a_100000225621_100011216082 [0,2,0,0,0,0|2,0,0]=4 12123 B13R1.2874 CCN(C)Cc1cc(cc(c1)Br)Br 269982a_100000225621_100011216082 [0,2,0,0,0,0|2,0,0]=4 12124 B13R1.2874 CCN(C)Cc1cc(cc(c1)Br)Br 26a_100000225621_100010167048 [0,2,0,0,0,0|2,0,0]=4 12125 B13R1.2874 CCN(C)Cc1cc(cc(c1)Br)C 2230a_100000225621_100012348363 [0,2,0,0,0,0|2,0,0]=4 12126 B13R1.2874 CCN(C)Cc1cc(cc(c1)Br)C 269982a_100000225621_100012348363 [0,2,0,0,0,0|2,0,0]=4 12127 B13R1.2874 CCN(C)Cc1cc(cc(c1)Br)C 26a_100000225621_100011999630 [0,2,0,0,0,0|2,0,0]=4 12128 B13R1.2874 CCN(C)Cc1cc(cc(c1)Br)Cl 26a_100000225621_100010185897 [0,2,0,0,0,0|2,0,0]=4 12129 B13R1.2874 CCN(C)Cc1cc(cc(c1)Br)F 2230a_100000225621_100000766940 [0,2,0,0,0,0|2,0,0]=4 12130 B13R1.2874 CCN(C)Cc1cc(cc(c1)Br)F 269982a_100000225621_100000766940 [0,2,0,0,0,0|2,0,0]=4 12131 B13R1.2874 CCN(C)Cc1cc(cc(c1)Br)F 26a_100000225621_100000688818 [0,2,0,0,0,0|2,0,0]=4 12132 B13R1.2874 CCN(C)Cc1cc(cc(c1)C)C 2230a_100000225621_100000181317 [0,2,0,0,0,0|2,0,0]=4 12133 B13R1.2874 CCN(C)Cc1cc(cc(c1)C)C 269982a_100000225621_100000181317 [0,2,0,0,0,0|2,0,0]=4 12134 B13R1.2874 CCN(C)Cc1cc(cc(c1)Cl)Cl 2230a_100000225621_100000685807 [0,2,0,0,0,0|2,0,0]=4 12135 B13R1.2874 CCN(C)Cc1cc(cc(c1)Cl)Cl 2230a_100016988021_100000210202 [0,2,0,0,0,0|2,0,0]=4 12136 B13R1.2874 CCN(C)Cc1cc(cc(c1)Cl)Cl 269982a_100000225621_100011219208 [0,2,0,0,0,0|2,0,0]=4 12137 B13R1.2874 CCN(C)Cc1cc(cc(c1)Cl)Cl 269982a_100016988021_100000204670 [0,2,0,0,0,0|2,0,0]=4 12138 B13R1.2874 CCN(C)Cc1cc(cc(c1)Cl)Cl 26a_100000225621_100000181315 [0,2,0,0,0,0|2,0,0]=4 12139 B13R1.2874 CCN(C)Cc1cc(cc(c1)Cl)Cl 34a_100016988021_100000210202 [0,2,0,0,0,0|2,0,0]=4 12140 B13R1.2874 CCN(C)Cc1cc(cc(c1)Cl)F 2230a_100000225621_100011219885 [0,2,0,0,0,0|2,0,0]=4 12141 B13R1.2874 CCN(C)Cc1cc(cc(c1)Cl)F 269982a_100000225621_100011219885 [0,2,0,0,0,0|2,0,0]=4 12142 B13R1.2874 CCN(C)Cc1cc(cc(c1)F)C 2230a_100000225621_100011219130 [0,2,0,0,0,0|2,0,0]=4 12143 B13R1.2874 CCN(C)Cc1cc(cc(c1)F)C 269982a_100000225621_100011219130 [0,2,0,0,0,0|2,0,0]=4 12144 B13R1.2874 CCN(C)Cc1cc(cc(c1)F)F 2230a_100000225621_100000697002 [0,2,0,0,0,0|2,0,0]=4 12145 B13R1.2874 CCN(C)Cc1cc(cc(c1)F)F 2230a_100000720221_100000210202 [0,2,0,0,0,0|2,0,0]=4 12146 B13R1.2874 CCN(C)Cc1cc(cc(c1)F)F 269982a_100000225621_100000697002 [0,2,0,0,0,0|2,0,0]=4 12147 B13R1.2874 CCN(C)Cc1cc(cc(c1)F)F 269982a_100000720221_100000204670 [0,2,0,0,0,0|2,0,0]=4 12148 B13R1.2874 CCN(C)Cc1cc(cc(c1)F)F 34a_100000720221_100000210202 [0,2,0,0,0,0|2,0,0]=4 12149 B13R1.2874 CCN(C)Cc1cc(cc(c1)I)Br 2230a_100000225621_100010146614 [0,2,0,0,0,0|2,0,0]=4 12150 B13R1.2874 CCN(C)Cc1cc(cc(c1)I)Br 269982a_100000225621_100010146614 [0,2,0,0,0,0|2,0,0]=4 12151 B13R1.2874 CCN(C)Cc1cc(cc(c1)I)Br 26a_100000225621_100010068917 [0,2,0,0,0,0|2,0,0]=4 12152 B13R1.2874 CCN(C)Cc1cc(cc(c1)I)F 2230a_100000225621_100010149605 [0,2,0,0,0,0|2,0,0]=4 12153 B13R1.2874 CCN(C)Cc1cc(cc(c1)I)F 269982a_100000225621_100010149605 [0,2,0,0,0,0|2,0,0]=4 12154 B13R1.2874 CNC(=O)Cc1cc(cc(c1)Br)Br 11a_106832991635_100010186705 [0,2,0,0,0,0|1,0,1]=4 12155 B13R1.2874 CNC(=O)Cc1cc(cc(c1)Br)Br 240690a_100102657272_100010186705 [0,2,0,0,0,0|1,0,1]=4 12156 B13R1.2874 CNC(=O)Cc1cc(cc(c1)Br)Br 527a_100102657272_100010186705 [0,2,0,0,0,0|1,0,1]=4 12157 B13R1.2874 CNC(=O)Cc1cc(cc(c1)Br)F 11a_106832991635_100011935118 [0,2,0,0,0,0|1,0,1]=4 12158 B13R1.2874 CNC(=O)Cc1cc(cc(c1)Br)F 240690a_100102657272_100011935118 [0,2,0,0,0,0|1,0,1]=4 12159 B13R1.2874 CNC(=O)Cc1cc(cc(c1)Br)F 527a_100102657272_100011935118 [0,2,0,0,0,0|1,0,1]=4 12160 B13R1.2874 CNC(=O)Cc1cc(cc(c1)C)C 11a_106832991635_100011202310 [0,2,0,0,0,0|1,0,1]=4 12161 B13R1.2874 CNC(=O)Cc1cc(cc(c1)C)C 240690a_100102657272_100011202310 [0,2,0,0,0,0|1,0,1]=4 12162 B13R1.2874 CNC(=O)Cc1cc(cc(c1)C)C 527a_100102657272_100011202310 [0,2,0,0,0,0|1,0,1]=4 12163 B13R1.2874 CNC(=O)Cc1cc(cc(c1)Cl)Cl 11a_106832991635_100012340057 [0,2,0,0,0,0|1,0,1]=4 12164 B13R1.2874 CNC(=O)Cc1cc(cc(c1)Cl)Cl 1626a_100102657272_100012340057 [0,2,0,0,0,0|1,0,1]=4 12165 B13R1.2874 CNC(=O)Cc1cc(cc(c1)Cl)Cl 240690a_100102657272_100012340057 [0,2,0,0,0,0|1,0,1]=4 12166 B13R1.2874 CNC(=O)Cc1cc(cc(c1)Cl)Cl 527a_100102657272_100012340057 [0,2,0,0,0,0|1,0,1]=4 12167 B13R1.2874 CNC(=O)Cc1cc(cc(c1)Cl)F 11a_106832991635_100011217690 [0,2,0,0,0,0|1,0,1]=4 12168 B13R1.2874 CNC(=O)Cc1cc(cc(c1)Cl)F 1626a_100102657272_100011217690 [0,2,0,0,0,0|1,0,1]=4 12169 B13R1.2874 CNC(=O)Cc1cc(cc(c1)Cl)F 240690a_100102657272_100011217690 [0,2,0,0,0,0|1,0,1]=4 12170 B13R1.2874 CNC(=O)Cc1cc(cc(c1)Cl)F 527a_100102657272_100011217690 [0,2,0,0,0,0|1,0,1]=4 12171 B13R1.2874 CNC(=O)Cc1cc(cc(c1)F)C 11a_106832991635_100011216671 [0,2,0,0,0,0|1,0,1]=4 12172 B13R1.2874 CNC(=O)Cc1cc(cc(c1)F)C 1626a_100102657272_100011216671 [0,2,0,0,0,0|1,0,1]=4 12173 B13R1.2874 CNC(=O)Cc1cc(cc(c1)F)C 240690a_100102657272_100011216671 [0,2,0,0,0,0|1,0,1]=4 12174 B13R1.2874 CNC(=O)Cc1cc(cc(c1)F)C 527a_100102657272_100011216671 [0,2,0,0,0,0|1,0,1]=4 12175 B13R1.2874 CNC(=O)Cc1cc(cc(c1)F)F 11a_106832991635_100011220011 [0,2,0,0,0,0|1,0,1]=4 12176 B13R1.2874 CNC(=O)Cc1cc(cc(c1)F)F 1626a_100102657272_100011220011 [0,2,0,0,0,0|1,0,1]=4 12177 B13R1.2874 CNC(=O)Cc1cc(cc(c1)F)F 240690a_100102657272_100011220011 [0,2,0,0,0,0|1,0,1]=4 12178 B13R1.2874 CNC(=O)Cc1cc(cc(c1)F)F 527a_100102657272_100011220011 [0,2,0,0,0,0|1,0,1]=4 12179 B13R1.2874 CNC(=O)Cc1cc(cc(c1)O)O 240690a_100102657272_100000080560 [0,2,0,0,0,0|1,0,1]=4 12180 B13R1.2874 CNC(=O)Cc1cc(cc(c1)O)O 527a_100102657272_100000080560 [0,2,0,0,0,0|1,0,1]=4 12181 B13R1.2874 CNC(C)Cc1cc(cc(c1)F)F 270004a_106832991635_200011487669 [0,2,0,0,0,0|0,0,0]=2 12182 B13R1.2874 COC(C)Sc1cc(cc(c1)Br)Br 62a_100009814770_100009879195 [0,2,0,0,0,0|2,0,0]=4 12183 B13R1.2874 COC(C)Sc1cc(cc(c1)Br)Br 62a_100009879195_100009814770 [0,2,0,0,0,0|2,0,0]=4 12184 B13R1.2874 COC(C)Sc1cc(cc(c1)Br)Cl 62a_100009814755_100009879195 [0,2,0,0,0,0|2,0,0]=4 12185 B13R1.2874 COC(C)Sc1cc(cc(c1)Br)Cl 62a_100009879195_100009814755 [0,2,0,0,0,0|2,0,0]=4 12186 B13R1.2874 COC(C)Sc1cc(cc(c1)Br)F 62a_100009814764_100009879195 [0,2,0,0,0,0|2,0,0]=4 12187 B13R1.2874 COC(C)Sc1cc(cc(c1)Br)F 62a_100009879195_100009814764 [0,2,0,0,0,0|2,0,0]=4 12188 B13R1.2874 COC(C)Sc1cc(cc(c1)Br)N 62a_100009814763_100009879195 [0,2,0,0,0,0|2,0,0]=4 12189 B13R1.2874 COC(C)Sc1cc(cc(c1)Br)N 62a_100009879195_100009814763 [0,2,0,0,0,0|2,0,0]=4 12190 B13R1.2874 COC(C)Sc1cc(cc(c1)Br)O 62a_100009879195_100010068917 [0,2,0,0,0,0|2,0,0]=4 12191 B13R1.2874 COC(C)Sc1cc(cc(c1)Br)O 62a_100010068917_100009879195 [0,2,0,0,0,0|2,0,0]=4 12192 B13R1.2874 COC(C)Sc1cc(cc(c1)C)C 62a_100009879195_100011215608 [0,2,0,0,0,0|2,0,0]=4 12193 B13R1.2874 COC(C)Sc1cc(cc(c1)C)C 62a_100011215608_100009879195 [0,2,0,0,0,0|2,0,0]=4 12194 B13R1.2874 COC(C)Sc1cc(cc(c1)Cl)C 62a_100009879195_100010172791 [0,2,0,0,0,0|2,0,0]=4 12195 B13R1.2874 COC(C)Sc1cc(cc(c1)Cl)C 62a_100010172791_100009879195 [0,2,0,0,0,0|2,0,0]=4 12196 B13R1.2874 COC(C)Sc1cc(cc(c1)Cl)Cl 62a_100000747138_100009879195 [0,2,0,0,0,0|2,0,0]=4 12197 B13R1.2874 COC(C)Sc1cc(cc(c1)Cl)Cl 62a_100009879195_100000747138 [0,2,0,0,0,0|2,0,0]=4 12198 B13R1.2874 COC(C)Sc1cc(cc(c1)Cl)F 62a_100009879195_100013859453 [0,2,0,0,0,0|2,0,0]=4 12199 B13R1.2874 COC(C)Sc1cc(cc(c1)Cl)F 62a_100013859453_100009879195 [0,2,0,0,0,0|2,0,0]=4 12200 B13R1.2874 COC(C)Sc1cc(cc(c1)Cl)N 62a_100009879195_100010147676 [0,2,0,0,0,0|2,0,0]=4 12201 B13R1.2874 COC(C)Sc1cc(cc(c1)Cl)N 62a_100010147676_100009879195 [0,2,0,0,0,0|2,0,0]=4 12202 B13R1.2874 COC(C)Sc1cc(cc(c1)Cl)O 62a_100009879195_100010068924 [0,2,0,0,0,0|2,0,0]=4 12203 B13R1.2874 COC(C)Sc1cc(cc(c1)Cl)O 62a_100010068924_100009879195 [0,2,0,0,0,0|2,0,0]=4 12204 B13R1.2874 COC(C)Sc1cc(cc(c1)F)C 62a_100009879195_100011356977 [0,2,0,0,0,0|2,0,0]=4 12205 B13R1.2874 COC(C)Sc1cc(cc(c1)F)C 62a_100011356977_100009879195 [0,2,0,0,0,0|2,0,0]=4 12206 B13R1.2874 COC(C)Sc1cc(cc(c1)F)F 62a_100000233788_100009879195 [0,2,0,0,0,0|2,0,0]=4 12207 B13R1.2874 COC(C)Sc1cc(cc(c1)F)F 62a_100009879195_100000233788 [0,2,0,0,0,0|2,0,0]=4 12208 B13R1.2874 COC(C)Sc1cc(cc(c1)F)N 62a_100009879195_100011356972 [0,2,0,0,0,0|2,0,0]=4 12209 B13R1.2874 COC(C)Sc1cc(cc(c1)F)N 62a_100011356972_100009879195 [0,2,0,0,0,0|2,0,0]=4 12210 B13R1.2874 COC(C)Sc1cc(cc(c1)F)O 62a_100000688818_100009879195 [0,2,0,0,0,0|2,0,0]=4 12211 B13R1.2874 COC(C)Sc1cc(cc(c1)F)O 62a_100009879195_100000688818 [0,2,0,0,0,0|2,0,0]=4 12212 B13R1.2874 COC(C)Sc1cc(cc(c1)N)C 62a_100000695972_100009879195 [0,2,0,0,0,0|2,0,0]=4 12213 B13R1.2874 COC(C)Sc1cc(cc(c1)N)C 62a_100009879195_100000695972 [0,2,0,0,0,0|2,0,0]=4 12214 B13R1.2874 COC(C)Sc1cc(cc(c1)N)N 62a_100009879195_100011999608 [0,2,0,0,0,0|2,0,0]=4 12215 B13R1.2874 COC(C)Sc1cc(cc(c1)N)N 62a_100011999608_100009879195 [0,2,0,0,0,0|2,0,0]=4 12216 B13R1.2874 COC(C)Sc1cc(cc(c1)O)C 62a_100009879195_100011999630 [0,2,0,0,0,0|2,0,0]=4 12217 B13R1.2874 COC(C)Sc1cc(cc(c1)O)O 62a_100009879195_100009868816 [0,2,0,0,0,0|2,0,0]=4 12218 B13R1.335 CCC(CC)Oc1ccccc1Br 7a_100000181306_100000210505 [0,2,0,0,0,0|2,0,0]=4 12219 B13R1.335 CCC(CC)Oc1ccccc1C 7a_100000210338_100000210505 [0,2,0,0,0,0|2,0,0]=4 12220 B13R1.335 CCC(CC)Oc1ccccc1Cl 7a_100000210172_100000210505 [0,2,0,0,0,0|2,0,0]=4 12221 B13R1.335 CCC(CC)Oc1ccccc1F 7a_100000210171_100000210505 [0,2,0,0,0,0|2,0,0]=4 12222 B13R1.335 CCC(CC)Oc1ccccc1I 7a_100000739446_100000210505 [0,2,0,0,0,0|2,0,0]=4 12223 B13R1.335 CCC(CC)Oc1ccccc1N 7a_100000185747_100000210505 [0,2,0,0,0,0|2,0,0]=4 12224 B13R1.335 CCC(CC)Sc1ccccc1Br 62a_100000210505_100000695589 [0,2,0,0,0,0|2,0,0]=4 12225 B13R1.335 CCC(CC)Sc1ccccc1Br 62a_100000695589_100000210505 [0,2,0,0,0,0|2,0,0]=4 12226 B13R1.335 CCC(CC)Sc1ccccc1C 62a_100000210505_100000210755 [0,2,0,0,0,0|2,0,0]=4 12227 B13R1.335 CCC(CC)Sc1ccccc1C 62a_100000210755_100000210505 [0,2,0,0,0,0|2,0,0]=4 12228 B13R1.335 CCC(CC)Sc1ccccc1Cl 62a_100000210505_100000764095 [0,2,0,0,0,0|2,0,0]=4 12229 B13R1.335 CCC(CC)Sc1ccccc1Cl 62a_100000764095_100000210505 [0,2,0,0,0,0|2,0,0]=4 12230 B13R1.335 CCC(CC)Sc1ccccc1F 62a_100000210505_100011215700 [0,2,0,0,0,0|2,0,0]=4 12231 B13R1.335 CCC(CC)Sc1ccccc1F 62a_100011215700_100000210505 [0,2,0,0,0,0|2,0,0]=4 12232 B13R1.335 CCC(CC)Sc1ccccc1N 62a_100000210017_100000210505 [0,2,0,0,0,0|2,0,0]=4 12233 B13R1.335 CCC(CC)Sc1ccccc1N 62a_100000210505_100000210017 [0,2,0,0,0,0|2,0,0]=4 12234 B13R1.335 CCC(CC)Sc1ccccc1O 62a_100000210505_100000739446 [0,2,0,0,0,0|2,0,0]=4 12235 B13R1.335 CCC(CC)Sc1ccccc1O 62a_100000739446_100000210505 [0,2,0,0,0,0|2,0,0]=4 12236 B13R1.335 CCN(CC)Cc1ccccc1Br 2230a_100000724800_100000184730 [0,2,0,0,0,0|2,0,0]=4 12237 B13R1.335 CCN(CC)Cc1ccccc1Br 269956a_100000042499_100000184730 [0,2,0,0,0,0|2,0,0]=4 12238 B13R1.335 CCN(CC)Cc1ccccc1Br 269982a_100000724800_100000184730 [0,2,0,0,0,0|2,0,0]=4 12239 B13R1.335 CCN(CC)Cc1ccccc1Br 270004a_100000724800_100000211189 [0,2,0,0,0,0|2,0,0]=4 12240 B13R1.335 CCN(CC)Cc1ccccc1C 2230a_100000201206_100000210202 [0,2,0,0,0,0|2,0,0]=4 12241 B13R1.335 CCN(CC)Cc1ccccc1C 2230a_100000724800_100000211839 [0,2,0,0,0,0|2,0,0]=4 12242 B13R1.335 CCN(CC)Cc1ccccc1C 269956a_100000042499_100000211750 [0,2,0,0,0,0|2,0,0]=4 12243 B13R1.335 CCN(CC)Cc1ccccc1C 269982a_100000201206_100000204670 [0,2,0,0,0,0|2,0,0]=4 12244 B13R1.335 CCN(CC)Cc1ccccc1C 269982a_100000724800_100000211839 [0,2,0,0,0,0|2,0,0]=4 12245 B13R1.335 CCN(CC)Cc1ccccc1C 270004a_100000724800_100000211143 [0,2,0,0,0,0|2,0,0]=4 12246 B13R1.335 CCN(CC)Cc1ccccc1Cl 2230a_100000201176_100000210202 [0,2,0,0,0,0|2,0,0]=4 12247 B13R1.335 CCN(CC)Cc1ccccc1Cl 2230a_100000724800_100000187162 [0,2,0,0,0,0|2,0,0]=4 12248 B13R1.335 CCN(CC)Cc1ccccc1Cl 269956a_100000042499_100000187162 [0,2,0,0,0,0|2,0,0]=4 12249 B13R1.335 CCN(CC)Cc1ccccc1Cl 269982a_100000201176_100000204670 [0,2,0,0,0,0|2,0,0]=4 12250 B13R1.335 CCN(CC)Cc1ccccc1Cl 269982a_100000724800_100000187162 [0,2,0,0,0,0|2,0,0]=4 12251 B13R1.335 CCN(CC)Cc1ccccc1Cl 270004a_100000724800_100000210073 [0,2,0,0,0,0|2,0,0]=4 12252 B13R1.335 CCN(CC)Cc1ccccc1F 2230a_100000724800_100000211605 [0,2,0,0,0,0|2,0,0]=4 12253 B13R1.335 CCN(CC)Cc1ccccc1F 2230a_100015186831_100000210202 [0,2,0,0,0,0|2,0,0]=4 12254 B13R1.335 CCN(CC)Cc1ccccc1F 269956a_100000042499_100000187165 [0,2,0,0,0,0|2,0,0]=4 12255 B13R1.335 CCN(CC)Cc1ccccc1F 269982a_100000724800_100000211605 [0,2,0,0,0,0|2,0,0]=4 12256 B13R1.335 CCN(CC)Cc1ccccc1F 269982a_100015186831_100000204670 [0,2,0,0,0,0|2,0,0]=4 12257 B13R1.335 CCN(CC)Cc1ccccc1F 270004a_100000724800_100000210811 [0,2,0,0,0,0|2,0,0]=4 12258 B13R1.335 CCN(CC)Cc1ccccc1F 34a_100015186831_100000210202 [0,2,0,0,0,0|2,0,0]=4 12259 B13R1.335 CCN(CC)Cc1ccccc1I 2230a_100000724800_100011215278 [0,2,0,0,0,0|2,0,0]=4 12260 B13R1.335 CCN(CC)Cc1ccccc1I 269956a_100000042499_100011216222 [0,2,0,0,0,0|2,0,0]=4 12261 B13R1.335 CCN(CC)Cc1ccccc1I 269982a_100000724800_100011215278 [0,2,0,0,0,0|2,0,0]=4 12262 B13R1.335 CCN(CC)Cc1ccccc1I 270004a_100000724800_100000010305 [0,2,0,0,0,0|2,0,0]=4 12263 B13R1.335 CCN(CC)Cc1ccccc1O 2230a_100011223546_100000210202 [0,2,0,0,0,0|2,0,0]=4 12264 B13R1.335 CCN(CC)Cc1ccccc1O 269982a_100011223546_100000204670 [0,2,0,0,0,0|2,0,0]=4 12265 B13R1.335 CCN(CF)Cc1ccccc1C 269982a_100000201206_100015361967 [0,2,0,0,0,0|2,0,0]=4 12266 B13R1.335 CCN(CF)Cc1ccccc1Cl 269982a_100000201176_100015361967 [0,2,0,0,0,0|2,0,0]=4 12267 B13R1.335 CCN(CF)Cc1ccccc1F 269982a_100015186831_100015361967 [0,2,0,0,0,0|2,0,0]=4 12268 B13R1.335 CCN(CF)Cc1ccccc1F 34a_100015186831_100015361967 [0,2,0,0,0,0|2,0,0]=4 12269 B13R1.335 CCN(CF)Cc1ccccc1O 269982a_100011223546_100015361967 [0,2,0,0,0,0|2,0,0]=4 12270 B13R1.335 CNC(CO)Cc1ccccc1Cl 2230a_100012001541_200000210301 [0,2,0,0,0,0|0,0,0]=2 12271 B13R1.335 CNC(CO)Cc1ccccc1Cl 34a_100012001541_200000210301 [0,2,0,0,0,0|0,0,0]=2 12272 B13R1.335 [13CH3]NC(CO)Cc1ccccc1Cl 2230a_100012001541_200025704644 [0,2,0,0,0,0|0,0,0]=2 12273 B13R1.335 [13CH3]NC(CO)Cc1ccccc1Cl 34a_100012001541_200025704644 [0,2,0,0,0,0|0,0,0]=2 12274 B13R1.3080 CCC(C)(CC)Oc1ccccc1 7a_100000210340_100009817345 [0,2,0,0,0,0|2,0,0]=4 12275 B13R1.3080 CCC(C)(CC)Sc1ccccc1 62a_100000719477_100009817345 [0,2,0,0,0,0|2,0,0]=4 12276 B13R1.3080 CCC(C)(CC)Sc1ccccc1 62a_100009817345_100000041952 [0,2,0,0,0,0|2,0,0]=4 12277 B13R1.3080 CCC(C)(Cc1ccccc1)OC 7a_100011346069_200000210301 [0,2,0,0,0,0|1,0,0]=3 12278 B13R1.3080 CCC(C)(Cc1ccccc1)O[13CH3] 7a_100011346069_200025704644 [0,2,0,0,0,0|1,0,0]=3 12279 B13R1.275 CC(C)(Cc1ccccc1Br)N[13CH3] 2230a_100161000475_200025704644 [0,2,0,0,0,0|0,0,0]=2 12280 B13R1.275 CC(C)(Cc1ccccc1Cl)O[13CH3] 7a_100000751322_200025704644 [0,2,0,0,0,0|1,0,0]=3 12281 B13R1.275 CC(C)(Cc1ccccc1F)O[13CH3] 34a_100011350413_200025704644 [0,2,0,0,0,0|1,0,0]=3 12282 B13R1.275 CC(C)(Cc1ccccc1F)O[13CH3] 7a_100011350413_200025704644 [0,2,0,0,0,0|1,0,0]=3 12283 B13R1.275 CCC(C)(C)Oc1ccccc1Br 7a_100000181306_100000210677 [0,2,0,0,0,0|2,0,0]=4 12284 B13R1.275 CCC(C)(C)Oc1ccccc1C 7a_100000210338_100000210677 [0,2,0,0,0,0|2,0,0]=4 12285 B13R1.275 CCC(C)(C)Oc1ccccc1Cl 7a_100000210172_100000210677 [0,2,0,0,0,0|2,0,0]=4 12286 B13R1.275 CCC(C)(C)Oc1ccccc1F 7a_100000210171_100000210677 [0,2,0,0,0,0|2,0,0]=4 12287 B13R1.275 CCC(C)(C)Oc1ccccc1I 7a_100000739446_100000210677 [0,2,0,0,0,0|2,0,0]=4 12288 B13R1.275 CCC(C)(C)Oc1ccccc1N 7a_100000185747_100000210677 [0,2,0,0,0,0|2,0,0]=4 12289 B13R1.275 CCC(C)(C)Sc1ccccc1Br 62a_100000032637_100000695589 [0,2,0,0,0,0|2,0,0]=4 12290 B13R1.275 CCC(C)(C)Sc1ccccc1Br 62a_100000695589_100000032637 [0,2,0,0,0,0|2,0,0]=4 12291 B13R1.275 CCC(C)(C)Sc1ccccc1C 62a_100000032637_100000210755 [0,2,0,0,0,0|2,0,0]=4 12292 B13R1.275 CCC(C)(C)Sc1ccccc1C 62a_100000210755_100000032637 [0,2,0,0,0,0|2,0,0]=4 12293 B13R1.275 CCC(C)(C)Sc1ccccc1Cl 62a_100000032637_100000764095 [0,2,0,0,0,0|2,0,0]=4 12294 B13R1.275 CCC(C)(C)Sc1ccccc1Cl 62a_100000764095_100000032637 [0,2,0,0,0,0|2,0,0]=4 12295 B13R1.275 CCC(C)(C)Sc1ccccc1F 62a_100000032637_100011215700 [0,2,0,0,0,0|2,0,0]=4 12296 B13R1.275 CCC(C)(C)Sc1ccccc1F 62a_100011215700_100000032637 [0,2,0,0,0,0|2,0,0]=4 12297 B13R1.275 CCC(C)(C)Sc1ccccc1N 62a_100000032637_100000210017 [0,2,0,0,0,0|2,0,0]=4 12298 B13R1.275 CCC(C)(C)Sc1ccccc1N 62a_100000210017_100000032637 [0,2,0,0,0,0|2,0,0]=4 12299 B13R1.275 