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|3,0,1]=4 2 B11R1.40 C#CC(C)Oc1ccccc1 34a_100000210340_200000035995 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.40 C#CC(C)Sc1ccccc1 62a_200000035995_100000041952 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.40 C=CC(=O)Cc1ccccc1 1458a_100000185746_100015291786 [0,0,0,0,0,0|2,0,2]=4 5 B11R1.40 C=CC(C)Sc1ccccc1 62a_100011215867_100000041952 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.40 CC(C#N)Oc1ccccc1 7a_100000210340_100000703298 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.40 CC(C#N)Sc1ccccc1 62a_100000703298_100000041952 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.40 CC(C#N)Sc1ccccc1 62a_100000719477_100000703298 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.40 CC(CO)Nc1ccccc1 34a_100000106764_100012180447 [0,0,0,0,0,0|2,0,0]=2 10 B11R1.40 CC(CO)Oc1ccccc1 34a_100000210340_100012180447 [0,0,0,0,0,0|2,0,0]=2 11 B11R1.40 CC(CO)Oc1ccccc1 7a_100000210340_100012180447 [0,0,0,0,0,0|2,0,0]=2 12 B11R1.40 CC(CO)Oc1cccnc1 34a_100000210849_100012180447 [0,0,0,0,0,0|3,0,0]=3 13 B11R1.40 CC(CO)Oc1cccnc1 7a_100000210849_100012180447 [0,0,0,0,0,0|3,0,0]=3 14 B11R1.40 CC(CO)Oc1ccncc1 34a_100000212176_100012180447 [0,0,0,0,0,0|3,0,0]=3 15 B11R1.40 CC(CO)Oc1ccnnc1 34a_100015204005_100012180447 [0,0,0,0,0,0|4,0,0]=4 16 B11R1.40 CC(CO)Oc1cncnc1 7a_100000754086_100012180447 [0,0,0,0,0,0|4,0,0]=4 17 B11R1.40 CC(CO)Sc1ccccc1 62a_100012180447_100000041952 [0,0,0,0,0,0|2,0,0]=2 18 B11R1.40 CC(CO)Sc1ccccn1 62a_100012180447_100011216584 [0,0,0,0,0,0|3,0,0]=3 19 B11R1.40 CC(CO)Sc1cccnc1 62a_100012180447_100000210063 [0,0,0,0,0,0|3,0,0]=3 20 B11R1.40 CC(CO)Sc1cccnn1 62a_100012180447_100016991348 [0,0,0,0,0,0|4,0,0]=4 21 B11R1.40 CC(CO)Sc1ccncc1 62a_100012180447_100000728582 [0,0,0,0,0,0|3,0,0]=3 22 B11R1.40 CC(CO)Sc1ccncn1 62a_100012180447_100000703185 [0,0,0,0,0,0|4,0,0]=4 23 B11R1.40 CC(CO)Sc1ccnnc1 62a_100012180447_100000732662 [0,0,0,0,0,0|4,0,0]=4 24 B11R1.40 CC(CO)Sc1cnccn1 62a_100012180447_100000211759 [0,0,0,0,0,0|4,0,0]=4 25 B11R1.40 CC(CO)Sc1cncnc1 62a_100012180447_100011206942 [0,0,0,0,0,0|4,0,0]=4 26 B11R1.40 CC(CO)Sc1ncccn1 62a_100012180447_100000211032 [0,0,0,0,0,0|4,0,0]=4 27 B11R1.40 CC(Cc1ccccc1)O[13CH3] 34a_100000748627_200025704644 [0,0,0,0,0,0|3,0,0]=3 28 B11R1.40 CC(Cc1ccccc1)O[13CH3] 7a_100000748627_200025704644 [0,0,0,0,0,0|3,0,0]=3 29 B11R1.40 CC(Cc1ccccc1)S[13CH3] 62a_200011218536_200025704644 [0,0,0,0,0,0|3,0,0]=3 30 B11R1.40 CC(Cc1ccccc1)S[13CH3] 62a_200025704644_200011218536 [0,0,0,0,0,0|3,0,0]=3 31 B11R1.40 CC(Cc1ccccn1)N[13CH3] 2230a_100000238496_200025704644 [0,0,0,0,0,0|4,0,0]=4 32 B11R1.40 CC(Cc1cccnc1)N[13CH3] 2230a_100011207255_200025704644 [0,0,0,0,0,0|4,0,0]=4 33 B11R1.40 CCC(=O)C[n+]1ccccc1 1458a_200000086051_100000210202 [0,0,0,0,0,0|3,0,1]=4 34 B11R1.40 CCC(=O)Cc1ccccc1 1458a_100000210414_100015291786 [0,0,0,0,0,0|2,0,1]=3 35 B11R1.40 CCC(=O)Cc1ccccn1 1458a_100000210414_100000721315 [0,0,0,0,0,0|3,0,1]=4 36 B11R1.40 CCC(=O)Cc1ccccn1 1458a_100000233486_100000210202 [0,0,0,0,0,0|3,0,1]=4 37 B11R1.40 CCC(=O)Cc1cccnc1 1458a_100000210414_100000733263 [0,0,0,0,0,0|3,0,1]=4 38 B11R1.40 CCC(=O)Cc1cccnc1 1458a_100000737805_100000210202 [0,0,0,0,0,0|3,0,1]=4 39 B11R1.40 CCC(=O)Cc1ccncc1 1458a_100000210414_100000705612 [0,0,0,0,0,0|3,0,1]=4 40 B11R1.40 CCC(=O)Nc1ccccc1 11a_100000106764_100000210414 [0,0,0,0,0,0|3,0,1]=4 41 B11R1.40 CCC(=O)Nc1ccccc1 1626a_100000106764_100000210414 [0,0,0,0,0,0|3,0,1]=4 42 B11R1.40 CCC(=O)Nc1ccccc1 22a_100000106764_100000210414 [0,0,0,0,0,0|3,0,1]=4 43 B11R1.40 CCC(=O)Nc1ccccc1 527a_100000106764_100000210414 [0,0,0,0,0,0|3,0,1]=4 44 B11R1.40 CCC(C)Nc1ccccc1 34a_100000106764_100011215416 [0,0,0,0,0,0|3,0,0]=3 45 B11R1.40 CCC(C)Oc1ccccc1 34a_100000210340_100011215416 [0,0,0,0,0,0|3,0,0]=3 46 B11R1.40 CCC(C)Oc1ccccc1 7a_100000210340_100000758301 [0,0,0,0,0,0|3,0,0]=3 47 B11R1.40 CCC(C)Oc1cccnc1 34a_100000210849_100011215416 [0,0,0,0,0,0|4,0,0]=4 48 B11R1.40 CCC(C)Oc1cccnc1 7a_100000210849_100000758301 [0,0,0,0,0,0|4,0,0]=4 49 B11R1.40 CCC(C)Oc1ccncc1 34a_100000212176_100011215416 [0,0,0,0,0,0|4,0,0]=4 50 B11R1.40 CCC(C)Sc1ccccc1 62a_100000719477_100000758301 [0,0,0,0,0,0|3,0,0]=3 51 B11R1.40 CCC(C)Sc1ccccc1 62a_100000758301_100000041952 [0,0,0,0,0,0|3,0,0]=3 52 B11R1.40 CCC(C)Sc1ccccn1 62a_100000758301_100011216584 [0,0,0,0,0,0|4,0,0]=4 53 B11R1.40 CCC(C)Sc1ccccn1 62a_100011216584_100000758301 [0,0,0,0,0,0|4,0,0]=4 54 B11R1.40 CCC(C)Sc1cccnc1 62a_100000210063_100000758301 [0,0,0,0,0,0|4,0,0]=4 55 B11R1.40 CCC(C)Sc1cccnc1 62a_100000758301_100000210063 [0,0,0,0,0,0|4,0,0]=4 56 B11R1.40 CCC(C)Sc1ccncc1 62a_100000728582_100000758301 [0,0,0,0,0,0|4,0,0]=4 57 B11R1.40 CCC(C)Sc1ccncc1 62a_100000758301_100000728582 [0,0,0,0,0,0|4,0,0]=4 58 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000186898_100000210202 [0,0,0,0,0,0|3,0,0]=3 59 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000186914_200000210301 [0,0,0,0,0,0|3,0,0]=3 60 B11R1.40 CCN(C)Cc1ccccc1 2230a_100000225621_100015291786 [0,0,0,0,0,0|3,0,0]=3 61 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000186898_100000204670 [0,0,0,0,0,0|3,0,0]=3 62 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000186914_200000210301 [0,0,0,0,0,0|3,0,0]=3 63 B11R1.40 CCN(C)Cc1ccccc1 269982a_100000225621_100000211182 [0,0,0,0,0,0|3,0,0]=3 64 B11R1.40 CCN(C)Cc1ccccn1 2230a_100000201164_200000210301 [0,0,0,0,0,0|4,0,0]=4 65 B11R1.40 CCN(C)Cc1ccccn1 2230a_100000207498_100000210202 [0,0,0,0,0,0|4,0,0]=4 66 B11R1.40 CCN(C)Cc1ccccn1 2230a_100000225621_100000721315 [0,0,0,0,0,0|4,0,0]=4 67 B11R1.40 CCN(C)Cc1ccccn1 269982a_100000201164_200000210301 [0,0,0,0,0,0|4,0,0]=4 68 B11R1.40 CCN(C)Cc1ccccn1 269982a_100000207498_100000204670 [0,0,0,0,0,0|4,0,0]=4 69 B11R1.40 CCN(C)Cc1ccccn1 269982a_100000225621_100000721315 [0,0,0,0,0,0|4,0,0]=4 70 B11R1.40 CCN(C)Cc1cccnc1 2230a_100000184577_100000210202 [0,0,0,0,0,0|4,0,0]=4 71 B11R1.40 CCN(C)Cc1cccnc1 2230a_100000186920_200000210301 [0,0,0,0,0,0|4,0,0]=4 72 B11R1.40 CCN(C)Cc1cccnc1 2230a_100000225621_100000741622 [0,0,0,0,0,0|4,0,0]=4 73 B11R1.40 CCN(C)Cc1cccnc1 269982a_100000184577_100000204670 [0,0,0,0,0,0|4,0,0]=4 74 B11R1.40 CCN(C)Cc1cccnc1 269982a_100000186920_200000210301 [0,0,0,0,0,0|4,0,0]=4 75 B11R1.40 CCN(C)Cc1cccnc1 269982a_100000225621_100000733263 [0,0,0,0,0,0|4,0,0]=4 76 B11R1.40 CCN(C)Cc1ccncc1 2230a_100000186919_200000210301 [0,0,0,0,0,0|4,0,0]=4 77 B11R1.40 CCN(C)Cc1ccncc1 2230a_100000187231_100000210202 [0,0,0,0,0,0|4,0,0]=4 78 B11R1.40 CCN(C)Cc1ccncc1 2230a_100000225621_100015193705 [0,0,0,0,0,0|4,0,0]=4 79 B11R1.40 CCN(C)Cc1ccncc1 269982a_100000186919_200000210301 [0,0,0,0,0,0|4,0,0]=4 80 B11R1.40 CCN(C)Cc1ccncc1 269982a_100000187231_100000204670 [0,0,0,0,0,0|4,0,0]=4 81 B11R1.40 CCN(C)Cc1ccncc1 269982a_100000225621_100015193705 [0,0,0,0,0,0|4,0,0]=4 82 B11R1.40 CCN([13CH3])Cc1ccccc1 2230a_100000186914_200025704644 [0,0,0,0,0,0|3,0,0]=3 83 B11R1.40 CCN([13CH3])Cc1ccccc1 269982a_100000186914_200025704644 [0,0,0,0,0,0|3,0,0]=3 84 B11R1.40 CCN([13CH3])Cc1ccccn1 2230a_100000201164_200025704644 [0,0,0,0,0,0|4,0,0]=4 85 B11R1.40 CCN([13CH3])Cc1ccccn1 269982a_100000201164_200025704644 [0,0,0,0,0,0|4,0,0]=4 86 B11R1.40 CCN([13CH3])Cc1cccnc1 2230a_100000186920_200025704644 [0,0,0,0,0,0|4,0,0]=4 87 B11R1.40 CCN([13CH3])Cc1cccnc1 269982a_100000186920_200025704644 [0,0,0,0,0,0|4,0,0]=4 88 B11R1.40 CCN([13CH3])Cc1ccncc1 2230a_100000186919_200025704644 [0,0,0,0,0,0|4,0,0]=4 89 B11R1.40 CCN([13CH3])Cc1ccncc1 269982a_100000186919_200025704644 [0,0,0,0,0,0|4,0,0]=4 90 B11R1.40 CN(CF)Cc1ccccc1 269982a_100000186898_100015361967 [0,0,0,0,0,0|3,0,0]=3 91 B11R1.40 CN(CF)Cc1ccccn1 269982a_100000207498_100015361967 [0,0,0,0,0,0|4,0,0]=4 92 B11R1.40 CN(CF)Cc1cccnc1 269982a_100000184577_100015361967 [0,0,0,0,0,0|4,0,0]=4 93 B11R1.40 CN(CF)Cc1ccncc1 269982a_100000187231_100015361967 [0,0,0,0,0,0|4,0,0]=4 94 B11R1.40 CNC(C)C[n+]1ccccc1 270004a_106832991635_100000034229 [0,0,0,0,0,0|4,0,0]=4 95 B11R1.40 CNC(C)Cc1ccccc1 34a_100102657272_200011218536 [0,0,0,0,0,0|3,0,0]=3 96 B11R1.40 CNC(C)Cc1ccccc1 7a_106832991635_200011218536 [0,0,0,0,0,0|3,0,0]=3 97 B11R1.40 CNC(C)Cc1ccccn1 2230a_100000238496_200000210301 [0,0,0,0,0,0|4,0,0]=4 98 B11R1.40 CNC(C)Cc1cccnc1 2230a_100011207255_200000210301 [0,0,0,0,0,0|4,0,0]=4 99 B11R1.40 CNC(C)Cc1cccnc1 270004a_106832991635_100015187140 [0,0,0,0,0,0|4,0,0]=4 100 B11R1.40 CNC(C)Cc1ccncc1 270004a_106832991635_100000238508 [0,0,0,0,0,0|4,0,0]=4 101 B11R1.40 COC(C)Cc1ccccc1 34a_100000748627_200000210301 [0,0,0,0,0,0|3,0,0]=3 102 B11R1.40 COC(C)Cc1ccccc1 34a_100138415774_200011218536 [0,0,0,0,0,0|3,0,0]=3 103 B11R1.40 COC(C)Cc1ccccc1 7a_100000748627_200000210301 [0,0,0,0,0,0|3,0,0]=3 104 B11R1.40 COC(C)Sc1ccccc1 62a_100000719477_100009879195 [0,0,0,0,0,0|4,0,0]=4 105 B11R1.40 COC(C)Sc1ccccc1 62a_100009879195_100000041952 [0,0,0,0,0,0|4,0,0]=4 106 B11R1.40 CSC(C)Cc1ccccc1 62a_200000210301_200011218536 [0,0,0,0,0,0|3,0,0]=3 107 B11R1.40 CSC(C)Cc1ccccc1 62a_200011218536_200000210301 [0,0,0,0,0,0|3,0,0]=3 108 B11R1.40 C[C@H](CO)Nc1cccnn1 27a_100000737577_100016991348 [0,0,0,0,0,0|4,0,0]=4 109 B11R1.40 C[C@H](CO)Nc1ccncn1 27a_100000737577_100000703185 [0,0,0,0,0,0|4,0,0]=4 110 B11R1.40 C[C@H](CO)Nc1cnccn1 27a_100000737577_100000211759 [0,0,0,0,0,0|4,0,0]=4 111 B11R1.40 C[C@H](CO)Nc1ncccn1 27a_100000737577_100000211032 [0,0,0,0,0,0|4,0,0]=4 112 B11R1.40 C[C@H](CO)Sc1ccccc1 62a_100000719477_100016084084 [0,0,0,0,0,0|2,0,0]=2 113 B11R1.40 C[C@H](CO)Sc1ccccc1 62a_100016084084_100000041952 [0,0,0,0,0,0|2,0,0]=2 114 B11R1.40 C[C@H](CO)Sc1ccccn1 62a_100011216584_100016084084 [0,0,0,0,0,0|3,0,0]=3 115 B11R1.40 C[C@H](CO)Sc1ccccn1 62a_100016084084_100011216584 [0,0,0,0,0,0|3,0,0]=3 116 B11R1.40 C[C@H](CO)Sc1cccnc1 62a_100000210063_100016084084 [0,0,0,0,0,0|3,0,0]=3 117 B11R1.40 C[C@H](CO)Sc1cccnc1 62a_100016084084_100000210063 [0,0,0,0,0,0|3,0,0]=3 118 B11R1.40 C[C@H](CO)Sc1cccnn1 62a_100016084084_100016991348 [0,0,0,0,0,0|4,0,0]=4 119 B11R1.40 C[C@H](CO)Sc1cccnn1 62a_100016991348_100016084084 [0,0,0,0,0,0|4,0,0]=4 120 B11R1.40 C[C@H](CO)Sc1ccncc1 62a_100000728582_100016084084 [0,0,0,0,0,0|3,0,0]=3 121 B11R1.40 C[C@H](CO)Sc1ccncc1 62a_100016084084_100000728582 [0,0,0,0,0,0|3,0,0]=3 122 B11R1.40 C[C@H](CO)Sc1ccncn1 62a_100000703185_100016084084 [0,0,0,0,0,0|4,0,0]=4 123 B11R1.40 C[C@H](CO)Sc1ccncn1 62a_100016084084_100000703185 [0,0,0,0,0,0|4,0,0]=4 124 B11R1.40 C[C@H](CO)Sc1ccnnc1 62a_100000732662_100016084084 [0,0,0,0,0,0|4,0,0]=4 125 B11R1.40 C[C@H](CO)Sc1ccnnc1 62a_100016084084_100000732662 [0,0,0,0,0,0|4,0,0]=4 126 B11R1.40 C[C@H](CO)Sc1cnccn1 62a_100000211759_100016084084 [0,0,0,0,0,0|4,0,0]=4 127 B11R1.40 C[C@H](CO)Sc1cnccn1 62a_100016084084_100000211759 [0,0,0,0,0,0|4,0,0]=4 128 B11R1.40 C[C@H](CO)Sc1cncnc1 62a_100011206942_100016084084 [0,0,0,0,0,0|4,0,0]=4 129 B11R1.40 C[C@H](CO)Sc1cncnc1 62a_100016084084_100011206942 [0,0,0,0,0,0|4,0,0]=4 130 B11R1.40 C[C@H](CO)Sc1ncccn1 62a_100000211032_100016084084 [0,0,0,0,0,0|4,0,0]=4 131 B11R1.40 C[C@H](CO)Sc1ncccn1 62a_100016084084_100000211032 [0,0,0,0,0,0|4,0,0]=4 132 B11R1.40 N#CC(F)Sc1ccccc1 62a_100000719477_200000117898 [0,0,0,0,0,0|3,0,1]=4 133 B11R1.40 N#CC(F)Sc1ccccc1 62a_200000117898_100000041952 [0,0,0,0,0,0|3,0,1]=4 134 B11R1.40 O=C(CF)C[n+]1ccccc1 1458a_200000086051_100015361967 [0,0,0,0,0,0|3,0,1]=4 135 B11R1.40 O=C(CF)Cc1ccccn1 1458a_100000233486_100015361967 [0,0,0,0,0,0|3,0,1]=4 136 B11R1.40 O=C(CF)Cc1cccnc1 1458a_100000737805_100015361967 [0,0,0,0,0,0|3,0,1]=4 137 B11R1.40 O=C(CO)Cc1ccccc1 1458a_100000210174_100015291786 [0,0,0,0,0,0|1,0,1]=2 138 B11R1.40 O=C(CO)Cc1ccccn1 1458a_100000210174_100000721315 [0,0,0,0,0,0|2,0,1]=3 139 B11R1.40 O=C(CO)Cc1cccnc1 1458a_100000210174_100000733263 [0,0,0,0,0,0|2,0,1]=3 140 B11R1.40 O=C(CO)Cc1cccnn1 1458a_100000210174_100016990269 [0,0,0,0,0,0|3,0,1]=4 141 B11R1.40 O=C(CO)Cc1ccncc1 1458a_100000210174_100000705612 [0,0,0,0,0,0|2,0,1]=3 142 B11R1.40 O=C(CO)Cc1cnccn1 1458a_100000210174_100016995436 [0,0,0,0,0,0|3,0,1]=4 143 B11R1.40 O=C(CO)Cc1cncnc1 1458a_100000210174_100015196519 [0,0,0,0,0,0|3,0,1]=4 144 B11R1.40 O=C(CO)Cc1ncccn1 1458a_100000210174_100000703007 [0,0,0,0,0,0|3,0,1]=4 145 B11R1.40 O=C(CO)Nc1ccccc1 22a_100000106764_100000210174 [0,0,0,0,0,0|2,0,1]=3 146 B11R1.40 O=C(CO)Nc1ccccc1 527a_100000106764_100000210174 [0,0,0,0,0,0|2,0,1]=3 147 B10R1.17 C#CCNc1ccccc1 34a_100000106764_100000184674 [1,0,0,0,0,0|2,0,1]=4 148 B10R1.17 C#CCOc1ccccc1 34a_100000210340_100000184674 [1,0,0,0,0,0|2,0,1]=4 149 B10R1.17 C#CCOc1ccccc1 7a_100000210340_100000038162 [1,0,0,0,0,0|2,0,1]=4 150 B10R1.17 C#CCSc1ccccc1 62a_100000038162_100000041952 [1,0,0,0,0,0|2,0,1]=4 151 B10R1.17 C=CCNc1ccccc1 34a_100000106764_100015514636 [1,0,0,0,0,0|2,0,1]=4 152 B10R1.17 C=CCOc1ccccc1 34a_100000210340_100015514636 [1,0,0,0,0,0|2,0,1]=4 153 B10R1.17 C=CCOc1ccccc1 7a_100000210340_100015514636 [1,0,0,0,0,0|2,0,1]=4 154 B10R1.17 C=CCSc1ccccc1 62a_100000210623_100000041952 [1,0,0,0,0,0|2,0,1]=4 155 B10R1.17 C=CCSc1ccccc1 62a_100000719477_100000210623 [1,0,0,0,0,0|2,0,1]=4 156 B10R1.17 CCCCc1ccccc1 271570a_100020621405_100000210277 [1,0,0,0,0,0|1,0,0]=2 157 B10R1.17 CCCCc1ccccn1 271570a_100020621405_100011216584 [1,0,0,0,0,0|2,0,0]=3 158 B10R1.17 CCCCc1cccnc1 271570a_100020621405_100000752921 [1,0,0,0,0,0|2,0,0]=3 159 B10R1.17 CCCCc1cccnn1 271570a_100020621405_100016991348 [1,0,0,0,0,0|3,0,0]=4 160 B10R1.17 CCCCc1ccncc1 271570a_100020621405_100000035832 [1,0,0,0,0,0|2,0,0]=3 161 B10R1.17 CCCCc1ccncn1 271570a_100020621405_100000703185 [1,0,0,0,0,0|3,0,0]=4 162 B10R1.17 CCCCc1ccnnc1 271570a_100020621405_100000732662 [1,0,0,0,0,0|3,0,0]=4 163 B10R1.17 CCCCc1cnccn1 271570a_100020621405_100000758340 [1,0,0,0,0,0|3,0,0]=4 164 B10R1.17 CCCCc1cncnc1 271570a_100020621405_100011206942 [1,0,0,0,0,0|3,0,0]=4 165 B10R1.17 CCCCc1ncccn1 271570a_100020621405_100000211032 [1,0,0,0,0,0|3,0,0]=4 166 B10R1.17 CCCNc1ccccc1 34a_100000106764_100000210303 [1,0,0,0,0,0|2,0,0]=3 167 B10R1.17 CCCOc1ccccc1 34a_100000210340_100000210303 [1,0,0,0,0,0|2,0,0]=3 168 B10R1.17 CCCOc1ccccc1 7a_100000210340_100000210303 [1,0,0,0,0,0|2,0,0]=3 169 B10R1.17 CCCOc1cccnc1 34a_100000210849_100000210303 [1,0,0,0,0,0|3,0,0]=4 170 B10R1.17 CCCOc1cccnc1 7a_100000210849_100000210303 [1,0,0,0,0,0|3,0,0]=4 171 B10R1.17 CCCOc1ccncc1 34a_100000212176_100000210303 [1,0,0,0,0,0|3,0,0]=4 172 B10R1.17 CCCSc1ccccc1 62a_100000210303_100000041952 [1,0,0,0,0,0|2,0,0]=3 173 B10R1.17 CCCSc1ccccc1 62a_100000719477_100000210303 [1,0,0,0,0,0|2,0,0]=3 174 B10R1.17 CCCSc1ccccn1 62a_100000210303_100011216584 [1,0,0,0,0,0|3,0,0]=4 175 B10R1.17 CCCSc1ccccn1 62a_100011216584_100000210303 [1,0,0,0,0,0|3,0,0]=4 176 B10R1.17 CCCSc1cccnc1 62a_100000210063_100000210303 [1,0,0,0,0,0|3,0,0]=4 177 B10R1.17 CCCSc1cccnc1 62a_100000210303_100000210063 [1,0,0,0,0,0|3,0,0]=4 178 B10R1.17 CCCSc1ccncc1 62a_100000210303_100000728582 [1,0,0,0,0,0|3,0,0]=4 179 B10R1.17 CCCSc1ccncc1 62a_100000728582_100000210303 [1,0,0,0,0,0|3,0,0]=4 180 B10R1.17 CCNCc1ccccc1 207a_100015525214_100015611070 [1,0,0,0,0,0|2,0,0]=3 181 B10R1.17 CCNCc1ccccc1 2230a_100015324214_100000210202 [1,0,0,0,0,0|2,0,0]=3 182 B10R1.17 CCNCc1ccccc1 2230a_100015525214_100015291786 [1,0,0,0,0,0|2,0,0]=3 183 B10R1.17 CCNCc1ccccc1 270004a_100015525214_100015611070 [1,0,0,0,0,0|2,0,0]=3 184 B10R1.17 CCNCc1ccccc1 34a_100015324214_100000210202 [1,0,0,0,0,0|2,0,0]=3 185 B10R1.17 CCNCc1ccccn1 207a_100015525214_100000209966 [1,0,0,0,0,0|3,0,0]=4 186 B10R1.17 CCNCc1ccccn1 2230a_100015525214_100000721315 [1,0,0,0,0,0|3,0,0]=4 187 B10R1.17 CCNCc1ccccn1 270004a_100015525214_100000209966 [1,0,0,0,0,0|3,0,0]=4 188 B10R1.17 CCNCc1cccnc1 207a_100015525214_100000209961 [1,0,0,0,0,0|3,0,0]=4 189 B10R1.17 CCNCc1cccnc1 2230a_100015525214_100000741622 [1,0,0,0,0,0|3,0,0]=4 190 B10R1.17 CCNCc1cccnc1 270004a_100015525214_100000209961 [1,0,0,0,0,0|3,0,0]=4 191 B10R1.17 CCNCc1ccncc1 207a_100015525214_100000186114 [1,0,0,0,0,0|3,0,0]=4 192 B10R1.17 CCNCc1ccncc1 2230a_100015525214_100015193705 [1,0,0,0,0,0|3,0,0]=4 193 B10R1.17 CCOCc1ccccc1 34a_100000210790_100000210202 [1,0,0,0,0,0|2,0,0]=3 194 B10R1.17 CCOCc1ccccc1 34a_100121572206_100015291786 [1,0,0,0,0,0|2,0,0]=3 195 B10R1.17 CCOCc1ccccc1 7a_100000210790_100000210202 [1,0,0,0,0,0|2,0,0]=3 196 B10R1.17 CCOCc1ccccn1 34a_100121572206_100000721315 [1,0,0,0,0,0|3,0,0]=4 197 B10R1.17 CCOCc1cccnc1 34a_100121572206_100000733263 [1,0,0,0,0,0|3,0,0]=4 198 B10R1.17 CCSCc1ccccc1 62a_100000210202_100015291786 [1,0,0,0,0,0|2,0,0]=3 199 B10R1.17 CCSCc1ccccc1 62a_100000211182_100000210202 [1,0,0,0,0,0|2,0,0]=3 200 B10R1.17 CCSCc1ccccn1 62a_100000210202_100000721315 [1,0,0,0,0,0|3,0,0]=4 201 B10R1.17 CCSCc1ccccn1 62a_100000721315_100000210202 [1,0,0,0,0,0|3,0,0]=4 202 B10R1.17 CCSCc1cccnc1 62a_100000210202_100000741622 [1,0,0,0,0,0|3,0,0]=4 203 B10R1.17 CCSCc1cccnc1 62a_100000741622_100000210202 [1,0,0,0,0,0|3,0,0]=4 204 B10R1.17 CCSCc1ccncc1 62a_100000210202_100015193705 [1,0,0,0,0,0|3,0,0]=4 205 B10R1.17 CCSCc1ccncc1 62a_100015193705_100000210202 [1,0,0,0,0,0|3,0,0]=4 206 B10R1.17 CNCCc1ccccc1 2230a_100000106460_200000210301 [1,0,0,0,0,0|2,0,0]=3 207 B10R1.17 CNCCc1ccccc1 2230a_106832991635_100000765856 [1,0,0,0,0,0|2,0,0]=3 208 B10R1.17 CNCCc1ccccc1 34a_100000106460_200000210301 [1,0,0,0,0,0|2,0,0]=3 209 B10R1.17 CNCCc1ccccc1 34a_100102657272_100000765856 [1,0,0,0,0,0|2,0,0]=3 210 B10R1.17 CNCCc1ccccc1 7a_106832991635_100000765856 [1,0,0,0,0,0|2,0,0]=3 211 B10R1.17 CNCCc1ccccn1 2230a_106832991635_100015183660 [1,0,0,0,0,0|3,0,0]=4 212 B10R1.17 CNCCc1ccccn1 7a_106832991635_100015183660 [1,0,0,0,0,0|3,0,0]=4 213 B10R1.17 CNCCc1cccnc1 2230a_100000736294_200000210301 [1,0,0,0,0,0|3,0,0]=4 214 B10R1.17 CNCCc1cccnc1 2230a_106832991635_200011713674 [1,0,0,0,0,0|3,0,0]=4 215 B10R1.17 CNCCc1cccnc1 7a_106832991635_200011713674 [1,0,0,0,0,0|3,0,0]=4 216 B10R1.17 CNCCc1ccncc1 2230a_106832991635_100000723409 [1,0,0,0,0,0|3,0,0]=4 217 B10R1.17 CNCCc1ccncc1 7a_106832991635_100000723409 [1,0,0,0,0,0|3,0,0]=4 218 B10R1.17 CNCSc1ccccc1 2230a_106832991635_100011218342 [1,0,0,0,0,0|3,0,0]=4 219 B10R1.17 COCCc1ccccc1 34a_100000210268_200000210301 [1,0,0,0,0,0|2,0,0]=3 220 B10R1.17 COCCc1ccccc1 34a_100138415774_100000765856 [1,0,0,0,0,0|2,0,0]=3 221 B10R1.17 COCCc1ccccc1 7a_100000210268_200000210301 [1,0,0,0,0,0|2,0,0]=3 222 B10R1.17 COCCc1ccccn1 34a_100000210271_200000210301 [1,0,0,0,0,0|3,0,0]=4 223 B10R1.17 COCCc1cccnc1 34a_100011217484_200000210301 [1,0,0,0,0,0|3,0,0]=4 224 B10R1.17 COCCc1ccncc1 34a_100011216225_200000210301 [1,0,0,0,0,0|3,0,0]=4 225 B10R1.17 COCSc1ccccc1 62a_100000719477_100000766300 [1,0,0,0,0,0|3,0,0]=4 226 B10R1.17 COCSc1ccccc1 62a_100000766300_100000041952 [1,0,0,0,0,0|3,0,0]=4 227 B10R1.17 CSCCc1ccccc1 62a_100000765856_200000210301 [1,0,0,0,0,0|2,0,0]=3 228 B10R1.17 CSCCc1ccccc1 62a_200000210301_100011218657 [1,0,0,0,0,0|2,0,0]=3 229 B10R1.17 CSCCc1ccccn1 62a_100015183660_200000210301 [1,0,0,0,0,0|3,0,0]=4 230 B10R1.17 CSCCc1ccccn1 62a_200000210301_100015183660 [1,0,0,0,0,0|3,0,0]=4 231 B10R1.17 CSCCc1cccnc1 62a_200000210301_200011713674 [1,0,0,0,0,0|3,0,0]=4 232 B10R1.17 CSCCc1cccnc1 62a_200011713674_200000210301 [1,0,0,0,0,0|3,0,0]=4 233 B10R1.17 CSCCc1ccncc1 62a_100000723409_200000210301 [1,0,0,0,0,0|3,0,0]=4 234 B10R1.17 CSCCc1ccncc1 62a_200000210301_100000723409 [1,0,0,0,0,0|3,0,0]=4 235 B10R1.17 CSCNc1ccccc1 34a_100000106764_100011218213 [1,0,0,0,0,0|3,0,0]=4 236 B10R1.17 CSCOc1ccccc1 34a_100000210340_100011218213 [1,0,0,0,0,0|3,0,0]=4 237 B10R1.17 CSCSc1ccccc1 62a_100000719477_100011218213 [1,0,0,0,0,0|3,0,0]=4 238 B10R1.17 CSCSc1ccccc1 62a_100011218213_100000041952 [1,0,0,0,0,0|3,0,0]=4 239 B10R1.17 CSCSc1ccccc1 62a_100011218342_200000210301 [1,0,0,0,0,0|3,0,0]=4 240 B10R1.17 CSCSc1ccccc1 62a_200000210301_100011218342 [1,0,0,0,0,0|3,0,0]=4 241 B10R1.17 FCCNc1ccccc1 34a_100000106764_100011217306 [1,0,0,0,0,0|2,0,0]=3 242 B10R1.17 FCCOc1ccccc1 34a_100000210340_100011217306 [1,0,0,0,0,0|2,0,0]=3 243 B10R1.17 FCCOc1ccccc1 7a_100000210340_100011217306 [1,0,0,0,0,0|2,0,0]=3 244 B10R1.17 FCCOc1cccnc1 34a_100000210849_100011217306 [1,0,0,0,0,0|3,0,0]=4 245 B10R1.17 FCCOc1cccnc1 7a_100000210849_100011217306 [1,0,0,0,0,0|3,0,0]=4 246 B10R1.17 FCCOc1ccncc1 34a_100000212176_100011217306 [1,0,0,0,0,0|3,0,0]=4 247 B10R1.17 FCCSc1ccccc1 62a_100000719477_100011217306 [1,0,0,0,0,0|2,0,0]=3 248 B10R1.17 FCCSc1ccccc1 62a_100011217306_100000041952 [1,0,0,0,0,0|2,0,0]=3 249 B10R1.17 FCCSc1ccccn1 62a_100011216584_100011217306 [1,0,0,0,0,0|3,0,0]=4 250 B10R1.17 FCCSc1ccccn1 62a_100011217306_100011216584 [1,0,0,0,0,0|3,0,0]=4 251 B10R1.17 FCCSc1cccnc1 62a_100000210063_100011217306 [1,0,0,0,0,0|3,0,0]=4 252 B10R1.17 FCCSc1cccnc1 62a_100011217306_100000210063 [1,0,0,0,0,0|3,0,0]=4 253 B10R1.17 FCCSc1ccncc1 62a_100000728582_100011217306 [1,0,0,0,0,0|3,0,0]=4 254 B10R1.17 FCCSc1ccncc1 62a_100011217306_100000728582 [1,0,0,0,0,0|3,0,0]=4 255 B10R1.17 FCNCc1ccccc1 34a_100015324214_100015361967 [1,0,0,0,0,0|2,0,0]=3 256 B10R1.17 FCOCc1ccccc1 34a_100000210790_100015361967 [1,0,0,0,0,0|2,0,0]=3 257 B10R1.17 FCOCc1ccccc1 7a_100000210790_100015361967 [1,0,0,0,0,0|2,0,0]=3 258 B10R1.17 FCSCc1ccccc1 62a_100000211182_100015361967 [1,0,0,0,0,0|2,0,0]=3 259 B10R1.17 FCSCc1ccccc1 62a_100015361967_100015291786 [1,0,0,0,0,0|2,0,0]=3 260 B10R1.17 FCSCc1ccccn1 62a_100000721315_100015361967 [1,0,0,0,0,0|3,0,0]=4 261 B10R1.17 FCSCc1ccccn1 62a_100015361967_100000721315 [1,0,0,0,0,0|3,0,0]=4 262 B10R1.17 FCSCc1cccnc1 62a_100000741622_100015361967 [1,0,0,0,0,0|3,0,0]=4 263 B10R1.17 FCSCc1cccnc1 62a_100015361967_100000741622 [1,0,0,0,0,0|3,0,0]=4 264 B10R1.17 FCSCc1ccncc1 62a_100015193705_100015361967 [1,0,0,0,0,0|3,0,0]=4 265 B10R1.17 FCSCc1ccncc1 62a_100015361967_100015193705 [1,0,0,0,0,0|3,0,0]=4 266 B10R1.17 N#CCOc1ccccc1 7a_100000210340_100011215382 [1,0,0,0,0,0|2,0,1]=4 267 B10R1.17 N#CCSc1ccccc1 62a_100000719477_100011215382 [1,0,0,0,0,0|2,0,1]=4 268 B10R1.17 N#CCSc1ccccc1 62a_100011215382_100000041952 [1,0,0,0,0,0|2,0,1]=4 269 B10R1.17 O=CCNc1ccccc1 34a_100000106764_200009817547 [1,0,0,0,0,0|1,0,2]=4 270 B10R1.17 O=CCOc1ccccc1 34a_100000210340_200009817547 [1,0,0,0,0,0|1,0,2]=4 271 B10R1.17 O=CCOc1ccccc1 7a_100000210340_200015260668 [1,0,0,0,0,0|1,0,2]=4 272 B10R1.17 O=CCSc1ccccc1 62a_100000719477_200015260668 [1,0,0,0,0,0|1,0,2]=4 273 B10R1.17 O=CCSc1ccccc1 62a_200015260668_100000041952 [1,0,0,0,0,0|1,0,2]=4 274 B10R1.17 OCCNc1ccccc1 34a_100000106764_100000211926 [1,0,0,0,0,0|1,0,0]=2 275 B10R1.17 OCCNc1cccnn1 27a_100000210304_100016991348 [1,0,0,0,0,0|3,0,0]=4 276 B10R1.17 OCCNc1ccncn1 27a_100000210304_100000703185 [1,0,0,0,0,0|3,0,0]=4 277 B10R1.17 OCCNc1cnccn1 27a_100000210304_100000211759 [1,0,0,0,0,0|3,0,0]=4 278 B10R1.17 OCCNc1ncccn1 27a_100000210304_100000211032 [1,0,0,0,0,0|3,0,0]=4 279 B10R1.17 OCCOc1ccccc1 34a_100000210340_100000211926 [1,0,0,0,0,0|1,0,0]=2 280 B10R1.17 OCCOc1ccccc1 7a_100000210340_100000211926 [1,0,0,0,0,0|1,0,0]=2 281 B10R1.17 OCCOc1cccnc1 34a_100000210849_100000211926 [1,0,0,0,0,0|2,0,0]=3 282 B10R1.17 OCCOc1cccnc1 7a_100000210849_100000211926 [1,0,0,0,0,0|2,0,0]=3 283 B10R1.17 OCCOc1ccncc1 34a_100000212176_100000211926 [1,0,0,0,0,0|2,0,0]=3 284 B10R1.17 OCCOc1ccnnc1 34a_100015204005_100000211926 [1,0,0,0,0,0|3,0,0]=4 285 B10R1.17 OCCOc1cncnc1 7a_100000754086_100000211926 [1,0,0,0,0,0|3,0,0]=4 286 B10R1.17 OCCSc1ccccc1 62a_100000211926_100000041952 [1,0,0,0,0,0|1,0,0]=2 287 B10R1.17 OCCSc1ccccc1 62a_100000719477_100000211926 [1,0,0,0,0,0|1,0,0]=2 288 B10R1.17 OCCSc1ccccn1 62a_100000211926_100011216584 [1,0,0,0,0,0|2,0,0]=3 289 B10R1.17 OCCSc1ccccn1 62a_100011216584_100000211926 [1,0,0,0,0,0|2,0,0]=3 290 B10R1.17 OCCSc1cccnc1 62a_100000210063_100000211926 [1,0,0,0,0,0|2,0,0]=3 291 B10R1.17 OCCSc1cccnc1 62a_100000211926_100000210063 [1,0,0,0,0,0|2,0,0]=3 292 B10R1.17 OCCSc1cccnn1 62a_100000211926_100016991348 [1,0,0,0,0,0|3,0,0]=4 293 B10R1.17 OCCSc1cccnn1 62a_100016991348_100000211926 [1,0,0,0,0,0|3,0,0]=4 294 B10R1.17 OCCSc1ccncc1 62a_100000211926_100000728582 [1,0,0,0,0,0|2,0,0]=3 295 B10R1.17 OCCSc1ccncc1 62a_100000728582_100000211926 [1,0,0,0,0,0|2,0,0]=3 296 B10R1.17 OCCSc1ccncn1 62a_100000211926_100000703185 [1,0,0,0,0,0|3,0,0]=4 297 B10R1.17 OCCSc1ccncn1 62a_100000703185_100000211926 [1,0,0,0,0,0|3,0,0]=4 298 B10R1.17 OCCSc1ccnnc1 62a_100000211926_100000732662 [1,0,0,0,0,0|3,0,0]=4 299 B10R1.17 OCCSc1ccnnc1 62a_100000732662_100000211926 [1,0,0,0,0,0|3,0,0]=4 300 B10R1.17 OCCSc1cnccn1 62a_100000211759_100000211926 [1,0,0,0,0,0|3,0,0]=4 301 B10R1.17 OCCSc1cnccn1 62a_100000211926_100000211759 [1,0,0,0,0,0|3,0,0]=4 302 B10R1.17 OCCSc1cncnc1 62a_100000211926_100011206942 [1,0,0,0,0,0|3,0,0]=4 303 B10R1.17 OCCSc1cncnc1 62a_100011206942_100000211926 [1,0,0,0,0,0|3,0,0]=4 304 B10R1.17 OCCSc1ncccn1 62a_100000211032_100000211926 [1,0,0,0,0,0|3,0,0]=4 305 B10R1.17 OCCSc1ncccn1 62a_100000211926_100000211032 [1,0,0,0,0,0|3,0,0]=4 306 B10R1.17 [13CH3]NCCc1ccccc1 2230a_100000106460_200025704644 [1,0,0,0,0,0|2,0,0]=3 307 B10R1.17 [13CH3]NCCc1ccccc1 34a_100000106460_200025704644 [1,0,0,0,0,0|2,0,0]=3 308 B10R1.17 [13CH3]NCCc1cccnc1 2230a_100000736294_200025704644 [1,0,0,0,0,0|3,0,0]=4 309 B10R1.17 [13CH3]OCCc1ccccc1 34a_100000210268_200025704644 [1,0,0,0,0,0|2,0,0]=3 310 B10R1.17 [13CH3]OCCc1ccccc1 7a_100000210268_200025704644 [1,0,0,0,0,0|2,0,0]=3 311 B10R1.17 [13CH3]OCCc1ccccn1 34a_100000210271_200025704644 [1,0,0,0,0,0|3,0,0]=4 312 B10R1.17 [13CH3]OCCc1cccnc1 34a_100011217484_200025704644 [1,0,0,0,0,0|3,0,0]=4 313 B10R1.17 [13CH3]OCCc1ccncc1 34a_100011216225_200025704644 [1,0,0,0,0,0|3,0,0]=4 314 B10R1.17 [13CH3]SCCc1ccccc1 62a_100000765856_200025704644 [1,0,0,0,0,0|2,0,0]=3 315 B10R1.17 [13CH3]SCCc1ccccc1 62a_200025704644_100011218657 [1,0,0,0,0,0|2,0,0]=3 316 B10R1.17 [13CH3]SCCc1ccccn1 62a_100015183660_200025704644 [1,0,0,0,0,0|3,0,0]=4 317 B10R1.17 [13CH3]SCCc1ccccn1 62a_200025704644_100015183660 [1,0,0,0,0,0|3,0,0]=4 318 B10R1.17 [13CH3]SCCc1cccnc1 62a_200011713674_200025704644 [1,0,0,0,0,0|3,0,0]=4 319 B10R1.17 [13CH3]SCCc1cccnc1 62a_200025704644_200011713674 [1,0,0,0,0,0|3,0,0]=4 320 B10R1.17 [13CH3]SCCc1ccncc1 62a_100000723409_200025704644 [1,0,0,0,0,0|3,0,0]=4 321 B10R1.17 [13CH3]SCCc1ccncc1 62a_200025704644_100000723409 [1,0,0,0,0,0|3,0,0]=4 322 B10R1.17 [13CH3]SCSc1ccccc1 62a_100011218342_200025704644 [1,0,0,0,0,0|3,0,0]=4 323 B10R1.17 [13CH3]SCSc1ccccc1 62a_200025704644_100011218342 [1,0,0,0,0,0|3,0,0]=4 324 B10R1.18 CC(=Cc1ccccc1)C 271570a_100102525489_100000210277 [1,0,0,0,0,0|1,0,2]=4 325 B10R1.18 CC(=O)C[n+]1ccccc1 1458a_200000086051_200000210301 [1,0,0,0,0,0|2,0,1]=4 326 B10R1.18 CC(=O)Cc1ccccc1 1458a_100000070787_100015291786 [1,0,0,0,0,0|1,0,1]=3 327 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000070787_100000721315 [1,0,0,0,0,0|2,0,1]=4 328 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000233486_200000210301 [1,0,0,0,0,0|2,0,1]=4 329 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000070787_100000733263 [1,0,0,0,0,0|2,0,1]=4 330 B10R1.18 CC(=O)Cc1cccnc1 1458a_100000737805_200000210301 [1,0,0,0,0,0|2,0,1]=4 331 B10R1.18 CC(=O)Cc1ccncc1 1458a_100000070787_100000705612 [1,0,0,0,0,0|2,0,1]=4 332 B10R1.18 CC(=O)Nc1ccccc1 11a_100000106764_100015343762 [1,0,0,0,0,0|2,0,1]=4 333 B10R1.18 CC(=O)Nc1ccccc1 1626a_100000106764_100015343762 [1,0,0,0,0,0|2,0,1]=4 334 B10R1.18 CC(=O)Nc1ccccc1 22a_100000106764_100000070787 [1,0,0,0,0,0|2,0,1]=4 335 B10R1.18 CC(=O)Nc1ccccc1 527a_100000106764_100103153847 [1,0,0,0,0,0|2,0,1]=4 336 B10R1.18 CC(C)Nc1ccccc1 34a_100000106764_100000210206 [1,0,0,0,0,0|2,0,0]=3 337 B10R1.18 CC(C)Oc1ccccc1 34a_100000210340_100000210206 [1,0,0,0,0,0|2,0,0]=3 338 B10R1.18 CC(C)Oc1ccccc1 7a_100000210340_100000210206 [1,0,0,0,0,0|2,0,0]=3 339 B10R1.18 CC(C)Oc1cccnc1 34a_100000210849_100000210206 [1,0,0,0,0,0|3,0,0]=4 340 B10R1.18 CC(C)Oc1cccnc1 7a_100000210849_100000210206 [1,0,0,0,0,0|3,0,0]=4 341 B10R1.18 CC(C)Oc1ccncc1 34a_100000212176_100000210206 [1,0,0,0,0,0|3,0,0]=4 342 B10R1.18 CC(C)Sc1ccccc1 62a_100000210206_100000041952 [1,0,0,0,0,0|2,0,0]=3 343 B10R1.18 CC(C)Sc1ccccc1 62a_100000719477_100000210206 [1,0,0,0,0,0|2,0,0]=3 344 B10R1.18 