CCC(C)(C)Sc1ccccc1O 62a_100000032637_100000739446 [0,2,0,0,0,0|2,0,0]=4 12300 B13R1.275 CCC(C)(C)Sc1ccccc1O 62a_100000739446_100000032637 [0,2,0,0,0,0|2,0,0]=4 12301 B13R1.275 CNC(C)(C)Cc1ccccc1Br 2230a_100161000475_200000210301 [0,2,0,0,0,0|0,0,0]=2 12302 B13R1.275 CNS(=O)(=O)Cc1ccccc1Br 270084a_100102657272_100000765529 [0,2,0,0,0,0|2,0,0]=4 12303 B13R1.275 CNS(=O)(=O)Cc1ccccc1Br 274078a_100102657272_100000765529 [0,2,0,0,0,0|2,0,0]=4 12304 B13R1.275 CNS(=O)(=O)Cc1ccccc1C 270084a_100102657272_100000750338 [0,2,0,0,0,0|2,0,0]=4 12305 B13R1.275 CNS(=O)(=O)Cc1ccccc1C 274078a_100102657272_100000750338 [0,2,0,0,0,0|2,0,0]=4 12306 B13R1.275 CNS(=O)(=O)Cc1ccccc1Cl 270084a_100102657272_100000750118 [0,2,0,0,0,0|2,0,0]=4 12307 B13R1.275 CNS(=O)(=O)Cc1ccccc1Cl 274078a_100102657272_100000750118 [0,2,0,0,0,0|2,0,0]=4 12308 B13R1.275 CNS(=O)(=O)Cc1ccccc1F 270084a_100102657272_100000739656 [0,2,0,0,0,0|2,0,0]=4 12309 B13R1.275 CNS(=O)(=O)Cc1ccccc1F 274078a_100102657272_100000739656 [0,2,0,0,0,0|2,0,0]=4 12310 B13R1.275 COC(C)(C)Cc1ccccc1Cl 7a_100000751322_200000210301 [0,2,0,0,0,0|1,0,0]=3 12311 B13R1.275 COC(C)(C)Cc1ccccc1F 34a_100011350413_200000210301 [0,2,0,0,0,0|1,0,0]=3 12312 B13R1.275 COC(C)(C)Cc1ccccc1F 7a_100011350413_200000210301 [0,2,0,0,0,0|1,0,0]=3 12313 B13R1.91 C#Cc1ccccc1NC(C)CC 34a_100011470550_100011215416 [0,2,0,0,0,0|2,0,0]=4 12314 B13R1.91 C#Cc1ccccc1OC(C)CC 34a_200011470546_100011215416 [0,2,0,0,0,0|2,0,0]=4 12315 B13R1.91 C#Cc1ccccc1OC(C)CC 7a_200011470546_100000758301 [0,2,0,0,0,0|2,0,0]=4 12316 B13R1.91 C=Cc1ccccc1CC(=O)NC 271570a_100011290941_200009816160 [0,2,0,0,0,0|1,0,1]=4 12317 B13R1.91 C=Cc1ccccc1NC(C)CC 34a_100012022501_100011215416 [0,2,0,0,0,0|2,0,0]=4 12318 B13R1.91 C=Cc1ccccc1SC(C)CC 62a_100000758301_100011218376 [0,2,0,0,0,0|2,0,0]=4 12319 B13R1.91 C=Cc1ccccc1SC(C)CC 62a_100011218376_100000758301 [0,2,0,0,0,0|2,0,0]=4 12320 B13R1.91 C=Cc1ccccc1SC(C)OC 62a_100009879195_100011218376 [0,2,0,0,0,0|2,0,0]=4 12321 B13R1.91 C=Cc1ccccc1SC(C)OC 62a_100011218376_100009879195 [0,2,0,0,0,0|2,0,0]=4 12322 B13R1.91 CCC(C)Nc1ccccc1C#N 34a_100000211148_100011215416 [0,2,0,0,0,0|2,0,0]=4 12323 B13R1.91 CCC(C)Nc1ccccc1CO 34a_100000212039_100011215416 [0,2,0,0,0,0|2,0,0]=4 12324 B13R1.91 CCC(C)Nc1ccccc1OC 34a_100000210025_100011215416 [0,2,0,0,0,0|2,0,0]=4 12325 B13R1.91 CCC(C)Nc1ccccc1SC 34a_100000211160_100011215416 [0,2,0,0,0,0|2,0,0]=4 12326 B13R1.91 CCC(C)Oc1ccccc1C#N 34a_100000211048_100011215416 [0,2,0,0,0,0|2,0,0]=4 12327 B13R1.91 CCC(C)Oc1ccccc1C#N 7a_100000211048_100000758301 [0,2,0,0,0,0|2,0,0]=4 12328 B13R1.91 CCC(C)Oc1ccccc1CN 34a_100000185550_100011215416 [0,2,0,0,0,0|2,0,0]=4 12329 B13R1.91 CCC(C)Oc1ccccc1CO 34a_100011216872_100011215416 [0,2,0,0,0,0|2,0,0]=4 12330 B13R1.91 CCC(C)Oc1ccccc1NC 34a_100000033821_100011215416 [0,2,0,0,0,0|2,0,0]=4 12331 B13R1.91 CCC(C)Oc1ccccc1NC 34a_100011202597_200000210301 [0,2,0,0,0,0|2,0,0]=4 12332 B13R1.91 CCC(C)Oc1ccccc1NC 7a_100011202597_200000210301 [0,2,0,0,0,0|2,0,0]=4 12333 B13R1.91 CCC(C)Oc1ccccc1N[13CH3] 34a_100011202597_200025704644 [0,2,0,0,0,0|2,0,0]=4 12334 B13R1.91 CCC(C)Oc1ccccc1N[13CH3] 7a_100011202597_200025704644 [0,2,0,0,0,0|2,0,0]=4 12335 B13R1.91 CCC(C)Oc1ccccc1OC 34a_100000210385_100011215416 [0,2,0,0,0,0|2,0,0]=4 12336 B13R1.91 CCC(C)Oc1ccccc1SC 34a_100011216402_100011215416 [0,2,0,0,0,0|2,0,0]=4 12337 B13R1.91 CCC(C)Sc1ccccc1C#N 62a_100000758301_100000188569 [0,2,0,0,0,0|2,0,0]=4 12338 B13R1.91 CCC(C)Sc1ccccc1C=O 62a_100000210073_100000758301 [0,2,0,0,0,0|2,0,0]=4 12339 B13R1.91 CCC(C)Sc1ccccc1C=O 62a_100000758301_100000210073 [0,2,0,0,0,0|2,0,0]=4 12340 B13R1.91 CCC(C)Sc1ccccc1CN 62a_100000689332_100000758301 [0,2,0,0,0,0|2,0,0]=4 12341 B13R1.91 CCC(C)Sc1ccccc1CN 62a_100000758301_100000689332 [0,2,0,0,0,0|2,0,0]=4 12342 B13R1.91 CCC(C)Sc1ccccc1CO 62a_100000187465_100000758301 [0,2,0,0,0,0|2,0,0]=4 12343 B13R1.91 CCC(C)Sc1ccccc1CO 62a_100000758301_100000187465 [0,2,0,0,0,0|2,0,0]=4 12344 B13R1.91 CCC(C)Sc1ccccc1NC 62a_100000758301_100020606079 [0,2,0,0,0,0|2,0,0]=4 12345 B13R1.91 CCC(C)Sc1ccccc1NC 62a_100020606079_100000758301 [0,2,0,0,0,0|2,0,0]=4 12346 B13R1.91 CCC(C)Sc1ccccc1NN 62a_100000241748_100000758301 [0,2,0,0,0,0|2,0,0]=4 12347 B13R1.91 CCC(C)Sc1ccccc1NN 62a_100000758301_100000241748 [0,2,0,0,0,0|2,0,0]=4 12348 B13R1.91 CCC(C)Sc1ccccc1OC 62a_100000210334_100000758301 [0,2,0,0,0,0|2,0,0]=4 12349 B13R1.91 CCC(C)Sc1ccccc1OC 62a_100000758301_100000210334 [0,2,0,0,0,0|2,0,0]=4 12350 B13R1.91 CCC(C)Sc1ccccc1SC 62a_100000758301_100011217816 [0,2,0,0,0,0|2,0,0]=4 12351 B13R1.91 CCC(C)Sc1ccccc1SC 62a_100011217816_100000758301 [0,2,0,0,0,0|2,0,0]=4 12352 B13R1.91 CCN(C)Cc1ccccc1C#N 2230a_100000225621_100000181865 [0,2,0,0,0,0|2,0,0]=4 12353 B13R1.91 CCN(C)Cc1ccccc1C#N 2230a_100000225633_100000210202 [0,2,0,0,0,0|2,0,0]=4 12354 B13R1.91 CCN(C)Cc1ccccc1C#N 269982a_100000225621_100000181865 [0,2,0,0,0,0|2,0,0]=4 12355 B13R1.91 CCN(C)Cc1ccccc1C#N 269982a_100000225633_100000204670 [0,2,0,0,0,0|2,0,0]=4 12356 B13R1.91 CCN(C)Cc1ccccc1C=O 2230a_100000225621_200009853537 [0,2,0,0,0,0|2,0,0]=4 12357 B13R1.91 CCN(C)Cc1ccccc1C=O 269982a_100000225621_200009853537 [0,2,0,0,0,0|2,0,0]=4 12358 B13R1.91 CCN(C)Cc1ccccc1CO 2230a_100000044721_100000210202 [0,2,0,0,0,0|2,0,0]=4 12359 B13R1.91 CCN(C)Cc1ccccc1CO 2230a_100000225621_100009816955 [0,2,0,0,0,0|2,0,0]=4 12360 B13R1.91 CCN(C)Cc1ccccc1CO 269982a_100000044721_100000204670 [0,2,0,0,0,0|2,0,0]=4 12361 B13R1.91 CCN(C)Cc1ccccc1CO 269982a_100000225621_100009816955 [0,2,0,0,0,0|2,0,0]=4 12362 B13R1.91 CCN(C)Cc1ccccc1OC 2230a_100000184376_100000210202 [0,2,0,0,0,0|2,0,0]=4 12363 B13R1.91 CCN(C)Cc1ccccc1OC 2230a_100000225621_100000210004 [0,2,0,0,0,0|2,0,0]=4 12364 B13R1.91 CCN(C)Cc1ccccc1OC 269982a_100000184376_100000204670 [0,2,0,0,0,0|2,0,0]=4 12365 B13R1.91 CCN(C)Cc1ccccc1OC 269982a_100000225621_100000210004 [0,2,0,0,0,0|2,0,0]=4 12366 B13R1.91 CCN(C)Cc1ccccc1SC 2230a_100000225621_100000699184 [0,2,0,0,0,0|2,0,0]=4 12367 B13R1.91 CCN(C)Cc1ccccc1SC 269982a_100000225621_100000699184 [0,2,0,0,0,0|2,0,0]=4 12368 B13R1.91 CCc1ccccc1NC(C)CC 2230a_100000212081_100000758301 [0,2,0,0,0,0|2,0,0]=4 12369 B13R1.91 CCc1ccccc1NC(C)CC 34a_100000212081_100011215416 [0,2,0,0,0,0|2,0,0]=4 12370 B13R1.91 CCc1ccccc1NC(C)CC 7a_100000212081_100000758301 [0,2,0,0,0,0|2,0,0]=4 12371 B13R1.91 CCc1ccccc1OC(C)CC 34a_100000210936_100011215416 [0,2,0,0,0,0|2,0,0]=4 12372 B13R1.91 CCc1ccccc1OC(C)CC 7a_100000210936_100000758301 [0,2,0,0,0,0|2,0,0]=4 12373 B13R1.91 CCc1ccccc1SC(C)CC 62a_100000758301_100011215823 [0,2,0,0,0,0|2,0,0]=4 12374 B13R1.91 CCc1ccccc1SC(C)CC 62a_100011215823_100000758301 [0,2,0,0,0,0|2,0,0]=4 12375 B13R1.91 CCc1ccccc1SC(C)OC 62a_100009879195_100011215823 [0,2,0,0,0,0|2,0,0]=4 12376 B13R1.91 CCc1ccccc1SC(C)OC 62a_100011215823_100009879195 [0,2,0,0,0,0|2,0,0]=4 12377 B13R1.91 CNC(=O)Cc1ccccc1C#N 11a_106832991635_100000238613 [0,2,0,0,0,0|1,0,1]=4 12378 B13R1.91 CNC(=O)Cc1ccccc1C#N 527a_100102657272_100000238613 [0,2,0,0,0,0|1,0,1]=4 12379 B13R1.91 CNC(=O)Cc1ccccc1NC 2230a_100000738506_200000210301 [0,2,0,0,0,0|1,0,1]=4 12380 B13R1.91 CNC(=O)Cc1ccccc1NC 34a_100000738506_200000210301 [0,2,0,0,0,0|1,0,1]=4 12381 B13R1.91 CNC(=O)Cc1ccccc1N[13CH3] 2230a_100000738506_200025704644 [0,2,0,0,0,0|1,0,1]=4 12382 B13R1.91 CNC(=O)Cc1ccccc1N[13CH3] 34a_100000738506_200025704644 [0,2,0,0,0,0|1,0,1]=4 12383 B13R1.91 CNC(=O)Cc1ccccc1OC 11a_106832991635_100000211604 [0,2,0,0,0,0|1,0,1]=4 12384 B13R1.91 CNC(=O)Cc1ccccc1OC 1626a_100102657272_100000211604 [0,2,0,0,0,0|1,0,1]=4 12385 B13R1.91 CNC(=O)Cc1ccccc1OC 240690a_100102657272_100000211604 [0,2,0,0,0,0|1,0,1]=4 12386 B13R1.91 CNC(=O)Cc1ccccc1OC 527a_100102657272_100000211604 [0,2,0,0,0,0|1,0,1]=4 12387 B13R1.91 CNC(=O)Cc1ccccc1SC 62a_200000210301_200009816160 [0,2,0,0,0,0|1,0,1]=4 12388 B13R1.91 CNC(=O)Cc1ccccc1SC 62a_200009816160_200000210301 [0,2,0,0,0,0|1,0,1]=4 12389 B13R1.91 CNC(=O)Cc1ccccc1S[13CH3] 62a_200009816160_200025704644 [0,2,0,0,0,0|1,0,1]=4 12390 B13R1.91 CNC(=O)Cc1ccccc1S[13CH3] 62a_200025704644_200009816160 [0,2,0,0,0,0|1,0,1]=4 12391 B13R1.91 CNC(C)Cc1ccccc1OC 270004a_106832991635_100000211486 [0,2,0,0,0,0|0,0,0]=2 12392 B13R1.91 CNc1ccccc1SC(C)OC 62a_100009879195_100020606079 [0,2,0,0,0,0|2,0,0]=4 12393 B13R1.91 CNc1ccccc1SC(C)OC 62a_100020606079_100009879195 [0,2,0,0,0,0|2,0,0]=4 12394 B13R1.91 COC(C)Sc1ccccc1C#N 62a_100009879195_100000188569 [0,2,0,0,0,0|2,0,0]=4 12395 B13R1.91 COC(C)Sc1ccccc1C=O 62a_100000210073_100009879195 [0,2,0,0,0,0|2,0,0]=4 12396 B13R1.91 COC(C)Sc1ccccc1C=O 62a_100009879195_100000210073 [0,2,0,0,0,0|2,0,0]=4 12397 B13R1.91 COC(C)Sc1ccccc1CN 62a_100000689332_100009879195 [0,2,0,0,0,0|2,0,0]=4 12398 B13R1.91 COC(C)Sc1ccccc1CN 62a_100009879195_100000689332 [0,2,0,0,0,0|2,0,0]=4 12399 B13R1.91 COC(C)Sc1ccccc1CO 62a_100000187465_100009879195 [0,2,0,0,0,0|2,0,0]=4 12400 B13R1.91 COC(C)Sc1ccccc1CO 62a_100009879195_100000187465 [0,2,0,0,0,0|2,0,0]=4 12401 B13R1.91 COC(C)Sc1ccccc1NN 62a_100000241748_100009879195 [0,2,0,0,0,0|2,0,0]=4 12402 B13R1.91 COC(C)Sc1ccccc1NN 62a_100009879195_100000241748 [0,2,0,0,0,0|2,0,0]=4 12403 B13R1.91 COC(C)Sc1ccccc1SC 62a_100009879195_100011217816 [0,2,0,0,0,0|2,0,0]=4 12404 B13R1.91 COC(C)Sc1ccccc1SC 62a_100011217816_100009879195 [0,2,0,0,0,0|2,0,0]=4 12405 B13R1.91 COc1ccccc1CC(C)OC 7a_100000691916_200000210301 [0,2,0,0,0,0|1,0,0]=3 12406 B13R1.91 COc1ccccc1CC(C)O[13CH3] 7a_100000691916_200025704644 [0,2,0,0,0,0|1,0,0]=3 12407 B13R1.91 COc1ccccc1SC(C)OC 62a_100000210334_100009879195 [0,2,0,0,0,0|2,0,0]=4 12408 B13R1.91 COc1ccccc1SC(C)OC 62a_100009879195_100000210334 [0,2,0,0,0,0|2,0,0]=4 12409 B13R1.4928 CCC(C)Nc1c(cccc1Br)Br 34a_100000690995_100011215416 [0,2,0,0,0,0|2,0,0]=4 12410 B13R1.4928 CCC(C)Nc1c(cccc1Br)C 34a_100011834072_100011215416 [0,2,0,0,0,0|2,0,0]=4 12411 B13R1.4928 CCC(C)Nc1c(cccc1Br)Cl 34a_100102946385_100011215416 [0,2,0,0,0,0|2,0,0]=4 12412 B13R1.4928 CCC(C)Nc1c(cccc1Br)F 34a_100000684712_100011215416 [0,2,0,0,0,0|2,0,0]=4 12413 B13R1.4928 CCC(C)Nc1c(cccc1Br)O 34a_100011934926_100011215416 [0,2,0,0,0,0|2,0,0]=4 12414 B13R1.4928 CCC(C)Nc1c(cccc1C)C 34a_100000185769_100011215416 [0,2,0,0,0,0|2,0,0]=4 12415 B13R1.4928 CCC(C)Nc1c(cccc1Cl)C 34a_100000756524_100011215416 [0,2,0,0,0,0|2,0,0]=4 12416 B13R1.4928 CCC(C)Nc1c(cccc1Cl)Cl 34a_100000210028_100011215416 [0,2,0,0,0,0|2,0,0]=4 12417 B13R1.4928 CCC(C)Nc1c(cccc1Cl)F 34a_100000760031_100011215416 [0,2,0,0,0,0|2,0,0]=4 12418 B13R1.4928 CCC(C)Nc1c(cccc1Cl)O 34a_100012022510_100011215416 [0,2,0,0,0,0|2,0,0]=4 12419 B13R1.4928 CCC(C)Nc1c(cccc1F)C 34a_100000766463_100011215416 [0,2,0,0,0,0|2,0,0]=4 12420 B13R1.4928 CCC(C)Nc1c(cccc1F)F 2230a_100000210704_100000758301 [0,2,0,0,0,0|2,0,0]=4 12421 B13R1.4928 CCC(C)Nc1c(cccc1F)F 34a_100000210704_100011215416 [0,2,0,0,0,0|2,0,0]=4 12422 B13R1.4928 CCC(C)Nc1c(cccc1F)O 34a_100020591140_100011215416 [0,2,0,0,0,0|2,0,0]=4 12423 B13R1.4928 CCC(C)Nc1c(cccc1I)F 34a_100000042321_100011215416 [0,2,0,0,0,0|2,0,0]=4 12424 B13R1.4928 CCC(C)Nc1c(cccc1O)C 34a_100000743429_100011215416 [0,2,0,0,0,0|2,0,0]=4 12425 B13R1.4928 CCC(C)Oc1c(cccc1Br)Br 34a_100000736428_100011215416 [0,2,0,0,0,0|2,0,0]=4 12426 B13R1.4928 CCC(C)Oc1c(cccc1Br)Br 7a_100000736428_100000758301 [0,2,0,0,0,0|2,0,0]=4 12427 B13R1.4928 CCC(C)Oc1c(cccc1Br)C 34a_100009817157_100011215416 [0,2,0,0,0,0|2,0,0]=4 12428 B13R1.4928 CCC(C)Oc1c(cccc1Br)C 7a_100009817157_100000758301 [0,2,0,0,0,0|2,0,0]=4 12429 B13R1.4928 CCC(C)Oc1c(cccc1Br)Cl 34a_100010214474_100011215416 [0,2,0,0,0,0|2,0,0]=4 12430 B13R1.4928 CCC(C)Oc1c(cccc1Br)Cl 7a_100010214474_100000758301 [0,2,0,0,0,0|2,0,0]=4 12431 B13R1.4928 CCC(C)Oc1c(cccc1Br)F 34a_100009813666_100011215416 [0,2,0,0,0,0|2,0,0]=4 12432 B13R1.4928 CCC(C)Oc1c(cccc1Br)F 7a_100009813666_100000758301 [0,2,0,0,0,0|2,0,0]=4 12433 B13R1.4928 CCC(C)Oc1c(cccc1Br)N 34a_100011934915_100011215416 [0,2,0,0,0,0|2,0,0]=4 12434 B13R1.4928 CCC(C)Oc1c(cccc1C)C 34a_100000210341_100011215416 [0,2,0,0,0,0|2,0,0]=4 12435 B13R1.4928 CCC(C)Oc1c(cccc1C)C 7a_100000210341_100000758301 [0,2,0,0,0,0|2,0,0]=4 12436 B13R1.4928 CCC(C)Oc1c(cccc1Cl)C 34a_100000033731_100011215416 [0,2,0,0,0,0|2,0,0]=4 12437 B13R1.4928 CCC(C)Oc1c(cccc1Cl)C 7a_100000033731_100000758301 [0,2,0,0,0,0|2,0,0]=4 12438 B13R1.4928 CCC(C)Oc1c(cccc1Cl)Cl 34a_100000211709_100011215416 [0,2,0,0,0,0|2,0,0]=4 12439 B13R1.4928 CCC(C)Oc1c(cccc1Cl)Cl 7a_100000211709_100000758301 [0,2,0,0,0,0|2,0,0]=4 12440 B13R1.4928 CCC(C)Oc1c(cccc1Cl)F 34a_100000694953_100011215416 [0,2,0,0,0,0|2,0,0]=4 12441 B13R1.4928 CCC(C)Oc1c(cccc1Cl)F 7a_100000694953_100000758301 [0,2,0,0,0,0|2,0,0]=4 12442 B13R1.4928 CCC(C)Oc1c(cccc1Cl)N 34a_100000754742_100011215416 [0,2,0,0,0,0|2,0,0]=4 12443 B13R1.4928 CCC(C)Oc1c(cccc1F)C 34a_100011659162_100011215416 [0,2,0,0,0,0|2,0,0]=4 12444 B13R1.4928 CCC(C)Oc1c(cccc1F)C 7a_100011659162_100000758301 [0,2,0,0,0,0|2,0,0]=4 12445 B13R1.4928 CCC(C)Oc1c(cccc1F)F 34a_100000230165_100011215416 [0,2,0,0,0,0|2,0,0]=4 12446 B13R1.4928 CCC(C)Oc1c(cccc1F)F 7a_100000230165_100000758301 [0,2,0,0,0,0|2,0,0]=4 12447 B13R1.4928 CCC(C)Oc1c(cccc1F)N 34a_100011934987_100011215416 [0,2,0,0,0,0|2,0,0]=4 12448 B13R1.4928 CCC(C)Oc1c(cccc1I)Br 34a_100010084509_100011215416 [0,2,0,0,0,0|2,0,0]=4 12449 B13R1.4928 CCC(C)Oc1c(cccc1I)Br 7a_100010084509_100000758301 [0,2,0,0,0,0|2,0,0]=4 12450 B13R1.4928 CCC(C)Oc1c(cccc1I)Cl 34a_100010202889_100011215416 [0,2,0,0,0,0|2,0,0]=4 12451 B13R1.4928 CCC(C)Oc1c(cccc1I)Cl 7a_100010202889_100000758301 [0,2,0,0,0,0|2,0,0]=4 12452 B13R1.4928 CCC(C)Oc1c(cccc1I)F 34a_100010186298_100011215416 [0,2,0,0,0,0|2,0,0]=4 12453 B13R1.4928 CCC(C)Oc1c(cccc1I)F 7a_100010186298_100000758301 [0,2,0,0,0,0|2,0,0]=4 12454 B13R1.4928 CCC(C)Oc1c(cccc1I)N 34a_100010084371_100011215416 [0,2,0,0,0,0|2,0,0]=4 12455 B13R1.4928 CCC(C)Oc1c(cccc1N)C 34a_100000756359_100011215416 [0,2,0,0,0,0|2,0,0]=4 12456 B13R1.4928 CCC(C)Oc1c(cccc1N)C 7a_100000756359_100000758301 [0,2,0,0,0,0|2,0,0]=4 12457 B13R1.4928 CCC(C)Oc1c(cccc1N)N 34a_200016994477_100011215416 [0,2,0,0,0,0|2,0,0]=4 12458 B13R1.4928 CCC(C)Sc1c(cccc1Br)Br 62a_100000758301_100009994525 [0,2,0,0,0,0|2,0,0]=4 12459 B13R1.4928 CCC(C)Sc1c(cccc1Br)Br 62a_100009994525_100000758301 [0,2,0,0,0,0|2,0,0]=4 12460 B13R1.4928 CCC(C)Sc1c(cccc1Br)C 62a_100000758301_100010141302 [0,2,0,0,0,0|2,0,0]=4 12461 B13R1.4928 CCC(C)Sc1c(cccc1Br)C 62a_100010141302_100000758301 [0,2,0,0,0,0|2,0,0]=4 12462 B13R1.4928 CCC(C)Sc1c(cccc1Br)Cl 62a_100000758301_100010214488 [0,2,0,0,0,0|2,0,0]=4 12463 B13R1.4928 CCC(C)Sc1c(cccc1Br)Cl 62a_100010214488_100000758301 [0,2,0,0,0,0|2,0,0]=4 12464 B13R1.4928 CCC(C)Sc1c(cccc1Br)F 62a_100000758301_100011219512 [0,2,0,0,0,0|2,0,0]=4 12465 B13R1.4928 CCC(C)Sc1c(cccc1Br)F 62a_100011219512_100000758301 [0,2,0,0,0,0|2,0,0]=4 12466 B13R1.4928 CCC(C)Sc1c(cccc1Br)N 62a_100000758301_100020590159 [0,2,0,0,0,0|2,0,0]=4 12467 B13R1.4928 CCC(C)Sc1c(cccc1Br)N 62a_100020590159_100000758301 [0,2,0,0,0,0|2,0,0]=4 12468 B13R1.4928 CCC(C)Sc1c(cccc1Br)O 62a_100000758301_100010187912 [0,2,0,0,0,0|2,0,0]=4 12469 B13R1.4928 CCC(C)Sc1c(cccc1Br)O 62a_100010187912_100000758301 [0,2,0,0,0,0|2,0,0]=4 12470 B13R1.4928 CCC(C)Sc1c(cccc1C)C 62a_100000033847_100000758301 [0,2,0,0,0,0|2,0,0]=4 12471 B13R1.4928 CCC(C)Sc1c(cccc1C)C 62a_100000758301_100000033847 [0,2,0,0,0,0|2,0,0]=4 12472 B13R1.4928 CCC(C)Sc1c(cccc1Cl)C 62a_100000043165_100000758301 [0,2,0,0,0,0|2,0,0]=4 12473 B13R1.4928 CCC(C)Sc1c(cccc1Cl)C 62a_100000758301_100000043165 [0,2,0,0,0,0|2,0,0]=4 12474 B13R1.4928 CCC(C)Sc1c(cccc1Cl)Cl 62a_100000034237_100000758301 [0,2,0,0,0,0|2,0,0]=4 12475 B13R1.4928 CCC(C)Sc1c(cccc1Cl)Cl 62a_100000758301_100000034237 [0,2,0,0,0,0|2,0,0]=4 12476 B13R1.4928 CCC(C)Sc1c(cccc1Cl)F 62a_100000050007_100000758301 [0,2,0,0,0,0|2,0,0]=4 12477 B13R1.4928 CCC(C)Sc1c(cccc1Cl)F 62a_100000758301_100000050007 [0,2,0,0,0,0|2,0,0]=4 12478 B13R1.4928 CCC(C)Sc1c(cccc1Cl)N 62a_100000049713_100000758301 [0,2,0,0,0,0|2,0,0]=4 12479 B13R1.4928 CCC(C)Sc1c(cccc1Cl)N 62a_100000758301_100000049713 [0,2,0,0,0,0|2,0,0]=4 12480 B13R1.4928 CCC(C)Sc1c(cccc1Cl)O 62a_100000758301_100000050174 [0,2,0,0,0,0|2,0,0]=4 12481 B13R1.4928 CCC(C)Sc1c(cccc1F)C 62a_100000758301_100011218421 [0,2,0,0,0,0|2,0,0]=4 12482 B13R1.4928 CCC(C)Sc1c(cccc1F)C 62a_100011218421_100000758301 [0,2,0,0,0,0|2,0,0]=4 12483 B13R1.4928 CCC(C)Sc1c(cccc1F)F 62a_100000693133_100000758301 [0,2,0,0,0,0|2,0,0]=4 12484 B13R1.4928 CCC(C)Sc1c(cccc1F)F 62a_100000758301_100000693133 [0,2,0,0,0,0|2,0,0]=4 12485 B13R1.4928 CCC(C)Sc1c(cccc1F)N 62a_100000690935_100000758301 [0,2,0,0,0,0|2,0,0]=4 12486 B13R1.4928 CCC(C)Sc1c(cccc1F)N 62a_100000758301_100000690935 [0,2,0,0,0,0|2,0,0]=4 12487 B13R1.4928 CCC(C)Sc1c(cccc1F)O 62a_100000758301_100009820682 [0,2,0,0,0,0|2,0,0]=4 12488 B13R1.4928 CCC(C)Sc1c(cccc1F)O 62a_100009820682_100000758301 [0,2,0,0,0,0|2,0,0]=4 12489 B13R1.4928 CCC(C)Sc1c(cccc1N)C 62a_100000684715_100000758301 [0,2,0,0,0,0|2,0,0]=4 12490 B13R1.4928 CCC(C)Sc1c(cccc1N)C 62a_100000758301_100000684715 [0,2,0,0,0,0|2,0,0]=4 12491 B13R1.4928 CCC(C)Sc1c(cccc1O)C 62a_100000686692_100000758301 [0,2,0,0,0,0|2,0,0]=4 12492 B13R1.4928 CCC(C)Sc1c(cccc1O)C 62a_100000758301_100000686692 [0,2,0,0,0,0|2,0,0]=4 12493 B13R1.4928 CCC(C)Sc1c(cccc1O)N 62a_100000758301_100012183704 [0,2,0,0,0,0|2,0,0]=4 12494 B13R1.4928 CCC(C)Sc1c(cccc1O)N 62a_100012183704_100000758301 [0,2,0,0,0,0|2,0,0]=4 12495 B13R1.4928 CCC(C)Sc1c(cccc1O)O 62a_100000758301_100010205330 [0,2,0,0,0,0|2,0,0]=4 12496 B13R1.4928 CCN(C)Cc1c(cccc1Br)Br 26a_100000225621_100000736428 [0,2,0,0,0,0|2,0,0]=4 12497 B13R1.4928 CCN(C)Cc1c(cccc1Br)C 2230a_100000225621_100010146847 [0,2,0,0,0,0|2,0,0]=4 12498 B13R1.4928 CCN(C)Cc1c(cccc1Br)C 269982a_100000225621_100010146847 [0,2,0,0,0,0|2,0,0]=4 12499 B13R1.4928 CCN(C)Cc1c(cccc1Br)C 26a_100000225621_100009817157 [0,2,0,0,0,0|2,0,0]=4 12500 B13R1.4928 CCN(C)Cc1c(cccc1Br)Cl 2230a_100000225621_100010138402 [0,2,0,0,0,0|2,0,0]=4 12501 B13R1.4928 CCN(C)Cc1c(cccc1Br)Cl 269982a_100000225621_100010138402 [0,2,0,0,0,0|2,0,0]=4 12502 B13R1.4928 CCN(C)Cc1c(cccc1Br)Cl 26a_100000225621_100010214474 [0,2,0,0,0,0|2,0,0]=4 12503 B13R1.4928 CCN(C)Cc1c(cccc1Br)F 2230a_100000225621_100012145669 [0,2,0,0,0,0|2,0,0]=4 12504 B13R1.4928 CCN(C)Cc1c(cccc1Br)F 2230a_106744473292_100000210202 [0,2,0,0,0,0|2,0,0]=4 12505 B13R1.4928 CCN(C)Cc1c(cccc1Br)F 269982a_100000225621_100012145669 [0,2,0,0,0,0|2,0,0]=4 12506 B13R1.4928 CCN(C)Cc1c(cccc1Br)F 269982a_106744473292_100000204670 [0,2,0,0,0,0|2,0,0]=4 12507 B13R1.4928 CCN(C)Cc1c(cccc1Br)F 26a_100000225621_100009813666 [0,2,0,0,0,0|2,0,0]=4 12508 B13R1.4928 CCN(C)Cc1c(cccc1Br)F 34a_106744473292_100000210202 [0,2,0,0,0,0|2,0,0]=4 12509 B13R1.4928 CCN(C)Cc1c(cccc1C)C 2230a_100000225621_100000758300 [0,2,0,0,0,0|2,0,0]=4 12510 B13R1.4928 CCN(C)Cc1c(cccc1C)C 269982a_100000225621_100000758300 [0,2,0,0,0,0|2,0,0]=4 12511 B13R1.4928 CCN(C)Cc1c(cccc1Cl)Cl 2230a_100000186903_100000210202 [0,2,0,0,0,0|2,0,0]=4 12512 B13R1.4928 CCN(C)Cc1c(cccc1Cl)Cl 2230a_100000225621_100000187851 [0,2,0,0,0,0|2,0,0]=4 12513 B13R1.4928 CCN(C)Cc1c(cccc1Cl)Cl 269982a_100000186903_100000204670 [0,2,0,0,0,0|2,0,0]=4 12514 B13R1.4928 CCN(C)Cc1c(cccc1Cl)Cl 269982a_100000225621_100000211241 [0,2,0,0,0,0|2,0,0]=4 12515 B13R1.4928 CCN(C)Cc1c(cccc1Cl)Cl 26a_100000225621_100000211709 [0,2,0,0,0,0|2,0,0]=4 12516 B13R1.4928 CCN(C)Cc1c(cccc1Cl)Cl 34a_100000186903_100000210202 [0,2,0,0,0,0|2,0,0]=4 12517 B13R1.4928 CCN(C)Cc1c(cccc1Cl)F 2230a_100000184537_100000210202 [0,2,0,0,0,0|2,0,0]=4 12518 B13R1.4928 CCN(C)Cc1c(cccc1Cl)F 2230a_100000225621_100000187852 [0,2,0,0,0,0|2,0,0]=4 12519 B13R1.4928 CCN(C)Cc1c(cccc1Cl)F 2230a_200000186927_200000210301 [0,2,0,0,0,0|2,0,0]=4 12520 B13R1.4928 CCN(C)Cc1c(cccc1Cl)F 269982a_100000184537_100000204670 [0,2,0,0,0,0|2,0,0]=4 12521 B13R1.4928 CCN(C)Cc1c(cccc1Cl)F 269982a_100000225621_100000187852 [0,2,0,0,0,0|2,0,0]=4 12522 B13R1.4928 CCN(C)Cc1c(cccc1Cl)F 269982a_200000186927_200000210301 [0,2,0,0,0,0|2,0,0]=4 12523 B13R1.4928 CCN(C)Cc1c(cccc1Cl)F 34a_100000184537_100000210202 [0,2,0,0,0,0|2,0,0]=4 12524 B13R1.4928 CCN(C)Cc1c(cccc1Cl)F 34a_200000186927_200000210301 [0,2,0,0,0,0|2,0,0]=4 12525 B13R1.4928 CCN(C)Cc1c(cccc1F)C 2230a_100000225621_100009814554 [0,2,0,0,0,0|2,0,0]=4 12526 B13R1.4928 CCN(C)Cc1c(cccc1F)C 269982a_100000225621_100009814554 [0,2,0,0,0,0|2,0,0]=4 12527 B13R1.4928 CCN(C)Cc1c(cccc1F)F 2230a_100000201297_200000210301 [0,2,0,0,0,0|2,0,0]=4 12528 B13R1.4928 CCN(C)Cc1c(cccc1F)F 2230a_100000225621_100000698325 [0,2,0,0,0,0|2,0,0]=4 12529 B13R1.4928 CCN(C)Cc1c(cccc1F)F 269982a_100000201297_200000210301 [0,2,0,0,0,0|2,0,0]=4 12530 B13R1.4928 CCN(C)Cc1c(cccc1F)F 269982a_100000225621_100000709179 [0,2,0,0,0,0|2,0,0]=4 12531 B13R1.4928 CCN(C)Cc1c(cccc1F)F 34a_100000201297_200000210301 [0,2,0,0,0,0|2,0,0]=4 12532 B13R1.4928 CCN(C)Cc1c(cccc1I)Br 2230a_100000225621_100010146611 [0,2,0,0,0,0|2,0,0]=4 12533 B13R1.4928 CCN(C)Cc1c(cccc1I)Br 269982a_100000225621_100010146611 [0,2,0,0,0,0|2,0,0]=4 12534 B13R1.4928 CCN(C)Cc1c(cccc1I)Br 26a_100000225621_100010084509 [0,2,0,0,0,0|2,0,0]=4 12535 B13R1.4928 CCN(C)Cc1c(cccc1I)C 2230a_100000225621_100010150146 [0,2,0,0,0,0|2,0,0]=4 12536 B13R1.4928 CCN(C)Cc1c(cccc1I)C 269982a_100000225621_100010150146 [0,2,0,0,0,0|2,0,0]=4 12537 B13R1.4928 CCN(C)Cc1c(cccc1I)F 2230a_100000225621_100010149602 [0,2,0,0,0,0|2,0,0]=4 12538 B13R1.4928 CCN(C)Cc1c(cccc1I)F 269982a_100000225621_100010149602 [0,2,0,0,0,0|2,0,0]=4 12539 B13R1.4928 CCN([13CH3])Cc1c(cccc1Cl)F 2230a_200000186927_200025704644 [0,2,0,0,0,0|2,0,0]=4 12540 B13R1.4928 CCN([13CH3])Cc1c(cccc1Cl)F 269982a_200000186927_200025704644 [0,2,0,0,0,0|2,0,0]=4 12541 B13R1.4928 CCN([13CH3])Cc1c(cccc1Cl)F 34a_200000186927_200025704644 [0,2,0,0,0,0|2,0,0]=4 12542 B13R1.4928 CCN([13CH3])Cc1c(cccc1F)F 2230a_100000201297_200025704644 [0,2,0,0,0,0|2,0,0]=4 12543 B13R1.4928 CCN([13CH3])Cc1c(cccc1F)F 269982a_100000201297_200025704644 [0,2,0,0,0,0|2,0,0]=4 12544 B13R1.4928 CCN([13CH3])Cc1c(cccc1F)F 34a_100000201297_200025704644 [0,2,0,0,0,0|2,0,0]=4 12545 B13R1.4928 CNC(=O)Cc1c(cccc1Br)Br 11a_106832991635_100010209379 [0,2,0,0,0,0|1,0,1]=4 12546 B13R1.4928 CNC(=O)Cc1c(cccc1Br)Br 240690a_100102657272_100010209379 [0,2,0,0,0,0|1,0,1]=4 12547 B13R1.4928 CNC(=O)Cc1c(cccc1Br)Br 527a_100102657272_100010209379 [0,2,0,0,0,0|1,0,1]=4 12548 B13R1.4928 CNC(=O)Cc1c(cccc1Br)C 11a_106832991635_100010147022 [0,2,0,0,0,0|1,0,1]=4 12549 B13R1.4928 CNC(=O)Cc1c(cccc1Br)C 1626a_100102657272_100010147022 [0,2,0,0,0,0|1,0,1]=4 12550 B13R1.4928 CNC(=O)Cc1c(cccc1Br)C 240690a_100102657272_100010147022 [0,2,0,0,0,0|1,0,1]=4 12551 B13R1.4928 CNC(=O)Cc1c(cccc1Br)C 527a_100102657272_100010147022 [0,2,0,0,0,0|1,0,1]=4 12552 B13R1.4928 CNC(=O)Cc1c(cccc1Br)Cl 11a_106832991635_100013084675 [0,2,0,0,0,0|1,0,1]=4 12553 B13R1.4928 CNC(=O)Cc1c(cccc1Br)Cl 1626a_100102657272_100013084675 [0,2,0,0,0,0|1,0,1]=4 12554 B13R1.4928 CNC(=O)Cc1c(cccc1Br)Cl 240690a_100102657272_100013084675 [0,2,0,0,0,0|1,0,1]=4 12555 B13R1.4928 CNC(=O)Cc1c(cccc1Br)Cl 527a_100102657272_100013084675 [0,2,0,0,0,0|1,0,1]=4 12556 B13R1.4928 CNC(=O)Cc1c(cccc1Br)F 11a_106832991635_100010172741 [0,2,0,0,0,0|1,0,1]=4 12557 B13R1.4928 CNC(=O)Cc1c(cccc1Br)F 1626a_100102657272_100010172741 [0,2,0,0,0,0|1,0,1]=4 12558 B13R1.4928 CNC(=O)Cc1c(cccc1Br)F 240690a_100102657272_100010172741 [0,2,0,0,0,0|1,0,1]=4 12559 B13R1.4928 CNC(=O)Cc1c(cccc1Br)F 527a_100102657272_100010172741 [0,2,0,0,0,0|1,0,1]=4 12560 B13R1.4928 CNC(=O)Cc1c(cccc1C)C 11a_106832991635_100000689862 [0,2,0,0,0,0|1,0,1]=4 12561 B13R1.4928 CNC(=O)Cc1c(cccc1C)C 1626a_100102657272_100000689862 [0,2,0,0,0,0|1,0,1]=4 12562 B13R1.4928 CNC(=O)Cc1c(cccc1C)C 240690a_100102657272_100000689862 [0,2,0,0,0,0|1,0,1]=4 12563 B13R1.4928 CNC(=O)Cc1c(cccc1C)C 527a_100102657272_100000689862 [0,2,0,0,0,0|1,0,1]=4 12564 B13R1.4928 CNC(=O)Cc1c(cccc1Cl)Cl 11a_106832991635_100000211232 [0,2,0,0,0,0|1,0,1]=4 12565 B13R1.4928 CNC(=O)Cc1c(cccc1Cl)Cl 1626a_100102657272_100000211232 [0,2,0,0,0,0|1,0,1]=4 12566 B13R1.4928 CNC(=O)Cc1c(cccc1Cl)Cl 240690a_100102657272_100000211232 [0,2,0,0,0,0|1,0,1]=4 12567 B13R1.4928 CNC(=O)Cc1c(cccc1Cl)Cl 527a_100102657272_100000211232 [0,2,0,0,0,0|1,0,1]=4 12568 B13R1.4928 CNC(=O)Cc1c(cccc1Cl)F 11a_106832991635_100000185183 [0,2,0,0,0,0|1,0,1]=4 12569 B13R1.4928 CNC(=O)Cc1c(cccc1Cl)F 1626a_100102657272_100000185183 [0,2,0,0,0,0|1,0,1]=4 12570 B13R1.4928 CNC(=O)Cc1c(cccc1Cl)F 240690a_100102657272_100000185183 [0,2,0,0,0,0|1,0,1]=4 12571 B13R1.4928 CNC(=O)Cc1c(cccc1Cl)F 527a_100102657272_100000185183 [0,2,0,0,0,0|1,0,1]=4 12572 B13R1.4928 CNC(=O)Cc1c(cccc1F)F 11a_106832991635_100000684726 [0,2,0,0,0,0|1,0,1]=4 12573 B13R1.4928 CNC(=O)Cc1c(cccc1F)F 1626a_100102657272_100000684726 [0,2,0,0,0,0|1,0,1]=4 12574 B13R1.4928 CNC(=O)Cc1c(cccc1F)F 240690a_100102657272_100000684726 [0,2,0,0,0,0|1,0,1]=4 12575 B13R1.4928 CNC(=O)Cc1c(cccc1F)F 527a_100102657272_100000684726 [0,2,0,0,0,0|1,0,1]=4 12576 B13R1.4928 CNC(C)Cc1c(cccc1Cl)Cl 270004a_106832991635_100000692661 [0,2,0,0,0,0|0,0,0]=2 12577 B13R1.4928 COC(C)Sc1c(cccc1Br)Br 62a_100009879195_100009994525 [0,2,0,0,0,0|2,0,0]=4 12578 B13R1.4928 COC(C)Sc1c(cccc1Br)Br 62a_100009994525_100009879195 [0,2,0,0,0,0|2,0,0]=4 12579 B13R1.4928 COC(C)Sc1c(cccc1Br)C 62a_100009879195_100010141302 [0,2,0,0,0,0|2,0,0]=4 12580 B13R1.4928 COC(C)Sc1c(cccc1Br)C 62a_100010141302_100009879195 [0,2,0,0,0,0|2,0,0]=4 12581 B13R1.4928 COC(C)Sc1c(cccc1Br)Cl 62a_100009879195_100010214488 [0,2,0,0,0,0|2,0,0]=4 12582 B13R1.4928 COC(C)Sc1c(cccc1Br)Cl 62a_100010214488_100009879195 [0,2,0,0,0,0|2,0,0]=4 12583 B13R1.4928 COC(C)Sc1c(cccc1Br)F 62a_100009879195_100011219512 [0,2,0,0,0,0|2,0,0]=4 12584 B13R1.4928 COC(C)Sc1c(cccc1Br)F 62a_100011219512_100009879195 [0,2,0,0,0,0|2,0,0]=4 12585 B13R1.4928 COC(C)Sc1c(cccc1Br)N 62a_100009879195_100020590159 [0,2,0,0,0,0|2,0,0]=4 12586 B13R1.4928 COC(C)Sc1c(cccc1Br)N 62a_100020590159_100009879195 [0,2,0,0,0,0|2,0,0]=4 12587 B13R1.4928 COC(C)Sc1c(cccc1Br)O 62a_100009879195_100010187912 [0,2,0,0,0,0|2,0,0]=4 12588 B13R1.4928 COC(C)Sc1c(cccc1Br)O 62a_100010187912_100009879195 [0,2,0,0,0,0|2,0,0]=4 12589 B13R1.4928 COC(C)Sc1c(cccc1C)C 62a_100000033847_100009879195 [0,2,0,0,0,0|2,0,0]=4 12590 B13R1.4928 COC(C)Sc1c(cccc1C)C 62a_100009879195_100000033847 [0,2,0,0,0,0|2,0,0]=4 12591 B13R1.4928 COC(C)Sc1c(cccc1Cl)C 62a_100000043165_100009879195 [0,2,0,0,0,0|2,0,0]=4 12592 B13R1.4928 COC(C)Sc1c(cccc1Cl)C 62a_100009879195_100000043165 [0,2,0,0,0,0|2,0,0]=4 12593 B13R1.4928 COC(C)Sc1c(cccc1Cl)Cl 62a_100000034237_100009879195 [0,2,0,0,0,0|2,0,0]=4 12594 B13R1.4928 COC(C)Sc1c(cccc1Cl)Cl 62a_100009879195_100000034237 [0,2,0,0,0,0|2,0,0]=4 12595 B13R1.4928 COC(C)Sc1c(cccc1Cl)F 62a_100000050007_100009879195 [0,2,0,0,0,0|2,0,0]=4 12596 B13R1.4928 COC(C)Sc1c(cccc1Cl)F 62a_100009879195_100000050007 [0,2,0,0,0,0|2,0,0]=4 12597 B13R1.4928 COC(C)Sc1c(cccc1Cl)N 62a_100000049713_100009879195 [0,2,0,0,0,0|2,0,0]=4 12598 B13R1.4928 COC(C)Sc1c(cccc1Cl)N 62a_100009879195_100000049713 [0,2,0,0,0,0|2,0,0]=4 12599 B13R1.4928 COC(C)Sc1c(cccc1Cl)O 62a_100009879195_100000050174 [0,2,0,0,0,0|2,0,0]=4 12600 B13R1.4928 COC(C)Sc1c(cccc1F)C 62a_100009879195_100011218421 [0,2,0,0,0,0|2,0,0]=4 12601 B13R1.4928 COC(C)Sc1c(cccc1F)C 62a_100011218421_100009879195 [0,2,0,0,0,0|2,0,0]=4 12602 B13R1.4928 COC(C)Sc1c(cccc1F)F 62a_100000693133_100009879195 [0,2,0,0,0,0|2,0,0]=4 12603 B13R1.4928 COC(C)Sc1c(cccc1F)F 62a_100009879195_100000693133 [0,2,0,0,0,0|2,0,0]=4 12604 B13R1.4928 COC(C)Sc1c(cccc1F)N 62a_100000690935_100009879195 [0,2,0,0,0,0|2,0,0]=4 12605 B13R1.4928 COC(C)Sc1c(cccc1F)N 62a_100009879195_100000690935 [0,2,0,0,0,0|2,0,0]=4 12606 B13R1.4928 COC(C)Sc1c(cccc1F)O 62a_100009820682_100009879195 [0,2,0,0,0,0|2,0,0]=4 12607 B13R1.4928 COC(C)Sc1c(cccc1F)O 62a_100009879195_100009820682 [0,2,0,0,0,0|2,0,0]=4 12608 B13R1.4928 COC(C)Sc1c(cccc1N)C 62a_100000684715_100009879195 [0,2,0,0,0,0|2,0,0]=4 12609 B13R1.4928 COC(C)Sc1c(cccc1N)C 62a_100009879195_100000684715 [0,2,0,0,0,0|2,0,0]=4 12610 B13R1.4928 COC(C)Sc1c(cccc1O)C 62a_100000686692_100009879195 [0,2,0,0,0,0|2,0,0]=4 12611 B13R1.4928 COC(C)Sc1c(cccc1O)C 62a_100009879195_100000686692 [0,2,0,0,0,0|2,0,0]=4 12612 B13R1.4928 COC(C)Sc1c(cccc1O)N 62a_100009879195_100012183704 [0,2,0,0,0,0|2,0,0]=4 12613 B13R1.4928 COC(C)Sc1c(cccc1O)N 62a_100012183704_100009879195 [0,2,0,0,0,0|2,0,0]=4 12614 B13R1.4928 COC(C)Sc1c(cccc1O)O 62a_100009879195_100010205330 [0,2,0,0,0,0|2,0,0]=4 12615 B11R1.284 C=CC=CC(=O)CC1CCC1 1458a_100016291481_100000763275 [0,0,1,1,0,0|2,0,0]=4 12616 B11R1.284 C=CC=CC(=O)CC1CCO1 1458a_100016291481_100000103362 [0,0,1,1,0,0|2,0,0]=4 12617 B11R1.345 C=CC=CC(=O)CC1(CO1)C 1458a_100016291481_100000760498 [0,0,1,1,0,0|2,0,0]=4 12618 B11R1.25 CC(CCc1ccco1)N[13CH3] 2230a_100000199034_200025704644 [0,0,1,1,0,0|1,0,1]=4 12619 B11R1.25 CC(CCc1ccco1)N[13CH3] 34a_100000199034_200025704644 [0,0,1,1,0,0|1,0,1]=4 12620 B11R1.25 CNC(C)CCc1ccco1 2230a_100000199034_200000210301 [0,0,1,1,0,0|1,0,1]=4 12621 B11R1.25 CNC(C)CCc1ccco1 34a_100000199034_200000210301 [0,0,1,1,0,0|1,0,1]=4 12622 B11R2.238 c1ccc(cc1)NC2CC2 34a_100000106764_100000211595 [1,0,0,1,0,0|2,0,0]=4 12623 B11R2.238 c1ccc(cc1)OC2CC2 34a_100000210340_100000211595 [1,0,0,1,0,0|2,0,0]=4 12624 B11R2.238 c1ccc(cc1)SC2CC2 62a_100000719477_100000211595 [1,0,0,1,0,0|2,0,0]=4 12625 B11R2.988 CNC1Cc2c1cccc2 7a_106832991635_100009813401 [1,0,0,1,0,0|0,0,0]=2 12626 B11R2.988 CSC1Cc2c1cccc2 62a_100009813401_200000210301 [1,0,0,1,0,0|1,0,0]=3 12627 B11R2.988 CSC1Cc2c1cccc2 62a_200000210301_100009813401 [1,0,0,1,0,0|1,0,0]=3 12628 B11R2.988 [13CH3]SC1Cc2c1cccc2 62a_100009813401_200025704644 [1,0,0,1,0,0|1,0,0]=3 12629 B11R2.988 [13CH3]SC1Cc2c1cccc2 62a_200025704644_100009813401 [1,0,0,1,0,0|1,0,0]=3 12630 B11R2.10 CN1Cc2ccccc2C1 2230a_100000752595_200000210301 [1,0,0,1,0,0|1,0,0]=3 12631 B11R2.10 CN1Cc2ccccc2C1 269982a_100000752595_200000210301 [1,0,0,1,0,0|1,0,0]=3 12632 B11R2.10 CN1Cc2ccccc2C1 34a_100000752595_200000210301 [1,0,0,1,0,0|1,0,0]=3 12633 B11R2.10 CN1Cc2cccnc2C1 269982a_100000726175_200000210301 [1,0,0,1,0,0|2,0,0]=4 12634 B11R2.10 CN1Cc2ccncc2C1 2230a_100000730608_200000210301 [1,0,0,1,0,0|2,0,0]=4 12635 B11R2.10 CN1Cc2ccncc2C1 269982a_100000730608_200000210301 [1,0,0,1,0,0|2,0,0]=4 12636 B11R2.10 [13CH3]N1Cc2ccccc2C1 2230a_100000752595_200025704644 [1,0,0,1,0,0|1,0,0]=3 12637 B11R2.10 [13CH3]N1Cc2ccccc2C1 269982a_100000752595_200025704644 [1,0,0,1,0,0|1,0,0]=3 12638 B11R2.10 [13CH3]N1Cc2ccccc2C1 34a_100000752595_200025704644 [1,0,0,1,0,0|1,0,0]=3 12639 B11R2.10 [13CH3]N1Cc2cccnc2C1 269982a_100000726175_200025704644 [1,0,0,1,0,0|2,0,0]=4 12640 B11R2.10 [13CH3]N1Cc2ccncc2C1 2230a_100000730608_200025704644 [1,0,0,1,0,0|2,0,0]=4 12641 B11R2.10 [13CH3]N1Cc2ccncc2C1 269982a_100000730608_200025704644 [1,0,0,1,0,0|2,0,0]=4 12642 B13R2.10 CN1CCC(C1)c2ccccc2 2230a_100000747531_200000210301 [0,0,0,1,0,1|2,0,0]=4 12643 B13R2.10 CN1CCC(C1)c2ccccc2 269982a_100000747531_200000210301 [0,0,0,1,0,1|2,0,0]=4 12644 B13R2.10 CN1CCC(C1)c2ccccc2 34a_100000747531_200000210301 [0,0,0,1,0,1|2,0,0]=4 12645 B13R2.10 [13CH3]N1CCC(C1)c2ccccc2 2230a_100000747531_200025704644 [0,0,0,1,0,1|2,0,0]=4 12646 B13R2.10 [13CH3]N1CCC(C1)c2ccccc2 269982a_100000747531_200025704644 [0,0,0,1,0,1|2,0,0]=4 12647 B13R2.10 [13CH3]N1CCC(C1)c2ccccc2 34a_100000747531_200025704644 [0,0,0,1,0,1|2,0,0]=4 12648 B13R2.17 F[C@@H]1C[C@H]1NCc2ccccc2 2230a_100025746932_100015291786 [0,0,0,1,0,1|2,0,0]=4 12649 B13R2.17 F[C@@H]1C[C@H]1NCc2ccccc2 34a_100025746932_100015291786 [0,0,0,1,0,1|2,0,0]=4 12650 B13R2.17 F[C@H]1C[C@H]1NCc2ccccc2 2230a_100015190264_100015291786 [0,0,0,1,0,1|2,0,0]=4 12651 B13R2.27 CC1CCN1Cc2ccccc2 269982a_100000755817_100000211182 [0,0,0,1,0,1|1,0,0]=3 12652 B13R2.27 CC1CCN1Cc2ccccc2 34a_100000755817_100015291786 [0,0,0,1,0,1|1,0,0]=3 12653 B13R2.27 CC1CCN1Cc2ccccn2 269982a_100000755817_100000721315 [0,0,0,1,0,1|2,0,0]=4 12654 B13R2.27 CC1CCN1Cc2ccccn2 34a_100000755817_100000721315 [0,0,0,1,0,1|2,0,0]=4 12655 B13R2.27 CC1CCN1Cc2cccnc2 269982a_100000755817_100000733263 [0,0,0,1,0,1|2,0,0]=4 12656 B13R2.27 CC1CCN1Cc2cccnc2 34a_100000755817_100000733263 [0,0,0,1,0,1|2,0,0]=4 12657 B13R2.27 CC1CCN1Cc2ccncc2 269982a_100000755817_100015193705 [0,0,0,1,0,1|2,0,0]=4 12658 B13R2.32 CC1c2ccccc2CCN1C 2230a_100011660714_200000210301 [0,0,0,1,0,1|2,0,0]=4 12659 B13R2.32 CC1c2ccccc2CCN1C 269982a_100011660714_200000210301 [0,0,0,1,0,1|2,0,0]=4 12660 B13R2.32 