CC(C)Sc1ccccn1 62a_100000210206_100011216584 [1,0,0,0,0,0|3,0,0]=4 345 B10R1.18 CC(C)Sc1ccccn1 62a_100011216584_100000210206 [1,0,0,0,0,0|3,0,0]=4 346 B10R1.18 CC(C)Sc1cccnc1 62a_100000210063_100000210206 [1,0,0,0,0,0|3,0,0]=4 347 B10R1.18 CC(C)Sc1cccnc1 62a_100000210206_100000210063 [1,0,0,0,0,0|3,0,0]=4 348 B10R1.18 CC(C)Sc1ccncc1 62a_100000210206_100000728582 [1,0,0,0,0,0|3,0,0]=4 349 B10R1.18 CC(C)Sc1ccncc1 62a_100000728582_100000210206 [1,0,0,0,0,0|3,0,0]=4 350 B10R1.18 CN(C)Cc1ccccc1 2230a_100000186898_200000210301 [1,0,0,0,0,0|2,0,0]=3 351 B10R1.18 CN(C)Cc1ccccc1 2230a_100102631434_100015291786 [1,0,0,0,0,0|2,0,0]=3 352 B10R1.18 CN(C)Cc1ccccc1 269982a_100000186898_200000210301 [1,0,0,0,0,0|2,0,0]=3 353 B10R1.18 CN(C)Cc1ccccc1 269982a_100102631434_100000211182 [1,0,0,0,0,0|2,0,0]=3 354 B10R1.18 CN(C)Cc1ccccc1 270004a_100102631434_100015611070 [1,0,0,0,0,0|2,0,0]=3 355 B10R1.18 CN(C)Cc1ccccn1 2230a_100000207498_200000210301 [1,0,0,0,0,0|3,0,0]=4 356 B10R1.18 CN(C)Cc1ccccn1 2230a_100102631434_100000721315 [1,0,0,0,0,0|3,0,0]=4 357 B10R1.18 CN(C)Cc1ccccn1 269982a_100000207498_200000210301 [1,0,0,0,0,0|3,0,0]=4 358 B10R1.18 CN(C)Cc1ccccn1 269982a_100102631434_100000721315 [1,0,0,0,0,0|3,0,0]=4 359 B10R1.18 CN(C)Cc1ccccn1 270004a_100102631434_100000209966 [1,0,0,0,0,0|3,0,0]=4 360 B10R1.18 CN(C)Cc1cccnc1 2230a_100000184577_200000210301 [1,0,0,0,0,0|3,0,0]=4 361 B10R1.18 CN(C)Cc1cccnc1 2230a_100102631434_100000741622 [1,0,0,0,0,0|3,0,0]=4 362 B10R1.18 CN(C)Cc1cccnc1 269982a_100000184577_200000210301 [1,0,0,0,0,0|3,0,0]=4 363 B10R1.18 CN(C)Cc1cccnc1 269982a_100102631434_100000733263 [1,0,0,0,0,0|3,0,0]=4 364 B10R1.18 CN(C)Cc1cccnc1 270004a_100102631434_100000209961 [1,0,0,0,0,0|3,0,0]=4 365 B10R1.18 CN(C)Cc1ccncc1 2230a_100000187231_200000210301 [1,0,0,0,0,0|3,0,0]=4 366 B10R1.18 CN(C)Cc1ccncc1 2230a_100102631434_100015193705 [1,0,0,0,0,0|3,0,0]=4 367 B10R1.18 CN(C)Cc1ccncc1 269982a_100000187231_200000210301 [1,0,0,0,0,0|3,0,0]=4 368 B10R1.18 CN(C)Cc1ccncc1 269982a_100102631434_100015193705 [1,0,0,0,0,0|3,0,0]=4 369 B10R1.18 CN([13CH3])Cc1ccccc1 2230a_100000186898_200025704644 [1,0,0,0,0,0|2,0,0]=3 370 B10R1.18 CN([13CH3])Cc1ccccc1 269982a_100000186898_200025704644 [1,0,0,0,0,0|2,0,0]=3 371 B10R1.18 CN([13CH3])Cc1ccccn1 2230a_100000207498_200025704644 [1,0,0,0,0,0|3,0,0]=4 372 B10R1.18 CN([13CH3])Cc1ccccn1 269982a_100000207498_200025704644 [1,0,0,0,0,0|3,0,0]=4 373 B10R1.18 CN([13CH3])Cc1cccnc1 2230a_100000184577_200025704644 [1,0,0,0,0,0|3,0,0]=4 374 B10R1.18 CN([13CH3])Cc1cccnc1 269982a_100000184577_200025704644 [1,0,0,0,0,0|3,0,0]=4 375 B10R1.18 CN([13CH3])Cc1ccncc1 2230a_100000187231_200025704644 [1,0,0,0,0,0|3,0,0]=4 376 B10R1.18 CN([13CH3])Cc1ccncc1 269982a_100000187231_200025704644 [1,0,0,0,0,0|3,0,0]=4 377 B10R1.18 [13CH3]C(=O)C[n+]1ccccc1 1458a_200000086051_200025704644 [1,0,0,0,0,0|2,0,1]=4 378 B10R1.18 [13CH3]C(=O)Cc1ccccn1 1458a_100000233486_200025704644 [1,0,0,0,0,0|2,0,1]=4 379 B10R1.18 [13CH3]C(=O)Cc1cccnc1 1458a_100000737805_200025704644 [1,0,0,0,0,0|2,0,1]=4 380 B12R1.32 C#CCC(=O)Cc1ccccc1 1458a_100011220946_100015291786 [0,1,0,0,0,0|2,0,1]=4 381 B12R1.32 C#CCN(C)Cc1ccccc1 2230a_100000186898_100000038162 [0,1,0,0,0,0|3,0,0]=4 382 B12R1.32 C#CCN(C)Cc1ccccc1 2230a_100000225692_100015291786 [0,1,0,0,0,0|3,0,0]=4 383 B12R1.32 C#CCN(C)Cc1ccccc1 2230a_100000730907_200000210301 [0,1,0,0,0,0|3,0,0]=4 384 B12R1.32 C#CCN(C)Cc1ccccc1 269982a_100000730907_200000210301 [0,1,0,0,0,0|3,0,0]=4 385 B12R1.32 C#CCN(C)Cc1ccccc1 270004a_100000225692_100015611070 [0,1,0,0,0,0|3,0,0]=4 386 B12R1.32 C#CCN(C)Cc1ccccc1 34a_100000225692_100015291786 [0,1,0,0,0,0|3,0,0]=4 387 B12R1.32 C#CCN(C)Cc1ccccc1 34a_100000730907_200000210301 [0,1,0,0,0,0|3,0,0]=4 388 B12R1.32 C#CCN([13CH3])Cc1ccccc1 2230a_100000730907_200025704644 [0,1,0,0,0,0|3,0,0]=4 389 B12R1.32 C#CCN([13CH3])Cc1ccccc1 269982a_100000730907_200025704644 [0,1,0,0,0,0|3,0,0]=4 390 B12R1.32 C#CCN([13CH3])Cc1ccccc1 34a_100000730907_200025704644 [0,1,0,0,0,0|3,0,0]=4 391 B12R1.32 C/C(=C\c1ccccc1)/CO[13CH3] 34a_200025717232_200025704644 [0,1,0,0,0,0|1,0,2]=4 392 B12R1.32 C/C(=C\c1ccccc1)/CO[13CH3] 7a_200025717232_200025704644 [0,1,0,0,0,0|1,0,2]=4 393 B12R1.32 C=CCC(=O)Cc1ccccc1 1458a_100000210193_100015291786 [0,1,0,0,0,0|2,0,1]=4 394 B12R1.32 C=CCN(C)Cc1ccccc1 2230a_100000186898_100000210623 [0,1,0,0,0,0|3,0,0]=4 395 B12R1.32 C=CCN(C)Cc1ccccc1 2230a_100000196212_200000210301 [0,1,0,0,0,0|3,0,0]=4 396 B12R1.32 C=CCN(C)Cc1ccccc1 2230a_100000225617_100015291786 [0,1,0,0,0,0|3,0,0]=4 397 B12R1.32 C=CCN(C)Cc1ccccc1 269982a_100000186898_100000210623 [0,1,0,0,0,0|3,0,0]=4 398 B12R1.32 C=CCN(C)Cc1ccccc1 269982a_100000196212_200000210301 [0,1,0,0,0,0|3,0,0]=4 399 B12R1.32 C=CCN(C)Cc1ccccc1 269982a_100000225617_100000211182 [0,1,0,0,0,0|3,0,0]=4 400 B12R1.32 C=CCN(C)Cc1ccccc1 270004a_100000225617_100015611070 [0,1,0,0,0,0|3,0,0]=4 401 B12R1.32 C=CCN([13CH3])Cc1ccccc1 2230a_100000196212_200025704644 [0,1,0,0,0,0|3,0,0]=4 402 B12R1.32 C=CCN([13CH3])Cc1ccccc1 269982a_100000196212_200025704644 [0,1,0,0,0,0|3,0,0]=4 403 B12R1.32 CC(CC#N)Oc1ccccc1 7a_100000210340_100009813641 [0,1,0,0,0,0|3,0,0]=4 404 B12R1.32 CC(CC#N)Sc1ccccc1 62a_100000719477_100009813641 [0,1,0,0,0,0|3,0,0]=4 405 B12R1.32 CC(CC#N)Sc1ccccc1 62a_100009813641_100000041952 [0,1,0,0,0,0|3,0,0]=4 406 B12R1.32 CC(CCO)Nc1ccccc1 34a_100000106764_100009893172 [0,1,0,0,0,0|2,0,0]=3 407 B12R1.32 CC(CCO)Oc1ccccc1 34a_100000210340_100009893172 [0,1,0,0,0,0|2,0,0]=3 408 B12R1.32 CC(CCO)Oc1ccccc1 7a_100000210340_100009893172 [0,1,0,0,0,0|2,0,0]=3 409 B12R1.32 CC(CCO)Oc1cccnc1 34a_100000210849_100009893172 [0,1,0,0,0,0|3,0,0]=4 410 B12R1.32 CC(CCO)Oc1cccnc1 7a_100000210849_100009893172 [0,1,0,0,0,0|3,0,0]=4 411 B12R1.32 CC(CCO)Oc1ccncc1 34a_100000212176_100009893172 [0,1,0,0,0,0|3,0,0]=4 412 B12R1.32 CC(CCO)Sc1ccccc1 62a_100000719477_100009893172 [0,1,0,0,0,0|2,0,0]=3 413 B12R1.32 CC(CCO)Sc1ccccc1 62a_100009893172_100000041952 [0,1,0,0,0,0|2,0,0]=3 414 B12R1.32 CC(CCO)Sc1ccccn1 62a_100009893172_100011216584 [0,1,0,0,0,0|3,0,0]=4 415 B12R1.32 CC(CCO)Sc1ccccn1 62a_100011216584_100009893172 [0,1,0,0,0,0|3,0,0]=4 416 B12R1.32 CC(CCO)Sc1cccnc1 62a_100000210063_100009893172 [0,1,0,0,0,0|3,0,0]=4 417 B12R1.32 CC(CCO)Sc1cccnc1 62a_100009893172_100000210063 [0,1,0,0,0,0|3,0,0]=4 418 B12R1.32 CC(CCO)Sc1ccncc1 62a_100000728582_100009893172 [0,1,0,0,0,0|3,0,0]=4 419 B12R1.32 CC(CCO)Sc1ccncc1 62a_100009893172_100000728582 [0,1,0,0,0,0|3,0,0]=4 420 B12R1.32 CC(CN[13CH3])Oc1ccccc1 2230a_100000755676_200025704644 [0,1,0,0,0,0|3,0,0]=4 421 B12R1.32 CC(CN[13CH3])Oc1ccccc1 34a_100000755676_200025704644 [0,1,0,0,0,0|3,0,0]=4 422 B12R1.32 CC(CO[13CH3])Cc1ccccc1 34a_100012125295_200025704644 [0,1,0,0,0,0|1,0,0]=2 423 B12R1.32 CC(CO[13CH3])Cc1ccccc1 7a_100012125295_200025704644 [0,1,0,0,0,0|1,0,0]=2 424 B12R1.32 CC(CO[13CH3])Oc1ccccc1 34a_200000036796_200025704644 [0,1,0,0,0,0|2,0,0]=3 425 B12R1.32 CC(CO[13CH3])Oc1ccccc1 7a_200000036796_200025704644 [0,1,0,0,0,0|2,0,0]=3 426 B12R1.32 CC(Cc1ccccc1)OCF 34a_100000748627_100015361967 [0,1,0,0,0,0|2,0,0]=3 427 B12R1.32 CC(Cc1ccccc1)OCF 7a_100000748627_100015361967 [0,1,0,0,0,0|2,0,0]=3 428 B12R1.32 CC(Cc1ccccc1)SCF 62a_100015361967_200011218536 [0,1,0,0,0,0|2,0,0]=3 429 B12R1.32 CC(Cc1ccccc1)SCF 62a_200011218536_100015361967 [0,1,0,0,0,0|2,0,0]=3 430 B12R1.32 CCCC(=O)Cc1ccccc1 1458a_100000211992_100015291786 [0,1,0,0,0,0|2,0,1]=4 431 B12R1.32 CCCC(C)Nc1ccccc1 34a_100000106764_100000766640 [0,1,0,0,0,0|3,0,0]=4 432 B12R1.32 CCCC(C)Oc1ccccc1 34a_100000210340_100000766640 [0,1,0,0,0,0|3,0,0]=4 433 B12R1.32 CCCC(C)Oc1ccccc1 7a_100000210340_100000766640 [0,1,0,0,0,0|3,0,0]=4 434 B12R1.32 CCCC(C)Sc1ccccc1 62a_100000719477_100000766640 [0,1,0,0,0,0|3,0,0]=4 435 B12R1.32 CCCC(C)Sc1ccccc1 62a_100000766640_100000041952 [0,1,0,0,0,0|3,0,0]=4 436 B12R1.32 CCCN(C)Cc1ccccc1 2230a_100000184400_200000210301 [0,1,0,0,0,0|3,0,0]=4 437 B12R1.32 CCCN(C)Cc1ccccc1 2230a_100000186898_100000210303 [0,1,0,0,0,0|3,0,0]=4 438 B12R1.32 CCCN(C)Cc1ccccc1 2230a_100000747261_100015291786 [0,1,0,0,0,0|3,0,0]=4 439 B12R1.32 CCCN(C)Cc1ccccc1 269982a_100000184400_200000210301 [0,1,0,0,0,0|3,0,0]=4 440 B12R1.32 CCCN(C)Cc1ccccc1 269982a_100000186898_100000210303 [0,1,0,0,0,0|3,0,0]=4 441 B12R1.32 CCCN(C)Cc1ccccc1 269982a_100000747261_100000211182 [0,1,0,0,0,0|3,0,0]=4 442 B12R1.32 CCCN(C)Cc1ccccc1 270004a_100000747261_100015611070 [0,1,0,0,0,0|3,0,0]=4 443 B12R1.32 CCCN([13CH3])Cc1ccccc1 2230a_100000184400_200025704644 [0,1,0,0,0,0|3,0,0]=4 444 B12R1.32 CCCN([13CH3])Cc1ccccc1 269982a_100000184400_200025704644 [0,1,0,0,0,0|3,0,0]=4 445 B12R1.32 CCNC(C)C[n+]1ccccc1 270004a_100015525214_100000034229 [0,1,0,0,0,0|3,0,0]=4 446 B12R1.32 CCNC(C)Cc1ccccn1 2230a_100000238496_100000210202 [0,1,0,0,0,0|3,0,0]=4 447 B12R1.32 CCNC(C)Cc1cccnc1 2230a_100011207255_100000210202 [0,1,0,0,0,0|3,0,0]=4 448 B12R1.32 CCNC(C)Cc1cccnc1 270004a_100015525214_100015187140 [0,1,0,0,0,0|3,0,0]=4 449 B12R1.32 CCNC(C)Cc1ccncc1 270004a_100015525214_100000238508 [0,1,0,0,0,0|3,0,0]=4 450 B12R1.32 CCOC(C)Cc1ccccc1 34a_100000748627_100000210202 [0,1,0,0,0,0|2,0,0]=3 451 B12R1.32 CCOC(C)Cc1ccccc1 34a_100121572206_200011218536 [0,1,0,0,0,0|2,0,0]=3 452 B12R1.32 CCOC(C)Cc1ccccc1 7a_100000748627_100000210202 [0,1,0,0,0,0|2,0,0]=3 453 B12R1.32 CCSC(C)Cc1ccccc1 62a_100000210202_200011218536 [0,1,0,0,0,0|2,0,0]=3 454 B12R1.32 CCSC(C)Cc1ccccc1 62a_200011218536_100000210202 [0,1,0,0,0,0|2,0,0]=3 455 B12R1.32 CN(CC#N)Cc1ccccc1 2230a_100000186898_100011215382 [0,1,0,0,0,0|3,0,0]=4 456 B12R1.32 CN(CC#N)Cc1ccccc1 2230a_100000743013_200000210301 [0,1,0,0,0,0|3,0,0]=4 457 B12R1.32 CN(CC#N)Cc1ccccc1 2230a_100000748184_100015291786 [0,1,0,0,0,0|3,0,0]=4 458 B12R1.32 CN(CC#N)Cc1ccccc1 269982a_100000186898_100011214920 [0,1,0,0,0,0|3,0,0]=4 459 B12R1.32 CN(CC=O)Cc1ccccc1 2230a_100000186898_200015260668 [0,1,0,0,0,0|2,0,1]=4 460 B12R1.32 CN(CC=O)Cc1ccccc1 269982a_100000186898_200015260668 [0,1,0,0,0,0|2,0,1]=4 461 B12R1.32 CN(CCF)Cc1ccccc1 2230a_100000186898_100011217306 [0,1,0,0,0,0|3,0,0]=4 462 B12R1.32 CN(CCF)Cc1ccccc1 269982a_100000186898_100011217306 [0,1,0,0,0,0|3,0,0]=4 463 B12R1.32 CN(CCO)Cc1ccccc1 2230a_100000180844_200000210301 [0,1,0,0,0,0|2,0,0]=3 464 B12R1.32 CN(CCO)Cc1ccccc1 2230a_100000186898_100000211926 [0,1,0,0,0,0|2,0,0]=3 465 B12R1.32 CN(CCO)Cc1ccccc1 2230a_100000210263_100015291786 [0,1,0,0,0,0|2,0,0]=3 466 B12R1.32 CN(CCO)Cc1ccccc1 269982a_100000180844_200000210301 [0,1,0,0,0,0|2,0,0]=3 467 B12R1.32 CN(CCO)Cc1ccccc1 269982a_100000186898_100000211926 [0,1,0,0,0,0|2,0,0]=3 468 B12R1.32 CN(CCO)Cc1ccccc1 269982a_100000210263_100000211182 [0,1,0,0,0,0|2,0,0]=3 469 B12R1.32 CN(CCO)Cc1ccccc1 270004a_100000210263_100015611070 [0,1,0,0,0,0|2,0,0]=3 470 B12R1.32 CN(CCO)Cc1ccccn1 2230a_100000207498_100000211926 [0,1,0,0,0,0|3,0,0]=4 471 B12R1.32 CN(CCO)Cc1ccccn1 2230a_100000210263_100000721315 [0,1,0,0,0,0|3,0,0]=4 472 B12R1.32 CN(CCO)Cc1ccccn1 269982a_100000207498_100000211926 [0,1,0,0,0,0|3,0,0]=4 473 B12R1.32 CN(CCO)Cc1ccccn1 269982a_100000210263_100000721315 [0,1,0,0,0,0|3,0,0]=4 474 B12R1.32 CN(CCO)Cc1ccccn1 270004a_100000210263_100000209966 [0,1,0,0,0,0|3,0,0]=4 475 B12R1.32 CN(CCO)Cc1cccnc1 2230a_100000184577_100000211926 [0,1,0,0,0,0|3,0,0]=4 476 B12R1.32 CN(CCO)Cc1cccnc1 2230a_100000210263_100000741622 [0,1,0,0,0,0|3,0,0]=4 477 B12R1.32 CN(CCO)Cc1cccnc1 2230a_200000200437_200000210301 [0,1,0,0,0,0|3,0,0]=4 478 B12R1.32 CN(CCO)Cc1cccnc1 269982a_100000184577_100000211926 [0,1,0,0,0,0|3,0,0]=4 479 B12R1.32 CN(CCO)Cc1cccnc1 269982a_100000210263_100000733263 [0,1,0,0,0,0|3,0,0]=4 480 B12R1.32 CN(CCO)Cc1cccnc1 269982a_200000200437_200000210301 [0,1,0,0,0,0|3,0,0]=4 481 B12R1.32 CN(CCO)Cc1cccnc1 270004a_100000210263_100000209961 [0,1,0,0,0,0|3,0,0]=4 482 B12R1.32 CN(CCO)Cc1ccncc1 2230a_100000187231_100000211926 [0,1,0,0,0,0|3,0,0]=4 483 B12R1.32 CN(CCO)Cc1ccncc1 2230a_100000210263_100015193705 [0,1,0,0,0,0|3,0,0]=4 484 B12R1.32 CN(CCO)Cc1ccncc1 269982a_100000187231_100000211926 [0,1,0,0,0,0|3,0,0]=4 485 B12R1.32 CN(CCO)Cc1ccncc1 269982a_100000210263_100015193705 [0,1,0,0,0,0|3,0,0]=4 486 B12R1.32 CNCC(=O)Cc1ccccc1 2230a_106832991635_100000233483 [0,1,0,0,0,0|2,0,1]=4 487 B12R1.32 CNCC(=O)Cc1ccccc1 7a_106832991635_100000233483 [0,1,0,0,0,0|2,0,1]=4 488 B12R1.32 CNCC(C)Oc1ccccc1 2230a_100000755676_200000210301 [0,1,0,0,0,0|3,0,0]=4 489 B12R1.32 CNCC(C)Oc1ccccc1 34a_100000755676_200000210301 [0,1,0,0,0,0|3,0,0]=4 490 B12R1.32 CNCC(O)Cc1ccccc1 2230a_100000752270_200000210301 [0,1,0,0,0,0|2,0,0]=3 491 B12R1.32 CNC[C@@H](O)Cc1ccccc1 2230a_106832991635_100000729385 [0,1,0,0,0,0|2,0,0]=3 492 B12R1.32 CNC[C@@H](O)Cc1ccccc1 34a_100102657272_100000729385 [0,1,0,0,0,0|2,0,0]=3 493 B12R1.32 CNC[C@@H](O)Cc1ccccc1 7a_106832991635_100000729385 [0,1,0,0,0,0|2,0,0]=3 494 B12R1.32 COC/C(=C/c1ccccc1)/C 34a_200025717232_200000210301 [0,1,0,0,0,0|1,0,2]=4 495 B12R1.32 COC/C(=C/c1ccccc1)/C 7a_200025717232_200000210301 [0,1,0,0,0,0|1,0,2]=4 496 B12R1.32 COCC(=O)Cc1ccccc1 1458a_100000210968_100015291786 [0,1,0,0,0,0|1,0,1]=3 497 B12R1.32 COCC(=O)Cc1ccccn1 1458a_100000210968_100000721315 [0,1,0,0,0,0|2,0,1]=4 498 B12R1.32 COCC(=O)Cc1cccnc1 1458a_100000210968_100000733263 [0,1,0,0,0,0|2,0,1]=4 499 B12R1.32 COCC(=O)Cc1ccncc1 1458a_100000210968_100000705612 [0,1,0,0,0,0|2,0,1]=4 500 B12R1.32 COCC(=O)Nc1ccccc1 11a_100000106764_100000210968 [0,1,0,0,0,0|2,0,1]=4 501 B12R1.32 COCC(=O)Nc1ccccc1 1626a_100000106764_100000210968 [0,1,0,0,0,0|2,0,1]=4 502 B12R1.32 COCC(=O)Nc1ccccc1 22a_100000106764_100000210968 [0,1,0,0,0,0|2,0,1]=4 503 B12R1.32 COCC(=O)Nc1ccccc1 34a_100000246334_200000210301 [0,1,0,0,0,0|2,0,1]=4 504 B12R1.32 COCC(=O)Nc1ccccc1 34a_100138415774_100000182850 [0,1,0,0,0,0|2,0,1]=4 505 B12R1.32 COCC(=O)Nc1ccccc1 527a_100000106764_100000210968 [0,1,0,0,0,0|2,0,1]=4 506 B12R1.32 COCC(=O)Oc1ccccc1 34a_100138415774_100009813826 [0,1,0,0,0,0|2,0,1]=4 507 B12R1.32 COCC(C)Cc1ccccc1 34a_100012125295_200000210301 [0,1,0,0,0,0|1,0,0]=2 508 B12R1.32 COCC(C)Cc1ccccc1 7a_100012125295_200000210301 [0,1,0,0,0,0|1,0,0]=2 509 B12R1.32 COCC(C)Nc1ccccc1 34a_100000106764_100000765312 [0,1,0,0,0,0|2,0,0]=3 510 B12R1.32 COCC(C)Oc1ccccc1 34a_100000210340_100000765312 [0,1,0,0,0,0|2,0,0]=3 511 B12R1.32 COCC(C)Oc1ccccc1 34a_200000036796_200000210301 [0,1,0,0,0,0|2,0,0]=3 512 B12R1.32 COCC(C)Oc1ccccc1 7a_100000210340_100000765312 [0,1,0,0,0,0|2,0,0]=3 513 B12R1.32 COCC(C)Oc1ccccc1 7a_200000036796_200000210301 [0,1,0,0,0,0|2,0,0]=3 514 B12R1.32 COCC(C)Oc1cccnc1 34a_100000210849_100000765312 [0,1,0,0,0,0|3,0,0]=4 515 B12R1.32 COCC(C)Oc1cccnc1 7a_100000210849_100000765312 [0,1,0,0,0,0|3,0,0]=4 516 B12R1.32 COCC(C)Oc1ccncc1 34a_100000212176_100000765312 [0,1,0,0,0,0|3,0,0]=4 517 B12R1.32 COCC(C)Sc1ccccc1 62a_100000719477_100000765312 [0,1,0,0,0,0|2,0,0]=3 518 B12R1.32 COCC(C)Sc1ccccc1 62a_100000765312_100000041952 [0,1,0,0,0,0|2,0,0]=3 519 B12R1.32 COCC(C)Sc1ccccn1 62a_100000765312_100011216584 [0,1,0,0,0,0|3,0,0]=4 520 B12R1.32 COCC(C)Sc1ccccn1 62a_100011216584_100000765312 [0,1,0,0,0,0|3,0,0]=4 521 B12R1.32 COCC(C)Sc1cccnc1 62a_100000210063_100000765312 [0,1,0,0,0,0|3,0,0]=4 522 B12R1.32 COCC(C)Sc1cccnc1 62a_100000765312_100000210063 [0,1,0,0,0,0|3,0,0]=4 523 B12R1.32 COCC(C)Sc1ccncc1 62a_100000728582_100000765312 [0,1,0,0,0,0|3,0,0]=4 524 B12R1.32 COCC(C)Sc1ccncc1 62a_100000765312_100000728582 [0,1,0,0,0,0|3,0,0]=4 525 B12R1.32 COCC(N)Cc1ccccc1 34a_100000739027_200000210301 [0,1,0,0,0,0|0,0,0]=1 526 B12R1.32 COCN(C)Cc1ccccc1 2230a_100000186898_100000766300 [0,1,0,0,0,0|2,0,0]=3 527 B12R1.32 COCN(C)Cc1ccccc1 269982a_100000186898_100000766300 [0,1,0,0,0,0|2,0,0]=3 528 B12R1.32 COCN(C)Cc1ccccn1 2230a_100000207498_100000766300 [0,1,0,0,0,0|3,0,0]=4 529 B12R1.32 COCN(C)Cc1ccccn1 269982a_100000207498_100000766300 [0,1,0,0,0,0|3,0,0]=4 530 B12R1.32 COCN(C)Cc1cccnc1 2230a_100000184577_100000766300 [0,1,0,0,0,0|3,0,0]=4 531 B12R1.32 COCN(C)Cc1cccnc1 269982a_100000184577_100000766300 [0,1,0,0,0,0|3,0,0]=4 532 B12R1.32 COCN(C)Cc1ccncc1 2230a_100000187231_100000766300 [0,1,0,0,0,0|3,0,0]=4 533 B12R1.32 COCN(C)Cc1ccncc1 269982a_100000187231_100000766300 [0,1,0,0,0,0|3,0,0]=4 534 B12R1.32 COC[C@@H](O)Cc1ccccc1 34a_100138415774_100000729385 [0,1,0,0,0,0|1,0,0]=2 535 B12R1.32 CSCC(=O)Cc1ccccc1 1458a_100000184570_100015291786 [0,1,0,0,0,0|1,1,1]=4 536 B12R1.32 CSCC(=O)Cc1ccccc1 62a_100000233483_200000210301 [0,1,0,0,0,0|1,1,1]=4 537 B12R1.32 CSCC(=O)Cc1ccccc1 62a_200000210301_100000233483 [0,1,0,0,0,0|1,1,1]=4 538 B12R1.32 CSCN(C)Cc1ccccc1 2230a_100000186898_100011218213 [0,1,0,0,0,0|2,1,0]=4 539 B12R1.32 CSCN(C)Cc1ccccc1 269982a_100000186898_100011218213 [0,1,0,0,0,0|2,1,0]=4 540 B12R1.32 CSC[C@@H](O)Cc1ccccc1 62a_100000729385_200000210301 [0,1,0,0,0,0|1,1,0]=3 541 B12R1.32 CSC[C@@H](O)Cc1ccccc1 62a_200000210301_100000729385 [0,1,0,0,0,0|1,1,0]=3 542 B12R1.32 N#CCC(=O)Cc1ccccc1 1458a_100051588842_100015291786 [0,1,0,0,0,0|2,0,1]=4 543 B12R1.32 O=C(CCO)C[n+]1ccccc1 1458a_200000086051_100000211926 [0,1,0,0,0,0|2,0,1]=4 544 B12R1.32 O=C(CCO)Cc1ccccc1 1458a_100011216618_100015291786 [0,1,0,0,0,0|1,0,1]=3 545 B12R1.32 O=C(CCO)Cc1ccccn1 1458a_100000233486_100000211926 [0,1,0,0,0,0|2,0,1]=4 546 B12R1.32 O=C(CCO)Cc1ccccn1 1458a_100011216618_100000721315 [0,1,0,0,0,0|2,0,1]=4 547 B12R1.32 O=C(CCO)Cc1cccnc1 1458a_100000737805_100000211926 [0,1,0,0,0,0|2,0,1]=4 548 B12R1.32 O=C(CCO)Cc1cccnc1 1458a_100011216618_100000733263 [0,1,0,0,0,0|2,0,1]=4 549 B12R1.32 O=C(CCO)Cc1ccncc1 1458a_100011216618_100000705612 [0,1,0,0,0,0|2,0,1]=4 550 B12R1.32 O=C(CCO)Nc1ccccc1 22a_100000106764_100011216618 [0,1,0,0,0,0|2,0,1]=4 551 B12R1.32 [13CH3]N(CC#N)Cc1ccccc1 2230a_100000743013_200025704644 [0,1,0,0,0,0|3,0,0]=4 552 B12R1.32 [13CH3]N(CCO)Cc1ccccc1 2230a_100000180844_200025704644 [0,1,0,0,0,0|2,0,0]=3 553 B12R1.32 [13CH3]N(CCO)Cc1ccccc1 269982a_100000180844_200025704644 [0,1,0,0,0,0|2,0,0]=3 554 B12R1.32 [13CH3]N(CCO)Cc1cccnc1 2230a_200000200437_200025704644 [0,1,0,0,0,0|3,0,0]=4 555 B12R1.32 [13CH3]N(CCO)Cc1cccnc1 269982a_200000200437_200025704644 [0,1,0,0,0,0|3,0,0]=4 556 B12R1.32 [13CH3]NCC(O)Cc1ccccc1 2230a_100000752270_200025704644 [0,1,0,0,0,0|2,0,0]=3 557 B12R1.32 [13CH3]OCC(=O)Nc1ccccc1 34a_100000246334_200025704644 [0,1,0,0,0,0|2,0,1]=4 558 B12R1.32 [13CH3]OCC(N)Cc1ccccc1 34a_100000739027_200025704644 [0,1,0,0,0,0|0,0,0]=1 559 B12R1.32 [13CH3]SCC(=O)Cc1ccccc1 62a_100000233483_200025704644 [0,1,0,0,0,0|1,1,1]=4 560 B12R1.32 [13CH3]SCC(=O)Cc1ccccc1 62a_200025704644_100000233483 [0,1,0,0,0,0|1,1,1]=4 561 B12R1.32 [13CH3]SC[C@@H](O)Cc1ccccc1 62a_100000729385_200025704644 [0,1,0,0,0,0|1,1,0]=3 562 B12R1.32 [13CH3]SC[C@@H](O)Cc1ccccc1 62a_200025704644_100000729385 [0,1,0,0,0,0|1,1,0]=3 563 B12R1.34 CC(C(=O)CO)c1ccccc1 1458a_100000210174_100000230085 [0,1,0,0,0,0|1,0,1]=3 564 B12R1.34 CC(CO)N(C)c1ccccc1 2230a_100000210012_100012180447 [0,1,0,0,0,0|2,0,0]=3 565 B12R1.34 CC(CO)N(C)c1ccccc1 34a_100000210012_100012180447 [0,1,0,0,0,0|2,0,0]=3 566 B12R1.34 CC(c1ccccc1)N(C)CF 269982a_100000195388_100015361967 [0,1,0,0,0,0|3,0,0]=4 567 B12R1.34 CCC(=O)C(C)c1ccccc1 1458a_100000210414_100000230085 [0,1,0,0,0,0|2,0,1]=4 568 B12R1.34 CCC(=O)C(F)c1ccccc1 1458a_100000698975_100000210202 [0,1,0,0,0,0|2,0,1]=4 569 B12R1.34 CCC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000210202 [0,1,0,0,0,0|2,0,1]=4 570 B12R1.34 CCC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000210202 [0,1,0,0,0,0|2,0,1]=4 571 B12R1.34 CCC(C)C(=O)c1ccccc1 1458a_100000185807_100000758301 [0,1,0,0,0,0|2,0,1]=4 572 B12R1.34 CCC(C)N(C)c1ccccc1 2230a_100000210012_100000758301 [0,1,0,0,0,0|3,0,0]=4 573 B12R1.34 CCC(C)N(C)c1ccccc1 269982a_100000210012_100000758301 [0,1,0,0,0,0|3,0,0]=4 574 B12R1.34 CCC(C)N(C)c1ccccc1 34a_100000210012_100011215416 [0,1,0,0,0,0|3,0,0]=4 575 B12R1.34 CCN(C)C(C)c1ccccc1 2230a_100000195388_100000210202 [0,1,0,0,0,0|3,0,0]=4 576 B12R1.34 CCN(C)C(C)c1ccccc1 2230a_100000225621_100000230085 [0,1,0,0,0,0|3,0,0]=4 577 B12R1.34 CCN(C)C(C)c1ccccc1 269982a_100000195388_100000204670 [0,1,0,0,0,0|3,0,0]=4 578 B12R1.34 CCN(C)C(C)c1ccccc1 269982a_100000225621_100000230085 [0,1,0,0,0,0|3,0,0]=4 579 B12R1.34 CN(C(=O)CO)c1ccccc1 22a_100000210012_100000210174 [0,1,0,0,0,0|2,0,1]=4 580 B12R1.34 CO[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_200000210301 [0,1,0,0,0,0|3,0,0]=4 581 B12R1.34 C[C@H](C(=O)CF)c1ccccc1 1458a_100000751047_100015361967 [0,1,0,0,0,0|2,0,1]=4 582 B12R1.34 C[C@H](CO)N(C)c1ccccc1 269982a_100000210012_100016084084 [0,1,0,0,0,0|2,0,0]=3 583 B12R1.34 C[C@H](O[13CH3])[C@@H](N)c1ccccc1 34a_100134616770_200025704644 [0,1,0,0,0,0|3,0,0]=4 584 B12R1.34 O=C(CF)C(F)c1ccccc1 1458a_100000698975_100015361967 [0,1,0,0,0,0|2,0,1]=4 585 B12R1.34 O=C(CF)[C@H](O)c1ccccc1 1458a_100000684486_100015361967 [0,1,0,0,0,0|2,0,1]=4 586 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000070787_200011218536 [0,1,0,0,0,0|1,0,2]=4 587 B12R1.43 CC(=O)C(C)Cc1ccccc1 1458a_100000754839_200000210301 [0,1,0,0,0,0|1,0,2]=4 588 B12R1.43 CC(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200000210301 [0,1,0,0,0,0|1,0,2]=4 589 B12R1.43 CC(C)C(=O)Cc1ccccc1 1458a_100000210198_100015291786 [0,1,0,0,0,0|2,0,1]=4 590 B12R1.43 CC(C)N(C)Cc1ccccc1 2230a_100000068392_200000210301 [0,1,0,0,0,0|3,0,0]=4 591 B12R1.43 CC(C)N(C)Cc1ccccc1 2230a_100000186898_100000210206 [0,1,0,0,0,0|3,0,0]=4 592 B12R1.43 CC(C)N(C)Cc1ccccc1 269982a_100000068392_200000210301 [0,1,0,0,0,0|3,0,0]=4 593 B12R1.43 CC(C)N(C)Cc1ccccc1 269982a_100000186898_100000210206 [0,1,0,0,0,0|3,0,0]=4 594 B12R1.43 CC(C)N(C)Cc1ccccc1 269982a_200000211004_100000211182 [0,1,0,0,0,0|3,0,0]=4 595 B12R1.43 CC(C)N(C)Cc1ccccc1 270004a_200000211004_100015611070 [0,1,0,0,0,0|3,0,0]=4 596 B12R1.43 CC(C)N([13CH3])Cc1ccccc1 2230a_100000068392_200025704644 [0,1,0,0,0,0|3,0,0]=4 597 B12R1.43 CC(C)N([13CH3])Cc1ccccc1 269982a_100000068392_200025704644 [0,1,0,0,0,0|3,0,0]=4 598 B12R1.43 CC(Cc1ccccc1)C(=O)[13CH3] 1458a_100000754839_200025704644 [0,1,0,0,0,0|1,0,2]=4 599 B12R1.43 CC(Cc1ccccc1)N(C)C 269982a_100102631434_200011218536 [0,1,0,0,0,0|3,0,0]=4 600 B12R1.43 CC(F)C(=O)Cc1ccccc1 1458a_100000062450_100015291786 [0,1,0,0,0,0|2,0,1]=4 601 B12R1.43 C[C@@H](O)C(=O)Cc1ccccc1 1458a_100000717761_100015291786 [0,1,0,0,0,0|1,0,1]=3 602 B12R1.43 C[C@@H](O)C(=O)Cc1ccccn1 1458a_100000717761_100000721315 [0,1,0,0,0,0|2,0,1]=4 603 B12R1.43 C[C@@H](O)C(=O)Cc1cccnc1 1458a_100000717761_100000733263 [0,1,0,0,0,0|2,0,1]=4 604 B12R1.43 C[C@@H](O)C(=O)Cc1ccncc1 1458a_100000717761_100000705612 [0,1,0,0,0,0|2,0,1]=4 605 B12R1.43 C[C@@H](O)C(=O)Nc1ccccc1 22a_100000106764_100000717761 [0,1,0,0,0,0|2,0,1]=4 606 B12R1.43 C[C@H](O)C(=O)Cc1ccccc1 1458a_217856618621_100015291786 [0,1,0,0,0,0|1,0,1]=3 607 B12R1.43 C[C@H](O)C(=O)Cc1ccccn1 1458a_217856618621_100000721315 [0,1,0,0,0,0|2,0,1]=4 608 B12R1.43 C[C@H](O)C(=O)Cc1cccnc1 1458a_217856618621_100000733263 [0,1,0,0,0,0|2,0,1]=4 609 B12R1.43 C[C@H](O)C(=O)Cc1ccncc1 1458a_217856618621_100000705612 [0,1,0,0,0,0|2,0,1]=4 610 B12R1.43 C[C@H](O)C(=O)Nc1ccccc1 1626a_100000106764_217856618621 [0,1,0,0,0,0|2,0,1]=4 611 B12R1.43 C[C@H](O)C(=O)Nc1ccccc1 22a_100000106764_217856618621 [0,1,0,0,0,0|2,0,1]=4 612 B12R1.43 O=C(Cc1ccccc1)C(O)O 1458a_100000233687_100015291786 [0,1,0,0,0,0|1,0,1]=3 613 B12R1.43 O=C(Cc1ccccn1)C(O)O 1458a_100000233687_100000721315 [0,1,0,0,0,0|2,0,1]=4 614 B12R1.43 O=C(Cc1cccnc1)C(O)O 1458a_100000233687_100000733263 [0,1,0,0,0,0|2,0,1]=4 615 B12R1.43 O=C(Cc1ccncc1)C(O)O 1458a_100000233687_100000705612 [0,1,0,0,0,0|2,0,1]=4 616 B12R1.43 O=C(Nc1ccccc1)C(O)O 22a_100000106764_100000233687 [0,1,0,0,0,0|2,0,1]=4 617 B12R1.43 [13CH3]C(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200025704644 [0,1,0,0,0,0|1,0,2]=4 618 B12R1.49 CC(CO)Nc1ccc(cc1)Br 2230a_100000210018_100012180447 [0,1,0,0,0,0|2,0,0]=3 619 B12R1.49 CC(CO)Nc1ccc(cc1)Br 34a_100000210018_100012180447 [0,1,0,0,0,0|2,0,0]=3 620 B12R1.49 CC(CO)Nc1ccc(cc1)Cl 2230a_100000210052_100012180447 [0,1,0,0,0,0|2,0,0]=3 621 B12R1.49 CC(CO)Nc1ccc(cc1)Cl 34a_100000210052_100012180447 [0,1,0,0,0,0|2,0,0]=3 622 B12R1.49 CC(CO)Nc1ccc(cc1)F 34a_100000185862_100012180447 [0,1,0,0,0,0|2,0,0]=3 623 B12R1.49 CC(CO)Nc1ccc(cc1)I 34a_100000185761_100012180447 [0,1,0,0,0,0|2,0,0]=3 624 B12R1.49 CC(CO)Nc1ccc(cc1)O 34a_100000185829_100012180447 [0,1,0,0,0,0|2,0,0]=3 625 B12R1.49 CC(CO)Oc1ccc(=O)[nH]c1 34a_100000075641_100012180447 [0,1,0,0,0,0|3,0,0]=4 626 B12R1.49 CC(CO)Oc1ccc(cc1)Br 34a_100000185759_100012180447 [0,1,0,0,0,0|2,0,0]=3 627 B12R1.49 CC(CO)Oc1ccc(cc1)Br 7a_100000185759_100012180447 [0,1,0,0,0,0|2,0,0]=3 628 B12R1.49 CC(CO)Oc1ccc(cc1)Cl 34a_100000210216_100012180447 [0,1,0,0,0,0|2,0,0]=3 629 B12R1.49 CC(CO)Oc1ccc(cc1)Cl 7a_100000210216_100012180447 [0,1,0,0,0,0|2,0,0]=3 630 B12R1.49 CC(CO)Oc1ccc(cc1)F 34a_100000210339_100012180447 [0,1,0,0,0,0|2,0,0]=3 631 B12R1.49 CC(CO)Oc1ccc(cc1)I 34a_100000212066_100012180447 [0,1,0,0,0,0|2,0,0]=3 632 B12R1.49 CC(CO)Oc1ccc(cc1)I 7a_100000212066_100012180447 [0,1,0,0,0,0|2,0,0]=3 633 B12R1.49 CC(CO)Oc1ccc(cc1)N 34a_100000185829_100012180447 [0,1,0,0,0,0|2,0,0]=3 634 B12R1.49 CC(CO)Oc1ccc(cn1)Cl 34a_100011215309_100012180447 [0,1,0,0,0,0|3,0,0]=4 635 B12R1.49 CC(CO)Oc1ccc(cn1)F 34a_100000742473_100012180447 [0,1,0,0,0,0|3,0,0]=4 636 B12R1.49 CC(CO)Oc1ccc(cn1)N 34a_100000729260_100012180447 [0,1,0,0,0,0|3,0,0]=4 637 B12R1.49 CC(CO)Oc1ccc(nc1)Br 34a_100000685995_100012180447 [0,1,0,0,0,0|3,0,0]=4 638 B12R1.49 CC(CO)Oc1ccc(nc1)Br 7a_100000685995_100012180447 [0,1,0,0,0,0|3,0,0]=4 639 B12R1.49 CC(CO)Oc1ccc(nc1)Cl 34a_100000744096_100012180447 [0,1,0,0,0,0|3,0,0]=4 640 B12R1.49 CC(CO)Oc1ccc(nc1)Cl 7a_100000744096_100012180447 [0,1,0,0,0,0|3,0,0]=4 641 B12R1.49 CC(CO)Oc1ccc(nc1)F 34a_100000688820_100012180447 [0,1,0,0,0,0|3,0,0]=4 642 B12R1.49 CC(CO)Oc1ccc(nc1)F 7a_100000688820_100012180447 [0,1,0,0,0,0|3,0,0]=4 643 B12R1.49 CC(CO)Oc1ccc(nc1)I 34a_100000687607_100012180447 [0,1,0,0,0,0|3,0,0]=4 644 B12R1.49 CC(CO)Oc1ccc(nc1)I 7a_100000687607_100012180447 [0,1,0,0,0,0|3,0,0]=4 645 B12R1.49 CC(CO)Oc1ccc(nc1)N 34a_100015188713_100012180447 [0,1,0,0,0,0|3,0,0]=4 646 B12R1.49 CC(CO)Oc1ccc(nc1)N 7a_100015188713_100012180447 [0,1,0,0,0,0|3,0,0]=4 647 B12R1.49 CC(CO)Sc1cc[n+](cc1)[O-] 62a_100012180447_100000039755 [0,1,0,0,0,0|3,0,0]=4 648 B12R1.49 CC(CO)Sc1ccc(=O)[nH]c1 62a_100012180447_100000212171 [0,1,0,0,0,0|3,0,0]=4 649 B12R1.49 CC(CO)Sc1ccc(cc1)Br 62a_100012180447_100000752885 [0,1,0,0,0,0|2,0,0]=3 650 B12R1.49 CC(CO)Sc1ccc(cc1)Cl 62a_100012180447_100000755918 [0,1,0,0,0,0|2,0,0]=3 651 B12R1.49 CC(CO)Sc1ccc(cc1)F 62a_100012180447_100000211213 [0,1,0,0,0,0|2,0,0]=3 652 B12R1.49 CC(CO)Sc1ccc(cc1)N 62a_100012180447_100000185761 [0,1,0,0,0,0|2,0,0]=3 653 B12R1.49 CC(CO)Sc1ccc(cc1)O 62a_100012180447_100000185759 [0,1,0,0,0,0|2,0,0]=3 654 B12R1.49 CC(CO)Sc1ccc(cn1)Br 62a_100012180447_100000686858 [0,1,0,0,0,0|3,0,0]=4 655 B12R1.49 CC(CO)Sc1ccc(cn1)Cl 62a_100012180447_100011356976 [0,1,0,0,0,0|3,0,0]=4 656 B12R1.49 CC(CO)Sc1ccc(cn1)F 62a_100012180447_100000744514 [0,1,0,0,0,0|3,0,0]=4 657 B12R1.49 CC(CO)Sc1ccc(cn1)N 62a_100012180447_100000737798 [0,1,0,0,0,0|3,0,0]=4 658 B12R1.49 CC(CO)Sc1ccc(cn1)O 62a_100012180447_100000744096 [0,1,0,0,0,0|3,0,0]=4 659 B12R1.49 CC(CO)Sc1ccc(nc1)Br 62a_100012180447_100009814638 [0,1,0,0,0,0|3,0,0]=4 660 B12R1.49 CC(CO)Sc1ccc(nc1)Cl 62a_100012180447_100000034144 [0,1,0,0,0,0|3,0,0]=4 661 B12R1.49 CC(CO)Sc1ccc(nc1)F 62a_100012180447_100000042367 [0,1,0,0,0,0|3,0,0]=4 662 B12R1.49 CC(CO)Sc1ccc(nc1)N 62a_100012180447_100000187370 [0,1,0,0,0,0|3,0,0]=4 663 B12R1.49 CC(Cc1ccc(cc1)F)O[13CH3] 34a_100011351027_200025704644 [0,1,0,0,0,0|3,0,0]=4 664 B12R1.49 CC(Cc1ccc(cc1)F)O[13CH3] 7a_100011351027_200025704644 [0,1,0,0,0,0|3,0,0]=4 665 B12R1.49 CC(Cc1ccc(cc1)O)N[13CH3] 2230a_100102634573_200025704644 [0,1,0,0,0,0|3,0,0]=4 666 B12R1.49 CC(Cc1ccc(cc1)O)N[13CH3] 34a_100102634573_200025704644 [0,1,0,0,0,0|3,0,0]=4 667 B12R1.49 CCC(=O)Cc1ccc(cc1)Br 1458a_100000198978_100000210202 [0,1,0,0,0,0|2,0,1]=4 668 B12R1.49 CCC(=O)Cc1ccc(cc1)Br 1458a_100000210414_100000189115 [0,1,0,0,0,0|2,0,1]=4 669 B12R1.49 CCC(=O)Cc1ccc(cc1)C 1458a_100000210414_100000210814 [0,1,0,0,0,0|2,0,1]=4 670 B12R1.49 