CC1c2ccccc2CCN1C 34a_100011660714_200000210301 [0,0,0,1,0,1|2,0,0]=4 12661 B13R2.32 CC1c2ccccc2CCN1[13CH3] 2230a_100011660714_200025704644 [0,0,0,1,0,1|2,0,0]=4 12662 B13R2.32 CC1c2ccccc2CCN1[13CH3] 269982a_100011660714_200025704644 [0,0,0,1,0,1|2,0,0]=4 12663 B13R2.32 CC1c2ccccc2CCN1[13CH3] 34a_100011660714_200025704644 [0,0,0,1,0,1|2,0,0]=4 12664 B13R2.33 CN1CCc2ccccc2CC1 2230a_100000044199_200000210301 [0,0,0,1,0,1|2,0,0]=4 12665 B13R2.33 CN1CCc2ccccc2CC1 269982a_100000044199_200000210301 [0,0,0,1,0,1|2,0,0]=4 12666 B13R2.33 CN1CCc2ccccc2CC1 34a_100000044199_200000210301 [0,0,0,1,0,1|2,0,0]=4 12667 B13R2.33 [13CH3]N1CCc2ccccc2CC1 2230a_100000044199_200025704644 [0,0,0,1,0,1|2,0,0]=4 12668 B13R2.33 [13CH3]N1CCc2ccccc2CC1 269982a_100000044199_200025704644 [0,0,0,1,0,1|2,0,0]=4 12669 B13R2.33 [13CH3]N1CCc2ccccc2CC1 34a_100000044199_200025704644 [0,0,0,1,0,1|2,0,0]=4 12670 B13R2.50 CCN1C[C@@H]1Cc2ccccc2 2230a_100016998360_100000210202 [0,0,0,1,0,1|2,0,0]=4 12671 B13R2.50 CCN1C[C@@H]1Cc2ccccc2 269982a_100016998360_100000204670 [0,0,0,1,0,1|2,0,0]=4 12672 B13R2.50 CCN1C[C@@H]1Cc2ccccc2 34a_100016998360_100000210202 [0,0,0,1,0,1|2,0,0]=4 12673 B13R2.52 CNC1CC(C1)c2ccccc2 270004a_106832991635_100000741317 [0,0,0,1,0,1|0,0,0]=2 12674 B13R2.52 CN[C@H]1C[C@H](C1)c2ccccc2 2230a_102125402554_200000210301 [0,0,0,1,0,1|0,0,0]=2 12675 B13R2.52 [13CH3]N[C@H]1C[C@H](C1)c2ccccc2 2230a_102125402554_200025704644 [0,0,0,1,0,1|0,0,0]=2 12676 B13R2.57 CCN1CCc2ccccc2C1 2230a_100000188457_100000210202 [0,0,0,1,0,1|2,0,0]=4 12677 B13R2.57 CCN1CCc2ccccc2C1 269982a_100000188457_100000204670 [0,0,0,1,0,1|2,0,0]=4 12678 B13R2.57 CCN1CCc2ccccc2C1 34a_100000188457_100000210202 [0,0,0,1,0,1|2,0,0]=4 12679 B13R2.57 CNC1CCc2ccccc2C1 2230a_100000748446_200000210301 [0,0,0,1,0,1|0,0,0]=2 12680 B13R2.57 CNC1CCc2ccccc2C1 270004a_106832991635_100000212018 [0,0,0,1,0,1|0,0,0]=2 12681 B13R2.57 CNC1CCc2ccccc2C1 34a_100000748446_200000210301 [0,0,0,1,0,1|0,0,0]=2 12682 B13R2.57 CNC1COc2ccccc2C1 2230a_100000739546_200000210301 [0,0,0,1,0,1|0,0,0]=2 12683 B13R2.57 CNC1COc2ccccc2C1 270004a_106832991635_100000048293 [0,0,0,1,0,1|0,0,0]=2 12684 B13R2.57 COC1CCc2ccccc2C1 34a_100011216300_200000210301 [0,0,0,1,0,1|1,0,0]=3 12685 B13R2.57 COC1CCc2ccccc2C1 7a_100011216300_200000210301 [0,0,0,1,0,1|1,0,0]=3 12686 B13R2.57 COC1Cc2ccccc2CO1 34a_200000095866_200000210301 [0,0,0,1,0,1|1,0,0]=3 12687 B13R2.57 [13CH3]NC1CCc2ccccc2C1 2230a_100000748446_200025704644 [0,0,0,1,0,1|0,0,0]=2 12688 B13R2.57 [13CH3]NC1CCc2ccccc2C1 34a_100000748446_200025704644 [0,0,0,1,0,1|0,0,0]=2 12689 B13R2.57 [13CH3]NC1COc2ccccc2C1 2230a_100000739546_200025704644 [0,0,0,1,0,1|0,0,0]=2 12690 B13R2.57 [13CH3]OC1CCc2ccccc2C1 34a_100011216300_200025704644 [0,0,0,1,0,1|1,0,0]=3 12691 B13R2.57 [13CH3]OC1CCc2ccccc2C1 7a_100011216300_200025704644 [0,0,0,1,0,1|1,0,0]=3 12692 B13R2.57 [13CH3]OC1Cc2ccccc2CO1 34a_200000095866_200025704644 [0,0,0,1,0,1|1,0,0]=3 12693 B13R2.2383 c1cc(ccn1)CNC2CCC2 2230a_100000749019_100015193705 [0,0,0,1,0,1|2,0,0]=4 12694 B13R2.2383 c1cc(ccn1)CSC2CCC2 62a_100015193705_100000749161 [0,0,0,1,0,1|2,0,0]=4 12695 B13R2.2383 c1cc(ccn1)OCC2CCC2 34a_100000212176_100000763275 [0,0,0,1,0,1|2,0,0]=4 12696 B13R2.2383 c1cc(ccn1)OCC2CCO2 34a_100000212176_100000103362 [0,0,0,1,0,1|2,0,0]=4 12697 B13R2.2383 c1cc(ccn1)SCC2CCC2 62a_100000728582_100000763275 [0,0,0,1,0,1|2,0,0]=4 12698 B13R2.2383 c1cc(ccn1)SCC2CCC2 62a_100000763275_100000728582 [0,0,0,1,0,1|2,0,0]=4 12699 B13R2.2383 c1cc(ccn1)SCC2CCO2 62a_100000103362_100000728582 [0,0,0,1,0,1|2,0,0]=4 12700 B13R2.2383 c1cc(ccn1)SCC2CCO2 62a_100000728582_100000103362 [0,0,0,1,0,1|2,0,0]=4 12701 B13R2.2383 c1ccc(cc1)CCN2CCC2 269982a_100000754969_100000765856 [0,0,0,1,0,1|2,0,0]=4 12702 B13R2.2383 c1ccc(cc1)CNC2CCC2 2230a_100000749019_100015291786 [0,0,0,1,0,1|1,0,0]=3 12703 B13R2.2383 c1ccc(cc1)CNC2CCC2 270004a_100015324214_100000241760 [0,0,0,1,0,1|1,0,0]=3 12704 B13R2.2383 c1ccc(cc1)CNC2CCC2 34a_100000749019_100015291786 [0,0,0,1,0,1|1,0,0]=3 12705 B13R2.2383 c1ccc(cc1)CNC2CCC2 34a_100015324214_100000749161 [0,0,0,1,0,1|1,0,0]=3 12706 B13R2.2383 c1ccc(cc1)CNC2COC2 207a_100016991112_100015611070 [0,0,0,1,0,1|2,0,0]=4 12707 B13R2.2383 c1ccc(cc1)CNC2COC2 2230a_100016991112_100015291786 [0,0,0,1,0,1|2,0,0]=4 12708 B13R2.2383 c1ccc(cc1)CNC2COC2 270004a_100016991112_100015611070 [0,0,0,1,0,1|2,0,0]=4 12709 B13R2.2383 c1ccc(cc1)CNC2COC2 34a_100015324214_100009818527 [0,0,0,1,0,1|2,0,0]=4 12710 B13R2.2383 c1ccc(cc1)CNC2CSC2 207a_100016994217_100015611070 [0,0,0,1,0,1|2,0,0]=4 12711 B13R2.2383 c1ccc(cc1)CNC2CSC2 270004a_100016994217_100015611070 [0,0,0,1,0,1|2,0,0]=4 12712 B13R2.2383 c1ccc(cc1)COC2CCC2 34a_100000210790_100000749161 [0,0,0,1,0,1|1,0,0]=3 12713 B13R2.2383 c1ccc(cc1)COC2CCC2 34a_100000748187_100015291786 [0,0,0,1,0,1|1,0,0]=3 12714 B13R2.2383 c1ccc(cc1)COC2COC2 34a_100000210790_100009818527 [0,0,0,1,0,1|2,0,0]=4 12715 B13R2.2383 c1ccc(cc1)COC2COC2 7a_100000210790_100009818527 [0,0,0,1,0,1|2,0,0]=4 12716 B13R2.2383 c1ccc(cc1)COC2CSC2 7a_100000072292_100000211182 [0,0,0,1,0,1|2,0,0]=4 12717 B13R2.2383 c1ccc(cc1)CSC2CCC2 62a_100000211182_100000749161 [0,0,0,1,0,1|1,0,0]=3 12718 B13R2.2383 c1ccc(cc1)CSC2COC2 62a_100000211182_100009818527 [0,0,0,1,0,1|2,0,0]=4 12719 B13R2.2383 c1ccc(cc1)NCC2CCC2 34a_100000106764_100000763275 [0,0,0,1,0,1|1,0,0]=3 12720 B13R2.2383 c1ccc(cc1)NCC2CCO2 34a_100000106764_100000103362 [0,0,0,1,0,1|1,0,0]=3 12721 B13R2.2383 c1ccc(cc1)NCC2COC2 34a_100000106764_100010264016 [0,0,0,1,0,1|2,0,0]=4 12722 B13R2.2383 c1ccc(cc1)OCC2CCC2 34a_100000210340_100000763275 [0,0,0,1,0,1|1,0,0]=3 12723 B13R2.2383 c1ccc(cc1)OCC2CCC2 7a_100000210340_100000763275 [0,0,0,1,0,1|1,0,0]=3 12724 B13R2.2383 c1ccc(cc1)OCC2CCO2 34a_100000210340_100000103362 [0,0,0,1,0,1|1,0,0]=3 12725 B13R2.2383 c1ccc(cc1)OCC2CCO2 7a_100000210340_100000103362 [0,0,0,1,0,1|1,0,0]=3 12726 B13R2.2383 c1ccc(cc1)OCC2COC2 34a_100000210340_100010264016 [0,0,0,1,0,1|2,0,0]=4 12727 B13R2.2383 c1ccc(cc1)OCC2COC2 7a_100000210340_100010264016 [0,0,0,1,0,1|2,0,0]=4 12728 B13R2.2383 c1ccc(cc1)SCC2CCC2 62a_100000719477_100000763275 [0,0,0,1,0,1|1,0,0]=3 12729 B13R2.2383 c1ccc(cc1)SCC2CCC2 62a_100000763275_100000041952 [0,0,0,1,0,1|1,0,0]=3 12730 B13R2.2383 c1ccc(cc1)SCC2CCO2 62a_100000103362_100000041952 [0,0,0,1,0,1|1,0,0]=3 12731 B13R2.2383 c1ccc(cc1)SCC2CCO2 62a_100000719477_100000103362 [0,0,0,1,0,1|1,0,0]=3 12732 B13R2.2383 c1ccc(cc1)SCC2COC2 62a_100000719477_100010264016 [0,0,0,1,0,1|2,0,0]=4 12733 B13R2.2383 c1ccc(cc1)SCC2COC2 62a_100010264016_100000041952 [0,0,0,1,0,1|2,0,0]=4 12734 B13R2.2383 c1ccc(cc1)SCN2CCC2 269982a_100000754969_100011218342 [0,0,0,1,0,1|2,0,0]=4 12735 B13R2.2383 c1ccc(nc1)CNC2CCC2 2230a_100000749019_100000721315 [0,0,0,1,0,1|2,0,0]=4 12736 B13R2.2383 c1ccc(nc1)CNC2CCC2 270004a_100000210449_100000241760 [0,0,0,1,0,1|2,0,0]=4 12737 B13R2.2383 c1ccc(nc1)CNC2CCC2 34a_100000749019_100000721315 [0,0,0,1,0,1|2,0,0]=4 12738 B13R2.2383 c1ccc(nc1)COC2CCC2 34a_100000748187_100000721315 [0,0,0,1,0,1|2,0,0]=4 12739 B13R2.2383 c1ccc(nc1)CSC2CCC2 62a_100000721315_100000749161 [0,0,0,1,0,1|2,0,0]=4 12740 B13R2.2383 c1ccc(nc1)SCC2CCC2 62a_100000763275_100011216584 [0,0,0,1,0,1|2,0,0]=4 12741 B13R2.2383 c1ccc(nc1)SCC2CCC2 62a_100011216584_100000763275 [0,0,0,1,0,1|2,0,0]=4 12742 B13R2.2383 c1ccc(nc1)SCC2CCO2 62a_100000103362_100011216584 [0,0,0,1,0,1|2,0,0]=4 12743 B13R2.2383 c1ccc(nc1)SCC2CCO2 62a_100011216584_100000103362 [0,0,0,1,0,1|2,0,0]=4 12744 B13R2.2383 c1cncc(c1)CNC2CCC2 2230a_100000749019_100000741622 [0,0,0,1,0,1|2,0,0]=4 12745 B13R2.2383 c1cncc(c1)CNC2CCC2 270004a_100000210453_100000241760 [0,0,0,1,0,1|2,0,0]=4 12746 B13R2.2383 c1cncc(c1)CNC2CCC2 34a_100000749019_100000733263 [0,0,0,1,0,1|2,0,0]=4 12747 B13R2.2383 c1cncc(c1)COC2CCC2 34a_100000748187_100000733263 [0,0,0,1,0,1|2,0,0]=4 12748 B13R2.2383 c1cncc(c1)CSC2CCC2 62a_100000741622_100000749161 [0,0,0,1,0,1|2,0,0]=4 12749 B13R2.2383 c1cncc(c1)OCC2CCC2 34a_100000210849_100000763275 [0,0,0,1,0,1|2,0,0]=4 12750 B13R2.2383 c1cncc(c1)OCC2CCC2 7a_100000210849_100000763275 [0,0,0,1,0,1|2,0,0]=4 12751 B13R2.2383 c1cncc(c1)OCC2CCO2 34a_100000210849_100000103362 [0,0,0,1,0,1|2,0,0]=4 12752 B13R2.2383 c1cncc(c1)OCC2CCO2 7a_100000210849_100000103362 [0,0,0,1,0,1|2,0,0]=4 12753 B13R2.2383 c1cncc(c1)SCC2CCC2 62a_100000210063_100000763275 [0,0,0,1,0,1|2,0,0]=4 12754 B13R2.2383 c1cncc(c1)SCC2CCC2 62a_100000763275_100000210063 [0,0,0,1,0,1|2,0,0]=4 12755 B13R2.2383 c1cncc(c1)SCC2CCO2 62a_100000103362_100000210063 [0,0,0,1,0,1|2,0,0]=4 12756 B13R2.2383 c1cncc(c1)SCC2CCO2 62a_100000210063_100000103362 [0,0,0,1,0,1|2,0,0]=4 12757 B13R2.2531 CC1(CCc2c1cccc2)O[13CH3] 34a_100000685031_200025704644 [0,0,0,1,0,1|1,0,0]=3 12758 B13R2.2531 CC1(CCc2c1cccc2)O[13CH3] 7a_100000685031_200025704644 [0,0,0,1,0,1|1,0,0]=3 12759 B13R2.2531 COC1(CCc2c1cccc2)C 34a_100000685031_200000210301 [0,0,0,1,0,1|1,0,0]=3 12760 B13R2.2531 COC1(CCc2c1cccc2)C 7a_100000685031_200000210301 [0,0,0,1,0,1|1,0,0]=3 12761 B13R2.3203 CC1(CC1)NCc2ccccc2 207a_100000757604_100015611070 [0,0,0,1,0,1|1,0,0]=3 12762 B13R2.3203 CC1(CC1)NCc2ccccc2 2230a_100000757604_100015291786 [0,0,0,1,0,1|1,0,0]=3 12763 B13R2.3203 CC1(CC1)NCc2ccccn2 207a_100000757604_100000209966 [0,0,0,1,0,1|2,0,0]=4 12764 B13R2.3203 CC1(CC1)NCc2ccccn2 2230a_100000757604_100000721315 [0,0,0,1,0,1|2,0,0]=4 12765 B13R2.3203 CC1(CC1)NCc2cccnc2 207a_100000757604_100000209961 [0,0,0,1,0,1|2,0,0]=4 12766 B13R2.3203 CC1(CC1)NCc2cccnc2 2230a_100000757604_100000741622 [0,0,0,1,0,1|2,0,0]=4 12767 B13R2.3203 CC1(CC1)NCc2ccncc2 207a_100000757604_100000186114 [0,0,0,1,0,1|2,0,0]=4 12768 B13R2.3203 CC1(CC1)NCc2ccncc2 2230a_100000757604_100015193705 [0,0,0,1,0,1|2,0,0]=4 12769 B13R2.3203 CC1(CC1)OCc2ccccc2 7a_100011725673_100000211182 [0,0,0,1,0,1|1,0,0]=3 12770 B13R2.3203 CC1(CC1)OCc2ccccn2 7a_100011725673_100000721315 [0,0,0,1,0,1|2,0,0]=4 12771 B13R2.3203 CC1(CC1)OCc2cccnc2 7a_100011725673_100000741622 [0,0,0,1,0,1|2,0,0]=4 12772 B13R2.3203 CC1(CC1)OCc2ccncc2 7a_100011725673_100015193705 [0,0,0,1,0,1|2,0,0]=4 12773 B13R2.3203 CC1(CO1)CNc2ccccc2 34a_100000106764_100000760498 [0,0,0,1,0,1|1,0,0]=3 12774 B13R2.3203 CC1(CO1)COc2ccccc2 34a_100000210340_100000760498 [0,0,0,1,0,1|1,0,0]=3 12775 B13R2.3203 CC1(CO1)COc2cccnc2 34a_100000210849_100000760498 [0,0,0,1,0,1|2,0,0]=4 12776 B13R2.3203 CC1(CO1)COc2ccncc2 34a_100000212176_100000760498 [0,0,0,1,0,1|2,0,0]=4 12777 B13R2.3203 CC1(CO1)CSc2ccccc2 62a_100000719477_100000760498 [0,0,0,1,0,1|1,0,0]=3 12778 B13R2.3203 CC1(CO1)CSc2ccccc2 62a_100000760498_100000041952 [0,0,0,1,0,1|1,0,0]=3 12779 B13R2.3203 CC1(CO1)CSc2ccccn2 62a_100000760498_100011216584 [0,0,0,1,0,1|2,0,0]=4 12780 B13R2.3203 CC1(CO1)CSc2ccccn2 62a_100011216584_100000760498 [0,0,0,1,0,1|2,0,0]=4 12781 B13R2.3203 CC1(CO1)CSc2cccnc2 62a_100000210063_100000760498 [0,0,0,1,0,1|2,0,0]=4 12782 B13R2.3203 CC1(CO1)CSc2cccnc2 62a_100000760498_100000210063 [0,0,0,1,0,1|2,0,0]=4 12783 B13R2.3203 CC1(CO1)CSc2ccncc2 62a_100000728582_100000760498 [0,0,0,1,0,1|2,0,0]=4 12784 B13R2.3203 CC1(CO1)CSc2ccncc2 62a_100000760498_100000728582 [0,0,0,1,0,1|2,0,0]=4 12785 B13R2.15272 CCN(C)C1Cc2c1cccc2 269982a_100000225621_100009813401 [0,0,0,1,0,1|2,0,0]=4 12786 B13R2.15272 CNC(=O)C1Cc2c1cccc2 11a_106832991635_200000238571 [0,0,0,1,0,1|1,0,1]=4 12787 B13R2.15272 CNC(=O)C1Cc2c1cccc2 1626a_100102657272_200000238571 [0,0,0,1,0,1|1,0,1]=4 12788 B13R2.15272 CNC(=O)C1Cc2c1cccc2 240690a_100102657272_200000238571 [0,0,0,1,0,1|1,0,1]=4 12789 B13R2.15272 CNC(=O)C1Cc2c1cccc2 527a_100102657272_200000238571 [0,0,0,1,0,1|1,0,1]=4 12790 B13R2.15 CN1CCCC1c2ccccc2 2230a_100000243309_200000210301 [0,1,0,1,0,0|2,0,0]=4 12791 B13R2.15 CN1CCCC1c2ccccc2 269982a_100000243309_200000210301 [0,1,0,1,0,0|2,0,0]=4 12792 B13R2.15 CN1CCCC1c2ccccc2 34a_100000243309_200000210301 [0,1,0,1,0,0|2,0,0]=4 12793 B13R2.15 CN1CCSC1c2ccccc2 2230a_100000215944_200000210301 [0,1,0,1,0,0|2,0,0]=4 12794 B13R2.15 CN1CCSC1c2ccccc2 269982a_100000215944_200000210301 [0,1,0,1,0,0|2,0,0]=4 12795 B13R2.15 CN1CCSC1c2ccccc2 34a_100000215944_200000210301 [0,1,0,1,0,0|2,0,0]=4 12796 B13R2.15 CN1CCSC1c2ccccc2 7a_100000215944_200000210301 [0,1,0,1,0,0|2,0,0]=4 12797 B13R2.15 [13CH3]N1CCCC1c2ccccc2 2230a_100000243309_200025704644 [0,1,0,1,0,0|2,0,0]=4 12798 B13R2.15 [13CH3]N1CCCC1c2ccccc2 269982a_100000243309_200025704644 [0,1,0,1,0,0|2,0,0]=4 12799 B13R2.15 [13CH3]N1CCCC1c2ccccc2 34a_100000243309_200025704644 [0,1,0,1,0,0|2,0,0]=4 12800 B13R2.15 [13CH3]N1CCSC1c2ccccc2 2230a_100000215944_200025704644 [0,1,0,1,0,0|2,0,0]=4 12801 B13R2.15 [13CH3]N1CCSC1c2ccccc2 269982a_100000215944_200025704644 [0,1,0,1,0,0|2,0,0]=4 12802 B13R2.15 [13CH3]N1CCSC1c2ccccc2 34a_100000215944_200025704644 [0,1,0,1,0,0|2,0,0]=4 12803 B13R2.15 [13CH3]N1CCSC1c2ccccc2 7a_100000215944_200025704644 [0,1,0,1,0,0|2,0,0]=4 12804 B13R2.25 CCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000210202 [0,1,0,1,0,0|0,0,0]=2 12805 B13R2.25 CCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000210202 [0,1,0,1,0,0|0,0,0]=2 12806 B13R2.25 COCC1CC1c2ccccc2 34a_100011997005_200000210301 [0,1,0,1,0,0|1,0,0]=3 12807 B13R2.25 COCC1CC1c2ccccc2 7a_100011997005_200000210301 [0,1,0,1,0,0|1,0,0]=3 12808 B13R2.25 COCC1OC1c2ccccc2 34a_100000032844_200000210301 [0,1,0,1,0,0|2,0,0]=4 12809 B13R2.25 COCC1OC1c2ccccc2 7a_100000032844_200000210301 [0,1,0,1,0,0|2,0,0]=4 12810 B13R2.25 FCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100015361967 [0,1,0,1,0,0|0,0,0]=2 12811 B13R2.25 [13CH3]OCC1CC1c2ccccc2 34a_100011997005_200025704644 [0,1,0,1,0,0|1,0,0]=3 12812 B13R2.25 [13CH3]OCC1CC1c2ccccc2 7a_100011997005_200025704644 [0,1,0,1,0,0|1,0,0]=3 12813 B13R2.25 [13CH3]OCC1OC1c2ccccc2 34a_100000032844_200025704644 [0,1,0,1,0,0|2,0,0]=4 12814 B13R2.25 [13CH3]OCC1OC1c2ccccc2 7a_100000032844_200025704644 [0,1,0,1,0,0|2,0,0]=4 12815 B13R2.26 CCCN1Cc2ccccc2C1 2230a_100000752595_100000210303 [0,1,0,1,0,0|2,0,0]=4 12816 B13R2.26 CCCN1Cc2ccccc2C1 269982a_100000752595_100000210303 [0,1,0,1,0,0|2,0,0]=4 12817 B13R2.26 CCCN1Cc2ccccc2C1 34a_100000752595_100000210303 [0,1,0,1,0,0|2,0,0]=4 12818 B13R2.26 CCNC1Cc2ccccc2C1 2230a_100000753258_100000210202 [0,1,0,1,0,0|0,0,0]=2 12819 B13R2.26 CCNC1Cc2ccccc2C1 34a_100000753258_100000210202 [0,1,0,1,0,0|0,0,0]=2 12820 B13R2.26 CCOC1Cc2ccccc2C1 34a_100011215286_100000210202 [0,1,0,1,0,0|1,0,0]=3 12821 B13R2.26 CCOC1Cc2ccccc2C1 34a_100121572206_100000753484 [0,1,0,1,0,0|1,0,0]=3 12822 B13R2.26 CCSC1Cc2ccccc2C1 62a_100000210202_100000753484 [0,1,0,1,0,0|1,0,0]=3 12823 B13R2.26 CNCC1Cc2ccccc2C1 2230a_100000757167_200000210301 [0,1,0,1,0,0|0,0,0]=2 12824 B13R2.26 CNCC1Cc2ccccc2C1 34a_100000757167_200000210301 [0,1,0,1,0,0|0,0,0]=2 12825 B13R2.26 CNCC1Cc2ccccc2O1 2230a_100015207006_200000210301 [0,1,0,1,0,0|1,0,0]=3 12826 B13R2.26 CNCC1Cc2ccccc2O1 34a_100015207006_200000210301 [0,1,0,1,0,0|1,0,0]=3 12827 B13R2.26 COCC1Cc2ccccc2C1 34a_100000720471_200000210301 [0,1,0,1,0,0|1,0,0]=3 12828 B13R2.26 COCC1Cc2ccccc2O1 34a_100011273944_200000210301 [0,1,0,1,0,0|2,0,0]=4 12829 B13R2.26 COCN1Cc2ccccc2C1 2230a_100000752595_100000766300 [0,1,0,1,0,0|2,0,0]=4 12830 B13R2.26 COCN1Cc2ccccc2C1 269982a_100000752595_100000766300 [0,1,0,1,0,0|2,0,0]=4 12831 B13R2.26 COC[C@@H]1Cc2ccccc2N1 34a_100011830367_200000210301 [0,1,0,1,0,0|2,0,0]=4 12832 B13R2.26 CSCN1Cc2ccccc2C1 2230a_100000752595_100011218213 [0,1,0,1,0,0|2,0,0]=4 12833 B13R2.26 CSCN1Cc2ccccc2C1 269982a_100000752595_100011218213 [0,1,0,1,0,0|2,0,0]=4 12834 B13R2.26 CSCN1Cc2ccccc2C1 34a_100000752595_100011218213 [0,1,0,1,0,0|2,0,0]=4 12835 B13R2.26 FCCN1Cc2ccccc2C1 2230a_100000752595_100011217306 [0,1,0,1,0,0|2,0,0]=4 12836 B13R2.26 FCCN1Cc2ccccc2C1 269982a_100000752595_100011217306 [0,1,0,1,0,0|2,0,0]=4 12837 B13R2.26 FCCN1Cc2ccccc2C1 34a_100000752595_100011217306 [0,1,0,1,0,0|2,0,0]=4 12838 B13R2.26 FCNC1Cc2ccccc2C1 34a_100000753258_100015361967 [0,1,0,1,0,0|0,0,0]=2 12839 B13R2.26 FCOC1Cc2ccccc2C1 34a_100011215286_100015361967 [0,1,0,1,0,0|1,0,0]=3 12840 B13R2.26 FCSC1Cc2ccccc2C1 62a_100015361967_100000753484 [0,1,0,1,0,0|1,0,0]=3 12841 B13R2.26 OCCN1Cc2ccccc2C1 2230a_100000752595_100000211926 [0,1,0,1,0,0|2,0,0]=4 12842 B13R2.26 OCCN1Cc2ccccc2C1 269982a_100000752595_100000211926 [0,1,0,1,0,0|2,0,0]=4 12843 B13R2.26 OCCN1Cc2ccccc2C1 34a_100000752595_100000211926 [0,1,0,1,0,0|2,0,0]=4 12844 B13R2.26 [13CH3]NCC1Cc2ccccc2C1 2230a_100000757167_200025704644 [0,1,0,1,0,0|0,0,0]=2 12845 B13R2.26 [13CH3]NCC1Cc2ccccc2C1 34a_100000757167_200025704644 [0,1,0,1,0,0|0,0,0]=2 12846 B13R2.26 [13CH3]NCC1Cc2ccccc2O1 2230a_100015207006_200025704644 [0,1,0,1,0,0|1,0,0]=3 12847 B13R2.26 [13CH3]NCC1Cc2ccccc2O1 34a_100015207006_200025704644 [0,1,0,1,0,0|1,0,0]=3 12848 B13R2.26 [13CH3]OCC1Cc2ccccc2C1 34a_100000720471_200025704644 [0,1,0,1,0,0|1,0,0]=3 12849 B13R2.26 [13CH3]OCC1Cc2ccccc2O1 34a_100011273944_200025704644 [0,1,0,1,0,0|2,0,0]=4 12850 B13R2.26 [13CH3]OC[C@@H]1Cc2ccccc2N1 34a_100011830367_200025704644 [0,1,0,1,0,0|2,0,0]=4 12851 B13R2.31 CC1CN(C1)Cc2ccccc2 2230a_100000702820_100015291786 [0,1,0,1,0,0|2,0,0]=4 12852 B13R2.31 CC1CN(C1)Cc2ccccc2 269982a_100000702820_100000211182 [0,1,0,1,0,0|2,0,0]=4 12853 B13R2.31 CC1CN(C1)Cc2ccccc2 270004a_100000702820_100015611070 [0,1,0,1,0,0|2,0,0]=4 12854 B13R2.31 CC1CN(C1)Cc2ccccc2 34a_100000702820_100015291786 [0,1,0,1,0,0|2,0,0]=4 12855 B13R2.31 CN1CC(C1)Oc2ccccc2 269982a_100000751016_200000210301 [0,1,0,1,0,0|1,0,0]=3 12856 B13R2.31 CN1CC(C1)Oc2ccccn2 269982a_100132309326_200000210301 [0,1,0,1,0,0|2,0,0]=4 12857 B13R2.31 FC1CN(C1)Cc2ccccc2 2230a_100000690557_100015291786 [0,1,0,1,0,0|2,0,0]=4 12858 B13R2.31 FC1CN(C1)Cc2ccccc2 269982a_100000690557_100000211182 [0,1,0,1,0,0|2,0,0]=4 12859 B13R2.31 FC1CN(C1)Cc2ccccc2 270004a_100000690557_100015611070 [0,1,0,1,0,0|2,0,0]=4 12860 B13R2.31 FC1CN(C1)Cc2ccccc2 34a_100000690557_100015291786 [0,1,0,1,0,0|2,0,0]=4 12861 B13R2.31 OC1CN(C1)Cc2ccccc2 269982a_100000749847_100000211182 [0,1,0,1,0,0|2,0,0]=4 12862 B13R2.31 [13CH3]N1CC(C1)Oc2ccccc2 269982a_100000751016_200025704644 [0,1,0,1,0,0|1,0,0]=3 12863 B13R2.31 [13CH3]N1CC(C1)Oc2ccccn2 269982a_100132309326_200025704644 [0,1,0,1,0,0|2,0,0]=4 12864 B13R2.64 c1ccc(cc1)CN2CCCC2 2230a_100000188435_100015291786 [0,1,0,1,0,0|2,0,0]=4 12865 B13R2.64 c1ccc(cc1)CN2CCCC2 269982a_100000188435_100000211182 [0,1,0,1,0,0|2,0,0]=4 12866 B13R2.64 c1ccc(cc1)CN2CCCC2 270004a_100000188435_100015611070 [0,1,0,1,0,0|2,0,0]=4 12867 B13R2.64 c1ccc(cc1)CN2CCSC2 2230a_100011215254_100015291786 [0,1,0,1,0,0|2,0,0]=4 12868 B13R2.64 c1ccc(cc1)CN2CCSC2 269982a_100011215254_100000211182 [0,1,0,1,0,0|2,0,0]=4 12869 B13R2.64 c1ccc(cc1)CN2CCSC2 270004a_100011215254_100015611070 [0,1,0,1,0,0|2,0,0]=4 12870 B13R2.64 c1ccc(cc1)NC2CCCC2 34a_100000106764_100000179811 [0,1,0,1,0,0|2,0,0]=4 12871 B13R2.64 c1ccc(cc1)NC2CCOC2 34a_100000106764_100000690089 [0,1,0,1,0,0|2,0,0]=4 12872 B13R2.64 c1ccc(cc1)OC2CCCC2 34a_100000210340_100000179811 [0,1,0,1,0,0|2,0,0]=4 12873 B13R2.64 c1ccc(cc1)OC2CCCC2 7a_100000210340_100000179811 [0,1,0,1,0,0|2,0,0]=4 12874 B13R2.64 c1ccc(cc1)OC2CCOC2 34a_100000210340_100000690089 [0,1,0,1,0,0|2,0,0]=4 12875 B13R2.64 c1ccc(cc1)OC2CCOC2 7a_100000210340_100000731011 [0,1,0,1,0,0|2,0,0]=4 12876 B13R2.64 c1ccc(cc1)SC2CCCC2 62a_100000719477_100000179811 [0,1,0,1,0,0|2,0,0]=4 12877 B13R2.64 c1ccc(cc1)SC2CCCC2 62a_100011217020_100000041952 [0,1,0,1,0,0|2,0,0]=4 12878 B13R2.64 c1ccc(cc1)SC2CCOC2 62a_100000719477_100000690089 [0,1,0,1,0,0|2,0,0]=4 12879 B13R2.135 CN[C@H]1c2ccccc2C[C@H]1O 2230a_100000744645_200000210301 [0,1,0,1,0,0|1,0,0]=3 12880 B13R2.135 [13CH3]N[C@H]1c2ccccc2C[C@H]1O 2230a_100000744645_200025704644 [0,1,0,1,0,0|1,0,0]=3 12881 B13R2.163 CN1CCCc2ccccc2C1 2230a_100000059810_200000210301 [0,1,0,1,0,0|2,0,0]=4 12882 B13R2.163 CN1CCCc2ccccc2C1 269982a_100000059810_200000210301 [0,1,0,1,0,0|2,0,0]=4 12883 B13R2.163 CN1CCCc2ccccc2C1 34a_100000059810_200000210301 [0,1,0,1,0,0|2,0,0]=4 12884 B13R2.163 CN1CCOc2ccccc2C1 2230a_100000744108_200000210301 [0,1,0,1,0,0|2,0,0]=4 12885 B13R2.163 CN1CCOc2ccccc2C1 269982a_100000744108_200000210301 [0,1,0,1,0,0|2,0,0]=4 12886 B13R2.163 CN1CCOc2ccccc2C1 34a_100000744108_200000210301 [0,1,0,1,0,0|2,0,0]=4 12887 B13R2.163 [13CH3]N1CCCc2ccccc2C1 2230a_100000059810_200025704644 [0,1,0,1,0,0|2,0,0]=4 12888 B13R2.163 [13CH3]N1CCCc2ccccc2C1 269982a_100000059810_200025704644 [0,1,0,1,0,0|2,0,0]=4 12889 B13R2.163 [13CH3]N1CCCc2ccccc2C1 34a_100000059810_200025704644 [0,1,0,1,0,0|2,0,0]=4 12890 B13R2.163 [13CH3]N1CCOc2ccccc2C1 2230a_100000744108_200025704644 [0,1,0,1,0,0|2,0,0]=4 12891 B13R2.163 [13CH3]N1CCOc2ccccc2C1 269982a_100000744108_200025704644 [0,1,0,1,0,0|2,0,0]=4 12892 B13R2.163 [13CH3]N1CCOc2ccccc2C1 34a_100000744108_200025704644 [0,1,0,1,0,0|2,0,0]=4 12893 B13R2.328 CC1CN(Cc2c1cccc2)C 2230a_100015190047_200000210301 [0,1,0,1,0,0|2,0,0]=4 12894 B13R2.328 CC1CN(Cc2c1cccc2)C 269982a_100015190047_200000210301 [0,1,0,1,0,0|2,0,0]=4 12895 B13R2.328 CC1CN(Cc2c1cccc2)C 34a_100015190047_200000210301 [0,1,0,1,0,0|2,0,0]=4 12896 B13R2.328 CC1CN(Cc2c1cccc2)[13CH3] 2230a_100015190047_200025704644 [0,1,0,1,0,0|2,0,0]=4 12897 B13R2.328 CC1CN(Cc2c1cccc2)[13CH3] 269982a_100015190047_200025704644 [0,1,0,1,0,0|2,0,0]=4 12898 B13R2.328 CC1CN(Cc2c1cccc2)[13CH3] 34a_100015190047_200025704644 [0,1,0,1,0,0|2,0,0]=4 12899 B13R2.444 CN(Cc1ccccc1)C2CC2 2230a_100000226674_100015291786 [0,1,0,1,0,0|2,0,0]=4 12900 B13R2.444 CN(Cc1ccccc1)C2CC2 2230a_100000759432_200000210301 [0,1,0,1,0,0|2,0,0]=4 12901 B13R2.444 CN(Cc1ccccc1)C2CC2 269982a_100000186898_100000211595 [0,1,0,1,0,0|2,0,0]=4 12902 B13R2.444 CN(Cc1ccccc1)C2CC2 269982a_100000226674_100000211182 [0,1,0,1,0,0|2,0,0]=4 12903 B13R2.444 CN(Cc1ccccc1)C2CC2 269982a_100000759432_200000210301 [0,1,0,1,0,0|2,0,0]=4 12904 B13R2.444 CN(Cc1ccccc1)C2CC2 270004a_100000226674_100015611070 [0,1,0,1,0,0|2,0,0]=4 12905 B13R2.444 CN(Cc1ccccc1)C2CC2 34a_100000759432_200000210301 [0,1,0,1,0,0|2,0,0]=4 12906 B13R2.444 [13CH3]N(Cc1ccccc1)C2CC2 2230a_100000759432_200025704644 [0,1,0,1,0,0|2,0,0]=4 12907 B13R2.444 [13CH3]N(Cc1ccccc1)C2CC2 269982a_100000759432_200025704644 [0,1,0,1,0,0|2,0,0]=4 12908 B13R2.444 [13CH3]N(Cc1ccccc1)C2CC2 34a_100000759432_200025704644 [0,1,0,1,0,0|2,0,0]=4 12909 B13R2.45 CNC1Cc2ccccc2C1O 2230a_106832991635_100000211646 [0,1,0,1,0,0|0,0,0]=2 12910 B13R2.45 CNC1Cc2ccccc2C1O 34a_100102657272_100000211646 [0,1,0,1,0,0|0,0,0]=2 12911 B13R2.45 CNc1nc2ccccc2n1C 27a_100102657272_200000239431 [0,1,0,1,0,0|1,0,1]=4 12912 B13R2.45 COC1Cc2ccccc2C1O 34a_100138415774_100000211646 [0,1,0,1,0,0|1,0,0]=3 12913 B13R2.45 COc1cc2ccccc2n1C 34a_100000066695_200000210301 [0,1,0,1,0,0|0,0,2]=4 12914 B13R2.45 CSC1Cc2ccccc2C1=O 62a_100011218503_200000210301 [0,1,0,1,0,0|1,0,1]=4 12915 B13R2.45 CSC1Cc2ccccc2C1=O 62a_200000210301_100011218503 [0,1,0,1,0,0|1,0,1]=4 12916 B13R2.45 CSC1Cc2ccccc2C1O 62a_100000211646_200000210301 [0,1,0,1,0,0|1,0,0]=3 12917 B13R2.45 CSC1Cc2ccccc2C1O 62a_200000210301_100000211646 [0,1,0,1,0,0|1,0,0]=3 12918 B13R2.45 CSc1nc2ccccc2n1C 62a_200000210301_200000239431 [0,1,0,1,0,0|1,0,1]=4 12919 B13R2.45 CSc1nc2ccccc2n1C 62a_200000239431_200000210301 [0,1,0,1,0,0|1,0,1]=4 12920 B13R2.45 Cn1c(cc2c1cccc2)O[13CH3] 34a_100000066695_200025704644 [0,1,0,1,0,0|0,0,2]=4 12921 B13R2.45 Cn1c(nc2c1cccc2)S[13CH3] 62a_200000239431_200025704644 [0,1,0,1,0,0|1,0,1]=4 12922 B13R2.45 Cn1c(nc2c1cccc2)S[13CH3] 62a_200025704644_200000239431 [0,1,0,1,0,0|1,0,1]=4 12923 B13R2.45 [13CH3]SC1Cc2ccccc2C1=O 62a_100011218503_200025704644 [0,1,0,1,0,0|1,0,1]=4 12924 B13R2.45 [13CH3]SC1Cc2ccccc2C1=O 62a_200025704644_100011218503 [0,1,0,1,0,0|1,0,1]=4 12925 B13R2.45 [13CH3]SC1Cc2ccccc2C1O 62a_100000211646_200025704644 [0,1,0,1,0,0|1,0,0]=3 12926 B13R2.45 [13CH3]SC1Cc2ccccc2C1O 62a_200025704644_100000211646 [0,1,0,1,0,0|1,0,0]=3 12927 B13R2.56 CCN1CCC1c2ccccc2 2230a_100000739605_100000210202 [0,1,0,1,0,0|2,0,0]=4 12928 B13R2.56 CCN1CCC1c2ccccc2 269982a_100000739605_100000204670 [0,1,0,1,0,0|2,0,0]=4 12929 B13R2.56 FCN1CCC1c2ccccc2 269982a_100000739605_100015361967 [0,1,0,1,0,0|2,0,0]=4 12930 B13R2.8137 CC(c1ccccc1)N2CCC2 269982a_100000754969_100000230085 [0,1,0,1,0,0|2,0,0]=4 12931 B13R2.8137 CN(c1ccccc1)C2CCC2 269982a_100000210012_100000749161 [0,1,0,1,0,0|2,0,0]=4 12932 B13R2.8137 CN(c1ccccc1)C2CCC2 34a_100000210012_100000749161 [0,1,0,1,0,0|2,0,0]=4 12933 B13R2.8137 O=C(c1ccccc1)C2CCC2 1458a_100000185807_100000749161 [0,1,0,1,0,0|1,0,1]=4 12934 B13R2.423 CC(=O)C1CC1c2cccnc2 1458a_100000746292_200000210301 [0,1,0,1,0,0|2,0,0]=4 12935 B13R2.423 CC(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_200000210301 [0,1,0,1,0,0|1,0,0]=3 12936 B13R2.423 [13CH3]C(=O)C1CC1c2cccnc2 1458a_100000746292_200025704644 [0,1,0,1,0,0|2,0,0]=4 12937 B13R2.423 [13CH3]C(=O)[C@@H]1C[C@H]1c2ccccc2 1458a_100009815801_200025704644 [0,1,0,1,0,0|1,0,0]=3 12938 B13R2.435 CC(=O)C1Cc2ccccc2C1 1458a_100000070787_100000753484 [0,1,0,1,0,0|1,0,0]=3 12939 B13R2.435 CC(=O)C1Cc2ccccc2C1 1458a_100000685393_200000210301 [0,1,0,1,0,0|1,0,0]=3 12940 B13R2.435 CC(=O)C1Cc2ccccc2O1 1458a_100000209886_200000210301 [0,1,0,1,0,0|2,0,0]=4 12941 B13R2.435 CC(=O)C1Cc2ccccc2S1 1458a_100000024912_200000210301 [0,1,0,1,0,0|2,0,0]=4 12942 B13R2.435 CC(=O)N1Cc2ccccc2C1 11a_100000752595_100015343762 [0,1,0,1,0,0|2,0,0]=4 12943 B13R2.435 CC(=O)N1Cc2ccccc2C1 1626a_100000752595_100015343762 [0,1,0,1,0,0|2,0,0]=4 12944 B13R2.435 CC(=O)N1Cc2ccccc2C1 240690a_100000752595_100015343762 [0,1,0,1,0,0|2,0,0]=4 12945 B13R2.435 CC(=O)N1Cc2ccccc2C1 527a_100000752595_100103153847 [0,1,0,1,0,0|2,0,0]=4 12946 B13R2.435 CC(C)N1Cc2ccccc2C1 2230a_100000752595_100000210206 [0,1,0,1,0,0|2,0,0]=4 12947 B13R2.435 CC(C)N1Cc2ccccc2C1 269982a_100000752595_100000210206 [0,1,0,1,0,0|2,0,0]=4 12948 B13R2.435 CC(C)N1Cc2ccccc2C1 34a_100000752595_100000210206 [0,1,0,1,0,0|2,0,0]=4 12949 B13R2.435 CN(C)C1Cc2ccccc2C1 2230a_100016990990_200000210301 [0,1,0,1,0,0|0,0,0]=2 12950 B13R2.435 CN(C)C1Cc2ccccc2C1 269982a_100016990990_200000210301 [0,1,0,1,0,0|0,0,0]=2 12951 B13R2.435 CN(C)C1Cc2ccccc2C1 269982a_100102631434_100000753484 [0,1,0,1,0,0|0,0,0]=2 12952 B13R2.435 CN(C)C1Cc2ccccc2C1 34a_100016990990_200000210301 [0,1,0,1,0,0|0,0,0]=2 12953 B13R2.435 CN([13CH3])C1Cc2ccccc2C1 2230a_100016990990_200025704644 [0,1,0,1,0,0|0,0,0]=2 12954 B13R2.435 CN([13CH3])C1Cc2ccccc2C1 269982a_100016990990_200025704644 [0,1,0,1,0,0|0,0,0]=2 12955 B13R2.435 CN([13CH3])C1Cc2ccccc2C1 34a_100016990990_200025704644 [0,1,0,1,0,0|0,0,0]=2 12956 B13R2.435 [13CH3]C(=O)C1Cc2ccccc2C1 1458a_100000685393_200025704644 [0,1,0,1,0,0|1,0,0]=3 12957 B13R2.435 [13CH3]C(=O)C1Cc2ccccc2O1 1458a_100000209886_200025704644 [0,1,0,1,0,0|2,0,0]=4 12958 B13R2.435 [13CH3]C(=O)C1Cc2ccccc2S1 1458a_100000024912_200025704644 [0,1,0,1,0,0|2,0,0]=4 12959 B13R2.42 CNC1CC1c2ccc(cc2)Br 2230a_100000755575_200000210301 [0,1,0,1,0,0|0,0,0]=2 12960 B13R2.42 CNC1CC1c2ccc(cc2)Br 34a_100000755575_200000210301 [0,1,0,1,0,0|0,0,0]=2 12961 B13R2.42 CN[C@@H]1C[C@H]1c2ccc(cc2)F 2230a_100025713227_200000210301 [0,1,0,1,0,0|0,0,0]=2 12962 B13R2.42 CN[C@@H]1C[C@H]1c2ccc(cc2)F 34a_100025713227_200000210301 [0,1,0,1,0,0|0,0,0]=2 12963 B13R2.42 [13CH3]NC1CC1c2ccc(cc2)Br 2230a_100000755575_200025704644 [0,1,0,1,0,0|0,0,0]=2 12964 B13R2.42 [13CH3]NC1CC1c2ccc(cc2)Br 34a_100000755575_200025704644 [0,1,0,1,0,0|0,0,0]=2 12965 B13R2.42 [13CH3]N[C@@H]1C[C@H]1c2ccc(cc2)F 2230a_100025713227_200025704644 [0,1,0,1,0,0|0,0,0]=2 12966 B13R2.42 [13CH3]N[C@@H]1C[C@H]1c2ccc(cc2)F 34a_100025713227_200025704644 [0,1,0,1,0,0|0,0,0]=2 12967 B13R2.43 CCN1Cc2ccc(cc2C1)Br 2230a_100000702344_100000210202 [0,1,0,1,0,0|2,0,0]=4 12968 B13R2.43 CCN1Cc2ccc(cc2C1)Br 269982a_100000702344_100000204670 [0,1,0,1,0,0|2,0,0]=4 12969 B13R2.43 CCN1Cc2ccc(cc2C1)Br 34a_100000702344_100000210202 [0,1,0,1,0,0|2,0,0]=4 12970 B13R2.43 CCN1Cc2ccc(cc2C1)Cl 2230a_100015205306_100000210202 [0,1,0,1,0,0|2,0,0]=4 12971 B13R2.43 CCN1Cc2ccc(cc2C1)Cl 269982a_100015205306_100000204670 [0,1,0,1,0,0|2,0,0]=4 12972 B13R2.43 CCN1Cc2ccc(cc2C1)Cl 34a_100015205306_100000210202 [0,1,0,1,0,0|2,0,0]=4 12973 B13R2.43 CCN1Cc2ccc(cc2C1)F 2230a_100000766377_100000210202 [0,1,0,1,0,0|2,0,0]=4 12974 B13R2.43 CCN1Cc2ccc(cc2C1)F 269982a_100000766377_100000204670 [0,1,0,1,0,0|2,0,0]=4 12975 B13R2.43 CCN1Cc2ccc(cc2C1)F 34a_100000766377_100000210202 [0,1,0,1,0,0|2,0,0]=4 12976 B13R2.43 CCN1Cc2ccc(cc2C1)O 2230a_100015195982_100000210202 [0,1,0,1,0,0|2,0,0]=4 12977 B13R2.43 CCN1Cc2ccc(cc2C1)O 269982a_100015195982_100000204670 [0,1,0,1,0,0|2,0,0]=4 12978 B13R2.43 CCN1Cc2ccc(cc2C1)O 34a_100015195982_100000210202 [0,1,0,1,0,0|2,0,0]=4 12979 B13R2.43 CNC1Cc2ccc(cc2C1)Br 2230a_100015193702_200000210301 [0,1,0,1,0,0|0,0,0]=2 12980 B13R2.43 CNC1Cc2ccc(cc2C1)Br 270004a_106832991635_100010185598 [0,1,0,1,0,0|0,0,0]=2 12981 B13R2.43 CNC1Cc2ccc(cc2C1)Br 34a_100015193702_200000210301 [0,1,0,1,0,0|0,0,0]=2 12982 B13R2.43 CNC1Cc2ccc(cc2C1)I 2230a_100015191792_200000210301 [0,1,0,1,0,0|0,0,0]=2 12983 B13R2.43 COC1Cc2ccc(cc2C1)Br 34a_100010161096_200000210301 [0,1,0,1,0,0|1,0,0]=3 12984 B13R2.43 [13CH3]NC1Cc2ccc(cc2C1)Br 2230a_100015193702_200025704644 [0,1,0,1,0,0|0,0,0]=2 12985 B13R2.43 [13CH3]NC1Cc2ccc(cc2C1)Br 34a_100015193702_200025704644 [0,1,0,1,0,0|0,0,0]=2 12986 B13R2.43 [13CH3]NC1Cc2ccc(cc2C1)I 2230a_100015191792_200025704644 [0,1,0,1,0,0|0,0,0]=2 12987 B13R2.43 [13CH3]OC1Cc2ccc(cc2C1)Br 34a_100010161096_200025704644 [0,1,0,1,0,0|1,0,0]=3 12988 B13R2.1069 Brc1ccc(cc1)CN2CCC2 269982a_100000754969_100011217064 [0,1,0,1,0,0|2,0,0]=4 12989 B13R2.1069 Brc1ccc(cc1)CN2CCC2 26a_100000754969_100000185759 [0,1,0,1,0,0|2,0,0]=4 12990 B13R2.1069 Brc1ccc(cc1)NC2CCC2 34a_100000210018_100000749161 [0,1,0,1,0,0|2,0,0]=4 12991 B13R2.1069 Brc1ccc(cc1)OC2CCC2 34a_100000185759_100000749161 [0,1,0,1,0,0|2,0,0]=4 12992 B13R2.1069 Brc1ccc(cc1)SC2CCC2 62a_100000752885_100000749161 [0,1,0,1,0,0|2,0,0]=4 12993 B13R2.1069 Cc1ccc(cc1)CN2CCC2 269982a_100000754969_100000210814 [0,1,0,1,0,0|2,0,0]=4 12994 B13R2.1069 Cc1ccc(cc1)CN2CCC2 26a_100000754969_200020625495 [0,1,0,1,0,0|2,0,0]=4 12995 B13R2.1069 Cc1ccc(cc1)NC2CCC2 34a_100000124888_100000749161 [0,1,0,1,0,0|2,0,0]=4 12996 B13R2.1069 Cc1ccc(cc1)OC2CCC2 34a_100000210336_100000749161 [0,1,0,1,0,0|2,0,0]=4 12997 B13R2.1069 Cc1ccc(cc1)SC2CCC2 62a_100000186775_100000749161 [0,1,0,1,0,0|2,0,0]=4 12998 B13R2.1069 Clc1ccc(cc1)CN2CCC2 269982a_100000754969_100000187161 [0,1,0,1,0,0|2,0,0]=4 12999 B13R2.1069 Clc1ccc(cc1)NC2CCC2 34a_100000210052_100000749161 [0,1,0,1,0,0|2,0,0]=4 13000 B13R2.1069 Clc1ccc(cc1)OC2CCC2 34a_100000210216_100000749161 [0,1,0,1,0,0|2,0,0]=4 13001 B13R2.1069 Clc1ccc(cc1)SC2CCC2 62a_100000755918_100000749161 [0,1,0,1,0,0|2,0,0]=4 13002 B13R2.1069 Fc1ccc(cc1)CN2CCC2 269982a_100000754969_100000198546 [0,1,0,1,0,0|2,0,0]=4 13003 B13R2.1069 Fc1ccc(cc1)NC2CCC2 34a_100000185862_100000749161 [0,1,0,1,0,0|2,0,0]=4 13004 B13R2.1069 Fc1ccc(cc1)OC2CCC2 34a_100000210339_100000749161 [0,1,0,1,0,0|2,0,0]=4 13005 B13R2.1069 Fc1ccc(cc1)SC2CCC2 62a_100000211213_100000749161 [0,1,0,1,0,0|2,0,0]=4 13006 B13R2.1069 Ic1ccc(cc1)CN2CCC2 269982a_100000754969_100000189116 [0,1,0,1,0,0|2,0,0]=4 13007 B13R2.1069 Ic1ccc(cc1)NC2CCC2 34a_100000185761_100000749161 [0,1,0,1,0,0|2,0,0]=4 13008 B13R2.1069 Ic1ccc(cc1)OC2CCC2 34a_100000212066_100000749161 [0,1,0,1,0,0|2,0,0]=4 13009 B13R2.1069 Nc1ccc(cc1)OC2CCC2 34a_100000185829_100000749161 [0,1,0,1,0,0|2,0,0]=4 13010 B13R2.1069 Nc1ccc(cc1)SC2CCC2 62a_100000185761_100000749161 [0,1,0,1,0,0|2,0,0]=4 13011 B13R2.1069 Oc1ccc(cc1)NC2CCC2 34a_100000185829_100000749161 [0,1,0,1,0,0|2,0,0]=4 13012 B13R2.3028 CC1Cc2ccc(cc2C1=O)O 271570a_203496583355_100000694082 [0,1,0,1,0,0|2,0,0]=4 13013 B13R2.3028 CN1C(=O)Cc2c1cc(cc2)O 271570a_203496583355_100010285470 [0,1,0,1,0,0|1,0,1]=4 13014 B13R2.3028 Cc1nc2ccc(cc2n1C)O 271570a_203496583355_200010218347 [0,1,0,1,0,0|1,0,1]=4 13015 B13R2.3683 CC1CCc2cc(ccc2N1)O 271570a_203496583355_100010333662 [0,1,0,1,0,0|2,0,0]=4 13016 B13R2.3683 CC1Cc2ccc(cc2CN1)O 271570a_203496583355_200000706634 [0,1,0,1,0,0|0,0,0]=2 13017 B13R2.3683 CN1CCc2cc(ccc2C1)Br 2230a_100000686056_200000210301 [0,1,0,1,0,0|2,0,0]=4 13018 B13R2.3683 CN1CCc2cc(ccc2C1)Br 269982a_100000686056_200000210301 [0,1,0,1,0,0|2,0,0]=4 13019 B13R2.3683 CN1CCc2cc(ccc2C1)Br 34a_100000686056_200000210301 [0,1,0,1,0,0|2,0,0]=4 13020 B13R2.3683 CN1CCc2cc(ccc2C1)Cl 2230a_100011273784_200000210301 [0,1,0,1,0,0|2,0,0]=4 13021 B13R2.3683 CN1CCc2cc(ccc2C1)Cl 269982a_100011273784_200000210301 [0,1,0,1,0,0|2,0,0]=4 13022 B13R2.3683 CN1CCc2cc(ccc2C1)Cl 34a_100011273784_200000210301 [0,1,0,1,0,0|2,0,0]=4 13023 B13R2.3683 CN1CCc2cc(ccc2C1)F 2230a_100011273785_200000210301 [0,1,0,1,0,0|2,0,0]=4 13024 B13R2.3683 CN1CCc2cc(ccc2C1)F 269982a_100011273785_200000210301 [0,1,0,1,0,0|2,0,0]=4 13025 B13R2.3683 CN1CCc2cc(ccc2C1)F 34a_100011273785_200000210301 [0,1,0,1,0,0|2,0,0]=4 13026 B13R2.3683 CN1CCc2cc(ccc2C1)O 2230a_100000077532_200000210301 [0,1,0,1,0,0|2,0,0]=4 13027 B13R2.3683 CN1CCc2cc(ccc2C1)O 269982a_100000077532_200000210301 [0,1,0,1,0,0|2,0,0]=4 13028 B13R2.3683 CN1CCc2cc(ccc2C1)O 34a_100000077532_200000210301 [0,1,0,1,0,0|2,0,0]=4 13029 B13R2.3683 Cc1ccc2c(c1)CCN(C2)C 2230a_100000718575_200000210301 [0,1,0,1,0,0|2,0,0]=4 13030 B13R2.3683 Cc1ccc2c(c1)CCN(C2)C 269982a_100000718575_200000210301 [0,1,0,1,0,0|2,0,0]=4 13031 B13R2.3683 Cc1ccc2c(c1)CCN(C2)C 34a_100000718575_200000210301 [0,1,0,1,0,0|2,0,0]=4 13032 B13R2.3683 Cc1ccc2c(c1)CCN(C2)[13CH3] 2230a_100000718575_200025704644 [0,1,0,1,0,0|2,0,0]=4 13033 B13R2.3683 Cc1ccc2c(c1)CCN(C2)[13CH3] 269982a_100000718575_200025704644 [0,1,0,1,0,0|2,0,0]=4 13034 B13R2.3683 Cc1ccc2c(c1)CCN(C2)[13CH3] 34a_100000718575_200025704644 [0,1,0,1,0,0|2,0,0]=4 13035 B13R2.3683 O=C1Cc2ccc(cc2CN1)O 271570a_203496583355_100010174877 [0,1,0,1,0,0|1,0,1]=4 13036 B13R2.3683 [13CH3]N1CCc2cc(ccc2C1)Br 2230a_100000686056_200025704644 [0,1,0,1,0,0|2,0,0]=4 13037 B13R2.3683 [13CH3]N1CCc2cc(ccc2C1)Br 269982a_100000686056_200025704644 [0,1,0,1,0,0|2,0,0]=4 13038 B13R2.3683 [13CH3]N1CCc2cc(ccc2C1)Br 34a_100000686056_200025704644 [0,1,0,1,0,0|2,0,0]=4 13039 B13R2.3683 [13CH3]N1CCc2cc(ccc2C1)Cl 2230a_100011273784_200025704644 [0,1,0,1,0,0|2,0,0]=4 13040 B13R2.3683 [13CH3]N1CCc2cc(ccc2C1)Cl 269982a_100011273784_200025704644 [0,1,0,1,0,0|2,0,0]=4 13041 B13R2.3683 [13CH3]N1CCc2cc(ccc2C1)Cl 34a_100011273784_200025704644 [0,1,0,1,0,0|2,0,0]=4 13042 B13R2.3683 [13CH3]N1CCc2cc(ccc2C1)F 2230a_100011273785_200025704644 [0,1,0,1,0,0|2,0,0]=4 13043 B13R2.3683 [13CH3]N1CCc2cc(ccc2C1)F 269982a_100011273785_200025704644 [0,1,0,1,0,0|2,0,0]=4 13044 B13R2.3683 [13CH3]N1CCc2cc(ccc2C1)F 34a_100011273785_200025704644 [0,1,0,1,0,0|2,0,0]=4 13045 B13R2.3683 [13CH3]N1CCc2cc(ccc2C1)O 2230a_100000077532_200025704644 [0,1,0,1,0,0|2,0,0]=4 13046 B13R2.3683 [13CH3]N1CCc2cc(ccc2C1)O 269982a_100000077532_200025704644 [0,1,0,1,0,0|2,0,0]=4 13047 B13R2.3683 [13CH3]N1CCc2cc(ccc2C1)O 34a_100000077532_200025704644 [0,1,0,1,0,0|2,0,0]=4 13048 B13R2.54 CCN1Cc2cccc(c2C1)Br 2230a_100000703859_100000210202 [0,1,0,1,0,0|2,0,0]=4 13049 B13R2.54 CCN1Cc2cccc(c2C1)Br 269982a_100000703859_100000204670 [0,1,0,1,0,0|2,0,0]=4 13050 B13R2.54 CCN1Cc2cccc(c2C1)Br 34a_100000703859_100000210202 [0,1,0,1,0,0|2,0,0]=4 13051 B13R2.54 CCN1Cc2cccc(c2C1)C 2230a_100020635169_100000210202 [0,1,0,1,0,0|2,0,0]=4 13052 B13R2.54 CCN1Cc2cccc(c2C1)C 269982a_100020635169_100000204670 [0,1,0,1,0,0|2,0,0]=4 13053 B13R2.54 CCN1Cc2cccc(c2C1)C 34a_100020635169_100000210202 [0,1,0,1,0,0|2,0,0]=4 13054 B13R2.54 CCN1Cc2cccc(c2C1)Cl 2230a_100000731892_100000210202 [0,1,0,1,0,0|2,0,0]=4 13055 B13R2.54 CCN1Cc2cccc(c2C1)Cl 269982a_100000731892_100000204670 [0,1,0,1,0,0|2,0,0]=4 13056 B13R2.54 CCN1Cc2cccc(c2C1)Cl 34a_100000731892_100000210202 [0,1,0,1,0,0|2,0,0]=4 13057 B13R2.54 CCN1Cc2cccc(c2C1)F 269982a_100000051403_100000204670 [0,1,0,1,0,0|2,0,0]=4 13058 B13R2.54 CCN1Cc2cccc(c2C1)F 34a_100000051403_100000210202 [0,1,0,1,0,0|2,0,0]=4 13059 B13R2.54 CCN1Cc2cccc(c2C1)O 269982a_100015191671_100000204670 [0,1,0,1,0,0|2,0,0]=4 13060 B13R2.54 CCN1Cc2cccc(c2C1)O 34a_100015191671_100000210202 [0,1,0,1,0,0|2,0,0]=4 13061 B13R2.54 CNC1Cc2cccc(c2C1)Br 270004a_106832991635_100010205903 [0,1,0,1,0,0|0,0,0]=2 13062 B13R2.54 CNC1Cc2cccc(c2C1)C 270004a_106832991635_100010637320 [0,1,0,1,0,0|0,0,0]=2 13063 B13R2.54 COC1Cc2cccc(c2C1)Br 34a_100010752598_200000210301 [0,1,0,1,0,0|1,0,0]=3 13064 B13R2.54 [13CH3]OC1Cc2cccc(c2C1)Br 34a_100010752598_200025704644 [0,1,0,1,0,0|1,0,0]=3 13065 B13R2.155 CN1CCc2ccc(cc2C1)Br 2230a_100015189961_200000210301 [0,1,0,1,0,0|2,0,0]=4 13066 B13R2.155 CN1CCc2ccc(cc2C1)Br 269982a_100015189961_200000210301 [0,1,0,1,0,0|2,0,0]=4 13067 B13R2.155 CN1CCc2ccc(cc2C1)Br 34a_100015189961_200000210301 [0,1,0,1,0,0|2,0,0]=4 13068 B13R2.155 CN1CCc2ccc(cc2C1)Cl 2230a_100000690163_200000210301 [0,1,0,1,0,0|2,0,0]=4 13069 B13R2.155 CN1CCc2ccc(cc2C1)Cl 269982a_100000690163_200000210301 [0,1,0,1,0,0|2,0,0]=4 13070 B13R2.155 CN1CCc2ccc(cc2C1)Cl 34a_100000690163_200000210301 [0,1,0,1,0,0|2,0,0]=4 13071 B13R2.155 CN1CCc2ccc(cc2C1)F 2230a_100000755980_200000210301 [0,1,0,1,0,0|2,0,0]=4 13072 B13R2.155 CN1CCc2ccc(cc2C1)F 269982a_100000755980_200000210301 [0,1,0,1,0,0|2,0,0]=4 13073 B13R2.155 CN1CCc2ccc(cc2C1)F 34a_100000755980_200000210301 [0,1,0,1,0,0|2,0,0]=4 13074 B13R2.155 CN1CCc2ccc(cc2C1)O 2230a_100015185785_200000210301 [0,1,0,1,0,0|2,0,0]=4 13075 B13R2.155 CN1CCc2ccc(cc2C1)O 269982a_100015185785_200000210301 [0,1,0,1,0,0|2,0,0]=4 13076 B13R2.155 CN1CCc2ccc(cc2C1)O 271570a_203496583355_100010157284 [0,1,0,1,0,0|2,0,0]=4 13077 B13R2.155 CN1CCc2ccc(cc2C1)O 34a_100015185785_200000210301 [0,1,0,1,0,0|2,0,0]=4 13078 B13R2.155 Cc1ccc2c(c1)CN(CC2)C 2230a_100011255368_200000210301 [0,1,0,1,0,0|2,0,0]=4 13079 B13R2.155 Cc1ccc2c(c1)CN(CC2)C 269982a_100011255368_200000210301 [0,1,0,1,0,0|2,0,0]=4 13080 B13R2.155 Cc1ccc2c(c1)CN(CC2)C 34a_100011255368_200000210301 [0,1,0,1,0,0|2,0,0]=4 13081 B13R2.155 Cc1ccc2c(c1)CN(CC2)[13CH3] 2230a_100011255368_200025704644 [0,1,0,1,0,0|2,0,0]=4 13082 B13R2.155 Cc1ccc2c(c1)CN(CC2)[13CH3] 269982a_100011255368_200025704644 [0,1,0,1,0,0|2,0,0]=4 13083 B13R2.155 Cc1ccc2c(c1)CN(CC2)[13CH3] 34a_100011255368_200025704644 [0,1,0,1,0,0|2,0,0]=4 13084 B13R2.155 [13CH3]N1CCc2ccc(cc2C1)Br 2230a_100015189961_200025704644 [0,1,0,1,0,0|2,0,0]=4 13085 B13R2.155 [13CH3]N1CCc2ccc(cc2C1)Br 269982a_100015189961_200025704644 [0,1,0,1,0,0|2,0,0]=4 13086 B13R2.155 [13CH3]N1CCc2ccc(cc2C1)Br 34a_100015189961_200025704644 [0,1,0,1,0,0|2,0,0]=4 13087 B13R2.155 [13CH3]N1CCc2ccc(cc2C1)Cl 2230a_100000690163_200025704644 [0,1,0,1,0,0|2,0,0]=4 13088 B13R2.155 [13CH3]N1CCc2ccc(cc2C1)Cl 269982a_100000690163_200025704644 [0,1,0,1,0,0|2,0,0]=4 13089 B13R2.155 [13CH3]N1CCc2ccc(cc2C1)Cl 34a_100000690163_200025704644 [0,1,0,1,0,0|2,0,0]=4 13090 B13R2.155 [13CH3]N1CCc2ccc(cc2C1)F 2230a_100000755980_200025704644 [0,1,0,1,0,0|2,0,0]=4 13091 B13R2.155 [13CH3]N1CCc2ccc(cc2C1)F 269982a_100000755980_200025704644 [0,1,0,1,0,0|2,0,0]=4 13092 B13R2.155 [13CH3]N1CCc2ccc(cc2C1)F 34a_100000755980_200025704644 [0,1,0,1,0,0|2,0,0]=4 13093 B13R2.155 [13CH3]N1CCc2ccc(cc2C1)O 2230a_100015185785_200025704644 [0,1,0,1,0,0|2,0,0]=4 13094 B13R2.155 [13CH3]N1CCc2ccc(cc2C1)O 269982a_100015185785_200025704644 [0,1,0,1,0,0|2,0,0]=4 13095 B13R2.155 [13CH3]N1CCc2ccc(cc2C1)O 34a_100015185785_200025704644 [0,1,0,1,0,0|2,0,0]=4 13096 B13R2.3021 Brc1cccc(c1)CN2CCC2 269982a_100000754969_100000211773 [0,1,0,1,0,0|2,0,0]=4 13097 B13R2.3021 Brc1cccc(c1)CN2CCC2 26a_100000754969_100000210342 [0,1,0,1,0,0|2,0,0]=4 13098 B13R2.3021 Brc1cccc(c1)NC2CCC2 34a_100000210019_100000749161 [0,1,0,1,0,0|2,0,0]=4 13099 B13R2.3021 Brc1cccc(c1)OC2CCC2 34a_100000210342_100000749161 [0,1,0,1,0,0|2,0,0]=4 13100 B13R2.3021 Brc1cccc(c1)SC2CCC2 62a_100000691529_100000749161 [0,1,0,1,0,0|2,0,0]=4 13101 B13R2.3021 Cc1cccc(c1)CN2CCC2 269982a_100000754969_100000211840 [0,1,0,1,0,0|2,0,0]=4 13102 B13R2.3021 Cc1cccc(c1)NC2CCC2 34a_100000188690_100000749161 [0,1,0,1,0,0|2,0,0]=4 13103 B13R2.3021 Cc1cccc(c1)OC2CCC2 34a_100000210337_100000749161 [0,1,0,1,0,0|2,0,0]=4 13104 B13R2.3021 Cc1cccc(c1)SC2CCC2 62a_100011215228_100000749161 [0,1,0,1,0,0|2,0,0]=4 13105 B13R2.3021 Clc1cccc(c1)CN2CCC2 269982a_100000754969_100000181238 [0,1,0,1,0,0|2,0,0]=4 13106 B13R2.3021 Clc1cccc(c1)NC2CCC2 34a_100000185859_100000749161 [0,1,0,1,0,0|2,0,0]=4 13107 B13R2.3021 Clc1cccc(c1)OC2CCC2 34a_100000210295_100000749161 [0,1,0,1,0,0|2,0,0]=4 13108 B13R2.3021 Clc1cccc(c1)SC2CCC2 62a_100000699651_100000749161 [0,1,0,1,0,0|2,0,0]=4 13109 B13R2.3021 Fc1cccc(c1)CN2CCC2 269982a_100000754969_100000230114 [0,1,0,1,0,0|2,0,0]=4 13110 B13R2.3021 Fc1cccc(c1)NC2CCC2 34a_100000210047_100000749161 [0,1,0,1,0,0|2,0,0]=4 13111 B13R2.3021 Fc1cccc(c1)OC2CCC2 34a_100000210426_100000749161 [0,1,0,1,0,0|2,0,0]=4 13112 B13R2.3021 Fc1cccc(c1)SC2CCC2 62a_100000685547_100000749161 [0,1,0,1,0,0|2,0,0]=4 13113 B13R2.3021 Ic1cccc(c1)CN2CCC2 269982a_100000754969_100011218688 [0,1,0,1,0,0|2,0,0]=4 13114 B13R2.3021 Ic1cccc(c1)NC2CCC2 34a_100000211102_100000749161 [0,1,0,1,0,0|2,0,0]=4 13115 B13R2.3021 Ic1cccc(c1)OC2CCC2 34a_100000211634_100000749161 [0,1,0,1,0,0|2,0,0]=4 13116 B13R2.3021 Nc1cccc(c1)OC2CCC2 34a_100000210217_100000749161 [0,1,0,1,0,0|2,0,0]=4 13117 B13R2.3021 Nc1cccc(c1)SC2CCC2 62a_100000210019_100000749161 [0,1,0,1,0,0|2,0,0]=4 13118 B13R2.3021 Oc1cccc(c1)CN2CCC2 269982a_100000754969_100000084143 [0,1,0,1,0,0|2,0,0]=4 13119 B13R2.3021 Oc1cccc(c1)NC2CCC2 34a_100000210217_100000749161 [0,1,0,1,0,0|2,0,0]=4 13120 B13R2.3021 Oc1cccc(c1)OC2CCC2 271570a_203496583355_200010986888 [0,1,0,1,0,0|2,0,0]=4 13121 B13R2.3021 [S]c1cccc(c1)SC2CCC2 62a_114929384022_100000749161 [0,1,0,1,0,0|2,0,0]=4 13122 B13R2.4856 CN1C(=O)Cc2c1c(ccc2)O 271570a_203496583355_100010870571 [0,1,0,1,0,0|1,0,1]=4 13123 B13R2.5179 CN1CCc2c(cccc2C1)Br 2230a_100000756787_200000210301 [0,1,0,1,0,0|2,0,0]=4 13124 B13R2.5179 CN1CCc2c(cccc2C1)Br 269982a_100000756787_200000210301 [0,1,0,1,0,0|2,0,0]=4 13125 B13R2.5179 CN1CCc2c(cccc2C1)Br 34a_100000756787_200000210301 [0,1,0,1,0,0|2,0,0]=4 13126 B13R2.5179 CN1CCc2c(cccc2C1)Cl 2230a_100015184967_200000210301 [0,1,0,1,0,0|2,0,0]=4 13127 B13R2.5179 CN1CCc2c(cccc2C1)Cl 269982a_100015184967_200000210301 [0,1,0,1,0,0|2,0,0]=4 13128 B13R2.5179 CN1CCc2c(cccc2C1)Cl 34a_100015184967_200000210301 [0,1,0,1,0,0|2,0,0]=4 13129 B13R2.5179 CN1CCc2c(cccc2C1)F 2230a_100016987532_200000210301 [0,1,0,1,0,0|2,0,0]=4 13130 B13R2.5179 CN1CCc2c(cccc2C1)F 269982a_100016987532_200000210301 [0,1,0,1,0,0|2,0,0]=4 13131 B13R2.5179 CN1CCc2c(cccc2C1)F 34a_100016987532_200000210301 [0,1,0,1,0,0|2,0,0]=4 13132 B13R2.5179 CN1CCc2c(cccc2C1)O 2230a_100020635587_200000210301 [0,1,0,1,0,0|2,0,0]=4 13133 B13R2.5179 CN1CCc2c(cccc2C1)O 269982a_100020635587_200000210301 [0,1,0,1,0,0|2,0,0]=4 13134 B13R2.5179 CN1CCc2c(cccc2C1)O 34a_100020635587_200000210301 [0,1,0,1,0,0|2,0,0]=4 13135 B13R2.5179 Cc1cccc2c1CCN(C2)C 2230a_200000752276_200000210301 [0,1,0,1,0,0|2,0,0]=4 13136 B13R2.5179 Cc1cccc2c1CCN(C2)C 269982a_200000752276_200000210301 [0,1,0,1,0,0|2,0,0]=4 13137 B13R2.5179 Cc1cccc2c1CCN(C2)C 34a_200000752276_200000210301 [0,1,0,1,0,0|2,0,0]=4 13138 B13R2.5179 Cc1cccc2c1CCN(C2)[13CH3] 2230a_200000752276_200025704644 [0,1,0,1,0,0|2,0,0]=4 13139 B13R2.5179 Cc1cccc2c1CCN(C2)[13CH3] 269982a_200000752276_200025704644 [0,1,0,1,0,0|2,0,0]=4 13140 B13R2.5179 Cc1cccc2c1CCN(C2)[13CH3] 34a_200000752276_200025704644 [0,1,0,1,0,0|2,0,0]=4 13141 B13R2.5179 [13CH3]N1CCc2c(cccc2C1)Br 2230a_100000756787_200025704644 [0,1,0,1,0,0|2,0,0]=4 13142 B13R2.5179 [13CH3]N1CCc2c(cccc2C1)Br 269982a_100000756787_200025704644 [0,1,0,1,0,0|2,0,0]=4 13143 B13R2.5179 [13CH3]N1CCc2c(cccc2C1)Br 34a_100000756787_200025704644 [0,1,0,1,0,0|2,0,0]=4 13144 B13R2.5179 [13CH3]N1CCc2c(cccc2C1)Cl 2230a_100015184967_200025704644 [0,1,0,1,0,0|2,0,0]=4 13145 B13R2.5179 [13CH3]N1CCc2c(cccc2C1)Cl 269982a_100015184967_200025704644 [0,1,0,1,0,0|2,0,0]=4 13146 B13R2.5179 [13CH3]N1CCc2c(cccc2C1)Cl 34a_100015184967_200025704644 [0,1,0,1,0,0|2,0,0]=4 13147 B13R2.5179 [13CH3]N1CCc2c(cccc2C1)F 2230a_100016987532_200025704644 [0,1,0,1,0,0|2,0,0]=4 13148 B13R2.5179 [13CH3]N1CCc2c(cccc2C1)F 269982a_100016987532_200025704644 [0,1,0,1,0,0|2,0,0]=4 13149 B13R2.5179 [13CH3]N1CCc2c(cccc2C1)F 34a_100016987532_200025704644 [0,1,0,1,0,0|2,0,0]=4 13150 B13R2.5179 [13CH3]N1CCc2c(cccc2C1)O 2230a_100020635587_200025704644 [0,1,0,1,0,0|2,0,0]=4 13151 B13R2.5179 [13CH3]N1CCc2c(cccc2C1)O 269982a_100020635587_200025704644 [0,1,0,1,0,0|2,0,0]=4 13152 B13R2.5179 [13CH3]N1CCc2c(cccc2C1)O 34a_100020635587_200025704644 [0,1,0,1,0,0|2,0,0]=4 13153 B13R2.5190 CC1Cc2cc(ccc2C1=O)O 271570a_203496583355_100010169280 [0,1,0,1,0,0|2,0,0]=4 13154 B13R2.5190 CN1C(=O)Cc2c1ccc(c2)O 271570a_203496583355_100000183948 [0,1,0,1,0,0|1,0,1]=4 13155 B13R2.5190 Cc1nc2cc(ccc2n1C)O 271570a_203496583355_100000729442 [0,1,0,1,0,0|1,0,1]=4 13156 B13R2.103 CC1(Cc2ccccc2C1)N[13CH3] 2230a_100000706725_200025704644 [0,1,0,1,0,0|0,0,0]=2 13157 B13R2.103 CC1(Cc2ccccc2C1)N[13CH3] 34a_100000706725_200025704644 [0,1,0,1,0,0|0,0,0]=2 13158 B13R2.103 CNC1(Cc2ccccc2C1)C 2230a_100000706725_200000210301 [0,1,0,1,0,0|0,0,0]=2 13159 B13R2.103 CNC1(Cc2ccccc2C1)C 34a_100000706725_200000210301 [0,1,0,1,0,0|0,0,0]=2 13160 B13R2.162 CN1CCc2cccc(c2C1)Br 2230a_100000687140_200000210301 [0,1,0,1,0,0|2,0,0]=4 13161 B13R2.162 CN1CCc2cccc(c2C1)Br 269982a_100000687140_200000210301 [0,1,0,1,0,0|2,0,0]=4 13162 B13R2.162 CN1CCc2cccc(c2C1)Br 34a_100000687140_200000210301 [0,1,0,1,0,0|2,0,0]=4 13163 B13R2.162 CN1CCc2cccc(c2C1)Cl 2230a_100011273781_200000210301 [0,1,0,1,0,0|2,0,0]=4 13164 B13R2.162 CN1CCc2cccc(c2C1)Cl 269982a_100011273781_200000210301 [0,1,0,1,0,0|2,0,0]=4 13165 B13R2.162 CN1CCc2cccc(c2C1)Cl 34a_100011273781_200000210301 [0,1,0,1,0,0|2,0,0]=4 13166 B13R2.162 CN1CCc2cccc(c2C1)F 2230a_100000695702_200000210301 [0,1,0,1,0,0|2,0,0]=4 13167 B13R2.162 CN1CCc2cccc(c2C1)F 269982a_100000695702_200000210301 [0,1,0,1,0,0|2,0,0]=4 13168 B13R2.162 CN1CCc2cccc(c2C1)F 34a_100000695702_200000210301 [0,1,0,1,0,0|2,0,0]=4 13169 B13R2.162 CN1CCc2cccc(c2C1)O 2230a_100016995156_200000210301 [0,1,0,1,0,0|2,0,0]=4 13170 B13R2.162 CN1CCc2cccc(c2C1)O 269982a_100016995156_200000210301 [0,1,0,1,0,0|2,0,0]=4 13171 B13R2.162 CN1CCc2cccc(c2C1)O 34a_100016995156_200000210301 [0,1,0,1,0,0|2,0,0]=4 13172 B13R2.162 [13CH3]N1CCc2cccc(c2C1)Br 2230a_100000687140_200025704644 [0,1,0,1,0,0|2,0,0]=4 13173 B13R2.162 [13CH3]N1CCc2cccc(c2C1)Br 269982a_100000687140_200025704644 [0,1,0,1,0,0|2,0,0]=4 13174 B13R2.162 [13CH3]N1CCc2cccc(c2C1)Br 34a_100000687140_200025704644 [0,1,0,1,0,0|2,0,0]=4 13175 B13R2.162 [13CH3]N1CCc2cccc(c2C1)Cl 2230a_100011273781_200025704644 [0,1,0,1,0,0|2,0,0]=4 13176 B13R2.162 [13CH3]N1CCc2cccc(c2C1)Cl 269982a_100011273781_200025704644 [0,1,0,1,0,0|2,0,0]=4 13177 B13R2.162 [13CH3]N1CCc2cccc(c2C1)Cl 34a_100011273781_200025704644 [0,1,0,1,0,0|2,0,0]=4 13178 B13R2.162 [13CH3]N1CCc2cccc(c2C1)F 2230a_100000695702_200025704644 [0,1,0,1,0,0|2,0,0]=4 13179 B13R2.162 [13CH3]N1CCc2cccc(c2C1)F 269982a_100000695702_200025704644 [0,1,0,1,0,0|2,0,0]=4 13180 B13R2.162 [13CH3]N1CCc2cccc(c2C1)F 34a_100000695702_200025704644 [0,1,0,1,0,0|2,0,0]=4 13181 B13R2.162 [13CH3]N1CCc2cccc(c2C1)O 2230a_100016995156_200025704644 [0,1,0,1,0,0|2,0,0]=4 13182 B13R2.162 [13CH3]N1CCc2cccc(c2C1)O 269982a_100016995156_200025704644 [0,1,0,1,0,0|2,0,0]=4 13183 B13R2.162 [13CH3]N1CCc2cccc(c2C1)O 34a_100016995156_200025704644 [0,1,0,1,0,0|2,0,0]=4 13184 B13R2.567 CNC1CC1c2ccccc2F 2230a_100000753450_200000210301 [0,1,0,1,0,0|0,0,0]=2 13185 B13R2.567 CNC1CC1c2ccccc2F 34a_100000753450_200000210301 [0,1,0,1,0,0|0,0,0]=2 13186 B13R2.567 [13CH3]NC1CC1c2ccccc2F 2230a_100000753450_200025704644 [0,1,0,1,0,0|0,0,0]=2 13187 B13R2.567 [13CH3]NC1CC1c2ccccc2F 34a_100000753450_200025704644 [0,1,0,1,0,0|0,0,0]=2 13188 B13R2.4825 CC1Cc2c(cccc2C1=O)O 271570a_203496583355_200012356775 [0,1,0,1,0,0|2,0,0]=4 13189 B13R2.5225 Brc1ccccc1CN2CCC2 269982a_100000754969_100000184730 [0,1,0,1,0,0|2,0,0]=4 13190 B13R2.5225 Brc1ccccc1CN2CCC2 26a_100000754969_100000181306 [0,1,0,1,0,0|2,0,0]=4 13191 B13R2.5225 Brc1ccccc1NC2CCC2 34a_100000210017_100000749161 [0,1,0,1,0,0|2,0,0]=4 13192 B13R2.5225 Brc1ccccc1OC2CCC2 34a_100000181306_100000749161 [0,1,0,1,0,0|2,0,0]=4 13193 B13R2.5225 Brc1ccccc1SC2CCC2 62a_100000695589_100000749161 [0,1,0,1,0,0|2,0,0]=4 13194 B13R2.5225 Cc1ccccc1CN2CCC2 269982a_100000754969_100000211839 [0,1,0,1,0,0|2,0,0]=4 13195 B13R2.5225 Cc1ccccc1NC2CCC2 34a_100015192222_100000749161 [0,1,0,1,0,0|2,0,0]=4 13196 B13R2.5225 Cc1ccccc1OC2CCC2 34a_100000210338_100000749161 [0,1,0,1,0,0|2,0,0]=4 13197 