CCC(=O)Cc1ccc(cc1)C 1458a_100000212244_100000210202 [0,1,0,0,0,0|2,0,1]=4 671 B12R1.49 CCC(=O)Cc1ccc(cc1)Cl 1458a_100000210414_100000694040 [0,1,0,0,0,0|2,0,1]=4 672 B12R1.49 CCC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_100000210202 [0,1,0,0,0,0|2,0,1]=4 673 B12R1.49 CCC(=O)Cc1ccc(cc1)F 1458a_100000210414_100000198546 [0,1,0,0,0,0|2,0,1]=4 674 B12R1.49 CCC(=O)Cc1ccc(cc1)F 1458a_100000210951_100000210202 [0,1,0,0,0,0|2,0,1]=4 675 B12R1.49 CCC(=O)Cc1ccc(cc1)I 1458a_100000210414_100000189116 [0,1,0,0,0,0|2,0,1]=4 676 B12R1.49 CCC(=O)Cc1ccc(cc1)I 1458a_100000688869_100000210202 [0,1,0,0,0,0|2,0,1]=4 677 B12R1.49 CCC(=O)Cc1ccc(cc1)O 1458a_100000198540_100000210202 [0,1,0,0,0,0|2,0,1]=4 678 B12R1.49 CCC(C)Nc1ccc(cc1)Br 2230a_100000210018_100000758301 [0,1,0,0,0,0|3,0,0]=4 679 B12R1.49 CCC(C)Nc1ccc(cc1)Br 34a_100000210018_100011215416 [0,1,0,0,0,0|3,0,0]=4 680 B12R1.49 CCC(C)Nc1ccc(cc1)C 34a_100000124888_100011215416 [0,1,0,0,0,0|3,0,0]=4 681 B12R1.49 CCC(C)Nc1ccc(cc1)Cl 2230a_100000210052_100000758301 [0,1,0,0,0,0|3,0,0]=4 682 B12R1.49 CCC(C)Nc1ccc(cc1)Cl 34a_100000210052_100011215416 [0,1,0,0,0,0|3,0,0]=4 683 B12R1.49 CCC(C)Nc1ccc(cc1)F 34a_100000185862_100011215416 [0,1,0,0,0,0|3,0,0]=4 684 B12R1.49 CCC(C)Nc1ccc(cc1)I 34a_100000185761_100011215416 [0,1,0,0,0,0|3,0,0]=4 685 B12R1.49 CCC(C)Nc1ccc(cc1)O 34a_100000185829_100011215416 [0,1,0,0,0,0|3,0,0]=4 686 B12R1.49 CCC(C)Oc1ccc(cc1)Br 34a_100000185759_100011215416 [0,1,0,0,0,0|3,0,0]=4 687 B12R1.49 CCC(C)Oc1ccc(cc1)Br 7a_100000185759_100000758301 [0,1,0,0,0,0|3,0,0]=4 688 B12R1.49 CCC(C)Oc1ccc(cc1)C 34a_100000210336_100011215416 [0,1,0,0,0,0|3,0,0]=4 689 B12R1.49 CCC(C)Oc1ccc(cc1)C 7a_100000210336_100000758301 [0,1,0,0,0,0|3,0,0]=4 690 B12R1.49 CCC(C)Oc1ccc(cc1)Cl 34a_100000210216_100011215416 [0,1,0,0,0,0|3,0,0]=4 691 B12R1.49 CCC(C)Oc1ccc(cc1)Cl 7a_100000210216_100000758301 [0,1,0,0,0,0|3,0,0]=4 692 B12R1.49 CCC(C)Oc1ccc(cc1)F 34a_100000210339_100011215416 [0,1,0,0,0,0|3,0,0]=4 693 B12R1.49 CCC(C)Oc1ccc(cc1)I 34a_100000212066_100011215416 [0,1,0,0,0,0|3,0,0]=4 694 B12R1.49 CCC(C)Oc1ccc(cc1)I 7a_100000212066_100000758301 [0,1,0,0,0,0|3,0,0]=4 695 B12R1.49 CCC(C)Oc1ccc(cc1)N 34a_100000185829_100011215416 [0,1,0,0,0,0|3,0,0]=4 696 B12R1.49 CCC(C)Sc1ccc(cc1)Br 62a_100000752885_100000758301 [0,1,0,0,0,0|3,0,0]=4 697 B12R1.49 CCC(C)Sc1ccc(cc1)Br 62a_100000758301_100000752885 [0,1,0,0,0,0|3,0,0]=4 698 B12R1.49 CCC(C)Sc1ccc(cc1)C 62a_100000186775_100000758301 [0,1,0,0,0,0|3,0,0]=4 699 B12R1.49 CCC(C)Sc1ccc(cc1)C 62a_100000758301_100000186775 [0,1,0,0,0,0|3,0,0]=4 700 B12R1.49 CCC(C)Sc1ccc(cc1)Cl 62a_100000755918_100000758301 [0,1,0,0,0,0|3,0,0]=4 701 B12R1.49 CCC(C)Sc1ccc(cc1)Cl 62a_100000758301_100000755918 [0,1,0,0,0,0|3,0,0]=4 702 B12R1.49 CCC(C)Sc1ccc(cc1)F 62a_100000211213_100000758301 [0,1,0,0,0,0|3,0,0]=4 703 B12R1.49 CCC(C)Sc1ccc(cc1)F 62a_100000758301_100000211213 [0,1,0,0,0,0|3,0,0]=4 704 B12R1.49 CCC(C)Sc1ccc(cc1)N 62a_100000185761_100000758301 [0,1,0,0,0,0|3,0,0]=4 705 B12R1.49 CCC(C)Sc1ccc(cc1)N 62a_100000758301_100000185761 [0,1,0,0,0,0|3,0,0]=4 706 B12R1.49 CCC(C)Sc1ccc(cc1)O 62a_100000758301_100000185759 [0,1,0,0,0,0|3,0,0]=4 707 B12R1.49 CCN(C)Cc1ccc(cc1)Br 2230a_100000180866_100000210202 [0,1,0,0,0,0|3,0,0]=4 708 B12R1.49 CCN(C)Cc1ccc(cc1)Br 2230a_100000187385_200000210301 [0,1,0,0,0,0|3,0,0]=4 709 B12R1.49 CCN(C)Cc1ccc(cc1)Br 2230a_100000225621_100011217064 [0,1,0,0,0,0|3,0,0]=4 710 B12R1.49 CCN(C)Cc1ccc(cc1)Br 269982a_100000180866_100000204670 [0,1,0,0,0,0|3,0,0]=4 711 B12R1.49 CCN(C)Cc1ccc(cc1)Br 269982a_100000187385_200000210301 [0,1,0,0,0,0|3,0,0]=4 712 B12R1.49 CCN(C)Cc1ccc(cc1)Br 269982a_100000225621_100011217064 [0,1,0,0,0,0|3,0,0]=4 713 B12R1.49 CCN(C)Cc1ccc(cc1)Br 26a_100000225621_100000185759 [0,1,0,0,0,0|3,0,0]=4 714 B12R1.49 CCN(C)Cc1ccc(cc1)C 2230a_100000180869_200000210301 [0,1,0,0,0,0|3,0,0]=4 715 B12R1.49 CCN(C)Cc1ccc(cc1)C 2230a_100000225621_100000210814 [0,1,0,0,0,0|3,0,0]=4 716 B12R1.49 CCN(C)Cc1ccc(cc1)C 2230a_100000744650_100000210202 [0,1,0,0,0,0|3,0,0]=4 717 B12R1.49 CCN(C)Cc1ccc(cc1)C 269982a_100000180869_200000210301 [0,1,0,0,0,0|3,0,0]=4 718 B12R1.49 CCN(C)Cc1ccc(cc1)C 269982a_100000225621_100000210814 [0,1,0,0,0,0|3,0,0]=4 719 B12R1.49 CCN(C)Cc1ccc(cc1)C 269982a_100000744650_100000204670 [0,1,0,0,0,0|3,0,0]=4 720 B12R1.49 CCN(C)Cc1ccc(cc1)C 26a_100000225621_200020625495 [0,1,0,0,0,0|3,0,0]=4 721 B12R1.49 CCN(C)Cc1ccc(cc1)C 34a_100000744650_100000210202 [0,1,0,0,0,0|3,0,0]=4 722 B12R1.49 CCN(C)Cc1ccc(cc1)Cl 2230a_100000180830_200000210301 [0,1,0,0,0,0|3,0,0]=4 723 B12R1.49 CCN(C)Cc1ccc(cc1)Cl 2230a_100000184517_100000210202 [0,1,0,0,0,0|3,0,0]=4 724 B12R1.49 CCN(C)Cc1ccc(cc1)Cl 2230a_100000225621_100000694040 [0,1,0,0,0,0|3,0,0]=4 725 B12R1.49 CCN(C)Cc1ccc(cc1)Cl 269982a_100000180830_200000210301 [0,1,0,0,0,0|3,0,0]=4 726 B12R1.49 CCN(C)Cc1ccc(cc1)Cl 269982a_100000184517_100000204670 [0,1,0,0,0,0|3,0,0]=4 727 B12R1.49 CCN(C)Cc1ccc(cc1)Cl 269982a_100000225621_100000187161 [0,1,0,0,0,0|3,0,0]=4 728 B12R1.49 CCN(C)Cc1ccc(cc1)Cl 34a_100000184517_100000210202 [0,1,0,0,0,0|3,0,0]=4 729 B12R1.49 CCN(C)Cc1ccc(cc1)F 2230a_100000184576_100000210202 [0,1,0,0,0,0|3,0,0]=4 730 B12R1.49 CCN(C)Cc1ccc(cc1)F 2230a_100000225621_100000198546 [0,1,0,0,0,0|3,0,0]=4 731 B12R1.49 CCN(C)Cc1ccc(cc1)F 2230a_100015183324_200000210301 [0,1,0,0,0,0|3,0,0]=4 732 B12R1.49 CCN(C)Cc1ccc(cc1)F 269982a_100000184576_100000204670 [0,1,0,0,0,0|3,0,0]=4 733 B12R1.49 CCN(C)Cc1ccc(cc1)F 269982a_100000225621_100000198546 [0,1,0,0,0,0|3,0,0]=4 734 B12R1.49 CCN(C)Cc1ccc(cc1)F 269982a_100015183324_200000210301 [0,1,0,0,0,0|3,0,0]=4 735 B12R1.49 CCN(C)Cc1ccc(cc1)F 34a_100000184576_100000210202 [0,1,0,0,0,0|3,0,0]=4 736 B12R1.49 CCN(C)Cc1ccc(cc1)F 34a_100015183324_200000210301 [0,1,0,0,0,0|3,0,0]=4 737 B12R1.49 CCN(C)Cc1ccc(cc1)I 2230a_100000225621_100000189116 [0,1,0,0,0,0|3,0,0]=4 738 B12R1.49 CCN(C)Cc1ccc(cc1)I 269982a_100000225621_100000189116 [0,1,0,0,0,0|3,0,0]=4 739 B12R1.49 CCN(C)Cc1ccc(cc1)O 2230a_100000207500_100000210202 [0,1,0,0,0,0|3,0,0]=4 740 B12R1.49 CCN(C)Cc1ccc(cc1)O 269982a_100000207500_100000204670 [0,1,0,0,0,0|3,0,0]=4 741 B12R1.49 CCN(C)Cc1ccc(cc1)O 269982a_100000748449_200000210301 [0,1,0,0,0,0|3,0,0]=4 742 B12R1.49 CCN([13CH3])Cc1ccc(cc1)Br 2230a_100000187385_200025704644 [0,1,0,0,0,0|3,0,0]=4 743 B12R1.49 CCN([13CH3])Cc1ccc(cc1)Br 269982a_100000187385_200025704644 [0,1,0,0,0,0|3,0,0]=4 744 B12R1.49 CCN([13CH3])Cc1ccc(cc1)C 2230a_100000180869_200025704644 [0,1,0,0,0,0|3,0,0]=4 745 B12R1.49 CCN([13CH3])Cc1ccc(cc1)C 269982a_100000180869_200025704644 [0,1,0,0,0,0|3,0,0]=4 746 B12R1.49 CCN([13CH3])Cc1ccc(cc1)Cl 2230a_100000180830_200025704644 [0,1,0,0,0,0|3,0,0]=4 747 B12R1.49 CCN([13CH3])Cc1ccc(cc1)Cl 269982a_100000180830_200025704644 [0,1,0,0,0,0|3,0,0]=4 748 B12R1.49 CCN([13CH3])Cc1ccc(cc1)F 2230a_100015183324_200025704644 [0,1,0,0,0,0|3,0,0]=4 749 B12R1.49 CCN([13CH3])Cc1ccc(cc1)F 269982a_100015183324_200025704644 [0,1,0,0,0,0|3,0,0]=4 750 B12R1.49 CCN([13CH3])Cc1ccc(cc1)F 34a_100015183324_200025704644 [0,1,0,0,0,0|3,0,0]=4 751 B12R1.49 CCN([13CH3])Cc1ccc(cc1)O 269982a_100000748449_200025704644 [0,1,0,0,0,0|3,0,0]=4 752 B12R1.49 CN(CF)Cc1ccc(cc1)Br 269982a_100000180866_100015361967 [0,1,0,0,0,0|3,0,0]=4 753 B12R1.49 CN(CF)Cc1ccc(cc1)Cl 269982a_100000184517_100015361967 [0,1,0,0,0,0|3,0,0]=4 754 B12R1.49 CN(CF)Cc1ccc(cc1)Cl 34a_100000184517_100015361967 [0,1,0,0,0,0|3,0,0]=4 755 B12R1.49 CN(CF)Cc1ccc(cc1)F 269982a_100000184576_100015361967 [0,1,0,0,0,0|3,0,0]=4 756 B12R1.49 CN(CF)Cc1ccc(cc1)F 34a_100000184576_100015361967 [0,1,0,0,0,0|3,0,0]=4 757 B12R1.49 CN(CF)Cc1ccc(cc1)O 269982a_100000207500_100015361967 [0,1,0,0,0,0|3,0,0]=4 758 B12R1.49 CNC(C)Cc1ccc(cc1)Br 270004a_106832991635_100000691760 [0,1,0,0,0,0|3,0,0]=4 759 B12R1.49 CNC(C)Cc1ccc(cc1)C 270004a_106832991635_100000751045 [0,1,0,0,0,0|3,0,0]=4 760 B12R1.49 CNC(C)Cc1ccc(cc1)Cl 270004a_106832991635_100000747806 [0,1,0,0,0,0|3,0,0]=4 761 B12R1.49 CNC(C)Cc1ccc(cc1)F 270004a_106832991635_100000745281 [0,1,0,0,0,0|3,0,0]=4 762 B12R1.49 CNC(C)Cc1ccc(cc1)O 2230a_100102634573_200000210301 [0,1,0,0,0,0|3,0,0]=4 763 B12R1.49 CNC(C)Cc1ccc(cc1)O 270004a_106832991635_100011218180 [0,1,0,0,0,0|3,0,0]=4 764 B12R1.49 CNC(C)Cc1ccc(cc1)O 34a_100102634573_200000210301 [0,1,0,0,0,0|3,0,0]=4 765 B12R1.49 COC(C)Cc1ccc(cc1)F 34a_100011351027_200000210301 [0,1,0,0,0,0|3,0,0]=4 766 B12R1.49 COC(C)Cc1ccc(cc1)F 7a_100011351027_200000210301 [0,1,0,0,0,0|3,0,0]=4 767 B12R1.49 C[C@H](CO)Nc1ccc(cn1)Br 27a_100000737577_100000686858 [0,1,0,0,0,0|3,0,0]=4 768 B12R1.49 C[C@H](CO)Sc1cc[n+](cc1)[O-] 62a_100016084084_100000039755 [0,1,0,0,0,0|3,0,0]=4 769 B12R1.49 C[C@H](CO)Sc1ccc(=O)[nH]c1 62a_100000212171_100016084084 [0,1,0,0,0,0|3,0,0]=4 770 B12R1.49 C[C@H](CO)Sc1ccc(=O)[nH]c1 62a_100016084084_100000212171 [0,1,0,0,0,0|3,0,0]=4 771 B12R1.49 C[C@H](CO)Sc1ccc(cc1)Br 62a_100000752885_100016084084 [0,1,0,0,0,0|2,0,0]=3 772 B12R1.49 C[C@H](CO)Sc1ccc(cc1)Br 62a_100016084084_100000752885 [0,1,0,0,0,0|2,0,0]=3 773 B12R1.49 C[C@H](CO)Sc1ccc(cc1)Cl 62a_100000755918_100016084084 [0,1,0,0,0,0|2,0,0]=3 774 B12R1.49 C[C@H](CO)Sc1ccc(cc1)Cl 62a_100016084084_100000755918 [0,1,0,0,0,0|2,0,0]=3 775 B12R1.49 C[C@H](CO)Sc1ccc(cc1)F 62a_100000211213_100016084084 [0,1,0,0,0,0|2,0,0]=3 776 B12R1.49 C[C@H](CO)Sc1ccc(cc1)F 62a_100016084084_100000211213 [0,1,0,0,0,0|2,0,0]=3 777 B12R1.49 C[C@H](CO)Sc1ccc(cc1)N 62a_100000185761_100016084084 [0,1,0,0,0,0|2,0,0]=3 778 B12R1.49 C[C@H](CO)Sc1ccc(cc1)N 62a_100016084084_100000185761 [0,1,0,0,0,0|2,0,0]=3 779 B12R1.49 C[C@H](CO)Sc1ccc(cc1)O 62a_100016084084_100000185759 [0,1,0,0,0,0|2,0,0]=3 780 B12R1.49 C[C@H](CO)Sc1ccc(cn1)Br 62a_100000686858_100016084084 [0,1,0,0,0,0|3,0,0]=4 781 B12R1.49 C[C@H](CO)Sc1ccc(cn1)Br 62a_100016084084_100000686858 [0,1,0,0,0,0|3,0,0]=4 782 B12R1.49 C[C@H](CO)Sc1ccc(cn1)Cl 62a_100011356976_100016084084 [0,1,0,0,0,0|3,0,0]=4 783 B12R1.49 C[C@H](CO)Sc1ccc(cn1)Cl 62a_100016084084_100011356976 [0,1,0,0,0,0|3,0,0]=4 784 B12R1.49 C[C@H](CO)Sc1ccc(cn1)F 62a_100000744514_100016084084 [0,1,0,0,0,0|3,0,0]=4 785 B12R1.49 C[C@H](CO)Sc1ccc(cn1)F 62a_100016084084_100000744514 [0,1,0,0,0,0|3,0,0]=4 786 B12R1.49 C[C@H](CO)Sc1ccc(cn1)N 62a_100000737798_100016084084 [0,1,0,0,0,0|3,0,0]=4 787 B12R1.49 C[C@H](CO)Sc1ccc(cn1)N 62a_100016084084_100000737798 [0,1,0,0,0,0|3,0,0]=4 788 B12R1.49 C[C@H](CO)Sc1ccc(cn1)O 62a_100000685995_100016084084 [0,1,0,0,0,0|3,0,0]=4 789 B12R1.49 C[C@H](CO)Sc1ccc(cn1)O 62a_100016084084_100000744096 [0,1,0,0,0,0|3,0,0]=4 790 B12R1.49 C[C@H](CO)Sc1ccc(nc1)Br 62a_100009814638_100016084084 [0,1,0,0,0,0|3,0,0]=4 791 B12R1.49 C[C@H](CO)Sc1ccc(nc1)Br 62a_100016084084_100009814638 [0,1,0,0,0,0|3,0,0]=4 792 B12R1.49 C[C@H](CO)Sc1ccc(nc1)Cl 62a_100000034144_100016084084 [0,1,0,0,0,0|3,0,0]=4 793 B12R1.49 C[C@H](CO)Sc1ccc(nc1)Cl 62a_100016084084_100000034144 [0,1,0,0,0,0|3,0,0]=4 794 B12R1.49 C[C@H](CO)Sc1ccc(nc1)F 62a_100000042367_100016084084 [0,1,0,0,0,0|3,0,0]=4 795 B12R1.49 C[C@H](CO)Sc1ccc(nc1)F 62a_100016084084_100000042367 [0,1,0,0,0,0|3,0,0]=4 796 B12R1.49 C[C@H](CO)Sc1ccc(nc1)N 62a_100000187370_100016084084 [0,1,0,0,0,0|3,0,0]=4 797 B12R1.49 C[C@H](CO)Sc1ccc(nc1)N 62a_100016084084_100000187370 [0,1,0,0,0,0|3,0,0]=4 798 B12R1.49 Cc1ccc(cc1)CC(=O)CF 1458a_100000212244_100015361967 [0,1,0,0,0,0|2,0,1]=4 799 B12R1.49 Cc1ccc(cc1)CC(=O)CO 1458a_100000210174_100000210814 [0,1,0,0,0,0|1,0,1]=3 800 B12R1.49 Cc1ccc(cc1)CN(C)CF 269982a_100000744650_100015361967 [0,1,0,0,0,0|3,0,0]=4 801 B12R1.49 Cc1ccc(cc1)CN(C)CF 34a_100000744650_100015361967 [0,1,0,0,0,0|3,0,0]=4 802 B12R1.49 Cc1ccc(cc1)NC(=O)CO 22a_100000124888_100000210174 [0,1,0,0,0,0|2,0,1]=4 803 B12R1.49 Cc1ccc(cc1)NC(=O)CO 527a_100000124888_100000210174 [0,1,0,0,0,0|2,0,1]=4 804 B12R1.49 Cc1ccc(cc1)NC(C)CO 34a_100000124888_100012180447 [0,1,0,0,0,0|2,0,0]=3 805 B12R1.49 Cc1ccc(cc1)OC(C)CO 34a_100000210336_100012180447 [0,1,0,0,0,0|2,0,0]=3 806 B12R1.49 Cc1ccc(cc1)OC(C)CO 7a_100000210336_100012180447 [0,1,0,0,0,0|2,0,0]=3 807 B12R1.49 Cc1ccc(cc1)SC(C)CO 62a_100012180447_100000186775 [0,1,0,0,0,0|2,0,0]=3 808 B12R1.49 Cc1ccc(cc1)S[C@H](C)CO 62a_100000186775_100016084084 [0,1,0,0,0,0|2,0,0]=3 809 B12R1.49 Cc1ccc(cc1)S[C@H](C)CO 62a_100016084084_100000186775 [0,1,0,0,0,0|2,0,0]=3 810 B12R1.49 Cc1ccc(cn1)CC(=O)CO 1458a_100000210174_100016987292 [0,1,0,0,0,0|2,0,1]=4 811 B12R1.49 Cc1ccc(cn1)OC(C)CO 34a_100000745506_100012180447 [0,1,0,0,0,0|3,0,0]=4 812 B12R1.49 Cc1ccc(cn1)OC(C)CO 7a_100000745506_100012180447 [0,1,0,0,0,0|3,0,0]=4 813 B12R1.49 Cc1ccc(cn1)SC(C)CO 62a_100012180447_100000751577 [0,1,0,0,0,0|3,0,0]=4 814 B12R1.49 Cc1ccc(cn1)S[C@H](C)CO 62a_100000751577_100016084084 [0,1,0,0,0,0|3,0,0]=4 815 B12R1.49 Cc1ccc(cn1)S[C@H](C)CO 62a_100016084084_100000751577 [0,1,0,0,0,0|3,0,0]=4 816 B12R1.49 Cc1ccc(nc1)CC(=O)CO 1458a_100000210174_100000691093 [0,1,0,0,0,0|2,0,1]=4 817 B12R1.49 Cc1ccc(nc1)OC(C)CO 34a_100000759353_100012180447 [0,1,0,0,0,0|3,0,0]=4 818 B12R1.49 Cc1ccc(nc1)SC(C)CO 62a_100012180447_100000754016 [0,1,0,0,0,0|3,0,0]=4 819 B12R1.49 Cc1ccc(nc1)S[C@H](C)CO 62a_100011192072_100016084084 [0,1,0,0,0,0|3,0,0]=4 820 B12R1.49 Cc1ccc(nc1)S[C@H](C)CO 62a_100016084084_100000754016 [0,1,0,0,0,0|3,0,0]=4 821 B12R1.49 O=C(CF)Cc1ccc(cc1)Br 1458a_100000198978_100015361967 [0,1,0,0,0,0|2,0,1]=4 822 B12R1.49 O=C(CF)Cc1ccc(cc1)Cl 1458a_100000211027_100015361967 [0,1,0,0,0,0|2,0,1]=4 823 B12R1.49 O=C(CF)Cc1ccc(cc1)F 1458a_100000210951_100015361967 [0,1,0,0,0,0|2,0,1]=4 824 B12R1.49 O=C(CF)Cc1ccc(cc1)I 1458a_100000688869_100015361967 [0,1,0,0,0,0|2,0,1]=4 825 B12R1.49 O=C(CF)Cc1ccc(cc1)O 1458a_100000198540_100015361967 [0,1,0,0,0,0|2,0,1]=4 826 B12R1.49 O=C(CO)Cc1ccc(cc1)Br 1458a_100000210174_100000189115 [0,1,0,0,0,0|1,0,1]=3 827 B12R1.49 O=C(CO)Cc1ccc(cc1)Cl 1458a_100000210174_100000694040 [0,1,0,0,0,0|1,0,1]=3 828 B12R1.49 O=C(CO)Cc1ccc(cc1)F 1458a_100000210174_100000198546 [0,1,0,0,0,0|1,0,1]=3 829 B12R1.49 O=C(CO)Cc1ccc(cc1)I 1458a_100000210174_100000189116 [0,1,0,0,0,0|1,0,1]=3 830 B12R1.49 O=C(CO)Cc1ccc(cn1)Br 1458a_100000210174_100000702658 [0,1,0,0,0,0|2,0,1]=4 831 B12R1.49 O=C(CO)Cc1ccc(cn1)Cl 1458a_100000210174_100012066911 [0,1,0,0,0,0|2,0,1]=4 832 B12R1.49 O=C(CO)Cc1ccc(cn1)F 1458a_100000210174_100000703193 [0,1,0,0,0,0|2,0,1]=4 833 B12R1.49 O=C(CO)Cc1ccc(nc1)Br 1458a_100000210174_100009831999 [0,1,0,0,0,0|2,0,1]=4 834 B12R1.49 O=C(CO)Cc1ccc(nc1)Cl 1458a_100000210174_100000735431 [0,1,0,0,0,0|2,0,1]=4 835 B12R1.49 O=C(CO)Cc1ccc(nc1)F 1458a_100000210174_100009820150 [0,1,0,0,0,0|2,0,1]=4 836 B12R1.49 O=C(CO)Nc1ccc(cc1)Br 22a_100000210018_100000210174 [0,1,0,0,0,0|2,0,1]=4 837 B12R1.49 O=C(CO)Nc1ccc(cc1)Br 527a_100000210018_100000210174 [0,1,0,0,0,0|2,0,1]=4 838 B12R1.49 O=C(CO)Nc1ccc(cc1)Cl 22a_100000210052_100000210174 [0,1,0,0,0,0|2,0,1]=4 839 B12R1.49 O=C(CO)Nc1ccc(cc1)Cl 527a_100000210052_100000210174 [0,1,0,0,0,0|2,0,1]=4 840 B12R1.49 O=C(CO)Nc1ccc(cc1)F 22a_100000185862_100000210174 [0,1,0,0,0,0|2,0,1]=4 841 B12R1.49 O=C(CO)Nc1ccc(cc1)F 527a_100000185862_100000210174 [0,1,0,0,0,0|2,0,1]=4 842 B12R1.49 O=C(CO)Nc1ccc(cc1)I 22a_100000185761_100000210174 [0,1,0,0,0,0|2,0,1]=4 843 B12R1.49 O=C(CO)Nc1ccc(cc1)I 527a_100000185761_100000210174 [0,1,0,0,0,0|2,0,1]=4 844 B12R1.49 O=C(CO)Nc1ccc(cc1)O 22a_100000185829_100000210174 [0,1,0,0,0,0|2,0,1]=4 845 B12R1.50 CC(CO)Nc1cccc(c1)Br 34a_100000210019_100012180447 [0,1,0,0,0,0|2,0,0]=3 846 B12R1.50 CC(CO)Nc1cccc(c1)Cl 34a_100000185859_100012180447 [0,1,0,0,0,0|2,0,0]=3 847 B12R1.50 CC(CO)Nc1cccc(c1)F 34a_100000210047_100012180447 [0,1,0,0,0,0|2,0,0]=3 848 B12R1.50 CC(CO)Nc1cccc(c1)I 34a_100000211102_100012180447 [0,1,0,0,0,0|2,0,0]=3 849 B12R1.50 CC(CO)Nc1cccc(c1)O 34a_100000210217_100012180447 [0,1,0,0,0,0|2,0,0]=3 850 B12R1.50 CC(CO)Oc1cc[nH]c(=O)c1 34a_100000032262_100012180447 [0,1,0,0,0,0|3,0,0]=4 851 B12R1.50 CC(CO)Oc1ccc[n+](c1)[O-] 34a_100000039713_100012180447 [0,1,0,0,0,0|3,0,0]=4 852 B12R1.50 CC(CO)Oc1ccc[n+](c1)[O-] 7a_100000039713_100012180447 [0,1,0,0,0,0|3,0,0]=4 853 B12R1.50 CC(CO)Oc1cccc(=O)[nH]1 34a_100000033347_100012180447 [0,1,0,0,0,0|3,0,0]=4 854 B12R1.50 CC(CO)Oc1cccc(c1)Br 34a_100000210342_100012180447 [0,1,0,0,0,0|2,0,0]=3 855 B12R1.50 CC(CO)Oc1cccc(c1)Br 7a_100000210342_100012180447 [0,1,0,0,0,0|2,0,0]=3 856 B12R1.50 CC(CO)Oc1cccc(c1)Cl 34a_100000210295_100012180447 [0,1,0,0,0,0|2,0,0]=3 857 B12R1.50 CC(CO)Oc1cccc(c1)Cl 7a_100000210295_100012180447 [0,1,0,0,0,0|2,0,0]=3 858 B12R1.50 CC(CO)Oc1cccc(c1)F 34a_100000210426_100012180447 [0,1,0,0,0,0|2,0,0]=3 859 B12R1.50 CC(CO)Oc1cccc(c1)F 7a_100000210426_100012180447 [0,1,0,0,0,0|2,0,0]=3 860 B12R1.50 CC(CO)Oc1cccc(c1)I 34a_100000211634_100012180447 [0,1,0,0,0,0|2,0,0]=3 861 B12R1.50 CC(CO)Oc1cccc(c1)I 7a_100000211634_100012180447 [0,1,0,0,0,0|2,0,0]=3 862 B12R1.50 CC(CO)Oc1cccc(c1)N 34a_100000210217_100012180447 [0,1,0,0,0,0|2,0,0]=3 863 B12R1.50 CC(CO)Oc1cccc(n1)F 34a_100011432558_100012180447 [0,1,0,0,0,0|3,0,0]=4 864 B12R1.50 CC(CO)Oc1ccnc(c1)Cl 34a_100000762945_100012180447 [0,1,0,0,0,0|3,0,0]=4 865 B12R1.50 CC(CO)Oc1ccnc(c1)F 34a_100000732698_100012180447 [0,1,0,0,0,0|3,0,0]=4 866 B12R1.50 CC(CO)Oc1ccnc(c1)N 34a_100011834064_100012180447 [0,1,0,0,0,0|3,0,0]=4 867 B12R1.50 CC(CO)Oc1cncc(c1)Br 34a_100000754920_100012180447 [0,1,0,0,0,0|3,0,0]=4 868 B12R1.50 CC(CO)Oc1cncc(c1)Br 7a_100000754920_100012180447 [0,1,0,0,0,0|3,0,0]=4 869 B12R1.50 CC(CO)Oc1cncc(c1)Cl 7a_100000032511_100012180447 [0,1,0,0,0,0|3,0,0]=4 870 B12R1.50 CC(CO)Oc1cncc(c1)F 34a_100011830296_100012180447 [0,1,0,0,0,0|3,0,0]=4 871 B12R1.50 CC(CO)Oc1cncc(c1)F 7a_100011830296_100012180447 [0,1,0,0,0,0|3,0,0]=4 872 B12R1.50 CC(CO)Oc1cncc(c1)N 34a_100011997051_100012180447 [0,1,0,0,0,0|3,0,0]=4 873 B12R1.50 CC(CO)Sc1cc(ccn1)Cl 62a_100012180447_100010167805 [0,1,0,0,0,0|3,0,0]=4 874 B12R1.50 CC(CO)Sc1cc(ccn1)F 62a_100012180447_100000764206 [0,1,0,0,0,0|3,0,0]=4 875 B12R1.50 CC(CO)Sc1cc(ccn1)N 62a_100012180447_100009814236 [0,1,0,0,0,0|3,0,0]=4 876 B12R1.50 CC(CO)Sc1cc(ccn1)O 62a_100012180447_100000762945 [0,1,0,0,0,0|3,0,0]=4 877 B12R1.50 CC(CO)Sc1cc[nH]c(=O)c1 62a_100012180447_100009816521 [0,1,0,0,0,0|3,0,0]=4 878 B12R1.50 CC(CO)Sc1ccc[n+](c1)C 62a_100012180447_100009996589 [0,1,0,0,0,0|3,0,0]=4 879 B12R1.50 CC(CO)Sc1ccc[n+](c1)[O-] 62a_100012180447_100009815978 [0,1,0,0,0,0|3,0,0]=4 880 B12R1.50 CC(CO)Sc1cccc(=O)[nH]1 62a_100012180447_100000752884 [0,1,0,0,0,0|3,0,0]=4 881 B12R1.50 CC(CO)Sc1cccc(c1)Br 62a_100012180447_100000691529 [0,1,0,0,0,0|2,0,0]=3 882 B12R1.50 CC(CO)Sc1cccc(c1)Cl 62a_100012180447_100000699651 [0,1,0,0,0,0|2,0,0]=3 883 B12R1.50 CC(CO)Sc1cccc(c1)F 62a_100012180447_100000685547 [0,1,0,0,0,0|2,0,0]=3 884 B12R1.50 CC(CO)Sc1cccc(c1)N 62a_100012180447_100000210019 [0,1,0,0,0,0|2,0,0]=3 885 B12R1.50 CC(CO)Sc1cccc(c1)O 62a_100012180447_100000211634 [0,1,0,0,0,0|2,0,0]=3 886 B12R1.50 CC(CO)Sc1cccc(c1)[S] 62a_100012180447_114929384022 [0,1,0,0,0,0|2,0,0]=3 887 B12R1.50 CC(CO)Sc1cccc(n1)Br 62a_100012180447_100000684672 [0,1,0,0,0,0|3,0,0]=4 888 B12R1.50 CC(CO)Sc1cccc(n1)Cl 62a_100012180447_100000051397 [0,1,0,0,0,0|3,0,0]=4 889 B12R1.50 CC(CO)Sc1cccc(n1)F 62a_100012180447_100009815982 [0,1,0,0,0,0|3,0,0]=4 890 B12R1.50 CC(CO)Sc1cccc(n1)N 62a_100012180447_100000740741 [0,1,0,0,0,0|3,0,0]=4 891 B12R1.50 CC(CO)Sc1ccnc(c1)Br 62a_100012180447_100009814637 [0,1,0,0,0,0|3,0,0]=4 892 B12R1.50 CC(CO)Sc1ccnc(c1)Cl 62a_100012180447_100000035001 [0,1,0,0,0,0|3,0,0]=4 893 B12R1.50 CC(CO)Sc1ccnc(c1)F 62a_100012180447_100009816116 [0,1,0,0,0,0|3,0,0]=4 894 B12R1.50 CC(CO)Sc1ccnc(c1)N 62a_100012180447_100000049665 [0,1,0,0,0,0|3,0,0]=4 895 B12R1.50 CC(CO)Sc1cncc(c1)Br 62a_100012180447_100000728054 [0,1,0,0,0,0|3,0,0]=4 896 B12R1.50 CC(CO)Sc1cncc(c1)Cl 62a_100012180447_100000049639 [0,1,0,0,0,0|3,0,0]=4 897 B12R1.50 CC(CO)Sc1cncc(c1)F 62a_100012180447_100000744099 [0,1,0,0,0,0|3,0,0]=4 898 B12R1.50 CC(CO)Sc1cncc(c1)N 62a_100012180447_100000687067 [0,1,0,0,0,0|3,0,0]=4 899 B12R1.50 CC(CO)Sc1cncc(c1)O 62a_100012180447_100000754920 [0,1,0,0,0,0|3,0,0]=4 900 B12R1.50 CCC(=O)Cc1cccc(c1)Br 1458a_100000210414_100000211773 [0,1,0,0,0,0|2,0,1]=4 901 B12R1.50 CCC(=O)Cc1cccc(c1)Br 1458a_100000747190_100000210202 [0,1,0,0,0,0|2,0,1]=4 902 B12R1.50 CCC(=O)Cc1cccc(c1)C 1458a_100000210414_100000211840 [0,1,0,0,0,0|2,0,1]=4 903 B12R1.50 CCC(=O)Cc1cccc(c1)C 1458a_100011206899_100000210202 [0,1,0,0,0,0|2,0,1]=4 904 B12R1.50 CCC(=O)Cc1cccc(c1)Cl 1458a_100000210414_100000181238 [0,1,0,0,0,0|2,0,1]=4 905 B12R1.50 CCC(=O)Cc1cccc(c1)Cl 1458a_100000749307_100000210202 [0,1,0,0,0,0|2,0,1]=4 906 B12R1.50 CCC(=O)Cc1cccc(c1)F 1458a_100000210414_100000230114 [0,1,0,0,0,0|2,0,1]=4 907 B12R1.50 CCC(=O)Cc1cccc(c1)F 1458a_100000211661_100000210202 [0,1,0,0,0,0|2,0,1]=4 908 B12R1.50 CCC(=O)Cc1cccc(c1)I 1458a_100000210414_100011218688 [0,1,0,0,0,0|2,0,1]=4 909 B12R1.50 CCC(=O)Cc1cccc(c1)I 1458a_100000238430_100000210202 [0,1,0,0,0,0|2,0,1]=4 910 B12R1.50 CCC(=O)Cc1cccc(c1)O 1458a_100000210414_100011660834 [0,1,0,0,0,0|2,0,1]=4 911 B12R1.50 CCC(=O)Cc1cccc(c1)O 1458a_100000745134_100000210202 [0,1,0,0,0,0|2,0,1]=4 912 B12R1.50 CCC(C)Nc1cccc(c1)Br 34a_100000210019_100011215416 [0,1,0,0,0,0|3,0,0]=4 913 B12R1.50 CCC(C)Nc1cccc(c1)C 2230a_100000188690_100000758301 [0,1,0,0,0,0|3,0,0]=4 914 B12R1.50 CCC(C)Nc1cccc(c1)C 34a_100000188690_100011215416 [0,1,0,0,0,0|3,0,0]=4 915 B12R1.50 CCC(C)Nc1cccc(c1)Cl 34a_100000185859_100011215416 [0,1,0,0,0,0|3,0,0]=4 916 B12R1.50 CCC(C)Nc1cccc(c1)F 34a_100000210047_100011215416 [0,1,0,0,0,0|3,0,0]=4 917 B12R1.50 CCC(C)Nc1cccc(c1)I 34a_100000211102_100011215416 [0,1,0,0,0,0|3,0,0]=4 918 B12R1.50 CCC(C)Nc1cccc(c1)O 34a_100000210217_100011215416 [0,1,0,0,0,0|3,0,0]=4 919 B12R1.50 CCC(C)Oc1cccc(c1)Br 34a_100000210342_100011215416 [0,1,0,0,0,0|3,0,0]=4 920 B12R1.50 CCC(C)Oc1cccc(c1)Br 7a_100000210342_100000758301 [0,1,0,0,0,0|3,0,0]=4 921 B12R1.50 CCC(C)Oc1cccc(c1)C 34a_100000210337_100011215416 [0,1,0,0,0,0|3,0,0]=4 922 B12R1.50 CCC(C)Oc1cccc(c1)C 7a_100000210337_100000758301 [0,1,0,0,0,0|3,0,0]=4 923 B12R1.50 CCC(C)Oc1cccc(c1)Cl 34a_100000210295_100011215416 [0,1,0,0,0,0|3,0,0]=4 924 B12R1.50 CCC(C)Oc1cccc(c1)Cl 7a_100000210295_100000758301 [0,1,0,0,0,0|3,0,0]=4 925 B12R1.50 CCC(C)Oc1cccc(c1)F 34a_100000210426_100011215416 [0,1,0,0,0,0|3,0,0]=4 926 B12R1.50 CCC(C)Oc1cccc(c1)F 7a_100000210426_100000758301 [0,1,0,0,0,0|3,0,0]=4 927 B12R1.50 CCC(C)Oc1cccc(c1)I 34a_100000211634_100011215416 [0,1,0,0,0,0|3,0,0]=4 928 B12R1.50 CCC(C)Oc1cccc(c1)I 7a_100000211634_100000758301 [0,1,0,0,0,0|3,0,0]=4 929 B12R1.50 CCC(C)Oc1cccc(c1)N 34a_100000210217_100011215416 [0,1,0,0,0,0|3,0,0]=4 930 B12R1.50 CCC(C)Oc1cccc(c1)O 271570a_203496583355_200011236628 [0,1,0,0,0,0|3,0,0]=4 931 B12R1.50 CCC(C)Sc1cccc(c1)Br 62a_100000691529_100000758301 [0,1,0,0,0,0|3,0,0]=4 932 B12R1.50 CCC(C)Sc1cccc(c1)Br 62a_100000758301_100000691529 [0,1,0,0,0,0|3,0,0]=4 933 B12R1.50 CCC(C)Sc1cccc(c1)C 62a_100000758301_100011215228 [0,1,0,0,0,0|3,0,0]=4 934 B12R1.50 CCC(C)Sc1cccc(c1)C 62a_100011215228_100000758301 [0,1,0,0,0,0|3,0,0]=4 935 B12R1.50 CCC(C)Sc1cccc(c1)Cl 62a_100000699651_100000758301 [0,1,0,0,0,0|3,0,0]=4 936 B12R1.50 CCC(C)Sc1cccc(c1)Cl 62a_100000758301_100000699651 [0,1,0,0,0,0|3,0,0]=4 937 B12R1.50 CCC(C)Sc1cccc(c1)F 62a_100000685547_100000758301 [0,1,0,0,0,0|3,0,0]=4 938 B12R1.50 CCC(C)Sc1cccc(c1)F 62a_100000758301_100000685547 [0,1,0,0,0,0|3,0,0]=4 939 B12R1.50 CCC(C)Sc1cccc(c1)N 62a_100000210019_100000758301 [0,1,0,0,0,0|3,0,0]=4 940 B12R1.50 CCC(C)Sc1cccc(c1)N 62a_100000758301_100000210019 [0,1,0,0,0,0|3,0,0]=4 941 B12R1.50 CCC(C)Sc1cccc(c1)O 62a_100000758301_100000211634 [0,1,0,0,0,0|3,0,0]=4 942 B12R1.50 CCC(C)Sc1cccc(c1)[S] 62a_100000758301_114929384022 [0,1,0,0,0,0|3,0,0]=4 943 B12R1.50 CCC(C)Sc1cccc(c1)[S] 62a_114929384022_100000758301 [0,1,0,0,0,0|3,0,0]=4 944 B12R1.50 CCN(C)Cc1cccc(c1)Br 2230a_100000187426_200000210301 [0,1,0,0,0,0|3,0,0]=4 945 B12R1.50 CCN(C)Cc1cccc(c1)Br 2230a_100000187585_100000210202 [0,1,0,0,0,0|3,0,0]=4 946 B12R1.50 CCN(C)Cc1cccc(c1)Br 2230a_100000225621_100000698116 [0,1,0,0,0,0|3,0,0]=4 947 B12R1.50 CCN(C)Cc1cccc(c1)Br 269982a_100000187426_200000210301 [0,1,0,0,0,0|3,0,0]=4 948 B12R1.50 CCN(C)Cc1cccc(c1)Br 269982a_100000187585_100000204670 [0,1,0,0,0,0|3,0,0]=4 949 B12R1.50 CCN(C)Cc1cccc(c1)Br 269982a_100000225621_100000211773 [0,1,0,0,0,0|3,0,0]=4 950 B12R1.50 CCN(C)Cc1cccc(c1)Br 26a_100000225621_100000210342 [0,1,0,0,0,0|3,0,0]=4 951 B12R1.50 CCN(C)Cc1cccc(c1)C 2230a_100000225621_100000211840 [0,1,0,0,0,0|3,0,0]=4 952 B12R1.50 CCN(C)Cc1cccc(c1)C 2230a_102495364743_100000210202 [0,1,0,0,0,0|3,0,0]=4 953 B12R1.50 CCN(C)Cc1cccc(c1)C 2230a_102516607250_200000210301 [0,1,0,0,0,0|3,0,0]=4 954 B12R1.50 CCN(C)Cc1cccc(c1)C 269982a_100000225621_100000211840 [0,1,0,0,0,0|3,0,0]=4 955 B12R1.50 CCN(C)Cc1cccc(c1)C 269982a_102495364743_100000204670 [0,1,0,0,0,0|3,0,0]=4 956 B12R1.50 CCN(C)Cc1cccc(c1)C 269982a_102516607250_200000210301 [0,1,0,0,0,0|3,0,0]=4 957 B12R1.50 CCN(C)Cc1cccc(c1)C 34a_102495364743_100000210202 [0,1,0,0,0,0|3,0,0]=4 958 B12R1.50 CCN(C)Cc1cccc(c1)Cl 2230a_100000201194_200000210301 [0,1,0,0,0,0|3,0,0]=4 959 B12R1.50 CCN(C)Cc1cccc(c1)Cl 2230a_100000225621_100000181238 [0,1,0,0,0,0|3,0,0]=4 960 B12R1.50 CCN(C)Cc1cccc(c1)Cl 2230a_100020629429_100000210202 [0,1,0,0,0,0|3,0,0]=4 961 B12R1.50 CCN(C)Cc1cccc(c1)Cl 269982a_100000201194_200000210301 [0,1,0,0,0,0|3,0,0]=4 962 B12R1.50 CCN(C)Cc1cccc(c1)Cl 269982a_100000225621_100000181238 [0,1,0,0,0,0|3,0,0]=4 963 B12R1.50 CCN(C)Cc1cccc(c1)Cl 269982a_100020629429_100000204670 [0,1,0,0,0,0|3,0,0]=4 964 B12R1.50 CCN(C)Cc1cccc(c1)F 2230a_100000184398_100000210202 [0,1,0,0,0,0|3,0,0]=4 965 B12R1.50 CCN(C)Cc1cccc(c1)F 2230a_100000195558_200000210301 [0,1,0,0,0,0|3,0,0]=4 966 B12R1.50 CCN(C)Cc1cccc(c1)F 2230a_100000225621_100000230114 [0,1,0,0,0,0|3,0,0]=4 967 B12R1.50 CCN(C)Cc1cccc(c1)F 269982a_100000184398_100000204670 [0,1,0,0,0,0|3,0,0]=4 968 B12R1.50 CCN(C)Cc1cccc(c1)F 269982a_100000195558_200000210301 [0,1,0,0,0,0|3,0,0]=4 969 B12R1.50 CCN(C)Cc1cccc(c1)F 269982a_100000225621_100000230114 [0,1,0,0,0,0|3,0,0]=4 970 B12R1.50 CCN(C)Cc1cccc(c1)F 34a_100000184398_100000210202 [0,1,0,0,0,0|3,0,0]=4 971 B12R1.50 CCN(C)Cc1cccc(c1)F 34a_100000195558_200000210301 [0,1,0,0,0,0|3,0,0]=4 972 B12R1.50 CCN(C)Cc1cccc(c1)I 2230a_100000225621_100011218688 [0,1,0,0,0,0|3,0,0]=4 973 B12R1.50 CCN(C)Cc1cccc(c1)I 269982a_100000225621_100011218688 [0,1,0,0,0,0|3,0,0]=4 974 B12R1.50 CCN(C)Cc1cccc(c1)O 2230a_100000201218_200000210301 [0,1,0,0,0,0|3,0,0]=4 975 B12R1.50 CCN(C)Cc1cccc(c1)O 2230a_100000207540_100000210202 [0,1,0,0,0,0|3,0,0]=4 976 B12R1.50 CCN(C)Cc1cccc(c1)O 2230a_100000225621_100011660834 [0,1,0,0,0,0|3,0,0]=4 977 B12R1.50 CCN(C)Cc1cccc(c1)O 269982a_100000201218_200000210301 [0,1,0,0,0,0|3,0,0]=4 978 B12R1.50 CCN(C)Cc1cccc(c1)O 269982a_100000207540_100000204670 [0,1,0,0,0,0|3,0,0]=4 979 B12R1.50 CCN(C)Cc1cccc(c1)O 269982a_100000225621_100000084143 [0,1,0,0,0,0|3,0,0]=4 980 B12R1.50 CCN([13CH3])Cc1cccc(c1)Br 2230a_100000187426_200025704644 [0,1,0,0,0,0|3,0,0]=4 981 B12R1.50 CCN([13CH3])Cc1cccc(c1)Br 269982a_100000187426_200025704644 [0,1,0,0,0,0|3,0,0]=4 982 B12R1.50 CCN([13CH3])Cc1cccc(c1)C 2230a_102516607250_200025704644 [0,1,0,0,0,0|3,0,0]=4 983 B12R1.50 CCN([13CH3])Cc1cccc(c1)C 269982a_102516607250_200025704644 [0,1,0,0,0,0|3,0,0]=4 984 B12R1.50 CCN([13CH3])Cc1cccc(c1)Cl 2230a_100000201194_200025704644 [0,1,0,0,0,0|3,0,0]=4 985 B12R1.50 CCN([13CH3])Cc1cccc(c1)Cl 269982a_100000201194_200025704644 [0,1,0,0,0,0|3,0,0]=4 986 B12R1.50 CCN([13CH3])Cc1cccc(c1)F 2230a_100000195558_200025704644 [0,1,0,0,0,0|3,0,0]=4 987 B12R1.50 CCN([13CH3])Cc1cccc(c1)F 269982a_100000195558_200025704644 [0,1,0,0,0,0|3,0,0]=4 988 B12R1.50 CCN([13CH3])Cc1cccc(c1)F 34a_100000195558_200025704644 [0,1,0,0,0,0|3,0,0]=4 989 B12R1.50 CCN([13CH3])Cc1cccc(c1)O 2230a_100000201218_200025704644 [0,1,0,0,0,0|3,0,0]=4 990 B12R1.50 CCN([13CH3])Cc1cccc(c1)O 269982a_100000201218_200025704644 [0,1,0,0,0,0|3,0,0]=4 991 B12R1.50 CN(CF)Cc1cccc(c1)Br 269982a_100000187585_100015361967 [0,1,0,0,0,0|3,0,0]=4 992 B12R1.50 CN(CF)Cc1cccc(c1)Cl 269982a_100020629429_100015361967 [0,1,0,0,0,0|3,0,0]=4 993 