B13R2.5225 Cc1ccccc1SC2CCC2 62a_100000210755_100000749161 [0,1,0,1,0,0|2,0,0]=4 13198 B13R2.5225 Clc1ccccc1CN2CCC2 269982a_100000754969_100000187162 [0,1,0,1,0,0|2,0,0]=4 13199 B13R2.5225 Clc1ccccc1CN2CCC2 26a_100000754969_100000210172 [0,1,0,1,0,0|2,0,0]=4 13200 B13R2.5225 Clc1ccccc1NC2CCC2 34a_100000185783_100000749161 [0,1,0,1,0,0|2,0,0]=4 13201 B13R2.5225 Clc1ccccc1OC2CCC2 34a_100000210172_100000749161 [0,1,0,1,0,0|2,0,0]=4 13202 B13R2.5225 Clc1ccccc1SC2CCC2 62a_100000764095_100000749161 [0,1,0,1,0,0|2,0,0]=4 13203 B13R2.5225 Fc1ccccc1CN2CCC2 269982a_100000754969_100000211605 [0,1,0,1,0,0|2,0,0]=4 13204 B13R2.5225 Fc1ccccc1NC2CCC2 34a_100000210422_100000749161 [0,1,0,1,0,0|2,0,0]=4 13205 B13R2.5225 Fc1ccccc1OC2CCC2 34a_100000210171_100000749161 [0,1,0,1,0,0|2,0,0]=4 13206 B13R2.5225 Fc1ccccc1SC2CCC2 62a_100011215700_100000749161 [0,1,0,1,0,0|2,0,0]=4 13207 B13R2.5225 Ic1ccccc1CN2CCC2 269982a_100000754969_100011215278 [0,1,0,1,0,0|2,0,0]=4 13208 B13R2.5225 Ic1ccccc1NC2CCC2 34a_100000210053_100000749161 [0,1,0,1,0,0|2,0,0]=4 13209 B13R2.5225 Ic1ccccc1OC2CCC2 34a_100000739446_100000749161 [0,1,0,1,0,0|2,0,0]=4 13210 B13R2.5225 Nc1ccccc1OC2CCC2 34a_100000185747_100000749161 [0,1,0,1,0,0|2,0,0]=4 13211 B13R2.5225 Nc1ccccc1SC2CCC2 62a_100000210017_100000749161 [0,1,0,1,0,0|2,0,0]=4 13212 B13R2.5225 Oc1ccccc1NC2CCC2 34a_100000185747_100000749161 [0,1,0,1,0,0|2,0,0]=4 13213 B13R2.5225 Oc1ccccc1SC2CCC2 62a_100000739446_100000749161 [0,1,0,1,0,0|2,0,0]=4 13214 B9R0.8 C=CC=CC(=O)C(C)CC 1458a_100016291481_100000758301 [0,0,1,0,1,0|2,0,0]=4 13215 B9R1.12 CCCCc1ccco1 271570a_100020621405_100009814098 [1,0,0,0,1,0|2,0,0]=4 13216 B9R1.12 CCCCc1cccs1 271570a_100020621405_100011215356 [1,0,0,0,1,0|2,0,0]=4 13217 B9R1.12 CCCCc1ccoc1 271570a_100020621405_100011215275 [1,0,0,0,1,0|2,0,0]=4 13218 B9R1.12 CCCCc1ccsc1 271570a_100020621405_100000738268 [1,0,0,0,1,0|2,0,0]=4 13219 B9R1.12 CNCCc1c[nH]cn1 2230a_106832991635_100020628418 [1,0,0,0,1,0|2,0,0]=4 13220 B9R1.12 CNCCc1c[nH]cn1 7a_106832991635_100020628418 [1,0,0,0,1,0|2,0,0]=4 13221 B9R1.12 CNCCc1ccco1 2230a_100000694680_200000210301 [1,0,0,0,1,0|1,0,0]=3 13222 B9R1.12 CNCCc1ccco1 34a_100000694680_200000210301 [1,0,0,0,1,0|1,0,0]=3 13223 B9R1.12 CNCCc1cccs1 2230a_100000203755_200000210301 [1,0,0,0,1,0|1,0,0]=3 13224 B9R1.12 CNCCc1cccs1 2230a_106832991635_100000748579 [1,0,0,0,1,0|1,0,0]=3 13225 B9R1.12 CNCCc1cccs1 34a_100000203755_200000210301 [1,0,0,0,1,0|1,0,0]=3 13226 B9R1.12 CNCCc1cccs1 34a_100102657272_100000748579 [1,0,0,0,1,0|1,0,0]=3 13227 B9R1.12 CNCCc1cccs1 7a_106832991635_100000748579 [1,0,0,0,1,0|1,0,0]=3 13228 B9R1.12 CNCCc1ccsc1 2230a_100000692642_200000210301 [1,0,0,0,1,0|1,0,0]=3 13229 B9R1.12 CNCCc1ccsc1 34a_100000692642_200000210301 [1,0,0,0,1,0|1,0,0]=3 13230 B9R1.12 CNCCc1cn[nH]c1 2230a_100000732747_200000210301 [1,0,0,0,1,0|2,0,0]=4 13231 B9R1.12 CNCCc1cn[nH]c1 2230a_106832991635_100000743252 [1,0,0,0,1,0|2,0,0]=4 13232 B9R1.12 CNCCc1cn[nH]c1 7a_106832991635_100000743252 [1,0,0,0,1,0|2,0,0]=4 13233 B9R1.12 CNCCc1cncs1 2230a_100016991637_200000210301 [1,0,0,0,1,0|2,0,0]=4 13234 B9R1.12 CNCCc1nccs1 2230a_100015186391_200000210301 [1,0,0,0,1,0|2,0,0]=4 13235 B9R1.12 CNCCn1cccc1 2230a_106832991635_200009811947 [1,0,0,0,1,0|1,0,0]=3 13236 B9R1.12 CNCCn1cccc1 34a_100011368172_200000210301 [1,0,0,0,1,0|1,0,0]=3 13237 B9R1.12 CNCCn1cccc1 7a_106832991635_200000035178 [1,0,0,0,1,0|1,0,0]=3 13238 B9R1.12 CNCCn1cccn1 2230a_100011200920_200000210301 [1,0,0,0,1,0|2,0,0]=4 13239 B9R1.12 CNCCn1cccn1 2230a_106832991635_100000685285 [1,0,0,0,1,0|2,0,0]=4 13240 B9R1.12 CNCCn1cccn1 34a_100102657272_100015204718 [1,0,0,0,1,0|2,0,0]=4 13241 B9R1.12 CNCCn1cccn1 7a_106832991635_100000685285 [1,0,0,0,1,0|2,0,0]=4 13242 B9R1.12 CNCCn1ccnc1 7a_106832991635_100000702546 [1,0,0,0,1,0|2,0,0]=4 13243 B9R1.12 COCCc1cccs1 34a_100011216825_200000210301 [1,0,0,0,1,0|2,0,0]=4 13244 B9R1.12 COCCc1cccs1 34a_100138415774_100000748579 [1,0,0,0,1,0|2,0,0]=4 13245 B9R1.12 COCCc1cccs1 7a_100011216825_200000210301 [1,0,0,0,1,0|2,0,0]=4 13246 B9R1.12 COCCc1ccsc1 34a_100000748821_200000210301 [1,0,0,0,1,0|2,0,0]=4 13247 B9R1.12 COCCn1cccc1 34a_100000179382_200000210301 [1,0,0,0,1,0|2,0,0]=4 13248 B9R1.12 CSCCc1cccs1 62a_100000748579_200000210301 [1,0,0,0,1,0|2,0,0]=4 13249 B9R1.12 CSCCc1cccs1 62a_200000210301_100000748579 [1,0,0,0,1,0|2,0,0]=4 13250 B9R1.12 CSCCn1cccc1 62a_200000210301_200000035178 [1,0,0,0,1,0|2,0,0]=4 13251 B9R1.12 CSCCn1cccc1 62a_200009811947_200000210301 [1,0,0,0,1,0|2,0,0]=4 13252 B9R1.12 [13CH3]NCCc1ccco1 2230a_100000694680_200025704644 [1,0,0,0,1,0|1,0,0]=3 13253 B9R1.12 [13CH3]NCCc1ccco1 34a_100000694680_200025704644 [1,0,0,0,1,0|1,0,0]=3 13254 B9R1.12 [13CH3]NCCc1cccs1 2230a_100000203755_200025704644 [1,0,0,0,1,0|1,0,0]=3 13255 B9R1.12 [13CH3]NCCc1cccs1 34a_100000203755_200025704644 [1,0,0,0,1,0|1,0,0]=3 13256 B9R1.12 [13CH3]NCCc1ccsc1 2230a_100000692642_200025704644 [1,0,0,0,1,0|1,0,0]=3 13257 B9R1.12 [13CH3]NCCc1ccsc1 34a_100000692642_200025704644 [1,0,0,0,1,0|1,0,0]=3 13258 B9R1.12 [13CH3]NCCc1cn[nH]c1 2230a_100000732747_200025704644 [1,0,0,0,1,0|2,0,0]=4 13259 B9R1.12 [13CH3]NCCc1cncs1 2230a_100016991637_200025704644 [1,0,0,0,1,0|2,0,0]=4 13260 B9R1.12 [13CH3]NCCc1nccs1 2230a_100015186391_200025704644 [1,0,0,0,1,0|2,0,0]=4 13261 B9R1.12 [13CH3]NCCn1cccc1 34a_100011368172_200025704644 [1,0,0,0,1,0|1,0,0]=3 13262 B9R1.12 [13CH3]NCCn1cccn1 2230a_100011200920_200025704644 [1,0,0,0,1,0|2,0,0]=4 13263 B9R1.12 [13CH3]OCCc1cccs1 34a_100011216825_200025704644 [1,0,0,0,1,0|2,0,0]=4 13264 B9R1.12 [13CH3]OCCc1cccs1 7a_100011216825_200025704644 [1,0,0,0,1,0|2,0,0]=4 13265 B9R1.12 [13CH3]OCCc1ccsc1 34a_100000748821_200025704644 [1,0,0,0,1,0|2,0,0]=4 13266 B9R1.12 [13CH3]OCCn1cccc1 34a_100000179382_200025704644 [1,0,0,0,1,0|2,0,0]=4 13267 B9R1.12 [13CH3]SCCc1cccs1 62a_100000748579_200025704644 [1,0,0,0,1,0|2,0,0]=4 13268 B9R1.12 [13CH3]SCCc1cccs1 62a_200025704644_100000748579 [1,0,0,0,1,0|2,0,0]=4 13269 B9R1.12 [13CH3]SCCn1cccc1 62a_200009811947_200025704644 [1,0,0,0,1,0|2,0,0]=4 13270 B9R1.12 [13CH3]SCCn1cccc1 62a_200025704644_200000035178 [1,0,0,0,1,0|2,0,0]=4 13271 B9R1.6 C=C(C)c1ccccc1 271570a_100000694244_100000210277 [1,0,0,0,1,0|0,0,2]=4 13272 B9R1.6 CC(=O)c1ccccc1 1458a_100000185807_200000210301 [1,0,0,0,1,0|1,0,1]=4 13273 B9R1.6 CN(C)c1ccccc1 2230a_100000210012_200000210301 [1,0,0,0,1,0|1,0,0]=3 13274 B9R1.6 CN(C)c1ccccc1 269982a_100000210012_200000210301 [1,0,0,0,1,0|1,0,0]=3 13275 B9R1.6 CN(C)c1ccccc1 34a_100000210012_200000210301 [1,0,0,0,1,0|1,0,0]=3 13276 B9R1.6 CN([13CH3])c1ccccc1 2230a_100000210012_200025704644 [1,0,0,0,1,0|1,0,0]=3 13277 B9R1.6 CN([13CH3])c1ccccc1 269982a_100000210012_200025704644 [1,0,0,0,1,0|1,0,0]=3 13278 B9R1.6 CN([13CH3])c1ccccc1 34a_100000210012_200025704644 [1,0,0,0,1,0|1,0,0]=3 13279 B9R1.6 [13CH3]C(=O)c1ccccc1 1458a_100000185807_200025704644 [1,0,0,0,1,0|1,0,1]=4 13280 B9R1.13 CC(C)Oc1ccsc1 34a_100000106738_100000210206 [1,0,0,0,1,0|2,0,0]=4 13281 B9R1.13 CC(C)Oc1ccsc1 7a_100000106738_100000210206 [1,0,0,0,1,0|2,0,0]=4 13282 B9R1.13 CC(C)Sc1ccco1 62a_100000210206_100009814098 [1,0,0,0,1,0|2,0,0]=4 13283 B9R1.13 CC(C)Sc1ccco1 62a_100009814098_100000210206 [1,0,0,0,1,0|2,0,0]=4 13284 B9R1.13 CC(C)Sc1cccs1 62a_100000210206_100011215356 [1,0,0,0,1,0|2,0,0]=4 13285 B9R1.13 CC(C)Sc1cccs1 62a_100011215356_100000210206 [1,0,0,0,1,0|2,0,0]=4 13286 B9R1.13 CC(C)Sc1ccoc1 62a_100000210206_100011215275 [1,0,0,0,1,0|2,0,0]=4 13287 B9R1.13 CC(C)Sc1ccoc1 62a_100011215275_100000210206 [1,0,0,0,1,0|2,0,0]=4 13288 B9R1.13 CC(C)Sc1ccsc1 62a_100000210206_100000738268 [1,0,0,0,1,0|2,0,0]=4 13289 B9R1.13 CC(C)Sc1ccsc1 62a_100000738268_100000210206 [1,0,0,0,1,0|2,0,0]=4 13290 B9R1.13 CN(C)Cc1ccco1 2230a_100000185268_200000210301 [1,0,0,0,1,0|2,0,0]=4 13291 B9R1.13 CN(C)Cc1ccco1 269982a_100000185268_200000210301 [1,0,0,0,1,0|2,0,0]=4 13292 B9R1.13 CN(C)Cc1ccco1 270004a_100102631434_100000186105 [1,0,0,0,1,0|2,0,0]=4 13293 B9R1.13 CN(C)Cc1cccs1 2230a_100000184426_200000210301 [1,0,0,0,1,0|2,0,0]=4 13294 B9R1.13 CN(C)Cc1cccs1 269982a_100000184426_200000210301 [1,0,0,0,1,0|2,0,0]=4 13295 B9R1.13 CN(C)Cc1cccs1 270004a_100102631434_100000209959 [1,0,0,0,1,0|2,0,0]=4 13296 B9R1.13 CN(C)Cc1ccoc1 270004a_100102631434_100011215517 [1,0,0,0,1,0|2,0,0]=4 13297 B9R1.13 CN(C)Cc1ccsc1 2230a_100020654213_200000210301 [1,0,0,0,1,0|2,0,0]=4 13298 B9R1.13 CN(C)Cc1ccsc1 2230a_100102631434_100011261437 [1,0,0,0,1,0|2,0,0]=4 13299 B9R1.13 CN(C)Cc1ccsc1 269982a_100020654213_200000210301 [1,0,0,0,1,0|2,0,0]=4 13300 B9R1.13 CN(C)Cc1ccsc1 269982a_100102631434_100011233845 [1,0,0,0,1,0|2,0,0]=4 13301 B9R1.13 CN(C)Cc1ccsc1 270004a_100102631434_100000188534 [1,0,0,0,1,0|2,0,0]=4 13302 B9R1.13 CN([13CH3])Cc1ccco1 2230a_100000185268_200025704644 [1,0,0,0,1,0|2,0,0]=4 13303 B9R1.13 CN([13CH3])Cc1ccco1 269982a_100000185268_200025704644 [1,0,0,0,1,0|2,0,0]=4 13304 B9R1.13 CN([13CH3])Cc1cccs1 2230a_100000184426_200025704644 [1,0,0,0,1,0|2,0,0]=4 13305 B9R1.13 CN([13CH3])Cc1cccs1 269982a_100000184426_200025704644 [1,0,0,0,1,0|2,0,0]=4 13306 B9R1.13 CN([13CH3])Cc1ccsc1 2230a_100020654213_200025704644 [1,0,0,0,1,0|2,0,0]=4 13307 B9R1.13 CN([13CH3])Cc1ccsc1 269982a_100020654213_200025704644 [1,0,0,0,1,0|2,0,0]=4 13308 B9R1.11 CC(N[13CH3])c1cccs1 2230a_100000703493_200025704644 [0,0,0,0,2,0|1,0,0]=3 13309 B9R1.11 CC(N[13CH3])c1ccoc1 2230a_100000690049_200025704644 [0,0,0,0,2,0|1,0,0]=3 13310 B9R1.11 CC(N[13CH3])c1ccsc1 2230a_100000748604_200025704644 [0,0,0,0,2,0|1,0,0]=3 13311 B9R1.11 CC(N[13CH3])c1nccs1 2230a_100000725601_200025704644 [0,0,0,0,2,0|2,0,0]=4 13312 B9R1.11 CC(O[13CH3])c1ccsc1 34a_100011350980_200025704644 [0,0,0,0,2,0|2,0,0]=4 13313 B9R1.11 CC(O[13CH3])c1ccsc1 7a_100011350980_200025704644 [0,0,0,0,2,0|2,0,0]=4 13314 B9R1.11 CNC(C)c1cc[nH]c1 269862a_106832991636_100000753940 [0,0,0,0,2,0|1,0,0]=3 13315 B9R1.11 CNC(C)c1ccc[nH]1 269862a_106832991636_100000183661 [0,0,0,0,2,0|1,0,0]=3 13316 B9R1.11 CNC(C)c1cccs1 2230a_100000703493_200000210301 [0,0,0,0,2,0|1,0,0]=3 13317 B9R1.11 CNC(C)c1cccs1 269862a_106832991636_100000185736 [0,0,0,0,2,0|1,0,0]=3 13318 B9R1.11 CNC(C)c1ccn[nH]1 269862a_106832991636_100000747476 [0,0,0,0,2,0|2,0,0]=4 13319 B9R1.11 CNC(C)c1ccoc1 2230a_100000690049_200000210301 [0,0,0,0,2,0|1,0,0]=3 13320 B9R1.11 CNC(C)c1ccsc1 2230a_100000748604_200000210301 [0,0,0,0,2,0|1,0,0]=3 13321 B9R1.11 CNC(C)c1ccsc1 269862a_106832991636_100000747891 [0,0,0,0,2,0|1,0,0]=3 13322 B9R1.11 CNC(C)c1cn[nH]c1 269862a_106832991636_100000725364 [0,0,0,0,2,0|2,0,0]=4 13323 B9R1.11 CNC(C)c1cscn1 269862a_106832991636_100000693406 [0,0,0,0,2,0|2,0,0]=4 13324 B9R1.11 CNC(C)c1ncc[nH]1 269862a_106832991636_100000718901 [0,0,0,0,2,0|2,0,0]=4 13325 B9R1.11 CNC(C)c1nccs1 2230a_100000725601_200000210301 [0,0,0,0,2,0|2,0,0]=4 13326 B9R1.11 CN[C@H](C)c1ccco1 2230a_100160469435_200000210301 [0,0,0,0,2,0|1,0,0]=3 13327 B9R1.11 COC(C)c1ccsc1 34a_100011350980_200000210301 [0,0,0,0,2,0|2,0,0]=4 13328 B9R1.11 COC(C)c1ccsc1 7a_100011350980_200000210301 [0,0,0,0,2,0|2,0,0]=4 13329 B9R1.11 CO[C@@H](C)c1ccco1 34a_100000755270_200000210301 [0,0,0,0,2,0|2,0,0]=4 13330 B9R1.11 CO[C@@H](C)c1ccco1 7a_100000755270_200000210301 [0,0,0,0,2,0|2,0,0]=4 13331 B9R1.11 CO[C@H](C)c1cccs1 7a_100000750433_200000210301 [0,0,0,0,2,0|2,0,0]=4 13332 B9R1.11 C[C@@H](N[13CH3])c1ccco1 2230a_100160469435_200025704644 [0,0,0,0,2,0|1,0,0]=3 13333 B9R1.11 C[C@@H](O[13CH3])c1cccs1 7a_100000750433_200025704644 [0,0,0,0,2,0|2,0,0]=4 13334 B9R1.11 C[C@H](O[13CH3])c1ccco1 34a_100000755270_200025704644 [0,0,0,0,2,0|2,0,0]=4 13335 B9R1.11 C[C@H](O[13CH3])c1ccco1 7a_100000755270_200025704644 [0,0,0,0,2,0|2,0,0]=4 13336 B13R1.718 C#CC(C)NCCc1ccccc1 2230a_100000707721_100000765856 [0,0,0,0,0,2|1,0,1]=4 13337 B13R1.718 C#CC(C)NCCc1ccccc1 34a_100000106460_200000035995 [0,0,0,0,0,2|1,0,1]=4 13338 B13R1.718 C#CC(C)NCCc1ccccc1 34a_100000707721_100000765856 [0,0,0,0,0,2|1,0,1]=4 13339 B13R1.718 C#CC(C)NCSc1ccccc1 2230a_100000707721_100011218342 [0,0,0,0,0,2|1,0,1]=4 13340 B13R1.718 C#CC(C)OCCc1ccccc1 34a_100000210268_200000035995 [0,0,0,0,0,2|1,0,1]=4 13341 B13R1.718 C#CC(C)SCCc1ccccc1 62a_200000035995_100011218657 [0,0,0,0,0,2|1,0,1]=4 13342 B13R1.718 C#CC(C)SCSc1ccccc1 62a_200000035995_100011218342 [0,0,0,0,0,2|1,0,1]=4 13343 B13R1.718 C#C[C@@H](C)OCCc1ccccc1 34a_100009815206_100000765856 [0,0,0,0,0,2|1,0,1]=4 13344 B13R1.718 C#C[C@@H](C)OCCc1ccccc1 7a_100009815206_100000765856 [0,0,0,0,0,2|1,0,1]=4 13345 B13R1.718 C=CC(C)COCc1ccccc1 34a_100011215527_100015291786 [0,0,0,0,0,2|1,0,1]=4 13346 B13R1.718 C=CC(C)COCc1ccccc1 7a_100011215527_100000211182 [0,0,0,0,0,2|1,0,1]=4 13347 B13R1.718 C=CC(C)OCCc1ccccc1 34a_100000695699_100000765856 [0,0,0,0,0,2|1,0,1]=4 13348 B13R1.718 C=CC(C)SCCc1ccccc1 62a_100011215867_100011218657 [0,0,0,0,0,2|1,0,1]=4 13349 B13R1.718 C=CC(C)SCSc1ccccc1 62a_100011215867_100011218342 [0,0,0,0,0,2|1,0,1]=4 13350 B13R1.718 CC(C#N)NCCc1ccccc1 2230a_100000106460_100000184139 [0,0,0,0,0,2|2,0,0]=4 13351 B13R1.718 CC(C#N)NCCc1ccccc1 2230a_100000737613_100000765856 [0,0,0,0,0,2|2,0,0]=4 13352 B13R1.718 CC(C#N)NCSc1ccccc1 2230a_100000737613_100011218342 [0,0,0,0,0,2|2,0,0]=4 13353 B13R1.718 CC(C#N)OCCc1ccccc1 34a_100011218135_100000765856 [0,0,0,0,0,2|2,0,0]=4 13354 B13R1.718 CC(C#N)OCCc1ccccc1 7a_100000210268_100000703298 [0,0,0,0,0,2|2,0,0]=4 13355 B13R1.718 CC(C#N)SCCc1ccccc1 62a_100000703298_100011218657 [0,0,0,0,0,2|2,0,0]=4 13356 B13R1.718 CC(C#N)SCCc1ccccc1 62a_100000765856_100000703298 [0,0,0,0,0,2|2,0,0]=4 13357 B13R1.718 CC(C#N)SCSc1ccccc1 62a_100000703298_100011218342 [0,0,0,0,0,2|2,0,0]=4 13358 B13R1.718 CC(C#N)SCSc1ccccc1 62a_100011218342_100000703298 [0,0,0,0,0,2|2,0,0]=4 13359 B13R1.718 CC(CCCc1ccccc1)S[13CH3] 62a_200010759516_200025704644 [0,0,0,0,0,2|1,0,0]=3 13360 B13R1.718 CC(CCCc1ccccc1)S[13CH3] 62a_200025704644_200010759516 [0,0,0,0,0,2|1,0,0]=3 13361 B13R1.718 CC(CF)OCCc1ccccc1 34a_100016041109_100000765856 [0,0,0,0,0,2|2,0,0]=4 13362 B13R1.718 CC(CF)OCCc1ccccc1 7a_100016041109_100000765856 [0,0,0,0,0,2|2,0,0]=4 13363 B13R1.718 CC(CN)COCc1ccccc1 34a_100000744482_100015291786 [0,0,0,0,0,2|2,0,0]=4 13364 B13R1.718 CC(CN)OCCc1ccccc1 34a_100000210904_100000765856 [0,0,0,0,0,2|2,0,0]=4 13365 B13R1.718 CC(CO)CNCc1ccccc1 207a_100000744482_100015611070 [0,0,0,0,0,2|2,0,0]=4 13366 B13R1.718 CC(CO)CNCc1ccccc1 34a_100000744482_100015291786 [0,0,0,0,0,2|2,0,0]=4 13367 B13R1.718 CC(CO)NCCc1ccccc1 2230a_100000106460_100012180447 [0,0,0,0,0,2|2,0,0]=4 13368 B13R1.718 CC(CO)NCCc1ccccc1 34a_100000106460_100012180447 [0,0,0,0,0,2|2,0,0]=4 13369 B13R1.718 CC(CO)OCCc1ccccc1 34a_100000210268_100012180447 [0,0,0,0,0,2|2,0,0]=4 13370 B13R1.718 CC(CO)OCCc1ccccc1 7a_100000210268_100012180447 [0,0,0,0,0,2|2,0,0]=4 13371 B13R1.718 CC(CO)SCCc1ccccc1 62a_100012180447_100011218657 [0,0,0,0,0,2|2,0,0]=4 13372 B13R1.718 CC(CO)SCSc1ccccc1 62a_100012180447_100011218342 [0,0,0,0,0,2|2,0,0]=4 13373 B13R1.718 CC(COCc1ccccc1)O[13CH3] 34a_100000764311_200025704644 [0,0,0,0,0,2|1,0,0]=3 13374 B13R1.718 CC(COCc1ccccc1)O[13CH3] 7a_100000764311_200025704644 [0,0,0,0,0,2|1,0,0]=3 13375 B13R1.718 CCC(C)C=NNc1ccccc1 4a_100015195140_100000243153 [0,0,0,0,0,2|1,0,1]=4 13376 B13R1.718 CCC(C)CNCc1ccccc1 207a_100020588543_100015611070 [0,0,0,0,0,2|1,0,0]=3 13377 B13R1.718 CCC(C)CNCc1ccccc1 2230a_100015324214_100000748023 [0,0,0,0,0,2|1,0,0]=3 13378 B13R1.718 CCC(C)CNCc1ccccc1 2230a_100020588543_100015291786 [0,0,0,0,0,2|1,0,0]=3 13379 B13R1.718 CCC(C)CNCc1ccccc1 270004a_100015324214_100000243153 [0,0,0,0,0,2|1,0,0]=3 13380 B13R1.718 CCC(C)CNCc1ccccc1 270004a_100020588543_100015611070 [0,0,0,0,0,2|1,0,0]=3 13381 B13R1.718 CCC(C)CNCc1ccccc1 34a_100015324214_100000748023 [0,0,0,0,0,2|1,0,0]=3 13382 B13R1.718 CCC(C)CNCc1ccccn1 207a_100020588543_100000209966 [0,0,0,0,0,2|2,0,0]=4 13383 B13R1.718 CCC(C)CNCc1ccccn1 2230a_100020588543_100000721315 [0,0,0,0,0,2|2,0,0]=4 13384 B13R1.718 CCC(C)CNCc1ccccn1 270004a_100000210449_100000243153 [0,0,0,0,0,2|2,0,0]=4 13385 B13R1.718 CCC(C)CNCc1ccccn1 270004a_100020588543_100000209966 [0,0,0,0,0,2|2,0,0]=4 13386 B13R1.718 CCC(C)CNCc1cccnc1 207a_100020588543_100000209961 [0,0,0,0,0,2|2,0,0]=4 13387 B13R1.718 CCC(C)CNCc1cccnc1 2230a_100020588543_100000741622 [0,0,0,0,0,2|2,0,0]=4 13388 B13R1.718 CCC(C)CNCc1cccnc1 270004a_100000210453_100000243153 [0,0,0,0,0,2|2,0,0]=4 13389 B13R1.718 CCC(C)CNCc1cccnc1 270004a_100020588543_100000209961 [0,0,0,0,0,2|2,0,0]=4 13390 B13R1.718 CCC(C)CNCc1ccncc1 207a_100020588543_100000186114 [0,0,0,0,0,2|2,0,0]=4 13391 B13R1.718 CCC(C)CNCc1ccncc1 2230a_100020588543_100015193705 [0,0,0,0,0,2|2,0,0]=4 13392 B13R1.718 CCC(C)COCc1ccccc1 34a_100000210790_100000748023 [0,0,0,0,0,2|1,0,0]=3 13393 B13R1.718 CCC(C)COCc1ccccc1 7a_100000210790_100000748023 [0,0,0,0,0,2|1,0,0]=3 13394 B13R1.718 CCC(C)CSCc1ccccc1 62a_100000211182_100000748023 [0,0,0,0,0,2|1,0,0]=3 13395 B13R1.718 CCC(C)CSCc1ccccc1 62a_100000748023_100015291786 [0,0,0,0,0,2|1,0,0]=3 13396 B13R1.718 CCC(C)CSCc1ccccn1 62a_100000721315_100000748023 [0,0,0,0,0,2|2,0,0]=4 13397 B13R1.718 CCC(C)CSCc1ccccn1 62a_100000748023_100000721315 [0,0,0,0,0,2|2,0,0]=4 13398 B13R1.718 CCC(C)CSCc1cccnc1 62a_100000741622_100000748023 [0,0,0,0,0,2|2,0,0]=4 13399 B13R1.718 CCC(C)CSCc1cccnc1 62a_100000748023_100000741622 [0,0,0,0,0,2|2,0,0]=4 13400 B13R1.718 CCC(C)CSCc1ccncc1 62a_100000748023_100015193705 [0,0,0,0,0,2|2,0,0]=4 13401 B13R1.718 CCC(C)CSCc1ccncc1 62a_100015193705_100000748023 [0,0,0,0,0,2|2,0,0]=4 13402 B13R1.718 CCC(C)NCCc1ccccc1 2230a_100000106460_100000758301 [0,0,0,0,0,2|1,0,0]=3 13403 B13R1.718 CCC(C)NCCc1ccccc1 2230a_100000209981_100000765856 [0,0,0,0,0,2|1,0,0]=3 13404 B13R1.718 CCC(C)NCCc1ccccc1 34a_100000106460_100011215416 [0,0,0,0,0,2|1,0,0]=3 13405 B13R1.718 CCC(C)NCCc1ccccn1 2230a_100000209981_100015183660 [0,0,0,0,0,2|2,0,0]=4 13406 B13R1.718 CCC(C)NCCc1cccnc1 2230a_100000209981_200011713674 [0,0,0,0,0,2|2,0,0]=4 13407 B13R1.718 CCC(C)NCCc1cccnc1 2230a_100000736294_100000758301 [0,0,0,0,0,2|2,0,0]=4 13408 B13R1.718 CCC(C)NCCc1ccncc1 2230a_100000209981_100000723409 [0,0,0,0,0,2|2,0,0]=4 13409 B13R1.718 CCC(C)NCSc1ccccc1 2230a_100000209981_100011218342 [0,0,0,0,0,2|1,0,0]=3 13410 B13R1.718 CCC(C)NN=Cc1ccccc1 4a_100000718999_100015611070 [0,0,0,0,0,2|1,0,1]=4 13411 B13R1.718 CCC(C)OCCc1ccccc1 34a_100000210268_100011215416 [0,0,0,0,0,2|1,0,0]=3 13412 B13R1.718 CCC(C)OCCc1ccccc1 7a_100000210228_100000765856 [0,0,0,0,0,2|1,0,0]=3 13413 B13R1.718 CCC(C)OCCc1ccccc1 7a_100000210268_100000758301 [0,0,0,0,0,2|1,0,0]=3 13414 B13R1.718 CCC(C)OCCc1ccccn1 34a_100000210271_100011215416 [0,0,0,0,0,2|2,0,0]=4 13415 B13R1.718 CCC(C)OCCc1ccccn1 7a_100000210228_100015183660 [0,0,0,0,0,2|2,0,0]=4 13416 B13R1.718 CCC(C)OCCc1cccnc1 34a_100011217484_100011215416 [0,0,0,0,0,2|2,0,0]=4 13417 B13R1.718 CCC(C)OCCc1cccnc1 7a_100000210228_200011713674 [0,0,0,0,0,2|2,0,0]=4 13418 B13R1.718 CCC(C)OCCc1ccncc1 34a_100011216225_100011215416 [0,0,0,0,0,2|2,0,0]=4 13419 B13R1.718 CCC(C)OCCc1ccncc1 7a_100000210228_100000723409 [0,0,0,0,0,2|2,0,0]=4 13420 B13R1.718 CCC(C)SCCc1ccccc1 62a_100000758301_100011218657 [0,0,0,0,0,2|1,0,0]=3 13421 B13R1.718 CCC(C)SCCc1ccccc1 62a_100000765856_100000758301 [0,0,0,0,0,2|1,0,0]=3 13422 B13R1.718 CCC(C)SCCc1ccccn1 62a_100000758301_100015183660 [0,0,0,0,0,2|2,0,0]=4 13423 B13R1.718 CCC(C)SCCc1ccccn1 62a_100015183660_100000758301 [0,0,0,0,0,2|2,0,0]=4 13424 B13R1.718 CCC(C)SCCc1cccnc1 62a_100000758301_200011713674 [0,0,0,0,0,2|2,0,0]=4 13425 B13R1.718 CCC(C)SCCc1cccnc1 62a_200011713674_100000758301 [0,0,0,0,0,2|2,0,0]=4 13426 B13R1.718 CCC(C)SCCc1ccncc1 62a_100000723409_100000758301 [0,0,0,0,0,2|2,0,0]=4 13427 B13R1.718 CCC(C)SCCc1ccncc1 62a_100000758301_100000723409 [0,0,0,0,0,2|2,0,0]=4 13428 B13R1.718 CCC(C)SCSc1ccccc1 62a_100000758301_100011218342 [0,0,0,0,0,2|1,0,0]=3 13429 B13R1.718 CCC(C)SCSc1ccccc1 62a_100011218342_100000758301 [0,0,0,0,0,2|1,0,0]=3 13430 B13R1.718 CCC(O)CNCc1ccccc1 207a_100011218483_100015611070 [0,0,0,0,0,2|2,0,0]=4 13431 B13R1.718 CCC(O)CNCc1ccccc1 2230a_100011218483_100015291786 [0,0,0,0,0,2|2,0,0]=4 13432 B13R1.718 CCC(O)CNCc1ccccc1 2230a_100015324214_100011218378 [0,0,0,0,0,2|2,0,0]=4 13433 B13R1.718 CCC(O)CNCc1ccccc1 270004a_100011218483_100015611070 [0,0,0,0,0,2|2,0,0]=4 13434 B13R1.718 CCC(O)CNCc1ccccc1 34a_100015324214_100011218378 [0,0,0,0,0,2|2,0,0]=4 13435 B13R1.718 CCC(O)COCc1ccccc1 34a_100000210790_100011218378 [0,0,0,0,0,2|2,0,0]=4 13436 B13R1.718 CCC(O)COCc1ccccc1 7a_100000210790_100011218378 [0,0,0,0,0,2|2,0,0]=4 13437 B13R1.718 CCC(O)CSCc1ccccc1 62a_100000211182_100011218378 [0,0,0,0,0,2|2,0,0]=4 13438 B13R1.718 CCC(O)CSCc1ccccc1 62a_100011218378_100015291786 [0,0,0,0,0,2|2,0,0]=4 13439 B13R1.718 CCN(C)C/C=C/c1ccccc1 2230a_100000225621_100016265936 [0,0,0,0,0,2|2,0,0]=4 13440 B13R1.718 CCN(C)C/C=C/c1ccccc1 2230a_100020603567_200000210301 [0,0,0,0,0,2|2,0,0]=4 13441 B13R1.718 CCN(C)C/C=C/c1ccccc1 269982a_100000225621_100016265936 [0,0,0,0,0,2|2,0,0]=4 13442 B13R1.718 CCN(C)C/C=C/c1ccccc1 269982a_100020603567_200000210301 [0,0,0,0,0,2|2,0,0]=4 13443 B13R1.718 CCN(C)CC#Cc1ccccc1 2230a_100000225621_100011352542 [0,0,0,0,0,2|2,0,0]=4 13444 B13R1.718 CCN(C)CC#Cc1ccccc1 269982a_100000225621_100011352542 [0,0,0,0,0,2|2,0,0]=4 13445 B13R1.718 CCN(C)CCCc1ccccc1 2230a_100000225621_100000211621 [0,0,0,0,0,2|2,0,0]=4 13446 B13R1.718 CCN(C)CCCc1ccccc1 2230a_100000693637_100000210202 [0,0,0,0,0,2|2,0,0]=4 13447 B13R1.718 CCN(C)CCCc1ccccc1 269982a_100000225621_100000211621 [0,0,0,0,0,2|2,0,0]=4 13448 B13R1.718 CCN(C)CCCc1ccccc1 269982a_100000693637_100000204670 [0,0,0,0,0,2|2,0,0]=4 13449 B13R1.718 CCN(C)CCOc1ccccc1 2230a_100000184383_100000210202 [0,0,0,0,0,2|2,0,0]=4 13450 B13R1.718 CCN(C)CCOc1ccccc1 2230a_100000225621_100000184471 [0,0,0,0,0,2|2,0,0]=4 13451 B13R1.718 CCN(C)CCOc1ccccc1 2230a_100015187784_200000210301 [0,0,0,0,0,2|2,0,0]=4 13452 B13R1.718 CCN(C)CCOc1ccccc1 269982a_100000184383_100000204670 [0,0,0,0,0,2|2,0,0]=4 13453 B13R1.718 CCN(C)CCOc1ccccc1 269982a_100000225621_100000184471 [0,0,0,0,0,2|2,0,0]=4 13454 B13R1.718 CCN(C)CCOc1ccccc1 269982a_100015187784_200000210301 [0,0,0,0,0,2|2,0,0]=4 13455 B13R1.718 CCN(C)CCSc1ccccc1 2230a_100000225621_100000246102 [0,0,0,0,0,2|2,0,0]=4 13456 B13R1.718 CCN(C)CCSc1ccccc1 269982a_100000225621_100000246102 [0,0,0,0,0,2|2,0,0]=4 13457 B13R1.718 CCN(C)COCc1ccccc1 2230a_100000225621_100000763385 [0,0,0,0,0,2|2,0,0]=4 13458 B13R1.718 CCN(C)CSCc1ccccc1 2230a_100000225621_200011217039 [0,0,0,0,0,2|2,0,0]=4 13459 B13R1.718 CCN(C)CSCc1ccccc1 269982a_100000225621_200011217039 [0,0,0,0,0,2|2,0,0]=4 13460 B13R1.718 CCN([13CH3])C/C=C/c1ccccc1 2230a_100020603567_200025704644 [0,0,0,0,0,2|2,0,0]=4 13461 B13R1.718 CCN([13CH3])C/C=C/c1ccccc1 269982a_100020603567_200025704644 [0,0,0,0,0,2|2,0,0]=4 13462 B13R1.718 CCN([13CH3])CCOc1ccccc1 2230a_100015187784_200025704644 [0,0,0,0,0,2|2,0,0]=4 13463 B13R1.718 CCN([13CH3])CCOc1ccccc1 269982a_100015187784_200025704644 [0,0,0,0,0,2|2,0,0]=4 13464 B13R1.718 CC[C@H](C)CNCc1ccccc1 2230a_100015324214_100009816398 [0,0,0,0,0,2|1,0,0]=3 13465 B13R1.718 CC[C@H](C)CNCc1ccccc1 34a_100015324214_100009816398 [0,0,0,0,0,2|1,0,0]=3 13466 B13R1.718 CC[C@H](C)COCc1ccccc1 34a_100000210790_100009816398 [0,0,0,0,0,2|1,0,0]=3 13467 B13R1.718 CC[C@H](C)COCc1ccccc1 7a_100000210790_100009816398 [0,0,0,0,0,2|1,0,0]=3 13468 B13R1.718 CC[C@H](C)COCc1ccccc1 7a_100009816381_100000211182 [0,0,0,0,0,2|1,0,0]=3 13469 B13R1.718 CC[C@H](C)COCc1ccccn1 7a_100009816381_100000721315 [0,0,0,0,0,2|2,0,0]=4 13470 B13R1.718 CC[C@H](C)COCc1cccnc1 7a_100009816381_100000741622 [0,0,0,0,0,2|2,0,0]=4 13471 B13R1.718 CC[C@H](C)COCc1ccncc1 7a_100009816381_100015193705 [0,0,0,0,0,2|2,0,0]=4 13472 B13R1.718 CC[C@H](C)CSCc1ccccc1 62a_100000211182_100009816398 [0,0,0,0,0,2|1,0,0]=3 13473 B13R1.718 CC[C@H](C)CSCc1ccccc1 62a_100009816398_100015291786 [0,0,0,0,0,2|1,0,0]=3 13474 B13R1.718 CC[C@H](C)CSCc1ccccn1 62a_100000721315_100009816398 [0,0,0,0,0,2|2,0,0]=4 13475 B13R1.718 CC[C@H](C)CSCc1ccccn1 62a_100009816398_100000721315 [0,0,0,0,0,2|2,0,0]=4 13476 B13R1.718 CC[C@H](C)CSCc1cccnc1 62a_100000741622_100009816398 [0,0,0,0,0,2|2,0,0]=4 13477 B13R1.718 CC[C@H](C)CSCc1cccnc1 62a_100009816398_100000741622 [0,0,0,0,0,2|2,0,0]=4 13478 B13R1.718 CC[C@H](C)CSCc1ccncc1 62a_100009816398_100015193705 [0,0,0,0,0,2|2,0,0]=4 13479 B13R1.718 CC[C@H](C)CSCc1ccncc1 62a_100015193705_100009816398 [0,0,0,0,0,2|2,0,0]=4 13480 B13R1.718 CNC(=O)C/C=C/c1ccccc1 11a_106832991635_100011219626 [0,0,0,0,0,2|1,0,1]=4 13481 B13R1.718 CNC(=O)C/C=C/c1ccccc1 1626a_100102657272_100011219626 [0,0,0,0,0,2|1,0,1]=4 13482 B13R1.718 CNC(=O)C/C=C/c1ccccc1 240690a_100102657272_100011219626 [0,0,0,0,0,2|1,0,1]=4 13483 B13R1.718 CNC(=O)CCCc1ccccc1 11a_106832991635_100011207963 [0,0,0,0,0,2|1,0,1]=4 13484 B13R1.718 CNC(=O)CCCc1ccccc1 1626a_100102657272_100011207963 [0,0,0,0,0,2|1,0,1]=4 13485 B13R1.718 CNC(=O)CCCc1ccccc1 240690a_100102657272_100011207963 [0,0,0,0,0,2|1,0,1]=4 13486 B13R1.718 CNC(=O)CCCc1ccccc1 527a_100102657272_100011207963 [0,0,0,0,0,2|1,0,1]=4 13487 B13R1.718 CNC(=O)CCNc1ccccc1 34a_100000106764_100012179268 [0,0,0,0,0,2|1,0,1]=4 13488 B13R1.718 CNC(=O)CCOc1ccccc1 11a_106832991635_100000182761 [0,0,0,0,0,2|1,0,1]=4 13489 B13R1.718 CNC(=O)CCOc1ccccc1 1626a_100102657272_100000182761 [0,0,0,0,0,2|1,0,1]=4 13490 B13R1.718 CNC(=O)CCOc1ccccc1 240690a_100102657272_100000182761 [0,0,0,0,0,2|1,0,1]=4 13491 B13R1.718 CNC(=O)CCOc1ccccc1 34a_100000210340_100012179268 [0,0,0,0,0,2|1,0,1]=4 13492 B13R1.718 CNC(=O)CCOc1ccccc1 7a_100000210340_100000737683 [0,0,0,0,0,2|1,0,1]=4 13493 B13R1.718 CNC(=O)CCSc1ccccc1 11a_106832991635_100000182436 [0,0,0,0,0,2|1,0,1]=4 13494 B13R1.718 CNC(=O)CCSc1ccccc1 1626a_100102657272_100000182436 [0,0,0,0,0,2|1,0,1]=4 13495 B13R1.718 CNC(=O)CCSc1ccccc1 240690a_100102657272_100000182436 [0,0,0,0,0,2|1,0,1]=4 13496 B13R1.718 CNC(=O)CCSc1ccccc1 62a_100000719477_100000737683 [0,0,0,0,0,2|1,0,1]=4 13497 B13R1.718 CNC(=O)CCSc1ccccc1 62a_100000737683_100000041952 [0,0,0,0,0,2|1,0,1]=4 13498 B13R1.718 CNC(=O)CNCc1ccccc1 207a_100000693194_100015611070 [0,0,0,0,0,2|1,0,1]=4 13499 B13R1.718 CNC(=O)CNCc1ccccc1 2230a_100000693194_100015291786 [0,0,0,0,0,2|1,0,1]=4 13500 B13R1.718 CNC(=O)CNCc1ccccc1 2230a_100015324214_100000183359 [0,0,0,0,0,2|1,0,1]=4 13501 B13R1.718 CNC(=O)CNCc1ccccc1 270004a_100000693194_100015611070 [0,0,0,0,0,2|1,0,1]=4 13502 B13R1.718 CNC(=O)CNCc1ccccc1 34a_100015324214_100000183359 [0,0,0,0,0,2|1,0,1]=4 13503 B13R1.718 CNC(=O)COCc1ccccc1 11a_106832991635_100000230186 [0,0,0,0,0,2|1,0,1]=4 13504 B13R1.718 CNC(=O)COCc1ccccc1 1626a_100102657272_100000230186 [0,0,0,0,0,2|1,0,1]=4 13505 B13R1.718 CNC(=O)COCc1ccccc1 240690a_100102657272_100000230186 [0,0,0,0,0,2|1,0,1]=4 13506 B13R1.718 CNC(=O)COCc1ccccc1 34a_100000210790_100000183359 [0,0,0,0,0,2|1,0,1]=4 13507 B13R1.718 CNC(=O)COCc1ccccc1 34a_100000750040_100015291786 [0,0,0,0,0,2|1,0,1]=4 13508 B13R1.718 CNC(=O)COCc1ccccc1 527a_100102657272_100000230186 [0,0,0,0,0,2|1,0,1]=4 13509 B13R1.718 CNC(=O)COCc1ccccc1 7a_100000210790_100000183359 [0,0,0,0,0,2|1,0,1]=4 13510 B13R1.718 CNC(=O)CSCc1ccccc1 11a_106832991635_100000150264 [0,0,0,0,0,2|1,0,1]=4 13511 B13R1.718 CNC(=O)CSCc1ccccc1 1626a_100102657272_100000150264 [0,0,0,0,0,2|1,0,1]=4 13512 B13R1.718 CNC(=O)CSCc1ccccc1 240690a_100102657272_100000150264 [0,0,0,0,0,2|1,0,1]=4 13513 B13R1.718 CNC(=O)CSCc1ccccc1 527a_100102657272_100000150264 [0,0,0,0,0,2|1,0,1]=4 13514 B13R1.718 CNC(=O)CSCc1ccccc1 62a_100000183359_100015291786 [0,0,0,0,0,2|1,0,1]=4 13515 B13R1.718 CNC(=O)CSCc1ccccc1 62a_100000211182_100000183359 [0,0,0,0,0,2|1,0,1]=4 13516 B13R1.718 CNC(=O)NCCc1ccccc1 2708a_100000106460_106832991635 [0,0,0,0,0,2|1,0,1]=4 13517 B13R1.718 CNC(=O)NCCc1ccccc1 2708a_100102657272_100000106460 [0,0,0,0,0,2|1,0,1]=4 13518 B13R1.718 CNC(=O)NCCc1ccccc1 273464a_100000106460_100102657272 [0,0,0,0,0,2|1,0,1]=4 13519 B13R1.718 CNC(=O)NCCc1ccccc1 273464a_100102657272_100000106460 [0,0,0,0,0,2|1,0,1]=4 13520 B13R1.718 CNC(=O)NCCc1ccccc1 512a_100000106460_100102657272 [0,0,0,0,0,2|1,0,1]=4 13521 B13R1.718 CNC(=O)NCCc1ccccc1 512a_106832991638_100000106460 [0,0,0,0,0,2|1,0,1]=4 13522 B13R1.718 CNC(=O)NNCc1ccccc1 273464a_100102657272_100000007032 [0,0,0,0,0,2|1,0,1]=4 13523 B13R1.718 CNC(=O)NNCc1ccccc1 512a_106832991638_100000007032 [0,0,0,0,0,2|1,0,1]=4 13524 B13R1.718 CNC(C)CCCc1ccccc1 2230a_106832991635_200010759516 [0,0,0,0,0,2|0,0,0]=2 13525 B13R1.718 CNC(C)CCCc1ccccc1 34a_100102657272_200010759516 [0,0,0,0,0,2|0,0,0]=2 13526 B13R1.718 CNC(C)CCCc1ccccc1 7a_106832991635_200010759516 [0,0,0,0,0,2|0,0,0]=2 13527 B13R1.718 CNC(C)COCc1ccccc1 270004a_106832991635_100011215004 [0,0,0,0,0,2|0,0,0]=2 13528 B13R1.718 CNC(C)CSCc1ccccc1 270004a_106832991635_100000172147 [0,0,0,0,0,2|0,0,0]=2 13529 B13R1.718 COC(C)CCCc1ccccc1 34a_100138415774_200010759516 [0,0,0,0,0,2|1,0,0]=3 13530 B13R1.718 COC(C)COCc1ccccc1 34a_100000690652_100015291786 [0,0,0,0,0,2|1,0,0]=3 13531 B13R1.718 COC(C)COCc1ccccc1 34a_100000764311_200000210301 [0,0,0,0,0,2|1,0,0]=3 13532 B13R1.718 COC(C)COCc1ccccc1 7a_100000764311_200000210301 [0,0,0,0,0,2|1,0,0]=3 13533 B13R1.718 COC(C)COCc1ccccn1 34a_100000690652_100000721315 [0,0,0,0,0,2|2,0,0]=4 13534 B13R1.718 COC(C)COCc1cccnc1 34a_100000690652_100000733263 [0,0,0,0,0,2|2,0,0]=4 13535 B13R1.718 COC(C)SCCc1ccccc1 62a_100000765856_100009879195 [0,0,0,0,0,2|1,0,0]=3 13536 B13R1.718 COC(C)SCCc1ccccc1 62a_100009879195_100011218657 [0,0,0,0,0,2|1,0,0]=3 13537 B13R1.718 COC(C)SCCc1ccccn1 62a_100009879195_100015183660 [0,0,0,0,0,2|2,0,0]=4 13538 B13R1.718 COC(C)SCCc1ccccn1 62a_100015183660_100009879195 [0,0,0,0,0,2|2,0,0]=4 13539 B13R1.718 COC(C)SCCc1cccnc1 62a_100009879195_200011713674 [0,0,0,0,0,2|2,0,0]=4 13540 B13R1.718 COC(C)SCCc1cccnc1 62a_200011713674_100009879195 [0,0,0,0,0,2|2,0,0]=4 13541 B13R1.718 COC(C)SCCc1ccncc1 62a_100000723409_100009879195 [0,0,0,0,0,2|2,0,0]=4 13542 B13R1.718 COC(C)SCCc1ccncc1 62a_100009879195_100000723409 [0,0,0,0,0,2|2,0,0]=4 13543 B13R1.718 COC(C)SCSc1ccccc1 62a_100009879195_100011218342 [0,0,0,0,0,2|1,0,0]=3 13544 B13R1.718 COC(C)SCSc1ccccc1 62a_100011218342_100009879195 [0,0,0,0,0,2|1,0,0]=3 13545 B13R1.718 CO[C@H](C)CNCc1ccccc1 207a_100020591295_100015611070 [0,0,0,0,0,2|1,0,0]=3 13546 B13R1.718 CO[C@H](C)CNCc1ccccc1 2230a_100020591295_100015291786 [0,0,0,0,0,2|1,0,0]=3 13547 B13R1.718 CO[C@H](C)CNCc1ccccc1 270004a_100020591295_100015611070 [0,0,0,0,0,2|1,0,0]=3 13548 B13R1.718 CO[C@H](C)CNCc1ccccn1 207a_100020591295_100000209966 [0,0,0,0,0,2|2,0,0]=4 13549 B13R1.718 CO[C@H](C)CNCc1ccccn1 2230a_100020591295_100000721315 [0,0,0,0,0,2|2,0,0]=4 13550 B13R1.718 CO[C@H](C)CNCc1ccccn1 270004a_100020591295_100000209966 [0,0,0,0,0,2|2,0,0]=4 13551 B13R1.718 CO[C@H](C)CNCc1cccnc1 207a_100020591295_100000209961 [0,0,0,0,0,2|2,0,0]=4 13552 B13R1.718 CO[C@H](C)CNCc1cccnc1 2230a_100020591295_100000741622 [0,0,0,0,0,2|2,0,0]=4 13553 B13R1.718 CO[C@H](C)CNCc1cccnc1 270004a_100020591295_100000209961 [0,0,0,0,0,2|2,0,0]=4 13554 B13R1.718 CO[C@H](C)CNCc1ccncc1 207a_100020591295_100000186114 [0,0,0,0,0,2|2,0,0]=4 13555 B13R1.718 CO[C@H](C)CNCc1ccncc1 2230a_100020591295_100015193705 [0,0,0,0,0,2|2,0,0]=4 13556 B13R1.718 CSC(C)CCCc1ccccc1 62a_200000210301_200010759516 [0,0,0,0,0,2|1,0,0]=3 13557 B13R1.718 CSC(C)CCCc1ccccc1 62a_200010759516_200000210301 [0,0,0,0,0,2|1,0,0]=3 13558 B13R1.718 C[C@@H](CO)CNCc1ccccc1 2230a_100015324214_100000059175 [0,0,0,0,0,2|2,0,0]=4 13559 B13R1.718 C[C@@H](CO)CNCc1ccccc1 34a_100015324214_100000059175 [0,0,0,0,0,2|2,0,0]=4 13560 B13R1.718 C[C@@H](CO)COCc1ccccc1 34a_100000210790_100000059175 [0,0,0,0,0,2|2,0,0]=4 13561 B13R1.718 C[C@@H](CO)COCc1ccccc1 7a_100000210790_100000059175 [0,0,0,0,0,2|2,0,0]=4 13562 B13R1.718 C[C@@H](CO)CSCc1ccccc1 62a_100000059175_100015291786 [0,0,0,0,0,2|2,0,0]=4 13563 B13R1.718 C[C@@H](CO)CSCc1ccccc1 62a_100000211182_100000059175 [0,0,0,0,0,2|2,0,0]=4 13564 B13R1.718 C[C@H](CO)NCCc1ccccc1 2230a_100000737577_100000765856 [0,0,0,0,0,2|2,0,0]=4 13565 B13R1.718 C[C@H](CO)NCSc1ccccc1 2230a_100000737577_100011218342 [0,0,0,0,0,2|2,0,0]=4 13566 B13R1.718 C[C@H](CO)SCCc1ccccc1 62a_100000765856_100016084084 [0,0,0,0,0,2|2,0,0]=4 13567 B13R1.718 C[C@H](CO)SCCc1ccccc1 62a_100016084084_100011218657 [0,0,0,0,0,2|2,0,0]=4 13568 B13R1.718 C[C@H](CO)SCSc1ccccc1 62a_100011218342_100016084084 [0,0,0,0,0,2|2,0,0]=4 13569 B13R1.718 C[C@H](CO)SCSc1ccccc1 62a_100016084084_100011218342 [0,0,0,0,0,2|2,0,0]=4