B12R1.50 CN(CF)Cc1cccc(c1)F 269982a_100000184398_100015361967 [0,1,0,0,0,0|3,0,0]=4 994 B12R1.50 CN(CF)Cc1cccc(c1)F 34a_100000184398_100015361967 [0,1,0,0,0,0|3,0,0]=4 995 B12R1.50 CN(CF)Cc1cccc(c1)O 269982a_100000207540_100015361967 [0,1,0,0,0,0|3,0,0]=4 996 B12R1.50 CNC(C)Cc1cccc(c1)Br 270004a_106832991635_100000689217 [0,1,0,0,0,0|3,0,0]=4 997 B12R1.50 CNC(C)Cc1cccc(c1)Cl 270004a_106832991635_100000727212 [0,1,0,0,0,0|3,0,0]=4 998 B12R1.50 CNC(C)Cc1cccc(c1)F 270004a_106832991635_100000687711 [0,1,0,0,0,0|3,0,0]=4 999 B12R1.50 C[C@H](CO)Nc1cc(ccn1)F 27a_100000737577_100000764206 [0,1,0,0,0,0|3,0,0]=4 1000 B12R1.50 C[C@H](CO)Nc1cc[nH]c(=O)c1 27a_100000737577_100000061649 [0,1,0,0,0,0|3,0,0]=4 1001 B12R1.50 C[C@H](CO)Nc1cccc(n1)F 27a_100000737577_100009815982 [0,1,0,0,0,0|3,0,0]=4 1002 B12R1.50 C[C@H](CO)Nc1ccnc(c1)F 27a_100000737577_100009816116 [0,1,0,0,0,0|3,0,0]=4 1003 B12R1.50 C[C@H](CO)Sc1cc(=O)cc[nH]1 62a_100009817434_100016084084 [0,1,0,0,0,0|3,0,0]=4 1004 B12R1.50 C[C@H](CO)Sc1cc(ccn1)Cl 62a_100010167805_100016084084 [0,1,0,0,0,0|3,0,0]=4 1005 B12R1.50 C[C@H](CO)Sc1cc(ccn1)Cl 62a_100016084084_100010167805 [0,1,0,0,0,0|3,0,0]=4 1006 B12R1.50 C[C@H](CO)Sc1cc(ccn1)F 62a_100000764206_100016084084 [0,1,0,0,0,0|3,0,0]=4 1007 B12R1.50 C[C@H](CO)Sc1cc(ccn1)F 62a_100016084084_100000764206 [0,1,0,0,0,0|3,0,0]=4 1008 B12R1.50 C[C@H](CO)Sc1cc(ccn1)N 62a_100009814236_100016084084 [0,1,0,0,0,0|3,0,0]=4 1009 B12R1.50 C[C@H](CO)Sc1cc(ccn1)N 62a_100016084084_100009814236 [0,1,0,0,0,0|3,0,0]=4 1010 B12R1.50 C[C@H](CO)Sc1cc(ccn1)O 62a_100016084084_100000762945 [0,1,0,0,0,0|3,0,0]=4 1011 B12R1.50 C[C@H](CO)Sc1cc[nH]c(=O)c1 62a_100009816521_100016084084 [0,1,0,0,0,0|3,0,0]=4 1012 B12R1.50 C[C@H](CO)Sc1cc[nH]c(=O)c1 62a_100016084084_100009816521 [0,1,0,0,0,0|3,0,0]=4 1013 B12R1.50 C[C@H](CO)Sc1ccc[n+](c1)C 62a_100009996589_100016084084 [0,1,0,0,0,0|3,0,0]=4 1014 B12R1.50 C[C@H](CO)Sc1ccc[n+](c1)C 62a_100016084084_100009996589 [0,1,0,0,0,0|3,0,0]=4 1015 B12R1.50 C[C@H](CO)Sc1ccc[n+](c1)[O-] 62a_100016084084_100009815978 [0,1,0,0,0,0|3,0,0]=4 1016 B12R1.50 C[C@H](CO)Sc1cccc(=O)[nH]1 62a_100016084084_100000752884 [0,1,0,0,0,0|3,0,0]=4 1017 B12R1.50 C[C@H](CO)Sc1cccc(c1)Br 62a_100000691529_100016084084 [0,1,0,0,0,0|2,0,0]=3 1018 B12R1.50 C[C@H](CO)Sc1cccc(c1)Br 62a_100016084084_100000691529 [0,1,0,0,0,0|2,0,0]=3 1019 B12R1.50 C[C@H](CO)Sc1cccc(c1)Cl 62a_100000699651_100016084084 [0,1,0,0,0,0|2,0,0]=3 1020 B12R1.50 C[C@H](CO)Sc1cccc(c1)Cl 62a_100016084084_100000699651 [0,1,0,0,0,0|2,0,0]=3 1021 B12R1.50 C[C@H](CO)Sc1cccc(c1)F 62a_100000685547_100016084084 [0,1,0,0,0,0|2,0,0]=3 1022 B12R1.50 C[C@H](CO)Sc1cccc(c1)F 62a_100016084084_100000685547 [0,1,0,0,0,0|2,0,0]=3 1023 B12R1.50 C[C@H](CO)Sc1cccc(c1)N 62a_100000210019_100016084084 [0,1,0,0,0,0|2,0,0]=3 1024 B12R1.50 C[C@H](CO)Sc1cccc(c1)N 62a_100016084084_100000210019 [0,1,0,0,0,0|2,0,0]=3 1025 B12R1.50 C[C@H](CO)Sc1cccc(c1)O 62a_100016084084_100000211634 [0,1,0,0,0,0|2,0,0]=3 1026 B12R1.50 C[C@H](CO)Sc1cccc(c1)[S] 62a_100016084084_114929384022 [0,1,0,0,0,0|2,0,0]=3 1027 B12R1.50 C[C@H](CO)Sc1cccc(c1)[S] 62a_114929384022_100016084084 [0,1,0,0,0,0|2,0,0]=3 1028 B12R1.50 C[C@H](CO)Sc1cccc(n1)Br 62a_100000684672_100016084084 [0,1,0,0,0,0|3,0,0]=4 1029 B12R1.50 C[C@H](CO)Sc1cccc(n1)Br 62a_100016084084_100000684672 [0,1,0,0,0,0|3,0,0]=4 1030 B12R1.50 C[C@H](CO)Sc1cccc(n1)Cl 62a_100000051397_100016084084 [0,1,0,0,0,0|3,0,0]=4 1031 B12R1.50 C[C@H](CO)Sc1cccc(n1)Cl 62a_100016084084_100000051397 [0,1,0,0,0,0|3,0,0]=4 1032 B12R1.50 C[C@H](CO)Sc1cccc(n1)F 62a_100009815982_100016084084 [0,1,0,0,0,0|3,0,0]=4 1033 B12R1.50 C[C@H](CO)Sc1cccc(n1)F 62a_100016084084_100009815982 [0,1,0,0,0,0|3,0,0]=4 1034 B12R1.50 C[C@H](CO)Sc1cccc(n1)N 62a_100000740741_100016084084 [0,1,0,0,0,0|3,0,0]=4 1035 B12R1.50 C[C@H](CO)Sc1cccc(n1)N 62a_100016084084_100000740741 [0,1,0,0,0,0|3,0,0]=4 1036 B12R1.50 C[C@H](CO)Sc1ccnc(c1)Br 62a_100009814637_100016084084 [0,1,0,0,0,0|3,0,0]=4 1037 B12R1.50 C[C@H](CO)Sc1ccnc(c1)Br 62a_100016084084_100009814637 [0,1,0,0,0,0|3,0,0]=4 1038 B12R1.50 C[C@H](CO)Sc1ccnc(c1)Cl 62a_100000035001_100016084084 [0,1,0,0,0,0|3,0,0]=4 1039 B12R1.50 C[C@H](CO)Sc1ccnc(c1)Cl 62a_100016084084_100000035001 [0,1,0,0,0,0|3,0,0]=4 1040 B12R1.50 C[C@H](CO)Sc1ccnc(c1)F 62a_100009816116_100016084084 [0,1,0,0,0,0|3,0,0]=4 1041 B12R1.50 C[C@H](CO)Sc1ccnc(c1)F 62a_100016084084_100009816116 [0,1,0,0,0,0|3,0,0]=4 1042 B12R1.50 C[C@H](CO)Sc1ccnc(c1)N 62a_100000049665_100016084084 [0,1,0,0,0,0|3,0,0]=4 1043 B12R1.50 C[C@H](CO)Sc1ccnc(c1)N 62a_100016084084_100000049665 [0,1,0,0,0,0|3,0,0]=4 1044 B12R1.50 C[C@H](CO)Sc1cncc(c1)Br 62a_100000728054_100016084084 [0,1,0,0,0,0|3,0,0]=4 1045 B12R1.50 C[C@H](CO)Sc1cncc(c1)Br 62a_100016084084_100000728054 [0,1,0,0,0,0|3,0,0]=4 1046 B12R1.50 C[C@H](CO)Sc1cncc(c1)Cl 62a_100000049639_100016084084 [0,1,0,0,0,0|3,0,0]=4 1047 B12R1.50 C[C@H](CO)Sc1cncc(c1)Cl 62a_100016084084_100000049639 [0,1,0,0,0,0|3,0,0]=4 1048 B12R1.50 C[C@H](CO)Sc1cncc(c1)F 62a_100000744099_100016084084 [0,1,0,0,0,0|3,0,0]=4 1049 B12R1.50 C[C@H](CO)Sc1cncc(c1)F 62a_100016084084_100000744099 [0,1,0,0,0,0|3,0,0]=4 1050 B12R1.50 C[C@H](CO)Sc1cncc(c1)N 62a_100000687067_100016084084 [0,1,0,0,0,0|3,0,0]=4 1051 B12R1.50 C[C@H](CO)Sc1cncc(c1)N 62a_100016084084_100000687067 [0,1,0,0,0,0|3,0,0]=4 1052 B12R1.50 C[C@H](CO)Sc1cncc(c1)O 62a_100000754920_100016084084 [0,1,0,0,0,0|3,0,0]=4 1053 B12R1.50 C[C@H](CO)Sc1cncc(c1)O 62a_100016084084_100000754920 [0,1,0,0,0,0|3,0,0]=4 1054 B12R1.50 Cc1cc(ccn1)CC(=O)CO 1458a_100000210174_200020672517 [0,1,0,0,0,0|2,0,1]=4 1055 B12R1.50 Cc1cc(ccn1)N[C@H](C)CO 27a_100000737577_100000758586 [0,1,0,0,0,0|3,0,0]=4 1056 B12R1.50 Cc1cc(ccn1)OC(C)CO 34a_100000688365_100012180447 [0,1,0,0,0,0|3,0,0]=4 1057 B12R1.50 Cc1cc(ccn1)SC(C)CO 62a_100012180447_100000758586 [0,1,0,0,0,0|3,0,0]=4 1058 B12R1.50 Cc1cc(ccn1)S[C@H](C)CO 62a_100000758586_100016084084 [0,1,0,0,0,0|3,0,0]=4 1059 B12R1.50 Cc1cc(ccn1)S[C@H](C)CO 62a_100016084084_100000758586 [0,1,0,0,0,0|3,0,0]=4 1060 B12R1.50 Cc1cccc(c1)CC(=O)CF 1458a_100011206899_100015361967 [0,1,0,0,0,0|2,0,1]=4 1061 B12R1.50 Cc1cccc(c1)CC(=O)CO 1458a_100000210174_100000211840 [0,1,0,0,0,0|1,0,1]=3 1062 B12R1.50 Cc1cccc(c1)CN(C)CF 269982a_102495364743_100015361967 [0,1,0,0,0,0|3,0,0]=4 1063 B12R1.50 Cc1cccc(c1)CN(C)CF 34a_102495364743_100015361967 [0,1,0,0,0,0|3,0,0]=4 1064 B12R1.50 Cc1cccc(c1)NC(=O)CO 22a_100000188690_100000210174 [0,1,0,0,0,0|2,0,1]=4 1065 B12R1.50 Cc1cccc(c1)NC(=O)CO 527a_100000188690_100000210174 [0,1,0,0,0,0|2,0,1]=4 1066 B12R1.50 Cc1cccc(c1)NC(C)CO 2230a_100000188690_100012180447 [0,1,0,0,0,0|2,0,0]=3 1067 B12R1.50 Cc1cccc(c1)NC(C)CO 34a_100000188690_100012180447 [0,1,0,0,0,0|2,0,0]=3 1068 B12R1.50 Cc1cccc(c1)OC(C)CO 34a_100000210337_100012180447 [0,1,0,0,0,0|2,0,0]=3 1069 B12R1.50 Cc1cccc(c1)OC(C)CO 7a_100000210337_100012180447 [0,1,0,0,0,0|2,0,0]=3 1070 B12R1.50 Cc1cccc(c1)SC(C)CO 62a_100012180447_100011215228 [0,1,0,0,0,0|2,0,0]=3 1071 B12R1.50 Cc1cccc(c1)S[C@H](C)CO 62a_100011215228_100016084084 [0,1,0,0,0,0|2,0,0]=3 1072 B12R1.50 Cc1cccc(c1)S[C@H](C)CO 62a_100016084084_100011215228 [0,1,0,0,0,0|2,0,0]=3 1073 B12R1.50 Cc1cccc(n1)CC(=O)CO 1458a_100000210174_100000757606 [0,1,0,0,0,0|2,0,1]=4 1074 B12R1.50 Cc1cccc(n1)SC(C)CO 62a_100012180447_100000742759 [0,1,0,0,0,0|3,0,0]=4 1075 B12R1.50 Cc1cccc(n1)S[C@H](C)CO 62a_100000742759_100016084084 [0,1,0,0,0,0|3,0,0]=4 1076 B12R1.50 Cc1cccc(n1)S[C@H](C)CO 62a_100016084084_100000742759 [0,1,0,0,0,0|3,0,0]=4 1077 B12R1.50 Cc1ccnc(c1)CC(=O)CO 1458a_100000210174_100000718516 [0,1,0,0,0,0|2,0,1]=4 1078 B12R1.50 Cc1ccnc(c1)SC(C)CO 62a_100012180447_100000750283 [0,1,0,0,0,0|3,0,0]=4 1079 B12R1.50 Cc1ccnc(c1)S[C@H](C)CO 62a_100000750283_100016084084 [0,1,0,0,0,0|3,0,0]=4 1080 B12R1.50 Cc1ccnc(c1)S[C@H](C)CO 62a_100016084084_100000750283 [0,1,0,0,0,0|3,0,0]=4 1081 B12R1.50 Cc1cncc(c1)CC(=O)CO 1458a_100000210174_100000716715 [0,1,0,0,0,0|2,0,1]=4 1082 B12R1.50 Cc1cncc(c1)OC(C)CO 34a_100011830280_100012180447 [0,1,0,0,0,0|3,0,0]=4 1083 B12R1.50 Cc1cncc(c1)OC(C)CO 7a_100011830280_100012180447 [0,1,0,0,0,0|3,0,0]=4 1084 B12R1.50 Cc1cncc(c1)SC(C)CO 62a_100012180447_100000760492 [0,1,0,0,0,0|3,0,0]=4 1085 B12R1.50 Cc1cncc(c1)S[C@H](C)CO 62a_100000760492_100016084084 [0,1,0,0,0,0|3,0,0]=4 1086 B12R1.50 Cc1cncc(c1)S[C@H](C)CO 62a_100016084084_100000760492 [0,1,0,0,0,0|3,0,0]=4 1087 B12R1.50 NC(CO)Cc1cccc(c1)O 271570a_203496583355_114802770106 [0,1,0,0,0,0|0,0,0]=1 1088 B12R1.50 O=C(CF)Cc1cccc(c1)Br 1458a_100000747190_100015361967 [0,1,0,0,0,0|2,0,1]=4 1089 B12R1.50 O=C(CF)Cc1cccc(c1)Cl 1458a_100000749307_100015361967 [0,1,0,0,0,0|2,0,1]=4 1090 B12R1.50 O=C(CF)Cc1cccc(c1)F 1458a_100000211661_100015361967 [0,1,0,0,0,0|2,0,1]=4 1091 B12R1.50 O=C(CF)Cc1cccc(c1)I 1458a_100000238430_100015361967 [0,1,0,0,0,0|2,0,1]=4 1092 B12R1.50 O=C(CF)Cc1cccc(c1)O 1458a_100000745134_100015361967 [0,1,0,0,0,0|2,0,1]=4 1093 B12R1.50 O=C(CO)Cc1cc(ccn1)Br 1458a_100000210174_100010173614 [0,1,0,0,0,0|2,0,1]=4 1094 B12R1.50 O=C(CO)Cc1cc(ccn1)Cl 1458a_100000210174_100016988179 [0,1,0,0,0,0|2,0,1]=4 1095 B12R1.50 O=C(CO)Cc1cccc(c1)Br 1458a_100000210174_100000211773 [0,1,0,0,0,0|1,0,1]=3 1096 B12R1.50 O=C(CO)Cc1cccc(c1)Cl 1458a_100000210174_100000181238 [0,1,0,0,0,0|1,0,1]=3 1097 B12R1.50 O=C(CO)Cc1cccc(c1)F 1458a_100000210174_100000230114 [0,1,0,0,0,0|1,0,1]=3 1098 B12R1.50 O=C(CO)Cc1cccc(c1)I 1458a_100000210174_100011218688 [0,1,0,0,0,0|1,0,1]=3 1099 B12R1.50 O=C(CO)Cc1cccc(c1)O 1458a_100000210174_100011660834 [0,1,0,0,0,0|1,0,1]=3 1100 B12R1.50 O=C(CO)Cc1cccc(n1)Br 1458a_100000210174_100009889011 [0,1,0,0,0,0|2,0,1]=4 1101 B12R1.50 O=C(CO)Cc1cccc(n1)Cl 1458a_100000210174_100000086093 [0,1,0,0,0,0|2,0,1]=4 1102 B12R1.50 O=C(CO)Cc1cccc(n1)F 1458a_100000210174_100009819644 [0,1,0,0,0,0|2,0,1]=4 1103 B12R1.50 O=C(CO)Cc1ccnc(c1)Br 1458a_100000210174_100010243470 [0,1,0,0,0,0|2,0,1]=4 1104 B12R1.50 O=C(CO)Cc1ccnc(c1)Cl 1458a_100000210174_100000764220 [0,1,0,0,0,0|2,0,1]=4 1105 B12R1.50 O=C(CO)Cc1cncc(c1)Br 1458a_100000210174_100011740620 [0,1,0,0,0,0|2,0,1]=4 1106 B12R1.50 O=C(CO)Cc1cncc(c1)Cl 1458a_100000210174_100016992070 [0,1,0,0,0,0|2,0,1]=4 1107 B12R1.50 O=C(CO)Cc1cncc(c1)F 1458a_100000210174_100000725299 [0,1,0,0,0,0|2,0,1]=4 1108 B12R1.50 O=C(CO)Nc1cccc(c1)Br 22a_100000210019_100000210174 [0,1,0,0,0,0|2,0,1]=4 1109 B12R1.50 O=C(CO)Nc1cccc(c1)Br 527a_100000210019_100000210174 [0,1,0,0,0,0|2,0,1]=4 1110 B12R1.50 O=C(CO)Nc1cccc(c1)Cl 22a_100000185859_100000210174 [0,1,0,0,0,0|2,0,1]=4 1111 B12R1.50 O=C(CO)Nc1cccc(c1)F 22a_100000210047_100000210174 [0,1,0,0,0,0|2,0,1]=4 1112 B12R1.50 O=C(CO)Nc1cccc(c1)F 527a_100000210047_100000210174 [0,1,0,0,0,0|2,0,1]=4 1113 B12R1.50 O=C(CO)Nc1cccc(c1)I 22a_100000211102_100000210174 [0,1,0,0,0,0|2,0,1]=4 1114 B12R1.50 O=C(CO)Nc1cccc(c1)I 527a_100000211102_100000210174 [0,1,0,0,0,0|2,0,1]=4 1115 B12R1.50 O=C(CO)Nc1cccc(c1)O 22a_100000210217_100000210174 [0,1,0,0,0,0|2,0,1]=4 1116 B12R1.50 O=C(CO)Nc1cccc(c1)O 527a_100000210217_100000210174 [0,1,0,0,0,0|2,0,1]=4 1117 B12R1.118 C#CC(Cc1ccccc1)OC 34a_100000685211_200000210301 [0,1,0,0,0,0|2,0,1]=4 1118 B12R1.118 C#CC(Cc1ccccc1)OC 7a_100000685211_200000210301 [0,1,0,0,0,0|2,0,1]=4 1119 B12R1.118 C#CC(Cc1ccccc1)O[13CH3] 34a_100000685211_200025704644 [0,1,0,0,0,0|2,0,1]=4 1120 B12R1.118 C#CC(Cc1ccccc1)O[13CH3] 7a_100000685211_200025704644 [0,1,0,0,0,0|2,0,1]=4 1121 B12R1.118 CCC(CC)Oc1ccccc1 7a_100000210340_100000210505 [0,1,0,0,0,0|3,0,0]=4 1122 B12R1.118 CCC(CC)Sc1ccccc1 62a_100000210505_100000041952 [0,1,0,0,0,0|3,0,0]=4 1123 B12R1.118 CCC(CC)Sc1ccccc1 62a_100000719477_100000210505 [0,1,0,0,0,0|3,0,0]=4 1124 B12R1.118 CCC(Cc1ccccc1)NC 270004a_106832991635_100000212045 [0,1,0,0,0,0|1,0,0]=2 1125 B12R1.118 CCC(Cc1ccccc1)OC 7a_100000760156_200000210301 [0,1,0,0,0,0|2,0,0]=3 1126 B12R1.118 CCC(Cc1ccccc1)O[13CH3] 7a_100000760156_200025704644 [0,1,0,0,0,0|2,0,0]=3 1127 B12R1.118 CCN(CC)Cc1ccccc1 2230a_100000186914_100000210202 [0,1,0,0,0,0|3,0,0]=4 1128 B12R1.118 CCN(CC)Cc1ccccc1 2230a_100000724800_100015291786 [0,1,0,0,0,0|3,0,0]=4 1129 B12R1.118 CCN(CC)Cc1ccccc1 269956a_100000042499_100015291786 [0,1,0,0,0,0|3,0,0]=4 1130 B12R1.118 CCN(CC)Cc1ccccc1 269982a_100000186914_100000204670 [0,1,0,0,0,0|3,0,0]=4 1131 B12R1.118 CCN(CC)Cc1ccccc1 269982a_100000724800_100000211182 [0,1,0,0,0,0|3,0,0]=4 1132 B12R1.118 CCN(CC)Cc1ccccc1 270004a_100000724800_100015611070 [0,1,0,0,0,0|3,0,0]=4 1133 B12R1.118 CCN(CF)Cc1ccccc1 269982a_100000186914_100015361967 [0,1,0,0,0,0|3,0,0]=4 1134 B12R1.118 CNC(C#N)Cc1ccccc1 2230a_100000746547_200000210301 [0,1,0,0,0,0|1,0,1]=3 1135 B12R1.118 CNC(C#N)Cc1ccccc1 7a_106832991635_100000183401 [0,1,0,0,0,0|1,0,1]=3 1136 B12R1.118 CNC(CO)Cc1ccccc1 2230a_100000739027_200000210301 [0,1,0,0,0,0|0,0,0]=1 1137 B12R1.118 CNC(CO)Cc1cccnc1 2230a_100000717814_200000210301 [0,1,0,0,0,0|1,0,0]=2 1138 B12R1.118 CNC(CO)Cc1ccncc1 2230a_100000717866_200000210301 [0,1,0,0,0,0|1,0,0]=2 1139 B12R1.118 COC(CN)Cc1ccccc1 34a_100000752270_200000210301 [0,1,0,0,0,0|2,0,0]=3 1140 B12R1.118 CO[C@H](CCl)Cc1ccccc1 7a_100000729385_200000210301 [0,1,0,0,0,0|2,0,0]=3 1141 B12R1.118 CSC(C#N)Cc1ccccc1 62a_100000183401_200000210301 [0,1,0,0,0,0|2,0,1]=4 1142 B12R1.118 CSC(C#N)Cc1ccccc1 62a_200000210301_100000183401 [0,1,0,0,0,0|2,0,1]=4 1143 B12R1.118 [13CH3]NC(C#N)Cc1ccccc1 2230a_100000746547_200025704644 [0,1,0,0,0,0|1,0,1]=3 1144 B12R1.118 [13CH3]NC(CO)Cc1ccccc1 2230a_100000739027_200025704644 [0,1,0,0,0,0|0,0,0]=1 1145 B12R1.118 [13CH3]NC(CO)Cc1cccnc1 2230a_100000717814_200025704644 [0,1,0,0,0,0|1,0,0]=2 1146 B12R1.118 [13CH3]NC(CO)Cc1ccncc1 2230a_100000717866_200025704644 [0,1,0,0,0,0|1,0,0]=2 1147 B12R1.118 [13CH3]OC(CN)Cc1ccccc1 34a_100000752270_200025704644 [0,1,0,0,0,0|2,0,0]=3 1148 B12R1.118 [13CH3]O[C@H](CCl)Cc1ccccc1 7a_100000729385_200025704644 [0,1,0,0,0,0|2,0,0]=3 1149 B12R1.118 [13CH3]SC(C#N)Cc1ccccc1 62a_100000183401_200025704644 [0,1,0,0,0,0|2,0,1]=4 1150 B12R1.118 [13CH3]SC(C#N)Cc1ccccc1 62a_200025704644_100000183401 [0,1,0,0,0,0|2,0,1]=4 1151 B12R1.194 CC(C)(Cc1ccccc1)O[13CH3] 7a_100011215222_200025704644 [0,1,0,0,0,0|3,0,0]=4 1152 B12R1.194 CCC(C)(C)Oc1ccccc1 7a_100000210340_100000210677 [0,1,0,0,0,0|3,0,0]=4 1153 B12R1.194 CCC(C)(C)Sc1ccccc1 62a_100000032637_100000041952 [0,1,0,0,0,0|3,0,0]=4 1154 B12R1.194 CCC(C)(C)Sc1ccccc1 62a_100000719477_100000032637 [0,1,0,0,0,0|3,0,0]=4 1155 B12R1.194 COC(C)(C)Cc1ccccc1 7a_100011215222_200000210301 [0,1,0,0,0,0|3,0,0]=4 1156 B12R1.194 OCC(F)(F)Sc1ccccc1 62a_100000719477_100011217949 [0,1,0,0,0,0|2,0,0]=3 1157 B12R1.194 OCC(F)(F)Sc1ccccc1 62a_100011217949_100000041952 [0,1,0,0,0,0|2,0,0]=3 1158 B12R1.194 OCC(F)(F)Sc1ccccn1 62a_100011216584_100011217949 [0,1,0,0,0,0|3,0,0]=4 1159 B12R1.194 OCC(F)(F)Sc1ccccn1 62a_100011217949_100011216584 [0,1,0,0,0,0|3,0,0]=4 1160 B12R1.194 OCC(F)(F)Sc1cccnc1 62a_100000210063_100011217949 [0,1,0,0,0,0|3,0,0]=4 1161 B12R1.194 OCC(F)(F)Sc1cccnc1 62a_100011217949_100000210063 [0,1,0,0,0,0|3,0,0]=4 1162 B12R1.194 OCC(F)(F)Sc1ccncc1 62a_100000728582_100011217949 [0,1,0,0,0,0|3,0,0]=4 1163 B12R1.194 OCC(F)(F)Sc1ccncc1 62a_100011217949_100000728582 [0,1,0,0,0,0|3,0,0]=4 1164 B12R1.371 CC(CO)Nc1ccccc1Br 34a_100000210017_100012180447 [0,1,0,0,0,0|2,0,0]=3 1165 B12R1.371 CC(CO)Nc1ccccc1Cl 34a_100000185783_100012180447 [0,1,0,0,0,0|2,0,0]=3 1166 B12R1.371 CC(CO)Nc1ccccc1F 34a_100000210422_100012180447 [0,1,0,0,0,0|2,0,0]=3 1167 B12R1.371 CC(CO)Nc1ccccc1I 34a_100000210053_100012180447 [0,1,0,0,0,0|2,0,0]=3 1168 B12R1.371 CC(CO)Nc1ccccc1O 34a_100000185747_100012180447 [0,1,0,0,0,0|2,0,0]=3 1169 B12R1.371 CC(CO)Oc1cccc[n+]1[O-] 7a_100000211761_100012180447 [0,1,0,0,0,0|3,0,0]=4 1170 B12R1.371 CC(CO)Oc1ccccc1Br 34a_100000181306_100012180447 [0,1,0,0,0,0|2,0,0]=3 1171 B12R1.371 CC(CO)Oc1ccccc1Br 7a_100000181306_100012180447 [0,1,0,0,0,0|2,0,0]=3 1172 B12R1.371 CC(CO)Oc1ccccc1Cl 34a_100000210172_100012180447 [0,1,0,0,0,0|2,0,0]=3 1173 B12R1.371 CC(CO)Oc1ccccc1Cl 7a_100000210172_100012180447 [0,1,0,0,0,0|2,0,0]=3 1174 B12R1.371 CC(CO)Oc1ccccc1F 34a_100000210171_100012180447 [0,1,0,0,0,0|2,0,0]=3 1175 B12R1.371 CC(CO)Oc1ccccc1F 7a_100000210171_100012180447 [0,1,0,0,0,0|2,0,0]=3 1176 B12R1.371 CC(CO)Oc1ccccc1I 34a_100000739446_100012180447 [0,1,0,0,0,0|2,0,0]=3 1177 B12R1.371 CC(CO)Oc1ccccc1I 7a_100000739446_100012180447 [0,1,0,0,0,0|2,0,0]=3 1178 B12R1.371 CC(CO)Oc1ccccc1N 34a_100000185747_100012180447 [0,1,0,0,0,0|2,0,0]=3 1179 B12R1.371 CC(CO)Oc1ccccc1N 7a_100000185747_100012180447 [0,1,0,0,0,0|2,0,0]=3 1180 B12R1.371 CC(CO)Oc1cccnc1Br 34a_100000744436_100012180447 [0,1,0,0,0,0|3,0,0]=4 1181 B12R1.371 CC(CO)Oc1cccnc1Br 7a_100000744436_100012180447 [0,1,0,0,0,0|3,0,0]=4 1182 B12R1.371 CC(CO)Oc1cccnc1Cl 34a_100000757616_100012180447 [0,1,0,0,0,0|3,0,0]=4 1183 B12R1.371 CC(CO)Oc1cccnc1Cl 7a_100000757616_100012180447 [0,1,0,0,0,0|3,0,0]=4 1184 B12R1.371 CC(CO)Oc1cccnc1F 34a_100000061740_100012180447 [0,1,0,0,0,0|3,0,0]=4 1185 B12R1.371 CC(CO)Oc1cccnc1F 7a_100000061740_100012180447 [0,1,0,0,0,0|3,0,0]=4 1186 B12R1.371 CC(CO)Oc1cccnc1I 34a_100000034122_100012180447 [0,1,0,0,0,0|3,0,0]=4 1187 B12R1.371 CC(CO)Oc1cccnc1I 7a_100000034122_100012180447 [0,1,0,0,0,0|3,0,0]=4 1188 B12R1.371 CC(CO)Oc1cccnc1N 34a_100000211975_100012180447 [0,1,0,0,0,0|3,0,0]=4 1189 B12R1.371 CC(CO)Oc1cccnc1N 7a_100000211975_100012180447 [0,1,0,0,0,0|3,0,0]=4 1190 B12R1.371 CC(CO)Oc1cccoc1=O 34a_100000077404_100012180447 [0,1,0,0,0,0|3,0,0]=4 1191 B12R1.371 CC(CO)Oc1cccoc1=O 7a_100000077404_100012180447 [0,1,0,0,0,0|3,0,0]=4 1192 B12R1.371 CC(CO)Oc1ccncc1Br 34a_100011996408_100012180447 [0,1,0,0,0,0|3,0,0]=4 1193 B12R1.371 CC(CO)Oc1ccncc1Cl 34a_100011997054_100012180447 [0,1,0,0,0,0|3,0,0]=4 1194 B12R1.371 CC(CO)Oc1ccncc1F 34a_200000081243_100012180447 [0,1,0,0,0,0|3,0,0]=4 1195 B12R1.371 CC(CO)Oc1cnccc1Cl 34a_100011996695_100012180447 [0,1,0,0,0,0|3,0,0]=4 1196 B12R1.371 CC(CO)Oc1cnccc1I 34a_100000050107_100012180447 [0,1,0,0,0,0|3,0,0]=4 1197 B12R1.371 CC(CO)Oc1cnccc1N 34a_100000753702_100012180447 [0,1,0,0,0,0|3,0,0]=4 1198 B12R1.371 CC(CO)Oc1coccc1=O 34a_100000060831_100012180447 [0,1,0,0,0,0|3,0,0]=4 1199 B12R1.371 CC(CO)Oc1ncccc1Cl 34a_100011290957_100012180447 [0,1,0,0,0,0|3,0,0]=4 1200 B12R1.371 CC(CO)Oc1ncccc1F 34a_100011219419_100012180447 [0,1,0,0,0,0|3,0,0]=4 1201 B12R1.371 CC(CO)Oc1ncccc1N 34a_100000746358_100012180447 [0,1,0,0,0,0|3,0,0]=4 1202 B12R1.371 CC(CO)Sc1c[nH]ccc1=O 62a_100012180447_100009998708 [0,1,0,0,0,0|3,0,0]=4 1203 B12R1.371 CC(CO)Sc1c[nH]ccc1=S 62a_100012180447_200012280681 [0,1,0,0,0,0|3,0,0]=4 1204 B12R1.371 CC(CO)Sc1cccc[n+]1C 62a_100012180447_100000212160 [0,1,0,0,0,0|3,0,0]=4 1205 B12R1.371 CC(CO)Sc1cccc[n+]1[O-] 62a_100012180447_200000042595 [0,1,0,0,0,0|3,0,0]=4 1206 B12R1.371 CC(CO)Sc1ccccc1Br 62a_100012180447_100000695589 [0,1,0,0,0,0|2,0,0]=3 1207 B12R1.371 CC(CO)Sc1ccccc1Cl 62a_100012180447_100000764095 [0,1,0,0,0,0|2,0,0]=3 1208 B12R1.371 CC(CO)Sc1ccccc1F 62a_100012180447_100011215700 [0,1,0,0,0,0|2,0,0]=3 1209 B12R1.371 CC(CO)Sc1ccccc1N 62a_100012180447_100000210017 [0,1,0,0,0,0|2,0,0]=3 1210 B12R1.371 CC(CO)Sc1ccccc1O 62a_100012180447_100000739446 [0,1,0,0,0,0|2,0,0]=3 1211 B12R1.371 CC(CO)Sc1cccnc1Br 62a_100012180447_100010202626 [0,1,0,0,0,0|3,0,0]=4 1212 B12R1.371 CC(CO)Sc1cccnc1Cl 62a_100012180447_100000036424 [0,1,0,0,0,0|3,0,0]=4 1213 B12R1.371 CC(CO)Sc1cccnc1F 62a_100012180447_100009816115 [0,1,0,0,0,0|3,0,0]=4 1214 B12R1.371 CC(CO)Sc1cccnc1N 62a_100012180447_100000045569 [0,1,0,0,0,0|3,0,0]=4 1215 B12R1.371 CC(CO)Sc1cccnc1O 62a_100012180447_100000760158 [0,1,0,0,0,0|3,0,0]=4 1216 B12R1.371 CC(CO)Sc1ccncc1Br 62a_100012180447_100000726257 [0,1,0,0,0,0|3,0,0]=4 1217 B12R1.371 CC(CO)Sc1ccncc1Cl 62a_100012180447_100000708259 [0,1,0,0,0,0|3,0,0]=4 1218 B12R1.371 CC(CO)Sc1ccncc1F 62a_100012180447_100000047030 [0,1,0,0,0,0|3,0,0]=4 1219 B12R1.371 CC(CO)Sc1ccncc1N 62a_100012180447_100000756074 [0,1,0,0,0,0|3,0,0]=4 1220 B12R1.371 CC(CO)Sc1ccncc1O 62a_100012180447_100009817591 [0,1,0,0,0,0|3,0,0]=4 1221 B12R1.371 CC(CO)Sc1cnccc1Br 62a_100012180447_100010138639 [0,1,0,0,0,0|3,0,0]=4 1222 B12R1.371 CC(CO)Sc1cnccc1Cl 62a_100012180447_100009995489 [0,1,0,0,0,0|3,0,0]=4 1223 B12R1.371 CC(CO)Sc1cnccc1F 62a_100012180447_100009820683 [0,1,0,0,0,0|3,0,0]=4 1224 B12R1.371 CC(CO)Sc1cnccc1N 62a_100012180447_100000047001 [0,1,0,0,0,0|3,0,0]=4 1225 B12R1.371 CC(CO)Sc1ncccc1Br 62a_100012180447_100000696092 [0,1,0,0,0,0|3,0,0]=4 1226 B12R1.371 CC(CO)Sc1ncccc1Cl 62a_100012180447_100011356963 [0,1,0,0,0,0|3,0,0]=4 1227 B12R1.371 CC(CO)Sc1ncccc1F 62a_100012180447_100000685392 [0,1,0,0,0,0|3,0,0]=4 1228 B12R1.371 CC(CO)Sc1ncccc1N 62a_100012180447_100000688686 [0,1,0,0,0,0|3,0,0]=4 1229 B12R1.371 CC(CO)Sc1ncccc1O 62a_100012180447_100000034122 [0,1,0,0,0,0|3,0,0]=4 1230 B12R1.371 CCC(=O)Cc1ccccc1Br 1458a_100000210414_100000184730 [0,1,0,0,0,0|2,0,1]=4 1231 B12R1.371 CCC(=O)Cc1ccccc1Br 1458a_100000751119_100000210202 [0,1,0,0,0,0|2,0,1]=4 1232 B12R1.371 CCC(=O)Cc1ccccc1C 1458a_100000210414_100000211839 [0,1,0,0,0,0|2,0,1]=4 1233 B12R1.371 CCC(=O)Cc1ccccc1C 1458a_100000212180_100000210202 [0,1,0,0,0,0|2,0,1]=4 1234 B12R1.371 CCC(=O)Cc1ccccc1Cl 1458a_100000183793_100000210202 [0,1,0,0,0,0|2,0,1]=4 1235 B12R1.371 CCC(=O)Cc1ccccc1Cl 1458a_100000210414_100000187162 [0,1,0,0,0,0|2,0,1]=4 1236 B12R1.371 CCC(=O)Cc1ccccc1F 1458a_100000210414_100000187165 [0,1,0,0,0,0|2,0,1]=4 1237 B12R1.371 CCC(=O)Cc1ccccc1F 1458a_100000212012_100000210202 [0,1,0,0,0,0|2,0,1]=4 1238 B12R1.371 CCC(=O)Cc1ccccc1I 1458a_100000036491_100000210202 [0,1,0,0,0,0|2,0,1]=4 1239 B12R1.371 CCC(=O)Cc1ccccc1I 1458a_100000210414_100011216222 [0,1,0,0,0,0|2,0,1]=4 1240 B12R1.371 CCC(=O)Cc1ccccc1O 1458a_100000743006_100000210202 [0,1,0,0,0,0|2,0,1]=4 1241 B12R1.371 CCC(C)Nc1ccccc1Br 34a_100000210017_100011215416 [0,1,0,0,0,0|3,0,0]=4 1242 B12R1.371 CCC(C)Nc1ccccc1C 34a_100015192222_100011215416 [0,1,0,0,0,0|3,0,0]=4 1243 B12R1.371 CCC(C)Nc1ccccc1Cl 34a_100000185783_100011215416 [0,1,0,0,0,0|3,0,0]=4 1244 B12R1.371 CCC(C)Nc1ccccc1F 34a_100000210422_100011215416 [0,1,0,0,0,0|3,0,0]=4 1245 B12R1.371 CCC(C)Nc1ccccc1I 34a_100000210053_100011215416 [0,1,0,0,0,0|3,0,0]=4 1246 B12R1.371 CCC(C)Nc1ccccc1O 34a_100000185747_100011215416 [0,1,0,0,0,0|3,0,0]=4 1247 B12R1.371 CCC(C)Oc1ccccc1Br 34a_100000181306_100011215416 [0,1,0,0,0,0|3,0,0]=4 1248 B12R1.371 CCC(C)Oc1ccccc1Br 7a_100000181306_100000758301 [0,1,0,0,0,0|3,0,0]=4 1249 B12R1.371 CCC(C)Oc1ccccc1C 34a_100000210338_100011215416 [0,1,0,0,0,0|3,0,0]=4 1250 B12R1.371 CCC(C)Oc1ccccc1C 7a_100000210338_100000758301 [0,1,0,0,0,0|3,0,0]=4 1251 B12R1.371 CCC(C)Oc1ccccc1Cl 34a_100000210172_100011215416 [0,1,0,0,0,0|3,0,0]=4 1252 B12R1.371 CCC(C)Oc1ccccc1Cl 7a_100000210172_100000758301 [0,1,0,0,0,0|3,0,0]=4 1253 B12R1.371 CCC(C)Oc1ccccc1F 34a_100000210171_100011215416 [0,1,0,0,0,0|3,0,0]=4 1254 B12R1.371 CCC(C)Oc1ccccc1F 7a_100000210171_100000758301 [0,1,0,0,0,0|3,0,0]=4 1255 B12R1.371 CCC(C)Oc1ccccc1I 34a_100000739446_100011215416 [0,1,0,0,0,0|3,0,0]=4 1256 B12R1.371 CCC(C)Oc1ccccc1I 7a_100000739446_100000758301 [0,1,0,0,0,0|3,0,0]=4 1257 B12R1.371 CCC(C)Oc1ccccc1N 34a_100000185747_100011215416 [0,1,0,0,0,0|3,0,0]=4 1258 B12R1.371 CCC(C)Oc1ccccc1N 7a_100000185747_100000758301 [0,1,0,0,0,0|3,0,0]=4 1259 B12R1.371 CCC(C)Sc1ccccc1Br 62a_100000695589_100000758301 [0,1,0,0,0,0|3,0,0]=4 1260 B12R1.371 CCC(C)Sc1ccccc1Br 62a_100000758301_100000695589 [0,1,0,0,0,0|3,0,0]=4 1261 B12R1.371 CCC(C)Sc1ccccc1C 62a_100000210755_100000758301 [0,1,0,0,0,0|3,0,0]=4 1262 B12R1.371 CCC(C)Sc1ccccc1C 62a_100000758301_100000210755 [0,1,0,0,0,0|3,0,0]=4 1263 B12R1.371 CCC(C)Sc1ccccc1Cl 62a_100000758301_100000764095 [0,1,0,0,0,0|3,0,0]=4 1264 B12R1.371 CCC(C)Sc1ccccc1Cl 62a_100000764095_100000758301 [0,1,0,0,0,0|3,0,0]=4 1265 B12R1.371 CCC(C)Sc1ccccc1F 62a_100000758301_100011215700 [0,1,0,0,0,0|3,0,0]=4 1266 B12R1.371 CCC(C)Sc1ccccc1F 62a_100011215700_100000758301 [0,1,0,0,0,0|3,0,0]=4 1267 B12R1.371 CCC(C)Sc1ccccc1N 62a_100000210017_100000758301 [0,1,0,0,0,0|3,0,0]=4 1268 B12R1.371 CCC(C)Sc1ccccc1N 62a_100000758301_100000210017 [0,1,0,0,0,0|3,0,0]=4 1269 B12R1.371 CCC(C)Sc1ccccc1O 62a_100000739446_100000758301 [0,1,0,0,0,0|3,0,0]=4 1270 B12R1.371 CCC(C)Sc1ccccc1O 62a_100000758301_100000739446 [0,1,0,0,0,0|3,0,0]=4 1271 B12R1.371 CCN(C)Cc1ccccc1Br 2230a_100000184654_100000210202 [0,1,0,0,0,0|3,0,0]=4 1272 B12R1.371 CCN(C)Cc1ccccc1Br 2230a_100000225621_100000184730 [0,1,0,0,0,0|3,0,0]=4 1273 B12R1.371 CCN(C)Cc1ccccc1Br 269982a_100000184654_100000204670 [0,1,0,0,0,0|3,0,0]=4 1274 B12R1.371 CCN(C)Cc1ccccc1Br 269982a_100000225621_100000184730 [0,1,0,0,0,0|3,0,0]=4 1275 B12R1.371 CCN(C)Cc1ccccc1Br 26a_100000225621_100000181306 [0,1,0,0,0,0|3,0,0]=4 1276 B12R1.371 CCN(C)Cc1ccccc1C 2230a_100000184421_100000210202 [0,1,0,0,0,0|3,0,0]=4 1277 B12R1.371 CCN(C)Cc1ccccc1C 2230a_100000201206_200000210301 [0,1,0,0,0,0|3,0,0]=4 1278 B12R1.371 CCN(C)Cc1ccccc1C 2230a_100000225621_100000211839 [0,1,0,0,0,0|3,0,0]=4 1279 B12R1.371 CCN(C)Cc1ccccc1C 269982a_100000184421_100000204670 [0,1,0,0,0,0|3,0,0]=4 1280 B12R1.371 CCN(C)Cc1ccccc1C 269982a_100000201206_200000210301 [0,1,0,0,0,0|3,0,0]=4 1281 B12R1.371 CCN(C)Cc1ccccc1C 269982a_100000225621_100000211839 [0,1,0,0,0,0|3,0,0]=4 1282 B12R1.371 CCN(C)Cc1ccccc1Cl 2230a_100000184507_100000210202 [0,1,0,0,0,0|3,0,0]=4 1283 B12R1.371 CCN(C)Cc1ccccc1Cl 2230a_100000201176_200000210301 [0,1,0,0,0,0|3,0,0]=4 1284 B12R1.371 CCN(C)Cc1ccccc1Cl 2230a_100000225621_100000187162 [0,1,0,0,0,0|3,0,0]=4 1285 B12R1.371 CCN(C)Cc1ccccc1Cl 269982a_100000184507_100000204670 [0,1,0,0,0,0|3,0,0]=4 1286 B12R1.371 CCN(C)Cc1ccccc1Cl 269982a_100000201176_200000210301 [0,1,0,0,0,0|3,0,0]=4 1287 B12R1.371 CCN(C)Cc1ccccc1Cl 269982a_100000225621_100000187162 [0,1,0,0,0,0|3,0,0]=4 1288 B12R1.371 CCN(C)Cc1ccccc1Cl 26a_100000225621_100000210172 [0,1,0,0,0,0|3,0,0]=4 1289 B12R1.371 CCN(C)Cc1ccccc1F 2230a_100000225621_100000211605 [0,1,0,0,0,0|3,0,0]=4 1290 B12R1.371 CCN(C)Cc1ccccc1F 2230a_100000742528_100000210202 [0,1,0,0,0,0|3,0,0]=4 1291 B12R1.371 CCN(C)Cc1ccccc1F 2230a_100015186831_200000210301 [0,1,0,0,0,0|3,0,0]=4 1292 B12R1.371 CCN(C)Cc1ccccc1F 269982a_100000225621_100000211605 [0,1,0,0,0,0|3,0,0]=4 1293 B12R1.371 CCN(C)Cc1ccccc1F 269982a_100000742528_100000204670 [0,1,0,0,0,0|3,0,0]=4 1294 B12R1.371 CCN(C)Cc1ccccc1F 269982a_100015186831_200000210301 [0,1,0,0,0,0|3,0,0]=4 1295 B12R1.371 CCN(C)Cc1ccccc1F 34a_100000742528_100000210202 [0,1,0,0,0,0|3,0,0]=4 1296 B12R1.371 CCN(C)Cc1ccccc1F 34a_100015186831_200000210301 [0,1,0,0,0,0|3,0,0]=4 1297 B12R1.371 CCN(C)Cc1ccccc1I 2230a_100000225621_100011215278 [0,1,0,0,0,0|3,0,0]=4 1298 B12R1.371 CCN(C)Cc1ccccc1I 269982a_100000225621_100011215278 [0,1,0,0,0,0|3,0,0]=4 1299 B12R1.371 CCN(C)Cc1ccccc1O 2230a_100011223546_200000210301 [0,1,0,0,0,0|3,0,0]=4 1300 B12R1.371 CCN(C)Cc1ccccc1O 2230a_100015189988_100000210202 [0,1,0,0,0,0|3,0,0]=4 1301 B12R1.371 CCN(C)Cc1ccccc1O 269982a_100011223546_200000210301 [0,1,0,0,0,0|3,0,0]=4 1302 B12R1.371 CCN(C)Cc1ccccc1O 269982a_100015189988_100000204670 [0,1,0,0,0,0|3,0,0]=4 1303 B12R1.371 CCN([13CH3])Cc1ccccc1C 2230a_100000201206_200025704644 [0,1,0,0,0,0|3,0,0]=4 1304 B12R1.371 CCN([13CH3])Cc1ccccc1C 269982a_100000201206_200025704644 [0,1,0,0,0,0|3,0,0]=4 1305 B12R1.371 CCN([13CH3])Cc1ccccc1Cl 2230a_100000201176_200025704644 [0,1,0,0,0,0|3,0,0]=4 1306 B12R1.371 CCN([13CH3])Cc1ccccc1Cl 269982a_100000201176_200025704644 [0,1,0,0,0,0|3,0,0]=4 1307 B12R1.371 CCN([13CH3])Cc1ccccc1F 2230a_100015186831_200025704644 [0,1,0,0,0,0|3,0,0]=4 1308 B12R1.371 CCN([13CH3])Cc1ccccc1F 269982a_100015186831_200025704644 [0,1,0,0,0,0|3,0,0]=4 1309 B12R1.371 CCN([13CH3])Cc1ccccc1F 34a_100015186831_200025704644 [0,1,0,0,0,0|3,0,0]=4 1310 B12R1.371 CCN([13CH3])Cc1ccccc1O 2230a_100011223546_200025704644 [0,1,0,0,0,0|3,0,0]=4 1311 B12R1.371 CCN([13CH3])Cc1ccccc1O 269982a_100011223546_200025704644 [0,1,0,0,0,0|3,0,0]=4 1312 B12R1.371 CN(CF)Cc1ccccc1Br 269982a_100000184654_100015361967 [0,1,0,0,0,0|3,0,0]=4 1313 B12R1.371 CN(CF)Cc1ccccc1Cl 269982a_100000184507_100015361967 [0,1,0,0,0,0|3,0,0]=4 1314 B12R1.371 CN(CF)Cc1ccccc1F 269982a_100000742528_100015361967 [0,1,0,0,0,0|3,0,0]=4 1315 B12R1.371 CN(CF)Cc1ccccc1F 34a_100000742528_100015361967 [0,1,0,0,0,0|3,0,0]=4 1316 B12R1.371 CN(CF)Cc1ccccc1O 269982a_100015189988_100015361967 [0,1,0,0,0,0|3,0,0]=4 1317 B12R1.371 CNC(C)Cc1ccccc1Br 270004a_106832991635_100011350739 [0,1,0,0,0,0|3,0,0]=4 1318 B12R1.371 CNC(C)Cc1ccccc1C 270004a_106832991635_200000764500 [0,1,0,0,0,0|3,0,0]=4 1319 B12R1.371 CNC(C)Cc1ccccc1Cl 270004a_106832991635_100000758791 [0,1,0,0,0,0|3,0,0]=4 1320 B12R1.371 CNC(C)Cc1ccccc1F 270004a_106832991635_100000709178 [0,1,0,0,0,0|3,0,0]=4 1321 B12R1.371 C[C@H](CO)Nc1ccncc1Br 27a_100000737577_100000726257 [0,1,0,0,0,0|3,0,0]=4 1322 B12R1.371 C[C@H](CO)Nc1ccncc1F 27a_100000737577_100000035921 [0,1,0,0,0,0|3,0,0]=4 1323 B12R1.371 C[C@H](CO)Nc1ncccc1Br 27a_100000737577_100000696092 [0,1,0,0,0,0|3,0,0]=4 1324 B12R1.371 C[C@H](CO)Sc1c[nH]ccc1=O 62a_100009998708_100016084084 [0,1,0,0,0,0|3,0,0]=4 1325 B12R1.371 C[C@H](CO)Sc1c[nH]ccc1=O 62a_100016084084_100009998708 [0,1,0,0,0,0|3,0,0]=4 1326 B12R1.371 C[C@H](CO)Sc1c[nH]ccc1=S 62a_100016084084_200012280681 [0,1,0,0,0,0|3,0,0]=4 1327 B12R1.371 C[C@H](CO)Sc1c[nH]ccc1=S 62a_200012280681_100016084084 [0,1,0,0,0,0|3,0,0]=4 1328 B12R1.371 C[C@H](CO)Sc1cccc[n+]1C 62a_100016084084_100000212160 [0,1,0,0,0,0|3,0,0]=4 1329 B12R1.371 C[C@H](CO)Sc1cccc[n+]1[O-] 62a_100016084084_200000042595 [0,1,0,0,0,0|3,0,0]=4 1330 B12R1.371 C[C@H](CO)Sc1ccccc1Br 62a_100000695589_100016084084 [0,1,0,0,0,0|2,0,0]=3 1331 B12R1.371 C[C@H](CO)Sc1ccccc1Br 62a_100016084084_100000695589 [0,1,0,0,0,0|2,0,0]=3 1332 B12R1.371 C[C@H](CO)Sc1ccccc1Cl 62a_100000764095_100016084084 [0,1,0,0,0,0|2,0,0]=3 1333 B12R1.371 C[C@H](CO)Sc1ccccc1Cl 62a_100016084084_100000764095 [0,1,0,0,0,0|2,0,0]=3 1334 B12R1.371 C[C@H](CO)Sc1ccccc1F 62a_100011215700_100016084084 [0,1,0,0,0,0|2,0,0]=3 1335 B12R1.371 C[C@H](CO)Sc1ccccc1F 62a_100016084084_100011215700 [0,1,0,0,0,0|2,0,0]=3 1336 B12R1.371 C[C@H](CO)Sc1ccccc1N 62a_100000210017_100016084084 [0,1,0,0,0,0|2,0,0]=3 1337 B12R1.371 C[C@H](CO)Sc1ccccc1N 62a_100016084084_100000210017 [0,1,0,0,0,0|2,0,0]=3 1338 B12R1.371 C[C@H](CO)Sc1ccccc1O 62a_100000739446_100016084084 [0,1,0,0,0,0|2,0,0]=3 1339 B12R1.371 C[C@H](CO)Sc1ccccc1O 62a_100016084084_100000739446 [0,1,0,0,0,0|2,0,0]=3 1340 B12R1.371 C[C@H](CO)Sc1cccnc1Br 62a_100010202626_100016084084 [0,1,0,0,0,0|3,0,0]=4 1341 B12R1.371 C[C@H](CO)Sc1cccnc1Br 62a_100016084084_100010202626 [0,1,0,0,0,0|3,0,0]=4 1342 B12R1.371 C[C@H](CO)Sc1cccnc1Cl 62a_100000036424_100016084084 [0,1,0,0,0,0|3,0,0]=4 1343 B12R1.371 C[C@H](CO)Sc1cccnc1Cl 62a_100016084084_100000036424 [0,1,0,0,0,0|3,0,0]=4 1344 B12R1.371 C[C@H](CO)Sc1cccnc1F 62a_100009816115_100016084084 [0,1,0,0,0,0|3,0,0]=4 1345 B12R1.371 C[C@H](CO)Sc1cccnc1F 62a_100016084084_100009816115 [0,1,0,0,0,0|3,0,0]=4 1346 B12R1.371 C[C@H](CO)Sc1cccnc1N 62a_100000045569_100016084084 [0,1,0,0,0,0|3,0,0]=4 1347 B12R1.371 C[C@H](CO)Sc1cccnc1N 62a_100016084084_100000045569 [0,1,0,0,0,0|3,0,0]=4 1348 B12R1.371 C[C@H](CO)Sc1cccnc1O 62a_100000760158_100016084084 [0,1,0,0,0,0|3,0,0]=4 1349 B12R1.371 C[C@H](CO)Sc1cccnc1O 62a_100016084084_100000760158 [0,1,0,0,0,0|3,0,0]=4 1350 B12R1.371 C[C@H](CO)Sc1ccncc1Br 62a_100000726257_100016084084 [0,1,0,0,0,0|3,0,0]=4 1351 B12R1.371 C[C@H](CO)Sc1ccncc1Br 62a_100016084084_100000726257 [0,1,0,0,0,0|3,0,0]=4 1352 B12R1.371 C[C@H](CO)Sc1ccncc1Cl 62a_100000708259_100016084084 [0,1,0,0,0,0|3,0,0]=4 1353 B12R1.371 C[C@H](CO)Sc1ccncc1Cl 62a_100016084084_100000708259 [0,1,0,0,0,0|3,0,0]=4 1354 B12R1.371 C[C@H](CO)Sc1ccncc1F 62a_100000047030_100016084084 [0,1,0,0,0,0|3,0,0]=4 1355 B12R1.371 C[C@H](CO)Sc1ccncc1F 62a_100016084084_100000047030 [0,1,0,0,0,0|3,0,0]=4 1356 B12R1.371 C[C@H](CO)Sc1ccncc1N 62a_100000756074_100016084084 [0,1,0,0,0,0|3,0,0]=4 1357 B12R1.371 C[C@H](CO)Sc1ccncc1N 62a_100016084084_100000756074 [0,1,0,0,0,0|3,0,0]=4 1358 B12R1.371 C[C@H](CO)Sc1ccncc1O 62a_100009817591_100016084084 [0,1,0,0,0,0|3,0,0]=4 1359 B12R1.371 C[C@H](CO)Sc1ccncc1O 62a_100016084084_100009817591 [0,1,0,0,0,0|3,0,0]=4 1360 B12R1.371 C[C@H](CO)Sc1cnccc1Br 62a_100010138639_100016084084 [0,1,0,0,0,0|3,0,0]=4 1361 B12R1.371 C[C@H](CO)Sc1cnccc1Br 62a_100016084084_100010138639 [0,1,0,0,0,0|3,0,0]=4 1362 B12R1.371 C[C@H](CO)Sc1cnccc1Cl 62a_100009995489_100016084084 [0,1,0,0,0,0|3,0,0]=4 1363 B12R1.371 C[C@H](CO)Sc1cnccc1Cl 62a_100016084084_100009995489 [0,1,0,0,0,0|3,0,0]=4 1364 B12R1.371 C[C@H](CO)Sc1cnccc1F 62a_100009820683_100016084084 [0,1,0,0,0,0|3,0,0]=4 1365 B12R1.371 C[C@H](CO)Sc1cnccc1F 62a_100016084084_100009820683 [0,1,0,0,0,0|3,0,0]=4 1366 B12R1.371 C[C@H](CO)Sc1cnccc1N 62a_100000047001_100016084084 [0,1,0,0,0,0|3,0,0]=4 1367 B12R1.371 C[C@H](CO)Sc1cnccc1N 62a_100016084084_100000047001 [0,1,0,0,0,0|3,0,0]=4 1368 B12R1.371 C[C@H](CO)Sc1ncccc1Br 62a_100000696092_100016084084 [0,1,0,0,0,0|3,0,0]=4 1369 B12R1.371 C[C@H](CO)Sc1ncccc1Br 62a_100016084084_100000696092 [0,1,0,0,0,0|3,0,0]=4 1370 B12R1.371 C[C@H](CO)Sc1ncccc1Cl 62a_100011356963_100016084084 [0,1,0,0,0,0|3,0,0]=4 1371 B12R1.371 C[C@H](CO)Sc1ncccc1Cl 62a_100016084084_100011356963 [0,1,0,0,0,0|3,0,0]=4 1372 B12R1.371 C[C@H](CO)Sc1ncccc1F 62a_100000685392_100016084084 [0,1,0,0,0,0|3,0,0]=4 1373 B12R1.371 C[C@H](CO)Sc1ncccc1F 62a_100016084084_100000685392 [0,1,0,0,0,0|3,0,0]=4 1374 B12R1.371 C[C@H](CO)Sc1ncccc1N 62a_100000688686_100016084084 [0,1,0,0,0,0|3,0,0]=4 1375 B12R1.371 C[C@H](CO)Sc1ncccc1N 62a_100016084084_100000688686 [0,1,0,0,0,0|3,0,0]=4 1376 B12R1.371 C[C@H](CO)Sc1ncccc1O 62a_100000034122_100016084084 [0,1,0,0,0,0|3,0,0]=4 1377 B12R1.371 C[C@H](CO)Sc1ncccc1O 62a_100016084084_100000034122 [0,1,0,0,0,0|3,0,0]=4 1378 B12R1.371 Cc1ccccc1CC(=O)CF 1458a_100000212180_100015361967 [0,1,0,0,0,0|2,0,1]=4 1379 B12R1.371 Cc1ccccc1CC(=O)CO 1458a_100000210174_100000211839 [0,1,0,0,0,0|1,0,1]=3 1380 B12R1.371 Cc1ccccc1CN(C)CF 269982a_100000184421_100015361967 [0,1,0,0,0,0|3,0,0]=4 1381 B12R1.371 Cc1ccccc1NC(=O)CO 22a_100015192222_100000210174 [0,1,0,0,0,0|2,0,1]=4 1382 B12R1.371 Cc1ccccc1NC(=O)CO 527a_100015192222_100000210174 [0,1,0,0,0,0|2,0,1]=4 1383 B12R1.371 Cc1ccccc1NC(C)CO 34a_100015192222_100012180447 [0,1,0,0,0,0|2,0,0]=3 1384 B12R1.371 Cc1ccccc1OC(C)CO 34a_100000210338_100012180447 [0,1,0,0,0,0|2,0,0]=3 1385 B12R1.371 Cc1ccccc1OC(C)CO 7a_100000210338_100012180447 [0,1,0,0,0,0|2,0,0]=3 1386 B12R1.371 Cc1ccccc1SC(C)CO 62a_100012180447_100000210755 [0,1,0,0,0,0|2,0,0]=3 1387 B12R1.371 Cc1ccccc1S[C@H](C)CO 62a_100000210755_100016084084 [0,1,0,0,0,0|2,0,0]=3 1388 B12R1.371 Cc1ccccc1S[C@H](C)CO 62a_100016084084_100000210755 [0,1,0,0,0,0|2,0,0]=3 1389 B12R1.371 Cc1cccnc1CC(=O)CO 1458a_100000210174_100000696600 [0,1,0,0,0,0|2,0,1]=4 1390 B12R1.371 Cc1cccnc1SC(C)CO 62a_100012180447_100000751373 [0,1,0,0,0,0|3,0,0]=4 1391 B12R1.371 Cc1cccnc1S[C@H](C)CO 62a_100000751373_100016084084 [0,1,0,0,0,0|3,0,0]=4 1392 B12R1.371 Cc1cccnc1S[C@H](C)CO 62a_100016084084_100000751373 [0,1,0,0,0,0|3,0,0]=4 1393 B12R1.371 Cc1ccncc1CC(=O)CO 1458a_100000210174_100000690890 [0,1,0,0,0,0|2,0,1]=4 1394 B12R1.371 Cc1ccncc1OC(C)CO 34a_100011997053_100012180447 [0,1,0,0,0,0|3,0,0]=4 1395 B12R1.371 Cc1ccncc1OC(C)CO 7a_100011997053_100012180447 [0,1,0,0,0,0|3,0,0]=4 1396 B12R1.371 Cc1ccncc1SC(C)CO 62a_100012180447_100000761580 [0,1,0,0,0,0|3,0,0]=4 1397 B12R1.371 Cc1ccncc1S[C@H](C)CO 62a_100000761580_100016084084 [0,1,0,0,0,0|3,0,0]=4 1398 B12R1.371 Cc1ccncc1S[C@H](C)CO 62a_100016084084_100000761580 [0,1,0,0,0,0|3,0,0]=4 1399 B12R1.371 Cc1cnccc1CC(=O)CO 1458a_100000210174_100020672808 [0,1,0,0,0,0|2,0,1]=4 1400 B12R1.371 Cc1cnccc1N[C@H](C)CO 27a_100000737577_100000765111 [0,1,0,0,0,0|3,0,0]=4 1401 B12R1.371 Cc1cnccc1OC(C)CO 34a_100000694293_100012180447 [0,1,0,0,0,0|3,0,0]=4 1402 B12R1.371 Cc1cnccc1SC(C)CO 62a_100012180447_100000765111 [0,1,0,0,0,0|3,0,0]=4 1403 B12R1.371 Cc1cnccc1S[C@H](C)CO 62a_100000765111_100016084084 [0,1,0,0,0,0|3,0,0]=4 1404 B12R1.371 Cc1cnccc1S[C@H](C)CO 62a_100016084084_100000765111 [0,1,0,0,0,0|3,0,0]=4 1405 B12R1.371 Cc1ncccc1CC(=O)CO 1458a_100000210174_100000732876 [0,1,0,0,0,0|2,0,1]=4 1406 B12R1.371 Cc1ncccc1OC(C)CO 34a_100000745507_100012180447 [0,1,0,0,0,0|3,0,0]=4 1407 B12R1.371 Cc1ncccc1OC(C)CO 7a_100000745507_100012180447 [0,1,0,0,0,0|3,0,0]=4 1408 B12R1.371 Cc1ncccc1SC(C)CO 62a_100012180447_100000751574 [0,1,0,0,0,0|3,0,0]=4 1409 B12R1.371 Cc1ncccc1S[C@H](C)CO 62a_100000751574_100016084084 [0,1,0,0,0,0|3,0,0]=4 1410 B12R1.371 Cc1ncccc1S[C@H](C)CO 62a_100016084084_100000751574 [0,1,0,0,0,0|3,0,0]=4 1411 B12R1.371 O=C(CF)Cc1ccccc1Br 1458a_100000751119_100015361967 [0,1,0,0,0,0|2,0,1]=4 1412 B12R1.371 O=C(CF)Cc1ccccc1Cl 1458a_100000183793_100015361967 [0,1,0,0,0,0|2,0,1]=4 1413 B12R1.371 O=C(CF)Cc1ccccc1F 1458a_100000212012_100015361967 [0,1,0,0,0,0|2,0,1]=4 1414 B12R1.371 O=C(CF)Cc1ccccc1I 1458a_100000036491_100015361967 [0,1,0,0,0,0|2,0,1]=4 1415 B12R1.371 O=C(CF)Cc1ccccc1O 1458a_100000743006_100015361967 [0,1,0,0,0,0|2,0,1]=4 1416 B12R1.371 O=C(CO)Cc1ccccc1Br 1458a_100000210174_100000184730 [0,1,0,0,0,0|1,0,1]=3 1417 B12R1.371 O=C(CO)Cc1ccccc1Cl 1458a_100000210174_100000187162 [0,1,0,0,0,0|1,0,1]=3 1418 B12R1.371 O=C(CO)Cc1ccccc1F 1458a_100000210174_100000187165 [0,1,0,0,0,0|1,0,1]=3 1419 B12R1.371 O=C(CO)Cc1ccccc1I 1458a_100000210174_100011216222 [0,1,0,0,0,0|1,0,1]=3 1420 B12R1.371 O=C(CO)Cc1cccnc1Br 1458a_100000210174_100010140945 [0,1,0,0,0,0|2,0,1]=4 1421 B12R1.371 O=C(CO)Cc1cccnc1Cl 1458a_100000210174_100000045678 [0,1,0,0,0,0|2,0,1]=4 1422 B12R1.371 O=C(CO)Cc1cccnc1F 1458a_100000210174_100000099810 [0,1,0,0,0,0|2,0,1]=4 1423 B12R1.371 O=C(CO)Cc1ccncc1Cl 1458a_100000210174_100000763264 [0,1,0,0,0,0|2,0,1]=4 1424 B12R1.371 O=C(CO)Cc1ncccc1Br 1458a_100000210174_100025702911 [0,1,0,0,0,0|2,0,1]=4 1425 B12R1.371 O=C(CO)Cc1ncccc1Cl 1458a_100000210174_100000099807 [0,1,0,0,0,0|2,0,1]=4 1426 B12R1.371 O=C(CO)Cc1ncccc1F 1458a_100000210174_100000104219 [0,1,0,0,0,0|2,0,1]=4 1427 B12R1.371 O=C(CO)Cc1ncccc1O 1458a_100000210174_200020655725 [0,1,0,0,0,0|2,0,1]=4 1428 B12R1.371 O=C(CO)Nc1ccccc1Cl 22a_100000185783_100000210174 [0,1,0,0,0,0|2,0,1]=4 1429 B12R1.371 O=C(CO)Nc1ccccc1Cl 527a_100000185783_100000210174 [0,1,0,0,0,0|2,0,1]=4 1430 B12R1.371 O=C(CO)Nc1ccccc1F 22a_100000210422_100000210174 [0,1,0,0,0,0|2,0,1]=4 1431 B12R1.371 O=C(CO)Nc1ccccc1F 527a_100000210422_100000210174 [0,1,0,0,0,0|2,0,1]=4 1432 B12R1.371 O=C(CO)Nc1ccccc1O 22a_100000185747_100000210174 [0,1,0,0,0,0|2,0,1]=4 1433 B12R1.371 O=C(CO)Nc1ccccc1O 527a_100000185747_100000210174 [0,1,0,0,0,0|2,0,1]=4 1434 B10R0.18 C=CC=CC(=O)CC(C)CC 1458a_100016291481_100000748023 [0,0,1,0,0,0|3,0,0]=4 1435 B10R0.18 C=CC=CC(=O)CC(O)CC 1458a_100016291481_100011218378 [0,0,1,0,0,0|3,0,0]=4 1436 B10R0.18 C=CC=CC(=O)C[C@@H](C)CC 1458a_100016291481_100009816398 [0,0,1,0,0,0|3,0,0]=4 1437 B10R0.18 C=CC=CC(=O)C[C@@H](C)CO 1458a_100016291481_100000059175 [0,0,1,0,0,0|2,0,0]=3 1438 B12R2.11 CN1C[C@@H]1Cc2ccccc2 2230a_100016998360_200000210301 [0,0,0,1,0,0|3,0,0]=4 1439 B12R2.11 CN1C[C@@H]1Cc2ccccc2 269982a_100016998360_200000210301 [0,0,0,1,0,0|3,0,0]=4 1440 B12R2.11 CN1C[C@@H]1Cc2ccccc2 34a_100016998360_200000210301 [0,0,0,1,0,0|3,0,0]=4 1441 B12R2.11 [13CH3]N1C[C@@H]1Cc2ccccc2 2230a_100016998360_200025704644 [0,0,0,1,0,0|3,0,0]=4 1442 B12R2.11 [13CH3]N1C[C@@H]1Cc2ccccc2 269982a_100016998360_200025704644 [0,0,0,1,0,0|3,0,0]=4 1443 B12R2.11 [13CH3]N1C[C@@H]1Cc2ccccc2 34a_100016998360_200025704644 [0,0,0,1,0,0|3,0,0]=4 1444 B12R2.23 CN1CCC1c2ccccc2 2230a_100000739605_200000210301 [0,0,0,1,0,0|3,0,0]=4 1445 B12R2.23 CN1CCC1c2ccccc2 269982a_100000739605_200000210301 [0,0,0,1,0,0|3,0,0]=4 1446 B12R2.23 [13CH3]N1CCC1c2ccccc2 2230a_100000739605_200025704644 [0,0,0,1,0,0|3,0,0]=4 1447 B12R2.23 [13CH3]N1CCC1c2ccccc2 269982a_100000739605_200025704644 [0,0,0,1,0,0|3,0,0]=4 1448 B12R2.24 CN1CCc2ccccc2C1 2230a_100000188457_200000210301 [0,0,0,1,0,0|3,0,0]=4 1449 B12R2.24 CN1CCc2ccccc2C1 269982a_100000188457_200000210301 [0,0,0,1,0,0|3,0,0]=4 1450 B12R2.24 CN1CCc2ccccc2C1 34a_100000188457_200000210301 [0,0,0,1,0,0|3,0,0]=4 1451 B12R2.24 [13CH3]N1CCc2ccccc2C1 2230a_100000188457_200025704644 [0,0,0,1,0,0|3,0,0]=4 1452 B12R2.24 [13CH3]N1CCc2ccccc2C1 269982a_100000188457_200025704644 [0,0,0,1,0,0|3,0,0]=4 1453 B12R2.24 [13CH3]N1CCc2ccccc2C1 34a_100000188457_200025704644 [0,0,0,1,0,0|3,0,0]=4 1454 B12R2.27 CN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_200000210301 [0,0,0,1,0,0|3,0,0]=4 1455 B12R2.27 CN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_200000210301 [0,0,0,1,0,0|3,0,0]=4 1456 B12R2.27 [13CH3]N[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_200025704644 [0,0,0,1,0,0|3,0,0]=4 1457 B12R2.27 [13CH3]N[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_200025704644 [0,0,0,1,0,0|3,0,0]=4 1458 B12R2.32 CCN1Cc2ccccc2C1 2230a_100000752595_100000210202 [0,0,0,1,0,0|3,0,0]=4 1459 B12R2.32 CCN1Cc2ccccc2C1 269982a_100000752595_100000204670 [0,0,0,1,0,0|3,0,0]=4 1460 B12R2.32 CCN1Cc2ccccc2C1 34a_100000752595_100000210202 [0,0,0,1,0,0|3,0,0]=4 1461 B12R2.32 CNC1Cc2ccccc2C1 2230a_100000753258_200000210301 [0,0,0,1,0,0|3,0,0]=4 1462 B12R2.32 CNC1Cc2ccccc2C1 34a_100000753258_200000210301 [0,0,0,1,0,0|3,0,0]=4 1463 B12R2.32 CNC1Cc2ccccc2C1 34a_100102657272_100000753484 [0,0,0,1,0,0|3,0,0]=4 1464 B12R2.32 CNC1Cc2ccccc2C1 7a_106832991635_100000753484 [0,0,0,1,0,0|3,0,0]=4 1465 B12R2.32 COC1Cc2ccccc2C1 34a_100011215286_200000210301 [0,0,0,1,0,0|3,0,0]=4 1466 B12R2.32 COC1Cc2ccccc2C1 34a_100138415774_100000753484 [0,0,0,1,0,0|3,0,0]=4 1467 B12R2.32 CSC1Cc2ccccc2C1 62a_200000210301_100000753484 [0,0,0,1,0,0|3,0,0]=4 1468 B12R2.32 FCN1Cc2ccccc2C1 269982a_100000752595_100015361967 [0,0,0,1,0,0|3,0,0]=4 1469 B12R2.32 FCN1Cc2ccccc2C1 34a_100000752595_100015361967 [0,0,0,1,0,0|3,0,0]=4 1470 B12R2.32 [13CH3]NC1Cc2ccccc2C1 2230a_100000753258_200025704644 [0,0,0,1,0,0|3,0,0]=4 1471 B12R2.32 [13CH3]NC1Cc2ccccc2C1 34a_100000753258_200025704644 [0,0,0,1,0,0|3,0,0]=4 1472 B12R2.32 [13CH3]OC1Cc2ccccc2C1 34a_100011215286_200025704644 [0,0,0,1,0,0|3,0,0]=4 1473 B12R2.32 [13CH3]SC1Cc2ccccc2C1 62a_200025704644_100000753484 [0,0,0,1,0,0|3,0,0]=4 1474 B12R2.2058 c1cc(ccn1)OC2COC2 34a_100000212176_100009818527 [0,0,0,1,0,0|3,0,0]=4 1475 B12R2.2058 c1cc(ccn1)SC2COC2 62a_100000728582_100009818527 [0,0,0,1,0,0|3,0,0]=4 1476 B12R2.2058 c1ccc(cc1)CN2CCC2 269982a_100000754969_100000211182 [0,0,0,1,0,0|3,0,0]=4 1477 B12R2.2058 c1ccc(cc1)NC2CCC2 34a_100000106764_100000749161 [0,0,0,1,0,0|3,0,0]=4 1478 B12R2.2058 c1ccc(cc1)NC2COC2 34a_100000106764_100009818527 [0,0,0,1,0,0|2,0,0]=3 1479 B12R2.2058 c1ccc(cc1)OC2CCC2 34a_100000210340_100000749161 [0,0,0,1,0,0|3,0,0]=4 1480 B12R2.2058 c1ccc(cc1)OC2COC2 34a_100000210340_100009818527 [0,0,0,1,0,0|2,0,0]=3 1481 B12R2.2058 c1ccc(cc1)OC2COC2 7a_100000210340_100009818527 [0,0,0,1,0,0|2,0,0]=3 1482 B12R2.2058 c1ccc(cc1)SC2CCC2 62a_100000719477_100000749161 [0,0,0,1,0,0|3,0,0]=4 1483 B12R2.2058 c1ccc(cc1)SC2COC2 62a_100000719477_100009818527 [0,0,0,1,0,0|2,0,0]=3 1484 B12R2.2058 c1ccc(nc1)SC2COC2 62a_100011216584_100009818527 [0,0,0,1,0,0|3,0,0]=4 1485 B12R2.2058 c1cncc(c1)OC2COC2 34a_100000210849_100009818527 [0,0,0,1,0,0|3,0,0]=4 1486 B12R2.2058 c1cncc(c1)OC2COC2 7a_100000210849_100009818527 [0,0,0,1,0,0|3,0,0]=4 1487 B12R2.2058 c1cncc(c1)SC2COC2 62a_100000210063_100009818527 [0,0,0,1,0,0|3,0,0]=4 1488 B10R1.15 CC(S[13CH3])c1ccccc1 62a_100000230085_200025704644 [0,0,0,0,1,0|3,0,0]=4 1489 B10R1.15 CC(S[13CH3])c1ccccc1 62a_200025704644_100000230085 [0,0,0,0,1,0|3,0,0]=4 1490 B10R1.15 CCC(=O)c1ccccc1 1458a_100000185807_100000210202 [0,0,0,0,1,0|2,0,1]=4 1491 B10R1.15 CCN(C)c1ccccc1 2230a_100000210012_100000210202 [0,0,0,0,1,0|3,0,0]=4 1492 B10R1.15 CCN(C)c1ccccc1 2230a_100000210013_200000210301 [0,0,0,0,1,0|3,0,0]=4 1493 B10R1.15 CCN(C)c1ccccc1 269982a_100000210012_100000204670 [0,0,0,0,1,0|3,0,0]=4 1494 B10R1.15 CCN(C)c1ccccc1 269982a_100000210013_200000210301 [0,0,0,0,1,0|3,0,0]=4 1495 B10R1.15 CCN(C)c1ccccc1 34a_100000210012_100000210202 [0,0,0,0,1,0|3,0,0]=4 1496 B10R1.15 CCN(C)c1ccccc1 34a_100000210013_200000210301 [0,0,0,0,1,0|3,0,0]=4 1497 B10R1.15 CCN([13CH3])c1ccccc1 2230a_100000210013_200025704644 [0,0,0,0,1,0|3,0,0]=4 1498 B10R1.15 CCN([13CH3])c1ccccc1 269982a_100000210013_200025704644 [0,0,0,0,1,0|3,0,0]=4 1499 B10R1.15 CCN([13CH3])c1ccccc1 34a_100000210013_200025704644 [0,0,0,0,1,0|3,0,0]=4 1500 B10R1.15 CN(CF)c1ccccc1 269982a_100000210012_100015361967 [0,0,0,0,1,0|3,0,0]=4 1501 B10R1.15 CN(CF)c1ccccc1 34a_100000210012_100015361967 [0,0,0,0,1,0|3,0,0]=4 1502 B10R1.15 CNC(C)c1ccccc1 2230a_106832991635_100000230085 [0,0,0,0,1,0|3,0,0]=4 1503 B10R1.15 CNC(C)c1ccccc1 269862a_106832991636_100000185851 [0,0,0,0,1,0|3,0,0]=4 1504 B10R1.15 CNC(C)c1ccccc1 34a_100102657272_100000211855 [0,0,0,0,1,0|3,0,0]=4 1505 B10R1.15 CNC(C)c1ccccc1 7a_106832991635_100000230085 [0,0,0,0,1,0|3,0,0]=4 1506 B10R1.15 CN[C@H](C)c1ccccc1 2230a_100000751104_200000210301 [0,0,0,0,1,0|3,0,0]=4 1507 B10R1.15 COC(C)c1ccccc1 34a_100138415774_100000211855 [0,0,0,0,1,0|3,0,0]=4 1508 B10R1.15 CO[C@H](C)c1ccccc1 34a_100000761318_200000210301 [0,0,0,0,1,0|3,0,0]=4 1509 B10R1.15 CO[C@H](C)c1ccccc1 7a_100000761318_200000210301 [0,0,0,0,1,0|3,0,0]=4 1510 B10R1.15 CSC(C)c1ccccc1 62a_100000230085_200000210301 [0,0,0,0,1,0|3,0,0]=4 1511 B10R1.15 CSC(C)c1ccccc1 62a_200000210301_100000230085 [0,0,0,0,1,0|3,0,0]=4 1512 B10R1.15 C[C@@H](N[13CH3])c1ccccc1 2230a_100000751104_200025704644 [0,0,0,0,1,0|3,0,0]=4 1513 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 34a_100000761318_200025704644 [0,0,0,0,1,0|3,0,0]=4 1514 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 7a_100000761318_200025704644 [0,0,0,0,1,0|3,0,0]=4 1515 B10R1.15 O=C(CF)c1ccccc1 1458a_100000185807_100015361967 [0,0,0,0,1,0|2,0,1]=4 1516 B10R1.27 CC(CO)Oc1ccsc1 34a_100000106738_100012180447 [0,0,0,0,1,0|3,0,0]=4 1517 B10R1.27 CC(CO)Oc1ccsc1 7a_100000106738_100012180447 [0,0,0,0,1,0|3,0,0]=4 1518 B10R1.27 CC(CO)Sc1ccco1 62a_100012180447_100009814098 [0,0,0,0,1,0|3,0,0]=4 1519 B10R1.27 CC(CO)Sc1cccs1 62a_100012180447_100011215356 [0,0,0,0,1,0|3,0,0]=4 1520 B10R1.27 CC(CO)Sc1ccoc1 62a_100012180447_100011215275 [0,0,0,0,1,0|3,0,0]=4 1521 B10R1.27 CC(CO)Sc1ccsc1 62a_100012180447_100000738268 [0,0,0,0,1,0|3,0,0]=4 1522 B10R1.27 C[C@H](CO)Sc1ccco1 62a_100009814098_100016084084 [0,0,0,0,1,0|3,0,0]=4 1523 B10R1.27 C[C@H](CO)Sc1ccco1 62a_100016084084_100009814098 [0,0,0,0,1,0|3,0,0]=4 1524 B10R1.27 C[C@H](CO)Sc1cccs1 62a_100011215356_100016084084 [0,0,0,0,1,0|3,0,0]=4 1525 B10R1.27 C[C@H](CO)Sc1cccs1 62a_100016084084_100011215356 [0,0,0,0,1,0|3,0,0]=4 1526 B10R1.27 C[C@H](CO)Sc1ccoc1 62a_100011215275_100016084084 [0,0,0,0,1,0|3,0,0]=4 1527 B10R1.27 C[C@H](CO)Sc1ccoc1 62a_100016084084_100011215275 [0,0,0,0,1,0|3,0,0]=4 1528 B10R1.27 C[C@H](CO)Sc1ccsc1 62a_100000738268_100016084084 [0,0,0,0,1,0|3,0,0]=4 1529 B10R1.27 C[C@H](CO)Sc1ccsc1 62a_100016084084_100000738268 [0,0,0,0,1,0|3,0,0]=4 1530 B10R1.27 O=C(CO)Cc1ccsc1 1458a_100000210174_100011233845 [0,0,0,0,1,0|2,0,1]=4 1531 B12R1.27 C#CC(C)NCc1ccccc1 2230a_100000707721_100015291786 [0,0,0,0,0,1|2,0,1]=4 1532 B12R1.27 C#CC(C)NCc1ccccc1 270004a_100000707721_100015611070 [0,0,0,0,0,1|2,0,1]=4 1533 B12R1.27 C#CC(C)NCc1ccccc1 34a_100000707721_100015291786 [0,0,0,0,0,1|2,0,1]=4 1534 B12R1.27 C#CC(C)NCc1ccccc1 34a_100015324214_200000035995 [0,0,0,0,0,1|2,0,1]=4 1535 B12R1.27 C#CC(C)OCc1ccccc1 34a_100000210790_200000035995 [0,0,0,0,0,1|2,0,1]=4 1536 B12R1.27 C#CC(C)SCc1ccccc1 62a_200000035995_100015291786 [0,0,0,0,0,1|2,0,1]=4 1537 B12R1.27 C#C[C@@H](C)OCc1ccccc1 34a_100009815206_100015291786 [0,0,0,0,0,1|2,0,1]=4 1538 B12R1.27 C#C[C@@H](C)OCc1ccccc1 7a_100009815206_100000211182 [0,0,0,0,0,1|2,0,1]=4 1539 B12R1.27 C=CC(C)OCc1ccccc1 34a_100000695699_100015291786 [0,0,0,0,0,1|2,0,1]=4 1540 B12R1.27 C=CC(C)SCc1ccccc1 62a_100011215867_100015291786 [0,0,0,0,0,1|2,0,1]=4 1541 B12R1.27 C=CC(O)CNc1ccccc1 34a_100000106764_100000730141 [0,0,0,0,0,1|2,0,1]=4 1542 B12R1.27 C=CC(O)COc1ccccc1 34a_100000210340_100000730141 [0,0,0,0,0,1|2,0,1]=4 1543 B12R1.27 C=CC(O)COc1ccccc1 7a_100000210340_100000730141 [0,0,0,0,0,1|2,0,1]=4 1544 B12R1.27 C=CC(O)CSc1ccccc1 62a_100000719477_100000730141 [0,0,0,0,0,1|2,0,1]=4 1545 B12R1.27 C=CC(O)CSc1ccccc1 62a_100000730141_100000041952 [0,0,0,0,0,1|2,0,1]=4 1546 B12R1.27 CC(=NNc1ccccc1)CO 4a_100015195140_100000211253 [0,0,0,0,0,1|2,0,1]=4 1547 B12R1.27 CC(C#N)NCc1ccccc1 2230a_100000737613_100015291786 [0,0,0,0,0,1|2,0,1]=4 1548 B12R1.27 CC(C#N)NCc1ccccc1 2230a_100015324214_100000184139 [0,0,0,0,0,1|2,0,1]=4 1549 B12R1.27 CC(C#N)OCc1ccccc1 34a_100011218135_100015291786 [0,0,0,0,0,1|2,0,1]=4 1550 B12R1.27 CC(C#N)OCc1ccccc1 7a_100000210790_100000703298 [0,0,0,0,0,1|2,0,1]=4 1551 B12R1.27 CC(C#N)SCc1ccccc1 62a_100000211182_100000703298 [0,0,0,0,0,1|2,0,1]=4 1552 B12R1.27 CC(C#N)SCc1ccccc1 62a_100000703298_100015291786 [0,0,0,0,0,1|2,0,1]=4 1553 B12R1.27 CC(CCc1ccccc1)N[13CH3] 2230a_100000210798_200025704644 [0,0,0,0,0,1|3,0,0]=4 1554 B12R1.27 CC(CCc1ccccc1)N[13CH3] 34a_100000210798_200025704644 [0,0,0,0,0,1|3,0,0]=4 1555 B12R1.27 CC(CF)OCc1ccccc1 34a_100016041109_100015291786 [0,0,0,0,0,1|2,0,0]=3 1556 B12R1.27 CC(CF)OCc1ccccc1 7a_100016041109_100000211182 [0,0,0,0,0,1|2,0,0]=3 1557 B12R1.27 CC(CF)OCc1ccccn1 34a_100016041109_100000721315 [0,0,0,0,0,1|3,0,0]=4 1558 B12R1.27 CC(CF)OCc1ccccn1 7a_100016041109_100000721315 [0,0,0,0,0,1|3,0,0]=4 1559 B12R1.27 CC(CF)OCc1cccnc1 34a_100016041109_100000733263 [0,0,0,0,0,1|3,0,0]=4 1560 B12R1.27 CC(CF)OCc1cccnc1 7a_100016041109_100000741622 [0,0,0,0,0,1|3,0,0]=4 1561 B12R1.27 CC(CF)OCc1ccncc1 7a_100016041109_100015193705 [0,0,0,0,0,1|3,0,0]=4 1562 B12R1.27 CC(CN)OCc1ccccc1 34a_100000210904_100015291786 [0,0,0,0,0,1|2,0,0]=3 1563 B12R1.27 CC(CN)OCc1ccccn1 34a_100000210904_100000721315 [0,0,0,0,0,1|3,0,0]=4 1564 B12R1.27 CC(CN)OCc1cccnc1 34a_100000210904_100000733263 [0,0,0,0,0,1|3,0,0]=4 1565 B12R1.27 CC(CO)CNc1cccnn1 27a_100000744482_100016991348 [0,0,0,0,0,1|3,0,0]=4 1566 B12R1.27 CC(CO)CNc1ccncn1 27a_100000744482_100000703185 [0,0,0,0,0,1|3,0,0]=4 1567 B12R1.27 CC(CO)CNc1cnccn1 27a_100000744482_100000211759 [0,0,0,0,0,1|3,0,0]=4 1568 B12R1.27 CC(CO)CNc1ncccn1 27a_100000744482_100000211032 [0,0,0,0,0,1|3,0,0]=4 1569 B12R1.27 CC(CO)NCc1ccccc1 2230a_100015324214_100012180447 [0,0,0,0,0,1|1,0,0]=2 1570 B12R1.27 CC(CO)NCc1ccccc1 34a_100015324214_100012180447 [0,0,0,0,0,1|1,0,0]=2 1571 B12R1.27 CC(CO)NCc1cccnn1 2230a_100159270163_100012180447 [0,0,0,0,0,1|3,0,0]=4 1572 B12R1.27 CC(CO)NCc1cncnc1 2230a_100011243677_100012180447 [0,0,0,0,0,1|3,0,0]=4 1573 B12R1.27 CC(CO)OCc1ccccc1 34a_100000210790_100012180447 [0,0,0,0,0,1|1,0,0]=2 1574 B12R1.27 CC(CO)OCc1ccccc1 7a_100000210790_100012180447 [0,0,0,0,0,1|1,0,0]=2 1575 B12R1.27 CC(CO)SCc1ccccc1 62a_100012180447_100015291786 [0,0,0,0,0,1|1,0,0]=2 1576 B12R1.27 CC(CO)SCc1ccccn1 62a_100012180447_100000721315 [0,0,0,0,0,1|2,0,0]=3 1577 B12R1.27 CC(CO)SCc1cccnc1 62a_100012180447_100000741622 [0,0,0,0,0,1|2,0,0]=3 1578 B12R1.27 CC(CO)SCc1cccnn1 62a_100012180447_100016990269 [0,0,0,0,0,1|3,0,0]=4 1579 B12R1.27 CC(CO)SCc1ccncc1 62a_100012180447_100015193705 [0,0,0,0,0,1|2,0,0]=3 1580 B12R1.27 CC(CO)SCc1cnccn1 62a_100012180447_100016995436 [0,0,0,0,0,1|3,0,0]=4 1581 B12R1.27 CC(CO)SCc1cncnc1 62a_100012180447_100015196519 [0,0,0,0,0,1|3,0,0]=4 1582 B12R1.27 CC(CO)SCc1ncccn1 62a_100012180447_100000703007 [0,0,0,0,0,1|3,0,0]=4 1583 B12R1.27 CC(COc1ccccc1)N[13CH3] 2230a_100000746794_200025704644 [0,0,0,0,0,1|3,0,0]=4 1584 B12R1.27 CC(COc1ccccc1)N[13CH3] 34a_100000746794_200025704644 [0,0,0,0,0,1|3,0,0]=4 1585 B12R1.27 CC(COc1ccccc1)O[13CH3] 34a_100000210911_200025704644 [0,0,0,0,0,1|3,0,0]=4 1586 B12R1.27 CC(COc1ccccc1)O[13CH3] 7a_100000210911_200025704644 [0,0,0,0,0,1|3,0,0]=4 1587 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000185753_100000210202 [0,0,0,0,0,1|2,0,1]=4 1588 B12R1.27 CCC(=O)CCc1ccccc1 1458a_100000210414_100000765856 [0,0,0,0,0,1|2,0,1]=4 1589 B12R1.27 CCC(=O)COc1ccccc1 1458a_100000186222_100000210202 [0,0,0,0,0,1|2,0,1]=4 1590 B12R1.27 CCC(=O)COc1ccccc1 7a_100000210340_100000747405 [0,0,0,0,0,1|2,0,1]=4 1591 B12R1.27 CCC(=O)CSc1ccccc1 1458a_100000211596_100000210202 [0,0,0,0,0,1|2,0,1]=4 1592 B12R1.27 CCC(=O)CSc1ccccc1 62a_100000719477_100000747405 [0,0,0,0,0,1|2,0,1]=4 1593 B12R1.27 CCC(=O)CSc1ccccc1 62a_100000747405_100000041952 [0,0,0,0,0,1|2,0,1]=4 1594 B12R1.27 CCC(=O)NCc1ccccc1 11a_100015324214_100000210414 [0,0,0,0,0,1|2,0,1]=4 1595 B12R1.27 CCC(=O)NCc1ccccc1 1626a_100015324214_100000210414 [0,0,0,0,0,1|2,0,1]=4 1596 B12R1.27 CCC(=O)NCc1ccccc1 240690a_100015324214_100000210414 [0,0,0,0,0,1|2,0,1]=4 1597 B12R1.27 CCC(=O)NCc1ccccc1 527a_100015324214_100000210414 [0,0,0,0,0,1|2,0,1]=4 1598 B12R1.27 CCC(C)CNc1ccccc1 34a_100000106764_100000748023 [0,0,0,0,0,1|2,0,0]=3 1599 B12R1.27 CCC(C)COc1ccccc1 34a_100000210340_100000748023 [0,0,0,0,0,1|2,0,0]=3 1600 B12R1.27 CCC(C)COc1ccccc1 7a_100000210340_100000748023 [0,0,0,0,0,1|2,0,0]=3 1601 B12R1.27 CCC(C)COc1cccnc1 34a_100000210849_100000748023 [0,0,0,0,0,1|3,0,0]=4 1602 B12R1.27 CCC(C)COc1cccnc1 7a_100000210849_100000748023 [0,0,0,0,0,1|3,0,0]=4 1603 B12R1.27 CCC(C)COc1ccncc1 34a_100000212176_100000748023 [0,0,0,0,0,1|3,0,0]=4 1604 B12R1.27 CCC(C)CSc1ccccc1 62a_100000719477_100000748023 [0,0,0,0,0,1|2,0,0]=3 1605 B12R1.27 CCC(C)CSc1ccccc1 62a_100000748023_100000041952 [0,0,0,0,0,1|2,0,0]=3 1606 B12R1.27 CCC(C)CSc1ccccn1 62a_100000748023_100011216584 [0,0,0,0,0,1|3,0,0]=4 1607 B12R1.27 CCC(C)CSc1ccccn1 62a_100011216584_100000748023 [0,0,0,0,0,1|3,0,0]=4 1608 B12R1.27 CCC(C)CSc1cccnc1 62a_100000210063_100000748023 [0,0,0,0,0,1|3,0,0]=4 1609 B12R1.27 CCC(C)CSc1cccnc1 62a_100000748023_100000210063 [0,0,0,0,0,1|3,0,0]=4 1610 B12R1.27 CCC(C)CSc1ccncc1 62a_100000728582_100000748023 [0,0,0,0,0,1|3,0,0]=4 1611 B12R1.27 CCC(C)CSc1ccncc1 62a_100000748023_100000728582 [0,0,0,0,0,1|3,0,0]=4 1612 B12R1.27 CCC(C)NCc1ccccc1 207a_100000209981_100015611070 [0,0,0,0,0,1|2,0,0]=3 1613 B12R1.27 CCC(C)NCc1ccccc1 2230a_100000209981_100015291786 [0,0,0,0,0,1|2,0,0]=3 1614 B12R1.27 CCC(C)NCc1ccccc1 2230a_100015324214_100000758301 [0,0,0,0,0,1|2,0,0]=3 1615 B12R1.27 CCC(C)NCc1ccccc1 270004a_100000209981_100015611070 [0,0,0,0,0,1|2,0,0]=3 1616 B12R1.27 CCC(C)NCc1ccccc1 34a_100015324214_100011215416 [0,0,0,0,0,1|2,0,0]=3 1617 B12R1.27 CCC(C)NCc1ccccn1 207a_100000209981_100000209966 [0,0,0,0,0,1|3,0,0]=4 1618 B12R1.27 CCC(C)NCc1ccccn1 2230a_100000209981_100000721315 [0,0,0,0,0,1|3,0,0]=4 1619 B12R1.27 CCC(C)NCc1ccccn1 270004a_100000209981_100000209966 [0,0,0,0,0,1|3,0,0]=4 1620 B12R1.27 CCC(C)NCc1cccnc1 207a_100000209981_100000209961 [0,0,0,0,0,1|3,0,0]=4 1621 B12R1.27 CCC(C)NCc1cccnc1 2230a_100000209981_100000741622 [0,0,0,0,0,1|3,0,0]=4 1622 B12R1.27 CCC(C)NCc1cccnc1 270004a_100000209981_100000209961 [0,0,0,0,0,1|3,0,0]=4 1623 B12R1.27 CCC(C)NCc1ccncc1 207a_100000209981_100000186114 [0,0,0,0,0,1|3,0,0]=4 1624 B12R1.27 CCC(C)NCc1ccncc1 2230a_100000209981_100015193705 [0,0,0,0,0,1|3,0,0]=4 1625 B12R1.27 CCC(C)OCc1ccccc1 34a_100000210790_100011215416 [0,0,0,0,0,1|2,0,0]=3 1626 B12R1.27 CCC(C)OCc1ccccc1 7a_100000210228_100000211182 [0,0,0,0,0,1|2,0,0]=3 1627 B12R1.27 CCC(C)OCc1ccccc1 7a_100000210790_100000758301 [0,0,0,0,0,1|2,0,0]=3 1628 B12R1.27 CCC(C)OCc1ccccn1 7a_100000210228_100000721315 [0,0,0,0,0,1|3,0,0]=4 1629 B12R1.27 CCC(C)OCc1cccnc1 7a_100000210228_100000741622 [0,0,0,0,0,1|3,0,0]=4 1630 B12R1.27 CCC(C)OCc1ccncc1 7a_100000210228_100015193705 [0,0,0,0,0,1|3,0,0]=4 1631 B12R1.27 CCC(C)SCc1ccccc1 62a_100000211182_100000758301 [0,0,0,0,0,1|2,0,0]=3 1632 B12R1.27 CCC(C)SCc1ccccc1 62a_100000758301_100015291786 [0,0,0,0,0,1|2,0,0]=3 1633 B12R1.27 CCC(C)SCc1ccccn1 62a_100000721315_100000758301 [0,0,0,0,0,1|3,0,0]=4 1634 B12R1.27 CCC(C)SCc1ccccn1 62a_100000758301_100000721315 [0,0,0,0,0,1|3,0,0]=4 1635 B12R1.27 CCC(C)SCc1cccnc1 62a_100000741622_100000758301 [0,0,0,0,0,1|3,0,0]=4 1636 B12R1.27 CCC(C)SCc1cccnc1 62a_100000758301_100000741622 [0,0,0,0,0,1|3,0,0]=4 1637 B12R1.27 CCC(C)SCc1ccncc1 62a_100000758301_100015193705 [0,0,0,0,0,1|3,0,0]=4 1638 B12R1.27 CCC(C)SCc1ccncc1 62a_100015193705_100000758301 [0,0,0,0,0,1|3,0,0]=4 1639 B12R1.27 CCC(O)CNc1ccccc1 34a_100000106764_100011218378 [0,0,0,0,0,1|2,0,0]=3 1640 B12R1.27 CCC(O)COc1ccccc1 34a_100000210340_100011218378 [0,0,0,0,0,1|2,0,0]=3 1641 B12R1.27 CCC(O)COc1ccccc1 7a_100000210340_100011218378 [0,0,0,0,0,1|2,0,0]=3 1642 B12R1.27 CCC(O)COc1cccnc1 34a_100000210849_100011218378 [0,0,0,0,0,1|3,0,0]=4 1643 B12R1.27 CCC(O)COc1cccnc1 7a_100000210849_100011218378 [0,0,0,0,0,1|3,0,0]=4 1644 B12R1.27 CCC(O)COc1ccncc1 34a_100000212176_100011218378 [0,0,0,0,0,1|3,0,0]=4 1645 B12R1.27 CCC(O)CSc1ccccc1 62a_100000719477_100011218378 [0,0,0,0,0,1|2,0,0]=3 1646 B12R1.27 CCC(O)CSc1ccccc1 62a_100011218378_100000041952 [0,0,0,0,0,1|2,0,0]=3 1647 B12R1.27 CCC(O)CSc1ccccn1 62a_100011216584_100011218378 [0,0,0,0,0,1|3,0,0]=4 1648 B12R1.27 CCC(O)CSc1ccccn1 62a_100011218378_100011216584 [0,0,0,0,0,1|3,0,0]=4 1649 B12R1.27 CCC(O)CSc1cccnc1 62a_100000210063_100011218378 [0,0,0,0,0,1|3,0,0]=4 1650 B12R1.27 CCC(O)CSc1cccnc1 62a_100011218378_100000210063 [0,0,0,0,0,1|3,0,0]=4 1651 B12R1.27 CCC(O)CSc1ccncc1 62a_100000728582_100011218378 [0,0,0,0,0,1|3,0,0]=4 1652 B12R1.27 CCC(O)CSc1ccncc1 62a_100011218378_100000728582 [0,0,0,0,0,1|3,0,0]=4 1653 B12R1.27 CCN(C)CCc1ccccc1 2230a_100000207497_100000210202 [0,0,0,0,0,1|3,0,0]=4 1654 B12R1.27 CCN(C)CCc1ccccc1 2230a_100000225621_100000765856 [0,0,0,0,0,1|3,0,0]=4 1655 B12R1.27 CCN(C)CCc1ccccc1 2230a_100000741020_200000210301 [0,0,0,0,0,1|3,0,0]=4 1656 B12R1.27 CCN(C)CCc1ccccc1 269982a_100000207497_100000204670 [0,0,0,0,0,1|3,0,0]=4 1657 B12R1.27 CCN(C)CCc1ccccc1 269982a_100000225621_100000765856 [0,0,0,0,0,1|3,0,0]=4 1658 B12R1.27 CCN(C)CCc1ccccc1 269982a_100000741020_200000210301 [0,0,0,0,0,1|3,0,0]=4 1659 B12R1.27 CCN(C)CSc1ccccc1 2230a_100000225621_100011218342 [0,0,0,0,0,1|3,0,0]=4 1660 B12R1.27 CCN(C)CSc1ccccc1 269982a_100000225621_100011218342 [0,0,0,0,0,1|3,0,0]=4 1661 B12R1.27 CCN([13CH3])CCc1ccccc1 2230a_100000741020_200025704644 [0,0,0,0,0,1|3,0,0]=4 1662 B12R1.27 CCN([13CH3])CCc1ccccc1 269982a_100000741020_200025704644 [0,0,0,0,0,1|3,0,0]=4 1663 B12R1.27 CC[C@H](C)CNc1ccccc1 34a_100000106764_100009816398 [0,0,0,0,0,1|2,0,0]=3 1664 B12R1.27 CC[C@H](C)COc1ccccc1 34a_100000210340_100009816398 [0,0,0,0,0,1|2,0,0]=3 1665 B12R1.27 CC[C@H](C)COc1ccccc1 7a_100000210340_100009816398 [0,0,0,0,0,1|2,0,0]=3 1666 B12R1.27 CC[C@H](C)COc1cccnc1 34a_100000210849_100009816398 [0,0,0,0,0,1|3,0,0]=4 1667 B12R1.27 CC[C@H](C)COc1cccnc1 7a_100000210849_100009816398 [0,0,0,0,0,1|3,0,0]=4 1668 B12R1.27 CC[C@H](C)COc1ccncc1 34a_100000212176_100009816398 [0,0,0,0,0,1|3,0,0]=4 1669 B12R1.27 CC[C@H](C)CSc1ccccc1 62a_100000719477_100009816398 [0,0,0,0,0,1|2,0,0]=3 1670 B12R1.27 CC[C@H](C)CSc1ccccc1 62a_100009816398_100000041952 [0,0,0,0,0,1|2,0,0]=3 1671 B12R1.27 CC[C@H](C)CSc1ccccn1 62a_100009816398_100011216584 [0,0,0,0,0,1|3,0,0]=4 1672 B12R1.27 CC[C@H](C)CSc1ccccn1 62a_100011216584_100009816398 [0,0,0,0,0,1|3,0,0]=4 1673 B12R1.27 CC[C@H](C)CSc1cccnc1 62a_100000210063_100009816398 [0,0,0,0,0,1|3,0,0]=4 1674 B12R1.27 CC[C@H](C)CSc1cccnc1 62a_100009816398_100000210063 [0,0,0,0,0,1|3,0,0]=4 1675 B12R1.27 CC[C@H](C)CSc1ccncc1 62a_100000728582_100009816398 [0,0,0,0,0,1|3,0,0]=4 1676 B12R1.27 CC[C@H](C)CSc1ccncc1 62a_100009816398_100000728582 [0,0,0,0,0,1|3,0,0]=4 1677 B12R1.27 CN(CF)CCc1ccccc1 269982a_100000207497_100015361967 [0,0,0,0,0,1|3,0,0]=4 1678 B12R1.27 CNC(C)CCc1ccccc1 2230a_100000210798_200000210301 [0,0,0,0,0,1|3,0,0]=4 1679 B12R1.27 CNC(C)CCc1ccccc1 270004a_106832991635_100000210092 [0,0,0,0,0,1|3,0,0]=4 1680 B12R1.27 CNC(C)CCc1ccccc1 34a_100000210798_200000210301 [0,0,0,0,0,1|3,0,0]=4 1681 B12R1.27 CNC(C)COc1ccccc1 2230a_100000746794_200000210301 [0,0,0,0,0,1|3,0,0]=4 1682 B12R1.27 CNC(C)COc1ccccc1 270004a_106832991635_100000150576 [0,0,0,0,0,1|3,0,0]=4 1683 B12R1.27 CNC(C)COc1ccccc1 34a_100000746794_200000210301 [0,0,0,0,0,1|3,0,0]=4 1684 B12R1.27 CNC(C)CSc1ccccc1 270004a_106832991635_100000150717 [0,0,0,0,0,1|3,0,0]=4 1685 B12R1.27 COC(C)COc1ccccc1 34a_100000210911_200000210301 [0,0,0,0,0,1|3,0,0]=4 1686 B12R1.27 COC(C)COc1ccccc1 7a_100000210911_200000210301 [0,0,0,0,0,1|3,0,0]=4 1687 B12R1.27 COC(C)SCc1ccccc1 62a_100000211182_100009879195 [0,0,0,0,0,1|3,0,0]=4 1688 B12R1.27 COC(C)SCc1ccccc1 62a_100009879195_100015291786 [0,0,0,0,0,1|3,0,0]=4 1689 B12R1.27 CO[C@@H](C)CCc1ccccc1 34a_100009815974_200000210301 [0,0,0,0,0,1|3,0,0]=4 1690 B12R1.27 CO[C@@H](C)CCc1ccccc1 7a_100009815974_200000210301 [0,0,0,0,0,1|3,0,0]=4 1691 B12R1.27 C[C@@H](CCc1ccccc1)O[13CH3] 34a_100009815974_200025704644 [0,0,0,0,0,1|3,0,0]=4 1692 B12R1.27 C[C@@H](CCc1ccccc1)O[13CH3] 7a_100009815974_200025704644 [0,0,0,0,0,1|3,0,0]=4 1693 B12R1.27 C[C@@H](CO)CNc1ccccc1 34a_100000106764_100000059175 [0,0,0,0,0,1|1,0,0]=2 1694 B12R1.27 C[C@@H](CO)COc1ccccc1 34a_100000210340_100000059175 [0,0,0,0,0,1|1,0,0]=2 1695 B12R1.27 C[C@@H](CO)COc1ccccc1 7a_100000210340_100000059175 [0,0,0,0,0,1|1,0,0]=2 1696 B12R1.27 C[C@@H](CO)COc1cccnc1 34a_100000210849_100000059175 [0,0,0,0,0,1|2,0,0]=3 1697 B12R1.27 C[C@@H](CO)COc1cccnc1 7a_100000210849_100000059175 [0,0,0,0,0,1|2,0,0]=3 1698 B12R1.27 C[C@@H](CO)COc1ccncc1 34a_100000212176_100000059175 [0,0,0,0,0,1|2,0,0]=3 1699 B12R1.27 C[C@@H](CO)COc1ccnnc1 34a_100015204005_100000059175 [0,0,0,0,0,1|3,0,0]=4 1700 B12R1.27 C[C@@H](CO)COc1cncnc1 7a_100000754086_100000059175 [0,0,0,0,0,1|3,0,0]=4 1701 B12R1.27 C[C@@H](CO)CSc1ccccc1 62a_100000059175_100000041952 [0,0,0,0,0,1|1,0,0]=2 1702 B12R1.27 C[C@@H](CO)CSc1ccccc1 62a_100000719477_100000059175 [0,0,0,0,0,1|1,0,0]=2 1703 B12R1.27 C[C@@H](CO)CSc1ccccn1 62a_100000059175_100011216584 [0,0,0,0,0,1|2,0,0]=3 1704 B12R1.27 C[C@@H](CO)CSc1ccccn1 62a_100011216584_100000059175 [0,0,0,0,0,1|2,0,0]=3 1705 B12R1.27 C[C@@H](CO)CSc1cccnc1 62a_100000059175_100000210063 [0,0,0,0,0,1|2,0,0]=3 1706 B12R1.27 C[C@@H](CO)CSc1cccnc1 62a_100000210063_100000059175 [0,0,0,0,0,1|2,0,0]=3 1707 B12R1.27 C[C@@H](CO)CSc1cccnn1 62a_100000059175_100016991348 [0,0,0,0,0,1|3,0,0]=4 1708 B12R1.27 C[C@@H](CO)CSc1cccnn1 62a_100016991348_100000059175 [0,0,0,0,0,1|3,0,0]=4 1709 B12R1.27 C[C@@H](CO)CSc1ccncc1 62a_100000059175_100000728582 [0,0,0,0,0,1|2,0,0]=3 1710 B12R1.27 C[C@@H](CO)CSc1ccncc1 62a_100000728582_100000059175 [0,0,0,0,0,1|2,0,0]=3 1711 B12R1.27 C[C@@H](CO)CSc1ccncn1 62a_100000059175_100000703185 [0,0,0,0,0,1|3,0,0]=4 1712 B12R1.27 C[C@@H](CO)CSc1ccncn1 62a_100000703185_100000059175 [0,0,0,0,0,1|3,0,0]=4 1713 B12R1.27 C[C@@H](CO)CSc1ccnnc1 62a_100000059175_100000732662 [0,0,0,0,0,1|3,0,0]=4 1714 B12R1.27 C[C@@H](CO)CSc1ccnnc1 62a_100000732662_100000059175 [0,0,0,0,0,1|3,0,0]=4 1715 B12R1.27 C[C@@H](CO)CSc1cnccn1 62a_100000059175_100000211759 [0,0,0,0,0,1|3,0,0]=4 1716 B12R1.27 C[C@@H](CO)CSc1cnccn1 62a_100000211759_100000059175 [0,0,0,0,0,1|3,0,0]=4 1717 B12R1.27 C[C@@H](CO)CSc1cncnc1 62a_100000059175_100011206942 [0,0,0,0,0,1|3,0,0]=4 1718 B12R1.27 C[C@@H](CO)CSc1cncnc1 62a_100011206942_100000059175 [0,0,0,0,0,1|3,0,0]=4 1719 B12R1.27 C[C@@H](CO)CSc1ncccn1 62a_100000059175_100000211032 [0,0,0,0,0,1|3,0,0]=4 1720 B12R1.27 C[C@@H](CO)CSc1ncccn1 62a_100000211032_100000059175 [0,0,0,0,0,1|3,0,0]=4 1721 B12R1.27 C[C@H](CF)NCc1ccccc1 207a_100102880703_100015611070 [0,0,0,0,0,1|2,0,0]=3 1722 B12R1.27 C[C@H](CF)NCc1ccccc1 270004a_100102880703_100015611070 [0,0,0,0,0,1|2,0,0]=3 1723 B12R1.27 C[C@H](CF)NCc1ccccn1 207a_100102880703_100000209966 [0,0,0,0,0,1|3,0,0]=4 1724 B12R1.27 C[C@H](CF)NCc1ccccn1 270004a_100102880703_100000209966 [0,0,0,0,0,1|3,0,0]=4 1725 B12R1.27 C[C@H](CF)NCc1cccnc1 207a_100102880703_100000209961 [0,0,0,0,0,1|3,0,0]=4 1726 B12R1.27 C[C@H](CF)NCc1cccnc1 270004a_100102880703_100000209961 [0,0,0,0,0,1|3,0,0]=4 1727 B12R1.27 C[C@H](CF)NCc1ccncc1 207a_100102880703_100000186114 [0,0,0,0,0,1|3,0,0]=4 1728 B12R1.27 C[C@H](CO)NCc1ccccc1 207a_100000737577_100015611070 [0,0,0,0,0,1|1,0,0]=2 1729 B12R1.27 C[C@H](CO)NCc1ccccc1 2230a_100000737577_100015291786 [0,0,0,0,0,1|1,0,0]=2 1730 B12R1.27 C[C@H](CO)NCc1ccccc1 270004a_100000737577_100015611070 [0,0,0,0,0,1|1,0,0]=2 1731 B12R1.27 C[C@H](CO)NCc1ccccn1 207a_100000737577_100000209966 [0,0,0,0,0,1|2,0,0]=3 1732 B12R1.27 C[C@H](CO)NCc1ccccn1 2230a_100000737577_100000721315 [0,0,0,0,0,1|2,0,0]=3 1733 B12R1.27 C[C@H](CO)NCc1ccccn1 270004a_100000737577_100000209966 [0,0,0,0,0,1|2,0,0]=3 1734 B12R1.27 C[C@H](CO)NCc1cccnc1 207a_100000737577_100000209961 [0,0,0,0,0,1|2,0,0]=3 1735 B12R1.27 C[C@H](CO)NCc1cccnc1 2230a_100000737577_100000741622 [0,0,0,0,0,1|2,0,0]=3 1736 B12R1.27 C[C@H](CO)NCc1cccnc1 270004a_100000737577_100000209961 [0,0,0,0,0,1|2,0,0]=3 1737 B12R1.27 C[C@H](CO)NCc1cccnn1 2230a_100000737577_100016990269 [0,0,0,0,0,1|3,0,0]=4 1738 B12R1.27 C[C@H](CO)NCc1ccncc1 207a_100000737577_100000186114 [0,0,0,0,0,1|2,0,0]=3 1739 B12R1.27 C[C@H](CO)NCc1ccncc1 2230a_100000737577_100015193705 [0,0,0,0,0,1|2,0,0]=3 1740 B12R1.27 C[C@H](CO)NCc1ccnnc1 270004a_100000737577_100011934578 [0,0,0,0,0,1|3,0,0]=4 1741 B12R1.27 C[C@H](CO)NCc1cnccn1 2230a_100000737577_100016995436 [0,0,0,0,0,1|3,0,0]=4 1742 B12R1.27 C[C@H](CO)NCc1cnccn1 270004a_100000737577_100000749867 [0,0,0,0,0,1|3,0,0]=4 1743 B12R1.27 C[C@H](CO)NCc1cncnc1 2230a_100000737577_100015196519 [0,0,0,0,0,1|3,0,0]=4 1744 B12R1.27 C[C@H](CO)NCc1cncnc1 270004a_100000737577_100000749868 [0,0,0,0,0,1|3,0,0]=4 1745 B12R1.27 C[C@H](CO)NCc1ncccn1 2230a_100000737577_100000703007 [0,0,0,0,0,1|3,0,0]=4 1746 B12R1.27 C[C@H](CO)NCc1ncccn1 270004a_100000737577_100011532527 [0,0,0,0,0,1|3,0,0]=4 1747 B12R1.27 C[C@H](CO)SCc1ccccc1 62a_100000211182_100016084084 [0,0,0,0,0,1|1,0,0]=2 1748 B12R1.27 C[C@H](CO)SCc1ccccc1 62a_100016084084_100015291786 [0,0,0,0,0,1|1,0,0]=2 1749 B12R1.27 C[C@H](CO)SCc1ccccn1 62a_100000721315_100016084084 [0,0,0,0,0,1|2,0,0]=3 1750 B12R1.27 C[C@H](CO)SCc1ccccn1 62a_100016084084_100000721315 [0,0,0,0,0,1|2,0,0]=3 1751 B12R1.27 C[C@H](CO)SCc1cccnc1 62a_100000741622_100016084084 [0,0,0,0,0,1|2,0,0]=3 1752 B12R1.27 C[C@H](CO)SCc1cccnc1 62a_100016084084_100000741622 [0,0,0,0,0,1|2,0,0]=3 1753 B12R1.27 C[C@H](CO)SCc1cccnn1 62a_100016084084_100016990269 [0,0,0,0,0,1|3,0,0]=4 1754 B12R1.27 C[C@H](CO)SCc1cccnn1 62a_100016990269_100016084084 [0,0,0,0,0,1|3,0,0]=4 1755 B12R1.27 C[C@H](CO)SCc1ccncc1 62a_100015193705_100016084084 [0,0,0,0,0,1|2,0,0]=3 1756 B12R1.27 C[C@H](CO)SCc1ccncc1 62a_100016084084_100015193705 [0,0,0,0,0,1|2,0,0]=3 1757 B12R1.27 C[C@H](CO)SCc1cnccn1 62a_100016084084_100016995436 [0,0,0,0,0,1|3,0,0]=4 1758 B12R1.27 C[C@H](CO)SCc1cnccn1 62a_100016995436_100016084084 [0,0,0,0,0,1|3,0,0]=4 1759 B12R1.27 C[C@H](CO)SCc1cncnc1 62a_100015196519_100016084084 [0,0,0,0,0,1|3,0,0]=4 1760 B12R1.27 C[C@H](CO)SCc1cncnc1 62a_100016084084_100015196519 [0,0,0,0,0,1|3,0,0]=4 1761 B12R1.27 C[C@H](CO)SCc1ncccn1 62a_100000703007_100016084084 [0,0,0,0,0,1|3,0,0]=4 1762 B12R1.27 C[C@H](CO)SCc1ncccn1 62a_100016084084_100000703007 [0,0,0,0,0,1|3,0,0]=4 1763 B12R1.27 N#CC(F)SCc1ccccc1 62a_100000211182_200000117898 [0,0,0,0,0,1|2,0,1]=4 1764 B12R1.27 N#CC(F)SCc1ccccc1 62a_200000117898_100015291786 [0,0,0,0,0,1|2,0,1]=4 1765 B12R1.27 O=C(CF)CCc1ccccc1 1458a_100000185753_100015361967 [0,0,0,0,0,1|2,0,1]=4 1766 B12R1.27 O=C(CF)COc1ccccc1 1458a_100000186222_100015361967 [0,0,0,0,0,1|2,0,1]=4 1767 B12R1.27 O=C(CF)CSc1ccccc1 1458a_100000211596_100015361967 [0,0,0,0,0,1|2,0,1]=4 1768 B12R1.27 O=C(CO)CCc1ccccc1 1458a_100000210174_100000765856 [0,0,0,0,0,1|1,0,1]=3 1769 B12R1.27 O=C(CO)CCc1ccccn1 1458a_100000210174_100015183660 [0,0,0,0,0,1|2,0,1]=4 1770 B12R1.27 O=C(CO)CCc1cccnc1 1458a_100000210174_200011713674 [0,0,0,0,0,1|2,0,1]=4 1771 B12R1.27 O=C(CO)CCc1ccncc1 1458a_100000210174_100000723409 [0,0,0,0,0,1|2,0,1]=4 1772 B12R1.27 O=C(CO)NCc1ccccc1 240690a_100015324214_100000210174 [0,0,0,0,0,1|1,0,1]=3 1773 B12R1.27 O=C(CO)NCc1ccccc1 527a_100015324214_100000210174 [0,0,0,0,0,1|1,0,1]=3 1774 B12R1.27 O=C(CO)NCc1ccccn1 240690a_100000210449_100000210174 [0,0,0,0,0,1|2,0,1]=4 1775 B12R1.27 O=C(CO)NCc1ccccn1 527a_100000210449_100000210174 [0,0,0,0,0,1|2,0,1]=4 1776 B12R1.27 O=C(CO)NCc1cccnc1 240690a_100000210453_100000210174 [0,0,0,0,0,1|2,0,1]=4 1777 B12R1.27 O=C(CO)NCc1cccnc1 527a_100000210453_100000210174 [0,0,0,0,0,1|2,0,1]=4 1778 B12R1.27 O=C(CO)NCc1ccncc1 240690a_100000210450_100000210174 [0,0,0,0,0,1|2,0,1]=4 1779 B12R1.27 O=C(CO)NCc1ccncc1 527a_100000210450_100000210174 [0,0,0,0,0,1|2,0,1]=4 1780 B12R1.27 O=C(CO)NNc1ccccc1 22a_100015195140_100000210174 [0,0,0,0,0,1|2,0,1]=4 1781 B12R1.27 OCC(O)CNc1ccccc1 34a_100000106764_100011219619 [0,0,0,0,0,1|1,0,0]=2 1782 B12R1.27 OCC(O)COc1ccccc1 34a_100000210340_100011219619 [0,0,0,0,0,1|1,0,0]=2 1783 B12R1.27 OCC(O)COc1ccccc1 7a_100000210340_100011219619 [0,0,0,0,0,1|1,0,0]=2 1784 B12R1.27 OCC(O)COc1cccnc1 34a_100000210849_100011219619 [0,0,0,0,0,1|2,0,0]=3 1785 B12R1.27 OCC(O)COc1cccnc1 7a_100000210849_100011219619 [0,0,0,0,0,1|2,0,0]=3 1786 B12R1.27 OCC(O)COc1ccncc1 34a_100000212176_100011219619 [0,0,0,0,0,1|2,0,0]=3 1787 B12R1.27 OCC(O)COc1ccnnc1 34a_100015204005_100011219619 [0,0,0,0,0,1|3,0,0]=4 1788 B12R1.27 OCC(O)COc1cncnc1 7a_100000754086_100011219619 [0,0,0,0,0,1|3,0,0]=4 1789 B12R1.27 OCC(O)CSc1ccccc1 62a_100000719477_100011219619 [0,0,0,0,0,1|1,0,0]=2 1790 B12R1.27 OCC(O)CSc1ccccc1 62a_100011219619_100000041952 [0,0,0,0,0,1|1,0,0]=2 1791 B12R1.27 OCC(O)CSc1ccccn1 62a_100011216584_100011219619 [0,0,0,0,0,1|2,0,0]=3 1792 B12R1.27 OCC(O)CSc1ccccn1 62a_100011219619_100011216584 [0,0,0,0,0,1|2,0,0]=3 1793 B12R1.27 OCC(O)CSc1cccnc1 62a_100000210063_100011219619 [0,0,0,0,0,1|2,0,0]=3 1794 B12R1.27 OCC(O)CSc1cccnc1 62a_100011219619_100000210063 [0,0,0,0,0,1|2,0,0]=3 1795 B12R1.27 OCC(O)CSc1cccnn1 62a_100011219619_100016991348 [0,0,0,0,0,1|3,0,0]=4 1796 B12R1.27 OCC(O)CSc1cccnn1 62a_100016991348_100011219619 [0,0,0,0,0,1|3,0,0]=4 1797 B12R1.27 OCC(O)CSc1ccncc1 62a_100000728582_100011219619 [0,0,0,0,0,1|2,0,0]=3 1798 B12R1.27 OCC(O)CSc1ccncc1 62a_100011219619_100000728582 [0,0,0,0,0,1|2,0,0]=3 1799 B12R1.27 OCC(O)CSc1ccncn1 62a_100000703185_100011219619 [0,0,0,0,0,1|3,0,0]=4 1800 B12R1.27 OCC(O)CSc1ccncn1 62a_100011219619_100000703185 [0,0,0,0,0,1|3,0,0]=4 1801 B12R1.27 OCC(O)CSc1ccnnc1 62a_100000732662_100011219619 [0,0,0,0,0,1|3,0,0]=4 1802 B12R1.27 OCC(O)CSc1ccnnc1 62a_100011219619_100000732662 [0,0,0,0,0,1|3,0,0]=4 1803 B12R1.27 OCC(O)CSc1cnccn1 62a_100000211759_100011219619 [0,0,0,0,0,1|3,0,0]=4 1804 B12R1.27 OCC(O)CSc1cnccn1 62a_100011219619_100000211759 [0,0,0,0,0,1|3,0,0]=4 1805 B12R1.27 OCC(O)CSc1cncnc1 62a_100011206942_100011219619 [0,0,0,0,0,1|3,0,0]=4 1806 B12R1.27 OCC(O)CSc1cncnc1 62a_100011219619_100011206942 [0,0,0,0,0,1|3,0,0]=4 1807 B12R1.27 OCC(O)CSc1ncccn1 62a_100000211032_100011219619 [0,0,0,0,0,1|3,0,0]=4 1808 B12R1.27 OCC(O)CSc1ncccn1 62a_100011219619_100000211032 [0,0,0,0,0,1|3,0,0]=4 1809 B12R1.27 OC[C@@H](O)CNc1cccnn1 27a_100020644852_100016991348 [0,0,0,0,0,1|3,0,0]=4 1810 B12R1.27 OC[C@@H](O)CNc1ccncn1 27a_100020644852_100000703185 [0,0,0,0,0,1|3,0,0]=4 1811 B12R1.27 OC[C@@H](O)CNc1cnccn1 27a_100020644852_100000211759 [0,0,0,0,0,1|3,0,0]=4 1812 B12R1.27 OC[C@@H](O)CNc1ncccn1 27a_100020644852_100000211032 [0,0,0,0,0,1|3,0,0]=4 1813 B12R1.27 OC[C@H](F)CNc1cccnn1 27a_100015665980_100016991348 [0,0,0,0,0,1|3,0,0]=4 1814 B12R1.27 OC[C@H](F)CNc1ccncn1 27a_100015665980_100000703185 [0,0,0,0,0,1|3,0,0]=4 1815 B12R1.27 OC[C@H](F)CNc1cnccn1 27a_100015665980_100000211759 [0,0,0,0,0,1|3,0,0]=4 1816 B12R1.27 OC[C@H](F)CNc1ncccn1 27a_100015665980_100000211032 [0,0,0,0,0,1|3,0,0]=4 1817 B12R1.27 OC[C@H](O)CNc1ccccc1 34a_100000106764_100009815848 [0,0,0,0,0,1|1,0,0]=2 1818 B12R1.27 OC[C@H](O)COc1ccccc1 34a_100000210340_100009815848 [0,0,0,0,0,1|1,0,0]=2 1819 B12R1.27 OC[C@H](O)COc1ccccc1 7a_100000210340_100009815848 [0,0,0,0,0,1|1,0,0]=2 1820 B12R1.27 OC[C@H](O)COc1cccnc1 34a_100000210849_100009815848 [0,0,0,0,0,1|2,0,0]=3 1821 B12R1.27 OC[C@H](O)COc1cccnc1 7a_100000210849_100009815848 [0,0,0,0,0,1|2,0,0]=3 1822 B12R1.27 OC[C@H](O)COc1ccncc1 34a_100000212176_100009815848 [0,0,0,0,0,1|2,0,0]=3 1823 B12R1.27 OC[C@H](O)COc1ccnnc1 34a_100015204005_100009815848 [0,0,0,0,0,1|3,0,0]=4 1824 B12R1.27 OC[C@H](O)COc1cncnc1 7a_100000754086_100009815848 [0,0,0,0,0,1|3,0,0]=4 1825 B12R1.27 OC[C@H](O)CSc1ccccc1 62a_100000719477_100009815848 [0,0,0,0,0,1|1,0,0]=2 1826 B12R1.27 OC[C@H](O)CSc1ccccc1 62a_100009815848_100000041952 [0,0,0,0,0,1|1,0,0]=2 1827 B12R1.27 OC[C@H](O)CSc1ccccn1 62a_100009815848_100011216584 [0,0,0,0,0,1|2,0,0]=3 1828 B12R1.27 OC[C@H](O)CSc1ccccn1 62a_100011216584_100009815848 [0,0,0,0,0,1|2,0,0]=3 1829 B12R1.27 OC[C@H](O)CSc1cccnc1 62a_100000210063_100009815848 [0,0,0,0,0,1|2,0,0]=3 1830 B12R1.27 OC[C@H](O)CSc1cccnc1 62a_100009815848_100000210063 [0,0,0,0,0,1|2,0,0]=3 1831 B12R1.27 OC[C@H](O)CSc1cccnn1 62a_100009815848_100016991348 [0,0,0,0,0,1|3,0,0]=4 1832 B12R1.27 OC[C@H](O)CSc1cccnn1 62a_100016991348_100009815848 [0,0,0,0,0,1|3,0,0]=4 1833 B12R1.27 OC[C@H](O)CSc1ccncc1 62a_100000728582_100009815848 [0,0,0,0,0,1|2,0,0]=3 1834 B12R1.27 OC[C@H](O)CSc1ccncc1 62a_100009815848_100000728582 [0,0,0,0,0,1|2,0,0]=3 1835 B12R1.27 OC[C@H](O)CSc1ccncn1 62a_100000703185_100009815848 [0,0,0,0,0,1|3,0,0]=4 1836 B12R1.27 OC[C@H](O)CSc1ccncn1 62a_100009815848_100000703185 [0,0,0,0,0,1|3,0,0]=4 1837 B12R1.27 OC[C@H](O)CSc1ccnnc1 62a_100000732662_100009815848 [0,0,0,0,0,1|3,0,0]=4 1838 B12R1.27 OC[C@H](O)CSc1ccnnc1 62a_100009815848_100000732662 [0,0,0,0,0,1|3,0,0]=4 1839 B12R1.27 OC[C@H](O)CSc1cnccn1 62a_100000211759_100009815848 [0,0,0,0,0,1|3,0,0]=4 1840 B12R1.27 OC[C@H](O)CSc1cnccn1 62a_100009815848_100000211759 [0,0,0,0,0,1|3,0,0]=4 1841 B12R1.27 OC[C@H](O)CSc1cncnc1 62a_100009815848_100011206942 [0,0,0,0,0,1|3,0,0]=4 1842 B12R1.27 OC[C@H](O)CSc1cncnc1 62a_100011206942_100009815848 [0,0,0,0,0,1|3,0,0]=4 1843 B12R1.27 OC[C@H](O)CSc1ncccn1 62a_100000211032_100009815848 [0,0,0,0,0,1|3,0,0]=4 1844 B12R1.27 OC[C@H](O)CSc1ncccn1 62a_100009815848_100000211032 [0,0,0,0,0,1|3,0,0]=4 1845 B12R1.27 O[C@@H](CF)CNc1ccccc1 34a_100000106764_100015614560 [0,0,0,0,0,1|2,0,0]=3 1846 B12R1.27 O[C@@H](CF)COc1ccccc1 34a_100000210340_100015614560 [0,0,0,0,0,1|2,0,0]=3 1847 B12R1.27 O[C@@H](CF)COc1ccccc1 7a_100000210340_100015614560 [0,0,0,0,0,1|2,0,0]=3 1848 B12R1.27 O[C@@H](CF)COc1cccnc1 34a_100000210849_100015614560 [0,0,0,0,0,1|3,0,0]=4 1849 B12R1.27 O[C@@H](CF)COc1cccnc1 7a_100000210849_100015614560 [0,0,0,0,0,1|3,0,0]=4 1850 B12R1.27 O[C@@H](CF)COc1ccncc1 34a_100000212176_100015614560 [0,0,0,0,0,1|3,0,0]=4 1851 B12R1.27 O[C@@H](CF)CSc1ccccc1 62a_100000719477_100015614560 [0,0,0,0,0,1|2,0,0]=3 1852 B12R1.27 O[C@@H](CF)CSc1ccccc1 62a_100015614560_100000041952 [0,0,0,0,0,1|2,0,0]=3 1853 B12R1.27 O[C@@H](CF)CSc1ccccn1 62a_100011216584_100015614560 [0,0,0,0,0,1|3,0,0]=4 1854 B12R1.27 O[C@@H](CF)CSc1ccccn1 62a_100015614560_100011216584 [0,0,0,0,0,1|3,0,0]=4 1855 B12R1.27 O[C@@H](CF)CSc1cccnc1 62a_100000210063_100015614560 [0,0,0,0,0,1|3,0,0]=4 1856 B12R1.27 O[C@@H](CF)CSc1cccnc1 62a_100015614560_100000210063 [0,0,0,0,0,1|3,0,0]=4 1857 B12R1.27 O[C@@H](CF)CSc1ccncc1 62a_100000728582_100015614560 [0,0,0,0,0,1|3,0,0]=4 1858 B12R1.27 O[C@@H](CF)CSc1ccncc1 62a_100015614560_100000728582 [0,0,0,0,0,1|3,0,0]=4 1859 B9R0.4 C=CC=CC(=O)CC(C)C 1458a_100016291481_100000210624 [1,0,1,0,0,0|2,0,0]=4 1860 B9R0.4 C=CC=CC(=O)CC(C)O 1458a_100016291481_100011218427 [1,0,1,0,0,0|2,0,0]=4 1861 B9R0.18 C=CC=CC(=O)CCCC 1458a_100016291481_100000210211 [1,0,1,0,0,0|2,0,0]=4 1862 B9R0.18 C=CC=CC(=O)CCCF 1458a_100016291481_100011934791 [1,0,1,0,0,0|2,0,0]=4 1863 B9R0.18 C=CC=CC(=O)CCCO 1458a_100016291481_100011215043 [1,0,1,0,0,0|1,0,0]=3 1864 B9R1.8 CC=Cc1ccccc1 271570a_100016259895_100000210277 [2,0,0,0,0,0|0,0,2]=4 1865 B9R1.8 CCNc1ccccc1 34a_100000106764_100000210202 [2,0,0,0,0,0|1,0,0]=3 1866 B9R1.8 CCOc1ccccc1 34a_100000210340_100000210202 [2,0,0,0,0,0|1,0,0]=3 1867 B9R1.8 CCOc1ccccc1 7a_100000210340_100000210202 [2,0,0,0,0,0|1,0,0]=3 1868 B9R1.8 CCOc1cccnc1 34a_100000210849_100000210202 [2,0,0,0,0,0|2,0,0]=4 1869 B9R1.8 CCOc1cccnc1 7a_100000210849_100000210202 [2,0,0,0,0,0|2,0,0]=4 1870 B9R1.8 CCOc1ccncc1 34a_100000212176_100000210202 [2,0,0,0,0,0|2,0,0]=4 1871 B9R1.8 CCSc1ccccc1 62a_100000210202_100000041952 [2,0,0,0,0,0|1,0,0]=3 1872 B9R1.8 CCSc1ccccc1 62a_100000719477_100000210202 [2,0,0,0,0,0|1,0,0]=3 1873 B9R1.8 CCSc1ccccn1 62a_100000210202_100011216584 [2,0,0,0,0,0|2,0,0]=4 1874 B9R1.8 CCSc1ccccn1 62a_100011216584_100000210202 [2,0,0,0,0,0|2,0,0]=4 1875 B9R1.8 CCSc1cccnc1 62a_100000210063_100000210202 [2,0,0,0,0,0|2,0,0]=4 1876 B9R1.8 CCSc1cccnc1 62a_100000210202_100000210063 [2,0,0,0,0,0|2,0,0]=4 1877 B9R1.8 CCSc1ccncc1 62a_100000210202_100000728582 [2,0,0,0,0,0|2,0,0]=4 1878 B9R1.8 CCSc1ccncc1 62a_100000728582_100000210202 [2,0,0,0,0,0|2,0,0]=4 1879 B9R1.8 CNCc1ccccc1 207a_100102657272_100015611070 [2,0,0,0,0,0|1,0,0]=3 1880 B9R1.8 CNCc1ccccc1 2230a_100015324214_200000210301 [2,0,0,0,0,0|1,0,0]=3 1881 B9R1.8 CNCc1ccccc1 2230a_106832991635_100015291786 [2,0,0,0,0,0|1,0,0]=3 1882 B9R1.8 CNCc1ccccc1 270004a_106832991635_100015611070 [2,0,0,0,0,0|1,0,0]=3 1883 B9R1.8 CNCc1ccccc1 34a_100015324214_200000210301 [2,0,0,0,0,0|1,0,0]=3 1884 B9R1.8 CNCc1ccccc1 34a_100102657272_100015291786 [2,0,0,0,0,0|1,0,0]=3 1885 B9R1.8 CNCc1ccccc1 7a_106832991635_100000211182 [2,0,0,0,0,0|1,0,0]=3 1886 B9R1.8 CNCc1ccccn1 207a_100102657272_100000209966 [2,0,0,0,0,0|2,0,0]=4 1887 B9R1.8 CNCc1ccccn1 2230a_106832991635_100000721315 [2,0,0,0,0,0|2,0,0]=4 1888 B9R1.8 CNCc1ccccn1 270004a_106832991635_100000209966 [2,0,0,0,0,0|2,0,0]=4 1889 B9R1.8 CNCc1ccccn1 34a_100102657272_100000721315 [2,0,0,0,0,0|2,0,0]=4 1890 B9R1.8 CNCc1ccccn1 7a_106832991635_100000721315 [2,0,0,0,0,0|2,0,0]=4 1891 B9R1.8 CNCc1cccnc1 207a_100102657272_100000209961 [2,0,0,0,0,0|2,0,0]=4 1892 B9R1.8 CNCc1cccnc1 2230a_106832991635_100000741622 [2,0,0,0,0,0|2,0,0]=4 1893 B9R1.8 CNCc1cccnc1 270004a_106832991635_100000209961 [2,0,0,0,0,0|2,0,0]=4 1894 B9R1.8 CNCc1cccnc1 34a_100102657272_100000733263 [2,0,0,0,0,0|2,0,0]=4 1895 B9R1.8 CNCc1cccnc1 7a_106832991635_100000741622 [2,0,0,0,0,0|2,0,0]=4 1896 B9R1.8 CNCc1ccncc1 207a_100102657272_100000186114 [2,0,0,0,0,0|2,0,0]=4 1897 B9R1.8 CNCc1ccncc1 2230a_106832991635_100015193705 [2,0,0,0,0,0|2,0,0]=4 1898 B9R1.8 CNCc1ccncc1 7a_106832991635_100015193705 [2,0,0,0,0,0|2,0,0]=4 1899 B9R1.8 COCc1ccccc1 34a_100000210790_200000210301 [2,0,0,0,0,0|1,0,0]=3 1900 B9R1.8 COCc1ccccc1 34a_100138415774_100015291786 [2,0,0,0,0,0|1,0,0]=3 1901 B9R1.8 COCc1ccccc1 7a_100000210790_200000210301 [2,0,0,0,0,0|1,0,0]=3 1902 B9R1.8 COCc1ccccn1 34a_100138415774_100000721315 [2,0,0,0,0,0|2,0,0]=4 1903 B9R1.8 COCc1cccnc1 34a_100138415774_100000733263 [2,0,0,0,0,0|2,0,0]=4 1904 B9R1.8 CSCc1ccccc1 62a_100000211182_200000210301 [2,0,0,0,0,0|1,0,0]=3 1905 B9R1.8 CSCc1ccccc1 62a_200000210301_100015291786 [2,0,0,0,0,0|1,0,0]=3 1906 B9R1.8 CSCc1ccccn1 62a_100000721315_200000210301 [2,0,0,0,0,0|2,0,0]=4 1907 B9R1.8 CSCc1ccccn1 62a_200000210301_100000721315 [2,0,0,0,0,0|2,0,0]=4 1908 B9R1.8 CSCc1cccnc1 62a_100000741622_200000210301 [2,0,0,0,0,0|2,0,0]=4 1909 B9R1.8 CSCc1cccnc1 62a_200000210301_100000741622 [2,0,0,0,0,0|2,0,0]=4 1910 B9R1.8 CSCc1ccncc1 62a_100015193705_200000210301 [2,0,0,0,0,0|2,0,0]=4 1911 B9R1.8 CSCc1ccncc1 62a_200000210301_100015193705 [2,0,0,0,0,0|2,0,0]=4 1912 B9R1.8 FCNc1ccccc1 34a_100000106764_100015361967 [2,0,0,0,0,0|2,0,0]=4 1913 B9R1.8 FCOc1ccccc1 34a_100000210340_100015361967 [2,0,0,0,0,0|2,0,0]=4 1914 B9R1.8 FCOc1ccccc1 7a_100000210340_100015361967 [2,0,0,0,0,0|2,0,0]=4 1915 B9R1.8 FCSc1ccccc1 62a_100000719477_100015361967 [2,0,0,0,0,0|2,0,0]=4 1916 B9R1.8 FCSc1ccccc1 62a_100015361967_100000041952 [2,0,0,0,0,0|2,0,0]=4 1917 B9R1.8 [13CH3]NCc1ccccc1 2230a_100015324214_200025704644 [2,0,0,0,0,0|1,0,0]=3 1918 B9R1.8 [13CH3]NCc1ccccc1 34a_100015324214_200025704644 [2,0,0,0,0,0|1,0,0]=3 1919 B9R1.8 [13CH3]OCc1ccccc1 34a_100000210790_200025704644 [2,0,0,0,0,0|1,0,0]=3 1920 B9R1.8 [13CH3]OCc1ccccc1 7a_100000210790_200025704644 [2,0,0,0,0,0|1,0,0]=3 1921 B9R1.8 [13CH3]SCc1ccccc1 62a_100000211182_200025704644 [2,0,0,0,0,0|1,0,0]=3 1922 B9R1.8 [13CH3]SCc1ccccc1 62a_200025704644_100015291786 [2,0,0,0,0,0|1,0,0]=3 1923 B9R1.8 [13CH3]SCc1ccccn1 62a_100000721315_200025704644 [2,0,0,0,0,0|2,0,0]=4 1924 B9R1.8 [13CH3]SCc1ccccn1 62a_200025704644_100000721315 [2,0,0,0,0,0|2,0,0]=4 1925 B9R1.8 [13CH3]SCc1cccnc1 62a_100000741622_200025704644 [2,0,0,0,0,0|2,0,0]=4 1926 B9R1.8 [13CH3]SCc1cccnc1 62a_200025704644_100000741622 [2,0,0,0,0,0|2,0,0]=4 1927 B9R1.8 [13CH3]SCc1ccncc1 62a_100015193705_200025704644 [2,0,0,0,0,0|2,0,0]=4 1928 B9R1.8 [13CH3]SCc1ccncc1 62a_200025704644_100015193705 [2,0,0,0,0,0|2,0,0]=4 1929 B11R0.154 C/C=C/C=CC(=O)C[C@@H](C)CO 1458a_100000185730_100000059175 [0,1,1,0,0,0|2,0,0]=4 1930 B11R1.1 CCCCc1cc[n+](cc1)[O-] 271570a_100020621405_100000039755 [1,1,0,0,0,0|2,0,0]=4 1931 B11R1.1 CCCCc1ccc(=O)[nH]c1 271570a_100020621405_100000212171 [1,1,0,0,0,0|2,0,0]=4 1932 B11R1.1 CCCCc1ccc(cc1)Br 271570a_100020621405_100000752885 [1,1,0,0,0,0|1,0,0]=3 1933 B11R1.1 CCCCc1ccc(cc1)C 271570a_100020621405_100000186775 [1,1,0,0,0,0|1,0,0]=3 1934 B11R1.1 CCCCc1ccc(cc1)Cl 271570a_100020621405_100000755918 [1,1,0,0,0,0|1,0,0]=3 1935 B11R1.1 CCCCc1ccc(cc1)F 271570a_100020621405_100000211213 [1,1,0,0,0,0|1,0,0]=3 1936 B11R1.1 CCCCc1ccc(cc1)N 271570a_100020621405_100000185761 [1,1,0,0,0,0|1,0,0]=3 1937 B11R1.1 CCCCc1ccc(cc1)O 271570a_100020621405_100000185759 [1,1,0,0,0,0|1,0,0]=3 1938 B11R1.1 CCCCc1ccc(cc1)O 271570a_203496583355_100011215597 [1,1,0,0,0,0|1,0,0]=3 1939 B11R1.1 CCCCc1ccc(cn1)Br 271570a_100020621405_100000686858 [1,1,0,0,0,0|2,0,0]=4 1940 B11R1.1 CCCCc1ccc(cn1)C 271570a_100020621405_100000754016 [1,1,0,0,0,0|2,0,0]=4 1941 B11R1.1 CCCCc1ccc(cn1)Cl 271570a_100020621405_100011356976 [1,1,0,0,0,0|2,0,0]=4 1942 B11R1.1 CCCCc1ccc(cn1)F 271570a_100020621405_100000744514 [1,1,0,0,0,0|2,0,0]=4 1943 B11R1.1 CCCCc1ccc(cn1)N 271570a_100020621405_100000744251 [1,1,0,0,0,0|2,0,0]=4 1944 B11R1.1 CCCCc1ccc(cn1)O 271570a_100020621405_100000685995 [1,1,0,0,0,0|2,0,0]=4 1945 B11R1.1 CCCCc1ccc(nc1)Br 271570a_100020621405_100009814638 [1,1,0,0,0,0|2,0,0]=4 1946 B11R1.1 CCCCc1ccc(nc1)C 271570a_100020621405_100000751577 [1,1,0,0,0,0|2,0,0]=4 1947 B11R1.1 CCCCc1ccc(nc1)Cl 271570a_100020621405_100000034144 [1,1,0,0,0,0|2,0,0]=4 1948 B11R1.1 CCCCc1ccc(nc1)F 271570a_100020621405_100000748661 [1,1,0,0,0,0|2,0,0]=4 1949 B11R1.1 CCCCc1ccc(nc1)N 271570a_100020621405_100000187370 [1,1,0,0,0,0|2,0,0]=4 1950 B11R1.1 CCCNc1ccc(cc1)Br 2230a_100000210018_100000210303 [1,1,0,0,0,0|2,0,0]=4 1951 B11R1.1 CCCNc1ccc(cc1)Br 34a_100000210018_100000210303 [1,1,0,0,0,0|2,0,0]=4 1952 B11R1.1 CCCNc1ccc(cc1)C 34a_100000124888_100000210303 [1,1,0,0,0,0|2,0,0]=4 1953 B11R1.1 CCCNc1ccc(cc1)Cl 2230a_100000210052_100000210303 [1,1,0,0,0,0|2,0,0]=4 1954 B11R1.1 CCCNc1ccc(cc1)Cl 34a_100000210052_100000210303 [1,1,0,0,0,0|2,0,0]=4 1955 B11R1.1 CCCNc1ccc(cc1)F 34a_100000185862_100000210303 [1,1,0,0,0,0|2,0,0]=4 1956 B11R1.1 CCCNc1ccc(cc1)I 34a_100000185761_100000210303 [1,1,0,0,0,0|2,0,0]=4 1957 B11R1.1 CCCNc1ccc(cc1)O 34a_100000185829_100000210303 [1,1,0,0,0,0|2,0,0]=4 1958 B11R1.1 CCCOc1ccc(cc1)Br 34a_100000185759_100000210303 [1,1,0,0,0,0|2,0,0]=4 1959 B11R1.1 CCCOc1ccc(cc1)Br 7a_100000185759_100000210303 [1,1,0,0,0,0|2,0,0]=4 1960 B11R1.1 CCCOc1ccc(cc1)C 34a_100000210336_100000210303 [1,1,0,0,0,0|2,0,0]=4 1961 B11R1.1 CCCOc1ccc(cc1)C 7a_100000210336_100000210303 [1,1,0,0,0,0|2,0,0]=4 1962 B11R1.1 CCCOc1ccc(cc1)Cl 34a_100000210216_100000210303 [1,1,0,0,0,0|2,0,0]=4 1963 B11R1.1 CCCOc1ccc(cc1)Cl 7a_100000210216_100000210303 [1,1,0,0,0,0|2,0,0]=4 1964 B11R1.1 CCCOc1ccc(cc1)F 34a_100000210339_100000210303 [1,1,0,0,0,0|2,0,0]=4 1965 B11R1.1 CCCOc1ccc(cc1)I 34a_100000212066_100000210303 [1,1,0,0,0,0|2,0,0]=4 1966 B11R1.1 CCCOc1ccc(cc1)I 7a_100000212066_100000210303 [1,1,0,0,0,0|2,0,0]=4 1967 B11R1.1 CCCOc1ccc(cc1)N 34a_100000185829_100000210303 [1,1,0,0,0,0|2,0,0]=4 1968 B11R1.1 CCCOc1ccc(cc1)O 271570a_203496583355_100000169948 [1,1,0,0,0,0|2,0,0]=4 1969 B11R1.1 CCCSc1ccc(cc1)Br 62a_100000210303_100000752885 [1,1,0,0,0,0|2,0,0]=4 1970 B11R1.1 CCCSc1ccc(cc1)Br 62a_100000752885_100000210303 [1,1,0,0,0,0|2,0,0]=4 1971 B11R1.1 CCCSc1ccc(cc1)C 62a_100000186775_100000210303 [1,1,0,0,0,0|2,0,0]=4 1972 B11R1.1 CCCSc1ccc(cc1)C 62a_100000210303_100000186775 [1,1,0,0,0,0|2,0,0]=4 1973 B11R1.1 CCCSc1ccc(cc1)Cl 62a_100000210303_100000755918 [1,1,0,0,0,0|2,0,0]=4 1974 B11R1.1 CCCSc1ccc(cc1)Cl 62a_100000755918_100000210303 [1,1,0,0,0,0|2,0,0]=4 1975 B11R1.1 CCCSc1ccc(cc1)F 62a_100000210303_100000211213 [1,1,0,0,0,0|2,0,0]=4 1976 B11R1.1 CCCSc1ccc(cc1)F 62a_100000211213_100000210303 [1,1,0,0,0,0|2,0,0]=4 1977 B11R1.1 CCCSc1ccc(cc1)N 62a_100000185761_100000210303 [1,1,0,0,0,0|2,0,0]=4 1978 B11R1.1 CCCSc1ccc(cc1)N 62a_100000210303_100000185761 [1,1,0,0,0,0|2,0,0]=4 1979 B11R1.1 CCCSc1ccc(cc1)O 271570a_203496583355_200009811899 [1,1,0,0,0,0|2,0,0]=4 1980 B11R1.1 CCCSc1ccc(cc1)O 62a_100000210303_100000185759 [1,1,0,0,0,0|2,0,0]=4 1981 B11R1.1 CCNCc1ccc(cc1)Br 207a_100015525214_100000186029 [1,1,0,0,0,0|2,0,0]=4 1982 B11R1.1 CCNCc1ccc(cc1)Br 2230a_100000174875_100000210202 [1,1,0,0,0,0|2,0,0]=4 1983 B11R1.1 CCNCc1ccc(cc1)Br 2230a_100015525214_100011217064 [1,1,0,0,0,0|2,0,0]=4 1984 B11R1.1 CCNCc1ccc(cc1)Br 270004a_100015525214_100000186029 [1,1,0,0,0,0|2,0,0]=4 1985 B11R1.1 CCNCc1ccc(cc1)Br 34a_100000174875_100000210202 [1,1,0,0,0,0|2,0,0]=4 1986 B11R1.1 CCNCc1ccc(cc1)C 207a_100015525214_100000211033 [1,1,0,0,0,0|2,0,0]=4 1987 B11R1.1 CCNCc1ccc(cc1)C 2230a_100000174908_100000210202 [1,1,0,0,0,0|2,0,0]=4 1988 B11R1.1 CCNCc1ccc(cc1)C 2230a_100015525214_100000210814 [1,1,0,0,0,0|2,0,0]=4 1989 B11R1.1 CCNCc1ccc(cc1)C 270004a_100015525214_100000211033 [1,1,0,0,0,0|2,0,0]=4 1990 B11R1.1 CCNCc1ccc(cc1)C 34a_100000174908_100000210202 [1,1,0,0,0,0|2,0,0]=4 1991 B11R1.1 CCNCc1ccc(cc1)Cl 207a_100015525214_100000189385 [1,1,0,0,0,0|2,0,0]=4 1992 B11R1.1 CCNCc1ccc(cc1)Cl 2230a_100000174871_100000210202 [1,1,0,0,0,0|2,0,0]=4 1993 B11R1.1 CCNCc1ccc(cc1)Cl 2230a_100015525214_100000694040 [1,1,0,0,0,0|2,0,0]=4 1994 B11R1.1 CCNCc1ccc(cc1)Cl 270004a_100015525214_100000189385 [1,1,0,0,0,0|2,0,0]=4 1995 B11R1.1 CCNCc1ccc(cc1)Cl 34a_100000174871_100000210202 [1,1,0,0,0,0|2,0,0]=4 1996 B11R1.1 CCNCc1ccc(cc1)F 207a_100015525214_100000210084 [1,1,0,0,0,0|2,0,0]=4 1997 B11R1.1 CCNCc1ccc(cc1)F 2230a_100000174882_100000210202 [1,1,0,0,0,0|2,0,0]=4 1998 B11R1.1 CCNCc1ccc(cc1)F 2230a_100015525214_100000198546 [1,1,0,0,0,0|2,0,0]=4 1999 B11R1.1 CCNCc1ccc(cc1)F 270004a_100015525214_100000210084 [1,1,0,0,0,0|2,0,0]=4 2000 B11R1.1 CCNCc1ccc(cc1)F 34a_100000174882_100000210202 [1,1,0,0,0,0|2,0,0]=4 2001 B11R1.1 CCNCc1ccc(cc1)I 207a_100015525214_100000188517 [1,1,0,0,0,0|2,0,0]=4 2002 B11R1.1 CCNCc1ccc(cc1)I 2230a_100015525214_100000189116 [1,1,0,0,0,0|2,0,0]=4 2003 B11R1.1 CCNCc1ccc(cc1)I 2230a_100016989417_100000210202 [1,1,0,0,0,0|2,0,0]=4 2004 B11R1.1 CCNCc1ccc(cc1)I 34a_100016989417_100000210202 [1,1,0,0,0,0|2,0,0]=4 2005 B11R1.1 CCNCc1ccc(cc1)O 271570a_203496583355_100000187385 [1,1,0,0,0,0|2,0,0]=4 2006 B11R1.1 CCNCc1ccc(cc1)O 34a_100000185549_100000210202 [1,1,0,0,0,0|2,0,0]=4 2007 B11R1.1 CCOCc1ccc(cc1)Br 34a_100000695286_100000210202 [1,1,0,0,0,0|2,0,0]=4 2008 B11R1.1 CCOCc1ccc(cc1)Br 34a_100121572206_100000189115 [1,1,0,0,0,0|2,0,0]=4 2009 B11R1.1 CCOCc1ccc(cc1)C 34a_100011215236_100000210202 [1,1,0,0,0,0|2,0,0]=4 2010 B11R1.1 CCOCc1ccc(cc1)C 34a_100121572206_100000210814 [1,1,0,0,0,0|2,0,0]=4 2011 B11R1.1 CCOCc1ccc(cc1)C 7a_100011215236_100000210202 [1,1,0,0,0,0|2,0,0]=4 2012 B11R1.1 CCOCc1ccc(cc1)Cl 34a_100000211118_100000210202 [1,1,0,0,0,0|2,0,0]=4 2013 B11R1.1 CCOCc1ccc(cc1)Cl 34a_100121572206_100000694040 [1,1,0,0,0,0|2,0,0]=4 2014 B11R1.1 CCOCc1ccc(cc1)Cl 7a_100000211118_100000210202 [1,1,0,0,0,0|2,0,0]=4 2015 B11R1.1 CCOCc1ccc(cc1)F 34a_100000210977_100000210202 [1,1,0,0,0,0|2,0,0]=4 2016 B11R1.1 CCOCc1ccc(cc1)F 34a_100121572206_100000198546 [1,1,0,0,0,0|2,0,0]=4 2017 B11R1.1 CCOCc1ccc(cc1)F 7a_100000210977_100000210202 [1,1,0,0,0,0|2,0,0]=4 2018 B11R1.1 CCOCc1ccc(cc1)I 34a_100000690907_100000210202 [1,1,0,0,0,0|2,0,0]=4 2019 B11R1.1 CCOCc1ccc(cc1)I 34a_100121572206_100000189116 [1,1,0,0,0,0|2,0,0]=4 2020 B11R1.1 CCOCc1ccc(cc1)I 7a_100000690907_100000210202 [1,1,0,0,0,0|2,0,0]=4 2021 B11R1.1 CCOCc1ccc(cc1)N 34a_100011215238_100000210202 [1,1,0,0,0,0|2,0,0]=4 2022 B11R1.1 CCOCc1ccc(cc1)O 271570a_203496583355_100000758564 [1,1,0,0,0,0|2,0,0]=4 2023 B11R1.1 CCSCc1ccc(cc1)Br 62a_100000189115_100000210202 [1,1,0,0,0,0|2,0,0]=4 2024 B11R1.1 CCSCc1ccc(cc1)Br 62a_100000210202_100000189115 [1,1,0,0,0,0|2,0,0]=4 2025 B11R1.1 CCSCc1ccc(cc1)C 62a_100000210202_100000210814 [1,1,0,0,0,0|2,0,0]=4 2026 B11R1.1 CCSCc1ccc(cc1)C 62a_100000210814_100000210202 [1,1,0,0,0,0|2,0,0]=4 2027 B11R1.1 CCSCc1ccc(cc1)Cl 62a_100000187161_100000210202 [1,1,0,0,0,0|2,0,0]=4 2028 B11R1.1 CCSCc1ccc(cc1)Cl 62a_100000210202_100000187161 [1,1,0,0,0,0|2,0,0]=4 2029 B11R1.1 CCSCc1ccc(cc1)F 62a_100000198546_100000210202 [1,1,0,0,0,0|2,0,0]=4 2030 B11R1.1 CCSCc1ccc(cc1)F 62a_100000210202_100000187164 [1,1,0,0,0,0|2,0,0]=4 2031 B11R1.1 CCSCc1ccc(cc1)I 62a_100000189116_100000210202 [1,1,0,0,0,0|2,0,0]=4 2032 B11R1.1 CCSCc1ccc(cc1)I 62a_100000210202_100000189116 [1,1,0,0,0,0|2,0,0]=4 2033 B11R1.1 CNCCc1ccc(cc1)Br 2230a_100000755846_200000210301 [1,1,0,0,0,0|2,0,0]=4 2034 B11R1.1 CNCCc1ccc(cc1)Br 2230a_106832991635_100011740612 [1,1,0,0,0,0|2,0,0]=4 2035 B11R1.1 CNCCc1ccc(cc1)Br 34a_100000755846_200000210301 [1,1,0,0,0,0|2,0,0]=4 2036 B11R1.1 CNCCc1ccc(cc1)Br 34a_100102657272_100011740612 [1,1,0,0,0,0|2,0,0]=4 2037 B11R1.1 CNCCc1ccc(cc1)Br 7a_106832991635_100011740612 [1,1,0,0,0,0|2,0,0]=4 2038 B11R1.1 CNCCc1ccc(cc1)C 2230a_100000705350_200000210301 [1,1,0,0,0,0|2,0,0]=4 2039 B11R1.1 CNCCc1ccc(cc1)C 2230a_106832991635_100011713686 [1,1,0,0,0,0|2,0,0]=4 2040 B11R1.1 CNCCc1ccc(cc1)C 34a_100000705350_200000210301 [1,1,0,0,0,0|2,0,0]=4 2041 B11R1.1 CNCCc1ccc(cc1)C 34a_100102657272_100011713686 [1,1,0,0,0,0|2,0,0]=4 2042 B11R1.1 CNCCc1ccc(cc1)C 7a_106832991635_100011713686 [1,1,0,0,0,0|2,0,0]=4 2043 B11R1.1 CNCCc1ccc(cc1)Cl 2230a_100000185265_200000210301 [1,1,0,0,0,0|2,0,0]=4 2044 B11R1.1 CNCCc1ccc(cc1)Cl 2230a_106832991635_100011713675 [1,1,0,0,0,0|2,0,0]=4 2045 B11R1.1 CNCCc1ccc(cc1)Cl 34a_100000185265_200000210301 [1,1,0,0,0,0|2,0,0]=4 2046 B11R1.1 CNCCc1ccc(cc1)Cl 34a_100102657272_100011713675 [1,1,0,0,0,0|2,0,0]=4 2047 B11R1.1 CNCCc1ccc(cc1)Cl 7a_106832991635_100011713675 [1,1,0,0,0,0|2,0,0]=4 2048 B11R1.1 CNCCc1ccc(cc1)F 2230a_100000199005_200000210301 [1,1,0,0,0,0|2,0,0]=4 2049 B11R1.1 CNCCc1ccc(cc1)F 2230a_106832991635_100011217392 [1,1,0,0,0,0|2,0,0]=4 2050 B11R1.1 CNCCc1ccc(cc1)F 34a_100000199005_200000210301 [1,1,0,0,0,0|2,0,0]=4 2051 B11R1.1 CNCCc1ccc(cc1)F 34a_100102657272_100011217392 [1,1,0,0,0,0|2,0,0]=4 2052 B11R1.1 CNCCc1ccc(cc1)F 7a_106832991635_100011217392 [1,1,0,0,0,0|2,0,0]=4 2053 B11R1.1 CNCCc1ccc(cc1)O 2230a_106832991635_100009816426 [1,1,0,0,0,0|2,0,0]=4 2054 B11R1.1 CNCCc1ccc(cc1)O 271570a_203496583355_100000752880 [1,1,0,0,0,0|2,0,0]=4 2055 B11R1.1 CNCCc1ccc(cc1)O 34a_100000743037_200000210301 [1,1,0,0,0,0|2,0,0]=4 2056 B11R1.1 CNCCc1ccc(cc1)O 7a_106832991635_100009816426 [1,1,0,0,0,0|2,0,0]=4 2057 B11R1.1 COCCc1ccc(cc1)Br 34a_100000766406_200000210301 [1,1,0,0,0,0|2,0,0]=4 2058 B11R1.1 COCCc1ccc(cc1)Br 34a_100138415774_100011740612 [1,1,0,0,0,0|2,0,0]=4 2059 B11R1.1 COCCc1ccc(cc1)Br 7a_100000766406_200000210301 [1,1,0,0,0,0|2,0,0]=4 2060 B11R1.1 COCCc1ccc(cc1)C 34a_100000756670_200000210301 [1,1,0,0,0,0|2,0,0]=4 2061 B11R1.1 COCCc1ccc(cc1)C 34a_100138415774_100011713686 [1,1,0,0,0,0|2,0,0]=4 2062 B11R1.1 COCCc1ccc(cc1)C 7a_100000756670_200000210301 [1,1,0,0,0,0|2,0,0]=4 2063 B11R1.1 COCCc1ccc(cc1)Cl 34a_100011219627_200000210301 [1,1,0,0,0,0|2,0,0]=4 2064 B11R1.1 COCCc1ccc(cc1)Cl 34a_100138415774_100011713675 [1,1,0,0,0,0|2,0,0]=4 2065 B11R1.1 COCCc1ccc(cc1)Cl 7a_100011219627_200000210301 [1,1,0,0,0,0|2,0,0]=4 2066 B11R1.1 COCCc1ccc(cc1)F 34a_100000754732_200000210301 [1,1,0,0,0,0|2,0,0]=4 2067 B11R1.1 COCCc1ccc(cc1)F 34a_100138415774_100011217392 [1,1,0,0,0,0|2,0,0]=4 2068 B11R1.1 COCCc1ccc(cc1)F 7a_100000754732_200000210301 [1,1,0,0,0,0|2,0,0]=4 2069 B11R1.1 COCCc1ccc(cc1)I 34a_100012291149_200000210301 [1,1,0,0,0,0|2,0,0]=4 2070 B11R1.1 COCCc1ccc(cc1)I 7a_100012291149_200000210301 [1,1,0,0,0,0|2,0,0]=4 2071 B11R1.1 COCCc1ccc(cc1)N 34a_100011204434_200000210301 [1,1,0,0,0,0|2,0,0]=4 2072 B11R1.1 COCCc1ccc(cc1)O 271570a_203496583355_100000739703 [1,1,0,0,0,0|2,0,0]=4 2073 B11R1.1 CSCCc1ccc(cc1)Br 62a_100011740612_200000210301 [1,1,0,0,0,0|2,0,0]=4 2074 B11R1.1 CSCCc1ccc(cc1)Br 62a_200000210301_100011740612 [1,1,0,0,0,0|2,0,0]=4 2075 B11R1.1 CSCCc1ccc(cc1)C 62a_100011713686_200000210301 [1,1,0,0,0,0|2,0,0]=4 2076 B11R1.1 CSCCc1ccc(cc1)C 62a_200000210301_100011713686 [1,1,0,0,0,0|2,0,0]=4 2077 B11R1.1 CSCCc1ccc(cc1)Cl 62a_100011713675_200000210301 [1,1,0,0,0,0|2,0,0]=4 2078 B11R1.1 CSCCc1ccc(cc1)Cl 62a_200000210301_100011713675 [1,1,0,0,0,0|2,0,0]=4 2079 B11R1.1 CSCCc1ccc(cc1)F 62a_100011217392_200000210301 [1,1,0,0,0,0|2,0,0]=4 2080 B11R1.1 CSCCc1ccc(cc1)F 62a_200000210301_100011217392 [1,1,0,0,0,0|2,0,0]=4 2081 B11R1.1 CSCCc1ccc(cc1)O 62a_100009816426_200000210301 [1,1,0,0,0,0|2,0,0]=4 2082 B11R1.1 CSCCc1ccc(cc1)O 62a_200000210301_100009816426 [1,1,0,0,0,0|2,0,0]=4 2083 B11R1.1 Cc1ccc(cc1)CCN[13CH3] 2230a_100000705350_200025704644 [1,1,0,0,0,0|2,0,0]=4 2084 B11R1.1 Cc1ccc(cc1)CCN[13CH3] 34a_100000705350_200025704644 [1,1,0,0,0,0|2,0,0]=4 2085 B11R1.1 Cc1ccc(cc1)CCO[13CH3] 34a_100000756670_200025704644 [1,1,0,0,0,0|2,0,0]=4 2086 B11R1.1 Cc1ccc(cc1)CCO[13CH3] 7a_100000756670_200025704644 [1,1,0,0,0,0|2,0,0]=4 2087 B11R1.1 Cc1ccc(cc1)CCS[13CH3] 62a_100011713686_200025704644 [1,1,0,0,0,0|2,0,0]=4 2088 B11R1.1 Cc1ccc(cc1)CCS[13CH3] 62a_200025704644_100011713686 [1,1,0,0,0,0|2,0,0]=4 2089 B11R1.1 Cc1ccc(cc1)CNCF 34a_100000174908_100015361967 [1,1,0,0,0,0|2,0,0]=4 2090 B11R1.1 Cc1ccc(cc1)COCF 34a_100011215236_100015361967 [1,1,0,0,0,0|2,0,0]=4 2091 B11R1.1 Cc1ccc(cc1)COCF 7a_100011215236_100015361967 [1,1,0,0,0,0|2,0,0]=4 2092 B11R1.1 Cc1ccc(cc1)CSCF 62a_100000210814_100015361967 [1,1,0,0,0,0|2,0,0]=4 2093 B11R1.1 Cc1ccc(cc1)CSCF 62a_100015361967_100000210814 [1,1,0,0,0,0|2,0,0]=4 2094 B11R1.1 Cc1ccc(cc1)NCCF 34a_100000124888_100011217306 [1,1,0,0,0,0|2,0,0]=4 2095 B11R1.1 Cc1ccc(cc1)NCCO 34a_100000124888_100000211926 [1,1,0,0,0,0|1,0,0]=3 2096 B11R1.1 Cc1ccc(cc1)OCCF 34a_100000210336_100011217306 [1,1,0,0,0,0|2,0,0]=4 2097 B11R1.1 Cc1ccc(cc1)OCCF 7a_100000210336_100011217306 [1,1,0,0,0,0|2,0,0]=4 2098 B11R1.1 Cc1ccc(cc1)OCCO 34a_100000210336_100000211926 [1,1,0,0,0,0|1,0,0]=3 2099 B11R1.1 Cc1ccc(cc1)OCCO 7a_100000210336_100000211926 [1,1,0,0,0,0|1,0,0]=3 2100 B11R1.1 Cc1ccc(cc1)SCCF 62a_100000186775_100011217306 [1,1,0,0,0,0|2,0,0]=4 2101 B11R1.1 Cc1ccc(cc1)SCCF 62a_100011217306_100000186775 [1,1,0,0,0,0|2,0,0]=4 2102 B11R1.1 Cc1ccc(cc1)SCCO 62a_100000186775_100000211926 [1,1,0,0,0,0|1,0,0]=3 2103 B11R1.1 Cc1ccc(cc1)SCCO 62a_100000211926_100000186775 [1,1,0,0,0,0|1,0,0]=3 2104 B11R1.1 Cc1ccc(cn1)OCCO 34a_100000745506_100000211926 [1,1,0,0,0,0|2,0,0]=4 2105 B11R1.1 Cc1ccc(cn1)OCCO 7a_100000745506_100000211926 [1,1,0,0,0,0|2,0,0]=4 2106 B11R1.1 Cc1ccc(cn1)SCCO 62a_100000211926_100000751577 [1,1,0,0,0,0|2,0,0]=4 2107 B11R1.1 Cc1ccc(cn1)SCCO 62a_100000751577_100000211926 [1,1,0,0,0,0|2,0,0]=4 2108 B11R1.1 Cc1ccc(nc1)OCCO 34a_100000759353_100000211926 [1,1,0,0,0,0|2,0,0]=4 2109 B11R1.1 Cc1ccc(nc1)SCCO 62a_100000211926_100000754016 [1,1,0,0,0,0|2,0,0]=4 2110 B11R1.1 Cc1ccc(nc1)SCCO 62a_100011192072_100000211926 [1,1,0,0,0,0|2,0,0]=4 2111 B11R1.1 FCCNc1ccc(cc1)Br 2230a_100000210018_100011217306 [1,1,0,0,0,0|2,0,0]=4 2112 B11R1.1 FCCNc1ccc(cc1)Br 34a_100000210018_100011217306 [1,1,0,0,0,0|2,0,0]=4 2113 B11R1.1 FCCNc1ccc(cc1)Cl 2230a_100000210052_100011217306 [1,1,0,0,0,0|2,0,0]=4 2114 B11R1.1 FCCNc1ccc(cc1)Cl 34a_100000210052_100011217306 [1,1,0,0,0,0|2,0,0]=4 2115 B11R1.1 FCCNc1ccc(cc1)F 34a_100000185862_100011217306 [1,1,0,0,0,0|2,0,0]=4 2116 B11R1.1 FCCNc1ccc(cc1)I 34a_100000185761_100011217306 [1,1,0,0,0,0|2,0,0]=4 2117 B11R1.1 FCCOc1ccc(cc1)Br 34a_100000185759_100011217306 [1,1,0,0,0,0|2,0,0]=4 2118 B11R1.1 FCCOc1ccc(cc1)Br 7a_100000185759_100011217306 [1,1,0,0,0,0|2,0,0]=4 2119 B11R1.1 FCCOc1ccc(cc1)Cl 34a_100000210216_100011217306 [1,1,0,0,0,0|2,0,0]=4 2120 B11R1.1 FCCOc1ccc(cc1)Cl 7a_100000210216_100011217306 [1,1,0,0,0,0|2,0,0]=4 2121 B11R1.1 FCCOc1ccc(cc1)F 34a_100000210339_100011217306 [1,1,0,0,0,0|2,0,0]=4 2122 B11R1.1 FCCOc1ccc(cc1)I 34a_100000212066_100011217306 [1,1,0,0,0,0|2,0,0]=4 2123 B11R1.1 FCCOc1ccc(cc1)I 7a_100000212066_100011217306 [1,1,0,0,0,0|2,0,0]=4 2124 B11R1.1 FCCSc1ccc(cc1)Br 62a_100000752885_100011217306 [1,1,0,0,0,0|2,0,0]=4 2125 B11R1.1 FCCSc1ccc(cc1)Br 62a_100011217306_100000752885 [1,1,0,0,0,0|2,0,0]=4 2126 B11R1.1 FCCSc1ccc(cc1)Cl 62a_100000755918_100011217306 [1,1,0,0,0,0|2,0,0]=4 2127 B11R1.1 FCCSc1ccc(cc1)Cl 62a_100011217306_100000755918 [1,1,0,0,0,0|2,0,0]=4 2128 B11R1.1 FCCSc1ccc(cc1)F 62a_100000211213_100011217306 [1,1,0,0,0,0|2,0,0]=4 2129 B11R1.1 FCCSc1ccc(cc1)F 62a_100011217306_100000211213 [1,1,0,0,0,0|2,0,0]=4 2130 B11R1.1 FCNCc1ccc(cc1)Br 34a_100000174875_100015361967 [1,1,0,0,0,0|2,0,0]=4 2131 B11R1.1 FCNCc1ccc(cc1)Cl 34a_100000174871_100015361967 [1,1,0,0,0,0|2,0,0]=4 2132 B11R1.1 FCNCc1ccc(cc1)F 34a_100000174882_100015361967 [1,1,0,0,0,0|2,0,0]=4 2133 B11R1.1 FCNCc1ccc(cc1)I 34a_100016989417_100015361967 [1,1,0,0,0,0|2,0,0]=4 2134 B11R1.1 FCOCc1ccc(cc1)Br 34a_100000695286_100015361967 [1,1,0,0,0,0|2,0,0]=4 2135 B11R1.1 FCOCc1ccc(cc1)Cl 34a_100000211118_100015361967 [1,1,0,0,0,0|2,0,0]=4 2136 B11R1.1 FCOCc1ccc(cc1)Cl 7a_100000211118_100015361967 [1,1,0,0,0,0|2,0,0]=4 2137 B11R1.1 FCOCc1ccc(cc1)F 34a_100000210977_100015361967 [1,1,0,0,0,0|2,0,0]=4 2138 B11R1.1 FCOCc1ccc(cc1)F 7a_100000210977_100015361967 [1,1,0,0,0,0|2,0,0]=4 2139 B11R1.1 FCOCc1ccc(cc1)I 34a_100000690907_100015361967 [1,1,0,0,0,0|2,0,0]=4 2140 B11R1.1 FCOCc1ccc(cc1)I 7a_100000690907_100015361967 [1,1,0,0,0,0|2,0,0]=4 2141 B11R1.1 FCSCc1ccc(cc1)Br 62a_100000189115_100015361967 [1,1,0,0,0,0|2,0,0]=4 2142 B11R1.1 FCSCc1ccc(cc1)Br 62a_100015361967_100000189115 [1,1,0,0,0,0|2,0,0]=4 2143 B11R1.1 FCSCc1ccc(cc1)Cl 62a_100000187161_100015361967 [1,1,0,0,0,0|2,0,0]=4 2144 B11R1.1 FCSCc1ccc(cc1)Cl 62a_100015361967_100000187161 [1,1,0,0,0,0|2,0,0]=4 2145 B11R1.1 FCSCc1ccc(cc1)F 62a_100000198546_100015361967 [1,1,0,0,0,0|2,0,0]=4 2146 B11R1.1 FCSCc1ccc(cc1)F 62a_100015361967_100000187164 [1,1,0,0,0,0|2,0,0]=4 2147 B11R1.1 FCSCc1ccc(cc1)I 62a_100000189116_100015361967 [1,1,0,0,0,0|2,0,0]=4 2148 B11R1.1 FCSCc1ccc(cc1)I 62a_100015361967_100000189116 [1,1,0,0,0,0|2,0,0]=4 2149 B11R1.1 N#CCCc1ccc(cc1)O 271570a_203496583355_100011216407 [1,1,0,0,0,0|1,0,1]=4 2150 B11R1.1 NCCCc1ccc(cc1)O 271570a_203496583355_100011297623 [1,1,0,0,0,0|1,0,0]=3 2151 B11R1.1 NCCOc1ccc(cc1)O 271570a_203496583355_100000746992 [1,1,0,0,0,0|2,0,0]=4 2152 B11R1.1 NCCSc1ccc(cc1)O 271570a_203496583355_100000184645 [1,1,0,0,0,0|2,0,0]=4 2153 B11R1.1 Nc1ccc(cc1)COCF 34a_100011215238_100015361967 [1,1,0,0,0,0|2,0,0]=4 2154 B11R1.1 Nc1ccc(cc1)OCCF 34a_100000185829_100011217306 [1,1,0,0,0,0|2,0,0]=4 2155 B11R1.1 Nc1ccc(cc1)OCCO 34a_100000185829_100000211926 [1,1,0,0,0,0|1,0,0]=3 2156 B11R1.1 Nc1ccc(cc1)SCCF 62a_100000185761_100011217306 [1,1,0,0,0,0|2,0,0]=4 2157 B11R1.1 Nc1ccc(cc1)SCCF 62a_100011217306_100000185761 [1,1,0,0,0,0|2,0,0]=4 2158 B11R1.1 Nc1ccc(cc1)SCCO 62a_100000185761_100000211926 [1,1,0,0,0,0|1,0,0]=3 2159 B11R1.1 Nc1ccc(cc1)SCCO 62a_100000211926_100000185761 [1,1,0,0,0,0|1,0,0]=3 2160 B11R1.1 Nc1ccc(cn1)OCCO 34a_100015188713_100000211926 [1,1,0,0,0,0|2,0,0]=4 2161 B11R1.1 Nc1ccc(cn1)OCCO 7a_100015188713_100000211926 [1,1,0,0,0,0|2,0,0]=4 2162 B11R1.1 Nc1ccc(cn1)SCCO 62a_100000187370_100000211926 [1,1,0,0,0,0|2,0,0]=4 2163 B11R1.1 Nc1ccc(cn1)SCCO 62a_100000211926_100000187370 [1,1,0,0,0,0|2,0,0]=4 2164 B11R1.1 Nc1ccc(nc1)OCCO 34a_100000729260_100000211926 [1,1,0,0,0,0|2,0,0]=4 2165 B11R1.1 Nc1ccc(nc1)SCCO 62a_100000211926_100000737798 [1,1,0,0,0,0|2,0,0]=4 2166 B11R1.1 Nc1ccc(nc1)SCCO 62a_100000737798_100000211926 [1,1,0,0,0,0|2,0,0]=4 2167 B11R1.1 O=CCCc1ccc(cc1)O 271570a_203496583355_100011361538 [1,1,0,0,0,0|0,0,2]=4 2168 B11R1.1 O=c1ccc(c[nH]1)OCCO 34a_100000075641_100000211926 [1,1,0,0,0,0|2,0,0]=4 2169 B11R1.1 O=c1ccc(c[nH]1)SCCO 62a_100000211926_100000212171 [1,1,0,0,0,0|2,0,0]=4 2170 B11R1.1 O=c1ccc(c[nH]1)SCCO 62a_100000212171_100000211926 [1,1,0,0,0,0|2,0,0]=4 2171 B11R1.1 OCC#Cc1ccc(cc1)O 271570a_203496583355_100009814260 [1,1,0,0,0,0|0,0,2]=4 2172 B11R1.1 OCCCc1ccc(cc1)O 271570a_203496583355_100011709247 [1,1,0,0,0,0|0,0,0]=2 2173 B11R1.1 OCCNc1ccc(cc1)Br 2230a_100000210018_100000211926 [1,1,0,0,0,0|1,0,0]=3 2174 B11R1.1 OCCNc1ccc(cc1)Br 34a_100000210018_100000211926 [1,1,0,0,0,0|1,0,0]=3 2175 B11R1.1 OCCNc1ccc(cc1)Cl 2230a_100000210052_100000211926 [1,1,0,0,0,0|1,0,0]=3 2176 B11R1.1 OCCNc1ccc(cc1)Cl 34a_100000210052_100000211926 [1,1,0,0,0,0|1,0,0]=3 2177 B11R1.1 OCCNc1ccc(cc1)F 34a_100000185862_100000211926 [1,1,0,0,0,0|1,0,0]=3 2178 B11R1.1 OCCNc1ccc(cc1)I 34a_100000185761_100000211926 [1,1,0,0,0,0|1,0,0]=3 2179 B11R1.1 OCCNc1ccc(cc1)O 34a_100000185829_100000211926 [1,1,0,0,0,0|1,0,0]=3 2180 B11R1.1 OCCNc1ccc(cn1)Br 27a_100000210304_100000686858 [1,1,0,0,0,0|2,0,0]=4 2181 B11R1.1 OCCOc1ccc(cc1)Br 34a_100000185759_100000211926 [1,1,0,0,0,0|1,0,0]=3 2182 B11R1.1 OCCOc1ccc(cc1)Br 7a_100000185759_100000211926 [1,1,0,0,0,0|1,0,0]=3 2183 B11R1.1 OCCOc1ccc(cc1)Cl 34a_100000210216_100000211926 [1,1,0,0,0,0|1,0,0]=3 2184 B11R1.1 OCCOc1ccc(cc1)Cl 7a_100000210216_100000211926 [1,1,0,0,0,0|1,0,0]=3 2185 B11R1.1 OCCOc1ccc(cc1)F 34a_100000210339_100000211926 [1,1,0,0,0,0|1,0,0]=3 2186 B11R1.1 OCCOc1ccc(cc1)I 34a_100000212066_100000211926 [1,1,0,0,0,0|1,0,0]=3 2187 B11R1.1 OCCOc1ccc(cc1)I 7a_100000212066_100000211926 [1,1,0,0,0,0|1,0,0]=3 2188 B11R1.1 OCCOc1ccc(cc1)O 271570a_203496583355_100000686261 [1,1,0,0,0,0|1,0,0]=3 2189 B11R1.1 OCCOc1ccc(cn1)Cl 34a_100011215309_100000211926 [1,1,0,0,0,0|2,0,0]=4 2190 B11R1.1 OCCOc1ccc(cn1)F 34a_100000742473_100000211926 [1,1,0,0,0,0|2,0,0]=4 2191 B11R1.1 OCCOc1ccc(nc1)Br 34a_100000685995_100000211926 [1,1,0,0,0,0|2,0,0]=4 2192 B11R1.1 OCCOc1ccc(nc1)Br 7a_100000685995_100000211926 [1,1,0,0,0,0|2,0,0]=4 2193 B11R1.1 OCCOc1ccc(nc1)Cl 34a_100000744096_100000211926 [1,1,0,0,0,0|2,0,0]=4 2194 B11R1.1 OCCOc1ccc(nc1)Cl 7a_100000744096_100000211926 [1,1,0,0,0,0|2,0,0]=4 2195 B11R1.1 OCCOc1ccc(nc1)F 34a_100000688820_100000211926 [1,1,0,0,0,0|2,0,0]=4 2196 B11R1.1 OCCOc1ccc(nc1)F 7a_100000688820_100000211926 [1,1,0,0,0,0|2,0,0]=4 2197 B11R1.1 OCCOc1ccc(nc1)I 34a_100000687607_100000211926 [1,1,0,0,0,0|2,0,0]=4 2198 B11R1.1 OCCOc1ccc(nc1)I 7a_100000687607_100000211926 [1,1,0,0,0,0|2,0,0]=4 2199 B11R1.1 OCCOc1ccc(nc1)O 271570a_203496583355_200013150534 [1,1,0,0,0,0|2,0,0]=4 2200 B11R1.1 OCCSc1ccc(cc1)Br 62a_100000211926_100000752885 [1,1,0,0,0,0|1,0,0]=3 2201 B11R1.1 OCCSc1ccc(cc1)Br 62a_100000752885_100000211926 [1,1,0,0,0,0|1,0,0]=3 2202 B11R1.1 OCCSc1ccc(cc1)Cl 62a_100000211926_100000755918 [1,1,0,0,0,0|1,0,0]=3 2203 B11R1.1 OCCSc1ccc(cc1)Cl 62a_100000755918_100000211926 [1,1,0,0,0,0|1,0,0]=3 2204 B11R1.1 OCCSc1ccc(cc1)F 62a_100000211213_100000211926 [1,1,0,0,0,0|1,0,0]=3 2205 B11R1.1 OCCSc1ccc(cc1)F 62a_100000211926_100000211213 [1,1,0,0,0,0|1,0,0]=3 2206 B11R1.1 OCCSc1ccc(cc1)O 62a_100000211926_100000185759 [1,1,0,0,0,0|1,0,0]=3 2207 B11R1.1 OCCSc1ccc(cn1)Br 62a_100000211926_100000686858 [1,1,0,0,0,0|2,0,0]=4 2208 B11R1.1 OCCSc1ccc(cn1)Br 62a_100000686858_100000211926 [1,1,0,0,0,0|2,0,0]=4 2209 B11R1.1 OCCSc1ccc(cn1)Cl 62a_100000211926_100011356976 [1,1,0,0,0,0|2,0,0]=4 2210 B11R1.1 OCCSc1ccc(cn1)Cl 62a_100011356976_100000211926 [1,1,0,0,0,0|2,0,0]=4 2211 B11R1.1 OCCSc1ccc(cn1)F 62a_100000211926_100000744514 [1,1,0,0,0,0|2,0,0]=4 2212 B11R1.1 OCCSc1ccc(cn1)F 62a_100000744514_100000211926 [1,1,0,0,0,0|2,0,0]=4 2213 B11R1.1 OCCSc1ccc(cn1)O 62a_100000211926_100000744096 [1,1,0,0,0,0|2,0,0]=4 2214 B11R1.1 OCCSc1ccc(cn1)O 62a_100000685995_100000211926 [1,1,0,0,0,0|2,0,0]=4 2215 B11R1.1 OCCSc1ccc(nc1)Br 62a_100000211926_100009814638 [1,1,0,0,0,0|2,0,0]=4 2216 B11R1.1 OCCSc1ccc(nc1)Br 62a_100009814638_100000211926 [1,1,0,0,0,0|2,0,0]=4 2217 B11R1.1 OCCSc1ccc(nc1)Cl 62a_100000034144_100000211926 [1,1,0,0,0,0|2,0,0]=4 2218 B11R1.1 OCCSc1ccc(nc1)Cl 62a_100000211926_100000034144 [1,1,0,0,0,0|2,0,0]=4 2219 B11R1.1 OCCSc1ccc(nc1)F 62a_100000042367_100000211926 [1,1,0,0,0,0|2,0,0]=4 2220 B11R1.1 OCCSc1ccc(nc1)F 62a_100000211926_100000042367 [1,1,0,0,0,0|2,0,0]=4 2221 B11R1.1 Oc1ccc(cc1)CNCF 34a_100000185549_100015361967 [1,1,0,0,0,0|2,0,0]=4 2222 B11R1.1 Oc1ccc(cc1)NCCF 34a_100000185829_100011217306 [1,1,0,0,0,0|2,0,0]=4 2223 B11R1.1 Oc1ccc(cc1)OCCF 271570a_203496583355_100012347556 [1,1,0,0,0,0|2,0,0]=4 2224 B11R1.1 Oc1ccc(cc1)SCCF 62a_100011217306_100000185759 [1,1,0,0,0,0|2,0,0]=4 2225 B11R1.1 [13CH3]NCCc1ccc(cc1)Br 2230a_100000755846_200025704644 [1,1,0,0,0,0|2,0,0]=4 2226 B11R1.1 [13CH3]NCCc1ccc(cc1)Br 34a_100000755846_200025704644 [1,1,0,0,0,0|2,0,0]=4 2227 B11R1.1 [13CH3]NCCc1ccc(cc1)Cl 2230a_100000185265_200025704644 [1,1,0,0,0,0|2,0,0]=4 2228 B11R1.1 [13CH3]NCCc1ccc(cc1)Cl 34a_100000185265_200025704644 [1,1,0,0,0,0|2,0,0]=4 2229 B11R1.1 [13CH3]NCCc1ccc(cc1)F 2230a_100000199005_200025704644 [1,1,0,0,0,0|2,0,0]=4 2230 B11R1.1 [13CH3]NCCc1ccc(cc1)F 34a_100000199005_200025704644 [1,1,0,0,0,0|2,0,0]=4 2231 B11R1.1 [13CH3]NCCc1ccc(cc1)O 34a_100000743037_200025704644 [1,1,0,0,0,0|2,0,0]=4 2232 B11R1.1 [13CH3]OCCc1ccc(cc1)Br 34a_100000766406_200025704644 [1,1,0,0,0,0|2,0,0]=4 2233 B11R1.1 [13CH3]OCCc1ccc(cc1)Br 7a_100000766406_200025704644 [1,1,0,0,0,0|2,0,0]=4 2234 B11R1.1 [13CH3]OCCc1ccc(cc1)Cl 34a_100011219627_200025704644 [1,1,0,0,0,0|2,0,0]=4 2235 B11R1.1 [13CH3]OCCc1ccc(cc1)Cl 7a_100011219627_200025704644 [1,1,0,0,0,0|2,0,0]=4 2236 B11R1.1 [13CH3]OCCc1ccc(cc1)F 34a_100000754732_200025704644 [1,1,0,0,0,0|2,0,0]=4 2237 B11R1.1 [13CH3]OCCc1ccc(cc1)F 7a_100000754732_200025704644 [1,1,0,0,0,0|2,0,0]=4 2238 B11R1.1 [13CH3]OCCc1ccc(cc1)I 34a_100012291149_200025704644 [1,1,0,0,0,0|2,0,0]=4 2239 B11R1.1 [13CH3]OCCc1ccc(cc1)I 7a_100012291149_200025704644 [1,1,0,0,0,0|2,0,0]=4 2240 B11R1.1 [13CH3]OCCc1ccc(cc1)N 34a_100011204434_200025704644 [1,1,0,0,0,0|2,0,0]=4 2241 B11R1.1 [13CH3]SCCc1ccc(cc1)Br 62a_100011740612_200025704644 [1,1,0,0,0,0|2,0,0]=4 2242 B11R1.1 [13CH3]SCCc1ccc(cc1)Br 62a_200025704644_100011740612 [1,1,0,0,0,0|2,0,0]=4 2243 B11R1.1 [13CH3]SCCc1ccc(cc1)Cl 62a_100011713675_200025704644 [1,1,0,0,0,0|2,0,0]=4 2244 B11R1.1 [13CH3]SCCc1ccc(cc1)Cl 62a_200025704644_100011713675 [1,1,0,0,0,0|2,0,0]=4 2245 B11R1.1 [13CH3]SCCc1ccc(cc1)F 62a_100011217392_200025704644 [1,1,0,0,0,0|2,0,0]=4 2246 B11R1.1 [13CH3]SCCc1ccc(cc1)F 62a_200025704644_100011217392 [1,1,0,0,0,0|2,0,0]=4 2247 B11R1.1 [13CH3]SCCc1ccc(cc1)O 62a_100009816426_200025704644 [1,1,0,0,0,0|2,0,0]=4 2248 B11R1.1 [13CH3]SCCc1ccc(cc1)O 62a_200025704644_100009816426 [1,1,0,0,0,0|2,0,0]=4 2249 B11R1.1 [O-][n+]1ccc(cc1)SCCO 62a_100000211926_100000039755 [1,1,0,0,0,0|2,0,0]=4 2250 B11R1.16 CC(CN[13CH3])c1ccccc1 2230a_100000701038_200025704644 [1,1,0,0,0,0|2,0,0]=4 2251 B11R1.16 CC(CN[13CH3])c1ccccc1 34a_100000701038_200025704644 [1,1,0,0,0,0|2,0,0]=4 2252 B11R1.16 CC(CO[13CH3])c1ccccc1 34a_100011215166_200025704644 [1,1,0,0,0,0|2,0,0]=4 2253 B11R1.16 CC(CO[13CH3])c1ccccc1 7a_100011215166_200025704644 [1,1,0,0,0,0|2,0,0]=4 2254 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_100000756946_200025704644 [1,1,0,0,0,0|2,0,0]=4 2255 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_200025704644_100000756946 [1,1,0,0,0,0|2,0,0]=4 2256 B11R1.16 CC(SCF)c1ccccc1 62a_100000230085_100015361967 [1,1,0,0,0,0|2,0,0]=4 2257 B11R1.16 CC(SCF)c1ccccc1 62a_100015361967_100000230085 [1,1,0,0,0,0|2,0,0]=4 2258 B11R1.16 CCCC(=O)c1ccccc1 1458a_100000185807_100000210303 [1,1,0,0,0,0|1,0,1]=4 2259 B11R1.16 CCCN(C)c1ccccc1 2230a_100000210012_100000210303 [1,1,0,0,0,0|2,0,0]=4 2260 B11R1.16 CCCN(C)c1ccccc1 2230a_200011218496_200000210301 [1,1,0,0,0,0|2,0,0]=4 2261 B11R1.16 CCCN(C)c1ccccc1 269982a_100000210012_100000210303 [1,1,0,0,0,0|2,0,0]=4 2262 B11R1.16 CCCN(C)c1ccccc1 269982a_200011218496_200000210301 [1,1,0,0,0,0|2,0,0]=4 2263 B11R1.16 CCCN(C)c1ccccc1 34a_100000210012_100000210303 [1,1,0,0,0,0|2,0,0]=4 2264 B11R1.16 CCCN(C)c1ccccc1 34a_200011218496_200000210301 [1,1,0,0,0,0|2,0,0]=4 2265 B11R1.16 CCCN([13CH3])c1ccccc1 2230a_200011218496_200025704644 [1,1,0,0,0,0|2,0,0]=4 2266 B11R1.16 CCCN([13CH3])c1ccccc1 269982a_200011218496_200025704644 [1,1,0,0,0,0|2,0,0]=4 2267 B11R1.16 CCCN([13CH3])c1ccccc1 34a_200011218496_200025704644 [1,1,0,0,0,0|2,0,0]=4 2268 B11R1.16 CCNC(C)c1ccccc1 2230a_100015525214_100000230085 [1,1,0,0,0,0|2,0,0]=4 2269 B11R1.16 CCNC(C)c1ccccc1 269862a_100015525214_100000185851 [1,1,0,0,0,0|2,0,0]=4 2270 B11R1.16 CCN[C@H](C)c1ccccc1 2230a_100000751104_100000210202 [1,1,0,0,0,0|2,0,0]=4 2271 B11R1.16 CCOC(C)c1ccccc1 34a_100121572206_100000211855 [1,1,0,0,0,0|2,0,0]=4 2272 B11R1.16 CCO[C@H](C)c1ccccc1 34a_100000761318_100000210202 [1,1,0,0,0,0|2,0,0]=4 2273 B11R1.16 CCO[C@H](C)c1ccccc1 7a_100000761318_100000210202 [1,1,0,0,0,0|2,0,0]=4 2274 B11R1.16 CCSC(C)c1ccccc1 62a_100000210202_100000230085 [1,1,0,0,0,0|2,0,0]=4 2275 B11R1.16 CCSC(C)c1ccccc1 62a_100000230085_100000210202 [1,1,0,0,0,0|2,0,0]=4 2276 B11R1.16 CN(CCF)c1ccccc1 2230a_100000210012_100011217306 [1,1,0,0,0,0|2,0,0]=4 2277 B11R1.16 CN(CCF)c1ccccc1 269982a_100000210012_100011217306 [1,1,0,0,0,0|2,0,0]=4 2278 B11R1.16 CN(CCF)c1ccccc1 34a_100000210012_100011217306 [1,1,0,0,0,0|2,0,0]=4 2279 B11R1.16 CN(CCO)c1ccccc1 2230a_100000210012_100000211926 [1,1,0,0,0,0|1,0,0]=3 2280 B11R1.16 CN(CCO)c1ccccc1 2230a_100000211345_200000210301 [1,1,0,0,0,0|1,0,0]=3 2281 B11R1.16 CN(CCO)c1ccccc1 269982a_100000210012_100000211926 [1,1,0,0,0,0|1,0,0]=3 2282 B11R1.16 CN(CCO)c1ccccc1 269982a_100000211345_200000210301 [1,1,0,0,0,0|1,0,0]=3 2283 B11R1.16 CN(CCO)c1ccccc1 34a_100000210012_100000211926 [1,1,0,0,0,0|1,0,0]=3 2284 B11R1.16 CN(CCO)c1ccccc1 34a_100000211345_200000210301 [1,1,0,0,0,0|1,0,0]=3 2285 B11R1.16 CNCC(C)c1ccccc1 2230a_100000701038_200000210301 [1,1,0,0,0,0|2,0,0]=4 2286 B11R1.16 CNCC(C)c1ccccc1 2230a_106832991635_100000756946 [1,1,0,0,0,0|2,0,0]=4 2287 B11R1.16 CNCC(C)c1ccccc1 270004a_106832991635_100000212034 [1,1,0,0,0,0|2,0,0]=4 2288 B11R1.16 CNCC(C)c1ccccc1 34a_100000701038_200000210301 [1,1,0,0,0,0|2,0,0]=4 2289 B11R1.16 CNCC(C)c1ccccc1 34a_100102657272_100000756946 [1,1,0,0,0,0|2,0,0]=4 2290 B11R1.16 CNCC(C)c1ccccc1 7a_106832991635_100000756946 [1,1,0,0,0,0|2,0,0]=4 2291 B11R1.16 CNCC(O)c1ccccc1 2230a_100000210709_200000210301 [1,1,0,0,0,0|2,0,0]=4 2292 B11R1.16 CNCC(O)c1ccccc1 2230a_106832991635_100000185958 [1,1,0,0,0,0|2,0,0]=4 2293 B11R1.16 CNCC(O)c1ccccc1 34a_100102657272_100000185958 [1,1,0,0,0,0|2,0,0]=4 2294 B11R1.16 CNCC(O)c1ccccc1 7a_106832991635_100000185958 [1,1,0,0,0,0|2,0,0]=4 2295 B11R1.16 CNC[C@@H](O)c1ccccc1 2230a_106832991635_100011933945 [1,1,0,0,0,0|2,0,0]=4 2296 B11R1.16 CNC[C@@H](O)c1ccccc1 34a_100102657272_100011933945 [1,1,0,0,0,0|2,0,0]=4 2297 B11R1.16 CNC[C@@H](O)c1ccccc1 7a_106832991635_100011933945 [1,1,0,0,0,0|2,0,0]=4 2298 B11R1.16 COCC(C)c1ccccc1 34a_100011215166_200000210301 [1,1,0,0,0,0|2,0,0]=4 2299 B11R1.16 COCC(C)c1ccccc1 34a_100138415774_100000756946 [1,1,0,0,0,0|2,0,0]=4 2300 B11R1.16 COCC(C)c1ccccc1 7a_100011215166_200000210301 [1,1,0,0,0,0|2,0,0]=4 2301 B11R1.16 COCC(O)c1ccccc1 34a_100138415774_100000185958 [1,1,0,0,0,0|2,0,0]=4 2302 B11R1.16 COC[C@@H](N)c1ccccc1 34a_100000751927_200000210301 [1,1,0,0,0,0|2,0,0]=4 2303 B11R1.16 COC[C@@H](O)c1ccccc1 34a_100138415774_100011933945 [1,1,0,0,0,0|2,0,0]=4 2304 B11R1.16 CSCC(C)c1ccccc1 62a_100000756946_200000210301 [1,1,0,0,0,0|2,0,0]=4 2305 B11R1.16 CSCC(C)c1ccccc1 62a_200000210301_100000756946 [1,1,0,0,0,0|2,0,0]=4 2306 B11R1.16 CSCC(O)c1ccccc1 62a_100000185958_200000210301 [1,1,0,0,0,0|2,0,0]=4 2307 B11R1.16 CSCC(O)c1ccccc1 62a_200000210301_100000185958 [1,1,0,0,0,0|2,0,0]=4 2308 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_100011933945_200000210301 [1,1,0,0,0,0|2,0,0]=4 2309 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_200000210301_100011933945 [1,1,0,0,0,0|2,0,0]=4 2310 B11R1.16 C[C@@H](OCF)c1ccccc1 34a_100000761318_100015361967 [1,1,0,0,0,0|2,0,0]=4 2311 B11R1.16 C[C@@H](OCF)c1ccccc1 7a_100000761318_100015361967 [1,1,0,0,0,0|2,0,0]=4 2312 B11R1.16 O=C(CCF)c1ccccc1 1458a_100000185807_100011217306 [1,1,0,0,0,0|1,0,1]=4 2313 B11R1.16 O=C(CCO)c1ccccc1 1458a_100000185807_100000211926 [1,1,0,0,0,0|0,0,1]=3 2314 B11R1.16 [13CH3]N(CCO)c1ccccc1 2230a_100000211345_200025704644 [1,1,0,0,0,0|1,0,0]=3 2315 B11R1.16 [13CH3]N(CCO)c1ccccc1 269982a_100000211345_200025704644 [1,1,0,0,0,0|1,0,0]=3 2316 B11R1.16 [13CH3]N(CCO)c1ccccc1 34a_100000211345_200025704644 [1,1,0,0,0,0|1,0,0]=3 2317 B11R1.16 [13CH3]NCC(O)c1ccccc1 2230a_100000210709_200025704644 [1,1,0,0,0,0|2,0,0]=4 2318 B11R1.16 [13CH3]OC[C@@H](N)c1ccccc1 34a_100000751927_200025704644 [1,1,0,0,0,0|2,0,0]=4 2319 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_100000185958_200025704644 [1,1,0,0,0,0|2,0,0]=4 2320 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_200025704644_100000185958 [1,1,0,0,0,0|2,0,0]=4 2321 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_100011933945_200025704644 [1,1,0,0,0,0|2,0,0]=4 2322 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_200025704644_100011933945 [1,1,0,0,0,0|2,0,0]=4 2323 B11R1.17 CCCCc1c[nH]ccc1=O 271570a_100020621405_100009998708 [1,1,0,0,0,0|2,0,0]=4 2324 B11R1.17 CCCCc1c[nH]ccc1=S 271570a_100020621405_200012280681 [1,1,0,0,0,0|2,0,0]=4 2325 B11R1.17 CCCCc1ccc[nH]c1=O 271570a_100020621405_100000050042 [1,1,0,0,0,0|2,0,0]=4 2326 B11R1.17 CCCCc1cccc[n+]1C 271570a_100020621405_100000212160 [1,1,0,0,0,0|2,0,0]=4 2327 B11R1.17 CCCCc1cccc[n+]1[O-] 271570a_100020621405_200000042595 [1,1,0,0,0,0|2,0,0]=4 2328 B11R1.17 CCCCc1ccccc1Br 271570a_100020621405_100000695589 [1,1,0,0,0,0|1,0,0]=3 2329 B11R1.17 CCCCc1ccccc1C 271570a_100020621405_100000210755 [1,1,0,0,0,0|1,0,0]=3 2330 B11R1.17 CCCCc1ccccc1Cl 271570a_100020621405_100000764095 [1,1,0,0,0,0|1,0,0]=3 2331 B11R1.17 CCCCc1ccccc1F 271570a_100020621405_100011215700 [1,1,0,0,0,0|1,0,0]=3 2332 B11R1.17 CCCCc1ccccc1N 271570a_100020621405_100000210017 [1,1,0,0,0,0|1,0,0]=3 2333 B11R1.17 CCCCc1ccccc1O 271570a_100020621405_100000739446 [1,1,0,0,0,0|1,0,0]=3 2334 B11R1.17 CCCCc1cccnc1Br 271570a_100020621405_100010202626 [1,1,0,0,0,0|2,0,0]=4 2335 B11R1.17 CCCCc1cccnc1C 271570a_100020621405_100000751574 [1,1,0,0,0,0|2,0,0]=4 2336 B11R1.17 CCCCc1cccnc1Cl 271570a_100020621405_100000036424 [1,1,0,0,0,0|2,0,0]=4 2337 B11R1.17 CCCCc1cccnc1F 271570a_100020621405_100009816115 [1,1,0,0,0,0|2,0,0]=4 2338 B11R1.17 CCCCc1cccnc1N 271570a_100020621405_100000045569 [1,1,0,0,0,0|2,0,0]=4 2339 B11R1.17 CCCCc1ccncc1Br 271570a_100020621405_100000726257 [1,1,0,0,0,0|2,0,0]=4 2340 B11R1.17 CCCCc1ccncc1C 271570a_100020621405_100015191297 [1,1,0,0,0,0|2,0,0]=4 2341 B11R1.17 CCCCc1ccncc1Cl 271570a_100020621405_100000708259 [1,1,0,0,0,0|2,0,0]=4 2342 B11R1.17 CCCCc1ccncc1F 271570a_100020621405_100000047030 [1,1,0,0,0,0|2,0,0]=4 2343 B11R1.17 CCCCc1ccncc1N 271570a_100020621405_100009815883 [1,1,0,0,0,0|2,0,0]=4 2344 B11R1.17 CCCCc1ccncc1O 271570a_100020621405_100009817591 [1,1,0,0,0,0|2,0,0]=4 2345 B11R1.17 CCCCc1cnccc1Br 271570a_100020621405_100010138639 [1,1,0,0,0,0|2,0,0]=4 2346 B11R1.17 CCCCc1cnccc1C 271570a_100020621405_100000761580 [1,1,0,0,0,0|2,0,0]=4 2347 B11R1.17 CCCCc1cnccc1Cl 271570a_100020621405_100009995489 [1,1,0,0,0,0|2,0,0]=4 2348 B11R1.17 CCCCc1cnccc1F 271570a_100020621405_100009820683 [1,1,0,0,0,0|2,0,0]=4 2349 B11R1.17 CCCCc1cnccc1N 271570a_100020621405_100000047001 [1,1,0,0,0,0|2,0,0]=4 2350 B11R1.17 CCCCc1ncccc1Br 271570a_100020621405_100000696092 [1,1,0,0,0,0|2,0,0]=4 2351 B11R1.17 CCCCc1ncccc1C 271570a_100020621405_100000751373 [1,1,0,0,0,0|2,0,0]=4 2352 B11R1.17 CCCCc1ncccc1Cl 271570a_100020621405_100011356963 [1,1,0,0,0,0|2,0,0]=4 2353 B11R1.17 CCCCc1ncccc1F 271570a_100020621405_100000685392 [1,1,0,0,0,0|2,0,0]=4 2354 B11R1.17 CCCCc1ncccc1N 271570a_100020621405_100000688686 [1,1,0,0,0,0|2,0,0]=4 2355 B11R1.17 CCCCc1ncccc1O 271570a_100020621405_100000034122 [1,1,0,0,0,0|2,0,0]=4 2356 B11R1.17 CCCNc1ccccc1Br 34a_100000210017_100000210303 [1,1,0,0,0,0|2,0,0]=4 2357 B11R1.17 CCCNc1ccccc1C 34a_100015192222_100000210303 [1,1,0,0,0,0|2,0,0]=4 2358 B11R1.17 CCCNc1ccccc1Cl 34a_100000185783_100000210303 [1,1,0,0,0,0|2,0,0]=4 2359 B11R1.17 CCCNc1ccccc1F 34a_100000210422_100000210303 [1,1,0,0,0,0|2,0,0]=4 2360 B11R1.17 CCCNc1ccccc1I 34a_100000210053_100000210303 [1,1,0,0,0,0|2,0,0]=4 2361 B11R1.17 CCCNc1ccccc1O 34a_100000185747_100000210303 [1,1,0,0,0,0|2,0,0]=4 2362 B11R1.17 CCCOc1ccccc1Br 34a_100000181306_100000210303 [1,1,0,0,0,0|2,0,0]=4 2363 B11R1.17 CCCOc1ccccc1Br 7a_100000181306_100000210303 [1,1,0,0,0,0|2,0,0]=4 2364 B11R1.17 CCCOc1ccccc1C 34a_100000210338_100000210303 [1,1,0,0,0,0|2,0,0]=4 2365 B11R1.17 CCCOc1ccccc1C 7a_100000210338_100000210303 [1,1,0,0,0,0|2,0,0]=4 2366 B11R1.17 CCCOc1ccccc1Cl 34a_100000210172_100000210303 [1,1,0,0,0,0|2,0,0]=4 2367 B11R1.17 CCCOc1ccccc1Cl 7a_100000210172_100000210303 [1,1,0,0,0,0|2,0,0]=4 2368 B11R1.17 CCCOc1ccccc1F 34a_100000210171_100000210303 [1,1,0,0,0,0|2,0,0]=4 2369 B11R1.17 CCCOc1ccccc1F 7a_100000210171_100000210303 [1,1,0,0,0,0|2,0,0]=4 2370 B11R1.17 CCCOc1ccccc1I 34a_100000739446_100000210303 [1,1,0,0,0,0|2,0,0]=4 2371 B11R1.17 CCCOc1ccccc1I 7a_100000739446_100000210303 [1,1,0,0,0,0|2,0,0]=4 2372 B11R1.17 CCCOc1ccccc1N 34a_100000185747_100000210303 [1,1,0,0,0,0|2,0,0]=4 2373 B11R1.17 CCCOc1ccccc1N 7a_100000185747_100000210303 [1,1,0,0,0,0|2,0,0]=4 2374 B11R1.17 CCCOc1ccccc1O 271570a_203496583355_100000174042 [1,1,0,0,0,0|2,0,0]=4 2375 B11R1.17 CCCSc1ccccc1Br 62a_100000210303_100000695589 [1,1,0,0,0,0|2,0,0]=4 2376 B11R1.17 CCCSc1ccccc1Br 62a_100000695589_100000210303 [1,1,0,0,0,0|2,0,0]=4 2377 B11R1.17 CCCSc1ccccc1C 62a_100000210303_100000210755 [1,1,0,0,0,0|2,0,0]=4 2378 B11R1.17 CCCSc1ccccc1C 62a_100000210755_100000210303 [1,1,0,0,0,0|2,0,0]=4 2379 B11R1.17 CCCSc1ccccc1Cl 62a_100000210303_100000764095 [1,1,0,0,0,0|2,0,0]=4 2380 B11R1.17 CCCSc1ccccc1Cl 62a_100000764095_100000210303 [1,1,0,0,0,0|2,0,0]=4 2381 B11R1.17 CCCSc1ccccc1F 62a_100000210303_100011215700 [1,1,0,0,0,0|2,0,0]=4 2382 B11R1.17 CCCSc1ccccc1F 62a_100011215700_100000210303 [1,1,0,0,0,0|2,0,0]=4 2383 B11R1.17 CCCSc1ccccc1N 62a_100000210017_100000210303 [1,1,0,0,0,0|2,0,0]=4 2384 B11R1.17 CCCSc1ccccc1N 62a_100000210303_100000210017 [1,1,0,0,0,0|2,0,0]=4 2385 B11R1.17 CCCSc1ccccc1O 62a_100000210303_100000739446 [1,1,0,0,0,0|2,0,0]=4 2386 B11R1.17 CCCSc1ccccc1O 62a_100000739446_100000210303 [1,1,0,0,0,0|2,0,0]=4 2387 B11R1.17 CCNCc1ccccc1Br 207a_100015525214_100000211189 [1,1,0,0,0,0|2,0,0]=4 2388 B11R1.17 CCNCc1ccccc1Br 2230a_100000689332_100000210202 [1,1,0,0,0,0|2,0,0]=4 2389 B11R1.17 CCNCc1ccccc1Br 2230a_100015525214_100000184730 [1,1,0,0,0,0|2,0,0]=4 2390 B11R1.17 CCNCc1ccccc1Br 270004a_100015525214_100000211189 [1,1,0,0,0,0|2,0,0]=4 2391 B11R1.17 CCNCc1ccccc1Br 34a_100000689332_100000210202 [1,1,0,0,0,0|2,0,0]=4 2392 B11R1.17 CCNCc1ccccc1C 207a_100015525214_100000211143 [1,1,0,0,0,0|2,0,0]=4 2393 B11R1.17 CCNCc1ccccc1C 2230a_100015525214_100000211839 [1,1,0,0,0,0|2,0,0]=4 2394 B11R1.17 CCNCc1ccccc1C 270004a_100015525214_100000211143 [1,1,0,0,0,0|2,0,0]=4 2395 B11R1.17 CCNCc1ccccc1C 34a_100000174972_100000210202 [1,1,0,0,0,0|2,0,0]=4 2396 B11R1.17 CCNCc1ccccc1Cl 207a_100015525214_100000210073 [1,1,0,0,0,0|2,0,0]=4 2397 B11R1.17 CCNCc1ccccc1Cl 2230a_100000174879_100000210202 [1,1,0,0,0,0|2,0,0]=4 2398 B11R1.17 CCNCc1ccccc1Cl 2230a_100015525214_100000187162 [1,1,0,0,0,0|2,0,0]=4 2399 B11R1.17 CCNCc1ccccc1Cl 270004a_100015525214_100000210073 [1,1,0,0,0,0|2,0,0]=4 2400 B11R1.17 CCNCc1ccccc1Cl 34a_100000174879_100000210202 [1,1,0,0,0,0|2,0,0]=4 2401 B11R1.17 CCNCc1ccccc1F 207a_100015525214_100000210811 [1,1,0,0,0,0|2,0,0]=4 2402 B11R1.17 CCNCc1ccccc1F 2230a_100015525214_100000211605 [1,1,0,0,0,0|2,0,0]=4 2403 B11R1.17 CCNCc1ccccc1F 270004a_100015525214_100000210811 [1,1,0,0,0,0|2,0,0]=4 2404 B11R1.17 CCNCc1ccccc1F 34a_100000174869_100000210202 [1,1,0,0,0,0|2,0,0]=4 2405 B11R1.17 CCNCc1ccccc1I 207a_100015525214_100000010305 [1,1,0,0,0,0|2,0,0]=4 2406 B11R1.17 CCNCc1ccccc1I 2230a_100015525214_100011215278 [1,1,0,0,0,0|2,0,0]=4 2407 B11R1.17 CCNCc1ccccc1I 270004a_100015525214_100000010305 [1,1,0,0,0,0|2,0,0]=4 2408 B11R1.17 CCNCc1ccccc1O 34a_100000185550_100000210202 [1,1,0,0,0,0|2,0,0]=4 2409 B11R1.17 CCOCc1ccccc1Br 34a_100000756307_100000210202 [1,1,0,0,0,0|2,0,0]=4 2410 B11R1.17 CCOCc1ccccc1Br 34a_100121572206_100000184730 [1,1,0,0,0,0|2,0,0]=4 2411 B11R1.17 CCOCc1ccccc1Br 7a_100000756307_100000210202 [1,1,0,0,0,0|2,0,0]=4 2412 B11R1.17 CCOCc1ccccc1C 34a_100000698903_100000210202 [1,1,0,0,0,0|2,0,0]=4 2413 B11R1.17 CCOCc1ccccc1C 34a_100121572206_100000211839 [1,1,0,0,0,0|2,0,0]=4 2414 B11R1.17 CCOCc1ccccc1C 7a_100000698903_100000210202 [1,1,0,0,0,0|2,0,0]=4 2415 B11R1.17 CCOCc1ccccc1Cl 34a_100000210847_100000210202 [1,1,0,0,0,0|2,0,0]=4 2416 B11R1.17 CCOCc1ccccc1Cl 34a_100121572206_100000187162 [1,1,0,0,0,0|2,0,0]=4 2417 B11R1.17 CCOCc1ccccc1Cl 7a_100000210847_100000210202 [1,1,0,0,0,0|2,0,0]=4 2418 B11R1.17 CCOCc1ccccc1F 34a_100000211962_100000210202 [1,1,0,0,0,0|2,0,0]=4 2419 B11R1.17 CCOCc1ccccc1F 34a_100121572206_100000211605 [1,1,0,0,0,0|2,0,0]=4 2420 B11R1.17 CCOCc1ccccc1F 7a_100000211962_100000210202 [1,1,0,0,0,0|2,0,0]=4 2421 B11R1.17 CCOCc1ccccc1I 34a_100000187465_100000210202 [1,1,0,0,0,0|2,0,0]=4 2422 B11R1.17 CCOCc1ccccc1I 34a_100121572206_100011215278 [1,1,0,0,0,0|2,0,0]=4 2423 B11R1.17 CCOCc1ccccc1I 7a_100000187465_100000210202 [1,1,0,0,0,0|2,0,0]=4 2424 B11R1.17 CCOCc1ccccc1N 34a_100000212039_100000210202 [1,1,0,0,0,0|2,0,0]=4 2425 B11R1.17 CCOCc1ccccc1O 271570a_203496583355_200011493690 [1,1,0,0,0,0|2,0,0]=4 2426 B11R1.17 CCSCc1ccccc1Br 62a_100000184730_100000210202 [1,1,0,0,0,0|2,0,0]=4 2427 B11R1.17 CCSCc1ccccc1Br 62a_100000210202_100000184730 [1,1,0,0,0,0|2,0,0]=4 2428 B11R1.17 CCSCc1ccccc1C 62a_100000210202_100000211839 [1,1,0,0,0,0|2,0,0]=4 2429 B11R1.17 CCSCc1ccccc1C 62a_100000211839_100000210202 [1,1,0,0,0,0|2,0,0]=4 2430 B11R1.17 CCSCc1ccccc1Cl 62a_100000187162_100000210202 [1,1,0,0,0,0|2,0,0]=4 2431 B11R1.17 CCSCc1ccccc1Cl 62a_100000210202_100000187162 [1,1,0,0,0,0|2,0,0]=4 2432 B11R1.17 CCSCc1ccccc1F 62a_100000210202_100000211605 [1,1,0,0,0,0|2,0,0]=4 2433 B11R1.17 CCSCc1ccccc1F 62a_100000211605_100000210202 [1,1,0,0,0,0|2,0,0]=4 2434 B11R1.17 CCSCc1ccccc1I 62a_100000210202_100011216222 [1,1,0,0,0,0|2,0,0]=4 2435 B11R1.17 CCSCc1ccccc1I 62a_100011216222_100000210202 [1,1,0,0,0,0|2,0,0]=4 2436 B11R1.17 CCSCc1ccccc1O 271570a_203496583355_200000173030 [1,1,0,0,0,0|2,0,0]=4 2437 B11R1.17 CNCCc1ccccc1Br 2230a_100000747383_200000210301 [1,1,0,0,0,0|2,0,0]=4 2438 B11R1.17 CNCCc1ccccc1Br 2230a_106832991635_100012161201 [1,1,0,0,0,0|2,0,0]=4 2439 B11R1.17 CNCCc1ccccc1Br 34a_100000747383_200000210301 [1,1,0,0,0,0|2,0,0]=4 2440 B11R1.17 CNCCc1ccccc1Br 34a_100102657272_100012161201 [1,1,0,0,0,0|2,0,0]=4 2441 B11R1.17 CNCCc1ccccc1Br 7a_106832991635_100012161201 [1,1,0,0,0,0|2,0,0]=4 2442 B11R1.17 CNCCc1ccccc1C 2230a_100000685071_200000210301 [1,1,0,0,0,0|2,0,0]=4 2443 B11R1.17 CNCCc1ccccc1C 2230a_106832991635_100011713688 [1,1,0,0,0,0|2,0,0]=4 2444 B11R1.17 CNCCc1ccccc1C 34a_100000685071_200000210301 [1,1,0,0,0,0|2,0,0]=4 2445 B11R1.17 CNCCc1ccccc1C 34a_100102657272_100011713688 [1,1,0,0,0,0|2,0,0]=4 2446 B11R1.17 CNCCc1ccccc1C 7a_106832991635_100011713688 [1,1,0,0,0,0|2,0,0]=4 2447 B11R1.17 CNCCc1ccccc1Cl 2230a_100011207228_200000210301 [1,1,0,0,0,0|2,0,0]=4 2448 B11R1.17 CNCCc1ccccc1Cl 2230a_106832991635_100011713703 [1,1,0,0,0,0|2,0,0]=4 2449 B11R1.17 CNCCc1ccccc1Cl 270004a_106832991635_200011713468 [1,1,0,0,0,0|2,0,0]=4 2450 B11R1.17 CNCCc1ccccc1Cl 34a_100011207228_200000210301 [1,1,0,0,0,0|2,0,0]=4 2451 B11R1.17 CNCCc1ccccc1Cl 34a_100102657272_100011713703 [1,1,0,0,0,0|2,0,0]=4 2452 B11R1.17 CNCCc1ccccc1Cl 7a_106832991635_100011713703 [1,1,0,0,0,0|2,0,0]=4 2453 B11R1.17 CNCCc1ccccc1F 2230a_100000185272_200000210301 [1,1,0,0,0,0|2,0,0]=4 2454 B11R1.17 CNCCc1ccccc1F 2230a_106832991635_100011713696 [1,1,0,0,0,0|2,0,0]=4 2455 B11R1.17 CNCCc1ccccc1F 34a_100000185272_200000210301 [1,1,0,0,0,0|2,0,0]=4 2456 B11R1.17 CNCCc1ccccc1F 34a_100102657272_100000720011 [1,1,0,0,0,0|2,0,0]=4 2457 B11R1.17 CNCCc1ccccc1F 7a_106832991635_100000720011 [1,1,0,0,0,0|2,0,0]=4 2458 B11R1.17 CNCCc1ccccc1O 34a_100011207237_200000210301 [1,1,0,0,0,0|2,0,0]=4 2459 B11R1.17 CNCCc1ccccc1O 34a_100102657272_100000722297 [1,1,0,0,0,0|2,0,0]=4 2460 B11R1.17 CNCCc1ccccc1O 7a_106832991635_100000722297 [1,1,0,0,0,0|2,0,0]=4 2461 B11R1.17 COCCc1ccccc1Br 34a_100000731337_200000210301 [1,1,0,0,0,0|2,0,0]=4 2462 B11R1.17 COCCc1ccccc1Br 34a_100138415774_100012161201 [1,1,0,0,0,0|2,0,0]=4 2463 B11R1.17 COCCc1ccccc1Br 7a_100000731337_200000210301 [1,1,0,0,0,0|2,0,0]=4 2464 B11R1.17 COCCc1ccccc1C 34a_100011220023_200000210301 [1,1,0,0,0,0|2,0,0]=4 2465 B11R1.17 COCCc1ccccc1C 34a_100138415774_100011713688 [1,1,0,0,0,0|2,0,0]=4 2466 B11R1.17 COCCc1ccccc1C 7a_100011220023_200000210301 [1,1,0,0,0,0|2,0,0]=4 2467 B11R1.17 COCCc1ccccc1Cl 34a_100011215284_200000210301 [1,1,0,0,0,0|2,0,0]=4 2468 B11R1.17 COCCc1ccccc1Cl 34a_100138415774_100011713703 [1,1,0,0,0,0|2,0,0]=4 2469 B11R1.17 COCCc1ccccc1Cl 7a_100011215284_200000210301 [1,1,0,0,0,0|2,0,0]=4 2470 B11R1.17 COCCc1ccccc1F 34a_100000753711_200000210301 [1,1,0,0,0,0|2,0,0]=4 2471 B11R1.17 COCCc1ccccc1F 34a_100138415774_100000720011 [1,1,0,0,0,0|2,0,0]=4 2472 B11R1.17 COCCc1ccccc1F 7a_100000753711_200000210301 [1,1,0,0,0,0|2,0,0]=4 2473 B11R1.17 COCCc1ccccc1I 34a_100010255290_200000210301 [1,1,0,0,0,0|2,0,0]=4 2474 B11R1.17 COCCc1ccccc1I 7a_100010255290_200000210301 [1,1,0,0,0,0|2,0,0]=4 2475 B11R1.17 COCCc1ccccc1N 34a_100011215289_200000210301 [1,1,0,0,0,0|2,0,0]=4 2476 B11R1.17 COCCc1ccccc1O 34a_100138415774_100000722297 [1,1,0,0,0,0|2,0,0]=4 2477 B11R1.17 CSCCc1ccccc1Br 62a_100012161201_200000210301 [1,1,0,0,0,0|2,0,0]=4 2478 B11R1.17 CSCCc1ccccc1Br 62a_200000210301_100012161201 [1,1,0,0,0,0|2,0,0]=4 2479 B11R1.17 CSCCc1ccccc1C 62a_100011713688_200000210301 [1,1,0,0,0,0|2,0,0]=4 2480 B11R1.17 CSCCc1ccccc1C 62a_200000210301_100011713688 [1,1,0,0,0,0|2,0,0]=4 2481 B11R1.17 CSCCc1ccccc1Cl 62a_100011713703_200000210301 [1,1,0,0,0,0|2,0,0]=4 2482 B11R1.17 CSCCc1ccccc1Cl 62a_200000210301_100011713703 [1,1,0,0,0,0|2,0,0]=4 2483 B11R1.17 CSCCc1ccccc1F 62a_100011713696_200000210301 [1,1,0,0,0,0|2,0,0]=4 2484 B11R1.17 CSCCc1ccccc1F 62a_200000210301_100011713696 [1,1,0,0,0,0|2,0,0]=4 2485 B11R1.17 CSCCc1ccccc1O 62a_100000722297_200000210301 [1,1,0,0,0,0|2,0,0]=4 2486 B11R1.17 CSCCc1ccccc1O 62a_200000210301_100000722297 [1,1,0,0,0,0|2,0,0]=4 2487 B11R1.17 C[n+]1ccccc1SCCO 62a_100000211926_100000212160 [1,1,0,0,0,0|2,0,0]=4 2488 B11R1.17 Cc1ccccc1CCN[13CH3] 2230a_100000685071_200025704644 [1,1,0,0,0,0|2,0,0]=4 2489 B11R1.17 Cc1ccccc1CCN[13CH3] 34a_100000685071_200025704644 [1,1,0,0,0,0|2,0,0]=4 2490 B11R1.17 Cc1ccccc1CCO[13CH3] 34a_100011220023_200025704644 [1,1,0,0,0,0|2,0,0]=4 2491 B11R1.17 Cc1ccccc1CCO[13CH3] 7a_100011220023_200025704644 [1,1,0,0,0,0|2,0,0]=4 2492 B11R1.17 Cc1ccccc1CCS[13CH3] 62a_100011713688_200025704644 [1,1,0,0,0,0|2,0,0]=4 2493 B11R1.17 Cc1ccccc1CCS[13CH3] 62a_200025704644_100011713688 [1,1,0,0,0,0|2,0,0]=4 2494 B11R1.17 Cc1ccccc1CNCF 34a_100000174972_100015361967 [1,1,0,0,0,0|2,0,0]=4 2495 B11R1.17 Cc1ccccc1COCF 34a_100000698903_100015361967 [1,1,0,0,0,0|2,0,0]=4 2496 B11R1.17 Cc1ccccc1COCF 7a_100000698903_100015361967 [1,1,0,0,0,0|2,0,0]=4 2497 B11R1.17 Cc1ccccc1CSCF 62a_100000211839_100015361967 [1,1,0,0,0,0|2,0,0]=4 2498 B11R1.17 Cc1ccccc1CSCF 62a_100015361967_100000211839 [1,1,0,0,0,0|2,0,0]=4 2499 B11R1.17 Cc1ccccc1NCCF 34a_100015192222_100011217306 [1,1,0,0,0,0|2,0,0]=4 2500 B11R1.17 Cc1ccccc1NCCO 34a_100015192222_100000211926 [1,1,0,0,0,0|1,0,0]=3 2501 B11R1.17 Cc1ccccc1OCCF 34a_100000210338_100011217306 [1,1,0,0,0,0|2,0,0]=4 2502 B11R1.17 Cc1ccccc1OCCF 7a_100000210338_100011217306 [1,1,0,0,0,0|2,0,0]=4 2503 B11R1.17 Cc1ccccc1OCCO 34a_100000210338_100000211926 [1,1,0,0,0,0|1,0,0]=3 2504 B11R1.17 Cc1ccccc1OCCO 7a_100000210338_100000211926 [1,1,0,0,0,0|1,0,0]=3 2505 B11R1.17 Cc1ccccc1SCCF 62a_100000210755_100011217306 [1,1,0,0,0,0|2,0,0]=4 2506 B11R1.17 Cc1ccccc1SCCF 62a_100011217306_100000210755 [1,1,0,0,0,0|2,0,0]=4 2507 B11R1.17 Cc1ccccc1SCCO 62a_100000210755_100000211926 [1,1,0,0,0,0|1,0,0]=3 2508 B11R1.17 Cc1ccccc1SCCO 62a_100000211926_100000210755 [1,1,0,0,0,0|1,0,0]=3 2509 B11R1.17 Cc1cccnc1SCCO 62a_100000211926_100000751373 [1,1,0,0,0,0|2,0,0]=4 2510 B11R1.17 Cc1cccnc1SCCO 62a_100000751373_100000211926 [1,1,0,0,0,0|2,0,0]=4 2511 B11R1.17 Cc1ccncc1OCCO 34a_100011997053_100000211926 [1,1,0,0,0,0|2,0,0]=4 2512 B11R1.17 Cc1ccncc1OCCO 7a_100011997053_100000211926 [1,1,0,0,0,0|2,0,0]=4 2513 B11R1.17 Cc1ccncc1SCCO 62a_100000211926_100000761580 [1,1,0,0,0,0|2,0,0]=4 2514 B11R1.17 Cc1ccncc1SCCO 62a_100000761580_100000211926 [1,1,0,0,0,0|2,0,0]=4 2515 B11R1.17 Cc1cnccc1NCCO 27a_100000210304_100000765111 [1,1,0,0,0,0|2,0,0]=4 2516 B11R1.17 Cc1cnccc1OCCO 34a_100000694293_100000211926 [1,1,0,0,0,0|2,0,0]=4 2517 B11R1.17 Cc1cnccc1SCCO 62a_100000211926_100000765111 [1,1,0,0,0,0|2,0,0]=4 2518 B11R1.17 Cc1cnccc1SCCO 62a_100000765111_100000211926 [1,1,0,0,0,0|2,0,0]=4 2519 B11R1.17 Cc1ncccc1OCCO 34a_100000745507_100000211926 [1,1,0,0,0,0|2,0,0]=4 2520 B11R1.17 Cc1ncccc1OCCO 7a_100000745507_100000211926 [1,1,0,0,0,0|2,0,0]=4 2521 B11R1.17 Cc1ncccc1SCCO 62a_100000211926_100000751574 [1,1,0,0,0,0|2,0,0]=4 2522 B11R1.17 Cc1ncccc1SCCO 62a_100000751574_100000211926 [1,1,0,0,0,0|2,0,0]=4 2523 B11R1.17 FCCNc1ccccc1Br 34a_100000210017_100011217306 [1,1,0,0,0,0|2,0,0]=4 2524 B11R1.17 FCCNc1ccccc1Cl 34a_100000185783_100011217306 [1,1,0,0,0,0|2,0,0]=4 2525 B11R1.17 FCCNc1ccccc1F 34a_100000210422_100011217306 [1,1,0,0,0,0|2,0,0]=4 2526 B11R1.17 FCCNc1ccccc1I 34a_100000210053_100011217306 [1,1,0,0,0,0|2,0,0]=4 2527 B11R1.17 FCCOc1ccccc1Br 34a_100000181306_100011217306 [1,1,0,0,0,0|2,0,0]=4 2528 B11R1.17 FCCOc1ccccc1Br 7a_100000181306_100011217306 [1,1,0,0,0,0|2,0,0]=4 2529 B11R1.17 FCCOc1ccccc1Cl 34a_100000210172_100011217306 [1,1,0,0,0,0|2,0,0]=4 2530 B11R1.17 FCCOc1ccccc1Cl 7a_100000210172_100011217306 [1,1,0,0,0,0|2,0,0]=4 2531 B11R1.17 FCCOc1ccccc1F 34a_100000210171_100011217306 [1,1,0,0,0,0|2,0,0]=4 2532 B11R1.17 FCCOc1ccccc1F 7a_100000210171_100011217306 [1,1,0,0,0,0|2,0,0]=4 2533 B11R1.17 FCCOc1ccccc1I 34a_100000739446_100011217306 [1,1,0,0,0,0|2,0,0]=4 2534 B11R1.17 FCCOc1ccccc1I 7a_100000739446_100011217306 [1,1,0,0,0,0|2,0,0]=4 2535 B11R1.17 FCCSc1ccccc1Br 62a_100000695589_100011217306 [1,1,0,0,0,0|2,0,0]=4 2536 B11R1.17 FCCSc1ccccc1Br 62a_100011217306_100000695589 [1,1,0,0,0,0|2,0,0]=4 2537 B11R1.17 FCCSc1ccccc1Cl 62a_100000764095_100011217306 [1,1,0,0,0,0|2,0,0]=4 2538 B11R1.17 FCCSc1ccccc1Cl 62a_100011217306_100000764095 [1,1,0,0,0,0|2,0,0]=4 2539 B11R1.17 FCCSc1ccccc1F 62a_100011215700_100011217306 [1,1,0,0,0,0|2,0,0]=4 2540 B11R1.17 FCCSc1ccccc1F 62a_100011217306_100011215700 [1,1,0,0,0,0|2,0,0]=4 2541 B11R1.17 FCNCc1ccccc1Br 34a_100000689332_100015361967 [1,1,0,0,0,0|2,0,0]=4 2542 B11R1.17 FCNCc1ccccc1Cl 34a_100000174879_100015361967 [1,1,0,0,0,0|2,0,0]=4 2543 B11R1.17 FCNCc1ccccc1F 34a_100000174869_100015361967 [1,1,0,0,0,0|2,0,0]=4 2544 B11R1.17 FCOCc1ccccc1Br 34a_100000756307_100015361967 [1,1,0,0,0,0|2,0,0]=4 2545 B11R1.17 FCOCc1ccccc1Br 7a_100000756307_100015361967 [1,1,0,0,0,0|2,0,0]=4 2546 B11R1.17 FCOCc1ccccc1Cl 34a_100000210847_100015361967 [1,1,0,0,0,0|2,0,0]=4 2547 B11R1.17 FCOCc1ccccc1Cl 7a_100000210847_100015361967 [1,1,0,0,0,0|2,0,0]=4 2548 B11R1.17 FCOCc1ccccc1F 34a_100000211962_100015361967 [1,1,0,0,0,0|2,0,0]=4 2549 B11R1.17 FCOCc1ccccc1F 7a_100000211962_100015361967 [1,1,0,0,0,0|2,0,0]=4 2550 B11R1.17 FCOCc1ccccc1I 34a_100000187465_100015361967 [1,1,0,0,0,0|2,0,0]=4 2551 B11R1.17 FCOCc1ccccc1I 7a_100000187465_100015361967 [1,1,0,0,0,0|2,0,0]=4 2552 B11R1.17 FCSCc1ccccc1Br 62a_100000184730_100015361967 [1,1,0,0,0,0|2,0,0]=4 2553 B11R1.17 FCSCc1ccccc1Br 62a_100015361967_100000184730 [1,1,0,0,0,0|2,0,0]=4 2554 B11R1.17 FCSCc1ccccc1Cl 62a_100000187162_100015361967 [1,1,0,0,0,0|2,0,0]=4 2555 B11R1.17 FCSCc1ccccc1Cl 62a_100015361967_100000187162 [1,1,0,0,0,0|2,0,0]=4 2556 B11R1.17 FCSCc1ccccc1F 62a_100000211605_100015361967 [1,1,0,0,0,0|2,0,0]=4 2557 B11R1.17 FCSCc1ccccc1F 62a_100015361967_100000211605 [1,1,0,0,0,0|2,0,0]=4 2558 B11R1.17 FCSCc1ccccc1I 62a_100011216222_100015361967 [1,1,0,0,0,0|2,0,0]=4 2559 B11R1.17 FCSCc1ccccc1I 62a_100015361967_100011216222 [1,1,0,0,0,0|2,0,0]=4 2560 B11R1.17 NCCOc1ccccc1O 271570a_203496583355_100000744007 [1,1,0,0,0,0|2,0,0]=4 2561 B11R1.17 Nc1ccccc1COCF 34a_100000212039_100015361967 [1,1,0,0,0,0|2,0,0]=4 2562 B11R1.17 Nc1ccccc1OCCF 34a_100000185747_100011217306 [1,1,0,0,0,0|2,0,0]=4 2563 B11R1.17 Nc1ccccc1OCCF 7a_100000185747_100011217306 [1,1,0,0,0,0|2,0,0]=4 2564 B11R1.17 Nc1ccccc1OCCO 34a_100000185747_100000211926 [1,1,0,0,0,0|1,0,0]=3 2565 B11R1.17 Nc1ccccc1OCCO 7a_100000185747_100000211926 [1,1,0,0,0,0|1,0,0]=3 2566 B11R1.17 Nc1ccccc1SCCF 62a_100000210017_100011217306 [1,1,0,0,0,0|2,0,0]=4 2567 B11R1.17 Nc1ccccc1SCCF 62a_100011217306_100000210017 [1,1,0,0,0,0|2,0,0]=4 2568 B11R1.17 Nc1ccccc1SCCO 62a_100000210017_100000211926 [1,1,0,0,0,0|1,0,0]=3 2569 B11R1.17 Nc1ccccc1SCCO 62a_100000211926_100000210017 [1,1,0,0,0,0|1,0,0]=3 2570 B11R1.17 Nc1cccnc1OCCO 34a_100000746358_100000211926 [1,1,0,0,0,0|2,0,0]=4 2571 B11R1.17 Nc1cccnc1SCCO 62a_100000211926_100000688686 [1,1,0,0,0,0|2,0,0]=4 2572 B11R1.17 Nc1cccnc1SCCO 62a_100000688686_100000211926 [1,1,0,0,0,0|2,0,0]=4 2573 B11R1.17 Nc1ccncc1OCCO 34a_100000753702_100000211926 [1,1,0,0,0,0|2,0,0]=4 2574 B11R1.17 Nc1ccncc1SCCO 62a_100000047001_100000211926 [1,1,0,0,0,0|2,0,0]=4 2575 B11R1.17 Nc1ccncc1SCCO 62a_100000211926_100000047001 [1,1,0,0,0,0|2,0,0]=4 2576 B11R1.17 Nc1cnccc1SCCO 62a_100000211926_100000756074 [1,1,0,0,0,0|2,0,0]=4 2577 B11R1.17 Nc1cnccc1SCCO 62a_100000756074_100000211926 [1,1,0,0,0,0|2,0,0]=4 2578 B11R1.17 Nc1ncccc1OCCO 34a_100000211975_100000211926 [1,1,0,0,0,0|2,0,0]=4 2579 B11R1.17 Nc1ncccc1OCCO 7a_100000211975_100000211926 [1,1,0,0,0,0|2,0,0]=4 2580 B11R1.17 Nc1ncccc1SCCO 62a_100000045569_100000211926 [1,1,0,0,0,0|2,0,0]=4 2581 B11R1.17 Nc1ncccc1SCCO 62a_100000211926_100000045569 [1,1,0,0,0,0|2,0,0]=4 2582 B11R1.17 O=CCCc1ccccc1O 271570a_203496583355_100011713448 [1,1,0,0,0,0|0,0,2]=4 2583 B11R1.17 O=c1cc[nH]cc1SCCO 62a_100000211926_100009998708 [1,1,0,0,0,0|2,0,0]=4 2584 B11R1.17 O=c1cc[nH]cc1SCCO 62a_100009998708_100000211926 [1,1,0,0,0,0|2,0,0]=4 2585 B11R1.17 O=c1ccocc1OCCO 34a_100000060831_100000211926 [1,1,0,0,0,0|2,0,0]=4 2586 B11R1.17 O=c1occcc1OCCO 34a_100000077404_100000211926 [1,1,0,0,0,0|2,0,0]=4 2587 B11R1.17 O=c1occcc1OCCO 7a_100000077404_100000211926 [1,1,0,0,0,0|2,0,0]=4 2588 B11R1.17 OCC#Cc1ccccc1O 271570a_203496583355_100009814404 [1,1,0,0,0,0|0,0,2]=4 2589 B11R1.17 OCCCc1ccccc1O 271570a_203496583355_100000699526 [1,1,0,0,0,0|0,0,0]=2 2590 B11R1.17 OCCNc1ccccc1Br 34a_100000210017_100000211926 [1,1,0,0,0,0|1,0,0]=3 2591 B11R1.17 OCCNc1ccccc1Cl 34a_100000185783_100000211926 [1,1,0,0,0,0|1,0,0]=3 2592 B11R1.17 OCCNc1ccccc1F 34a_100000210422_100000211926 [1,1,0,0,0,0|1,0,0]=3 2593 B11R1.17 OCCNc1ccccc1I 34a_100000210053_100000211926 [1,1,0,0,0,0|1,0,0]=3 2594 B11R1.17 OCCNc1ccccc1O 34a_100000185747_100000211926 [1,1,0,0,0,0|1,0,0]=3 2595 B11R1.17 OCCNc1ccncc1Br 27a_100000210304_100000726257 [1,1,0,0,0,0|2,0,0]=4 2596 B11R1.17 OCCNc1ccncc1F 27a_100000210304_100000035921 [1,1,0,0,0,0|2,0,0]=4 2597 B11R1.17 OCCNc1ncccc1Br 27a_100000210304_100000696092 [1,1,0,0,0,0|2,0,0]=4 2598 B11R1.17 OCCNc1ncccc1O 271570a_203496583355_200011464885 [1,1,0,0,0,0|2,0,0]=4 2599 B11R1.17 OCCOc1ccccc1Br 34a_100000181306_100000211926 [1,1,0,0,0,0|1,0,0]=3 2600 B11R1.17 OCCOc1ccccc1Br 7a_100000181306_100000211926 [1,1,0,0,0,0|1,0,0]=3 2601 B11R1.17 OCCOc1ccccc1Cl 34a_100000210172_100000211926 [1,1,0,0,0,0|1,0,0]=3 2602 B11R1.17 OCCOc1ccccc1Cl 7a_100000210172_100000211926 [1,1,0,0,0,0|1,0,0]=3 2603 B11R1.17 OCCOc1ccccc1F 34a_100000210171_100000211926 [1,1,0,0,0,0|1,0,0]=3 2604 B11R1.17 OCCOc1ccccc1F 7a_100000210171_100000211926 [1,1,0,0,0,0|1,0,0]=3 2605 B11R1.17 OCCOc1ccccc1I 34a_100000739446_100000211926 [1,1,0,0,0,0|1,0,0]=3 2606 B11R1.17 OCCOc1ccccc1I 7a_100000739446_100000211926 [1,1,0,0,0,0|1,0,0]=3 2607 B11R1.17 OCCOc1ccccc1O 271570a_203496583355_100000230753 [1,1,0,0,0,0|1,0,0]=3 2608 B11R1.17 OCCOc1cccnc1Br 34a_100000744436_100000211926 [1,1,0,0,0,0|2,0,0]=4 2609 B11R1.17 OCCOc1cccnc1Br 7a_100000744436_100000211926 [1,1,0,0,0,0|2,0,0]=4 2610 B11R1.17 OCCOc1cccnc1Cl 34a_100000757616_100000211926 [1,1,0,0,0,0|2,0,0]=4 2611 B11R1.17 OCCOc1cccnc1Cl 7a_100000757616_100000211926 [1,1,0,0,0,0|2,0,0]=4 2612 B11R1.17 OCCOc1cccnc1F 34a_100000061740_100000211926 [1,1,0,0,0,0|2,0,0]=4 2613 B11R1.17 OCCOc1cccnc1F 7a_100000061740_100000211926 [1,1,0,0,0,0|2,0,0]=4 2614 B11R1.17 OCCOc1cccnc1I 34a_100000034122_100000211926 [1,1,0,0,0,0|2,0,0]=4 2615 B11R1.17 OCCOc1cccnc1I 7a_100000034122_100000211926 [1,1,0,0,0,0|2,0,0]=4 2616 B11R1.17 OCCOc1ccncc1Br 34a_100011996408_100000211926 [1,1,0,0,0,0|2,0,0]=4 2617 B11R1.17 OCCOc1ccncc1Cl 34a_100011997054_100000211926 [1,1,0,0,0,0|2,0,0]=4 2618 B11R1.17 OCCOc1ccncc1F 34a_200000081243_100000211926 [1,1,0,0,0,0|2,0,0]=4 2619 B11R1.17 OCCOc1cnccc1Cl 34a_100011996695_100000211926 [1,1,0,0,0,0|2,0,0]=4 2620 B11R1.17 OCCOc1cnccc1I 34a_100000050107_100000211926 [1,1,0,0,0,0|2,0,0]=4 2621 B11R1.17 OCCOc1ncccc1Cl 34a_100011290957_100000211926 [1,1,0,0,0,0|2,0,0]=4 2622 B11R1.17 OCCOc1ncccc1F 34a_100011219419_100000211926 [1,1,0,0,0,0|2,0,0]=4 2623 B11R1.17 OCCSc1c[nH]ccc1=S 62a_100000211926_200012280681 [1,1,0,0,0,0|2,0,0]=4 2624 B11R1.17 OCCSc1c[nH]ccc1=S 62a_200012280681_100000211926 [1,1,0,0,0,0|2,0,0]=4 2625 B11R1.17 OCCSc1ccccc1Br 62a_100000211926_100000695589 [1,1,0,0,0,0|1,0,0]=3 2626 B11R1.17 OCCSc1ccccc1Br 62a_100000695589_100000211926 [1,1,0,0,0,0|1,0,0]=3 2627 B11R1.17 OCCSc1ccccc1Cl 62a_100000211926_100000764095 [1,1,0,0,0,0|1,0,0]=3 2628 B11R1.17 OCCSc1ccccc1Cl 62a_100000764095_100000211926 [1,1,0,0,0,0|1,0,0]=3 2629 B11R1.17 OCCSc1ccccc1F 62a_100000211926_100011215700 [1,1,0,0,0,0|1,0,0]=3 2630 B11R1.17 OCCSc1ccccc1F 62a_100011215700_100000211926 [1,1,0,0,0,0|1,0,0]=3 2631 B11R1.17 OCCSc1ccccc1O 271570a_203496583355_200000230852 [1,1,0,0,0,0|1,0,0]=3 2632 B11R1.17 OCCSc1ccccc1O 62a_100000211926_100000739446 [1,1,0,0,0,0|1,0,0]=3 2633 B11R1.17 OCCSc1ccccc1O 62a_100000739446_100000211926 [1,1,0,0,0,0|1,0,0]=3 2634 B11R1.17 OCCSc1cccnc1Br 62a_100000211926_100010202626 [1,1,0,0,0,0|2,0,0]=4 2635 B11R1.17 OCCSc1cccnc1Br 62a_100010202626_100000211926 [1,1,0,0,0,0|2,0,0]=4 2636 B11R1.17 OCCSc1cccnc1Cl 62a_100000036424_100000211926 [1,1,0,0,0,0|2,0,0]=4 2637 B11R1.17 OCCSc1cccnc1Cl 62a_100000211926_100000036424 [1,1,0,0,0,0|2,0,0]=4 2638 B11R1.17 OCCSc1cccnc1F 62a_100000211926_100009816115 [1,1,0,0,0,0|2,0,0]=4 2639 B11R1.17 OCCSc1cccnc1F 62a_100009816115_100000211926 [1,1,0,0,0,0|2,0,0]=4 2640 B11R1.17 OCCSc1cccnc1O 62a_100000211926_100000760158 [1,1,0,0,0,0|2,0,0]=4 2641 B11R1.17 OCCSc1cccnc1O 62a_100000760158_100000211926 [1,1,0,0,0,0|2,0,0]=4 2642 B11R1.17 OCCSc1ccncc1Br 62a_100000211926_100000726257 [1,1,0,0,0,0|2,0,0]=4 2643 B11R1.17 OCCSc1ccncc1Br 62a_100000726257_100000211926 [1,1,0,0,0,0|2,0,0]=4 2644 B11R1.17 OCCSc1ccncc1Cl 62a_100000211926_100000708259 [1,1,0,0,0,0|2,0,0]=4 2645 B11R1.17 OCCSc1ccncc1Cl 62a_100000708259_100000211926 [1,1,0,0,0,0|2,0,0]=4 2646 B11R1.17 OCCSc1ccncc1F 62a_100000047030_100000211926 [1,1,0,0,0,0|2,0,0]=4 2647 B11R1.17 OCCSc1ccncc1F 62a_100000211926_100000047030 [1,1,0,0,0,0|2,0,0]=4 2648 B11R1.17 OCCSc1ccncc1O 62a_100000211926_100009817591 [1,1,0,0,0,0|2,0,0]=4 2649 B11R1.17 OCCSc1ccncc1O 62a_100009817591_100000211926 [1,1,0,0,0,0|2,0,0]=4 2650 B11R1.17 OCCSc1cnccc1Br 62a_100000211926_100010138639 [1,1,0,0,0,0|2,0,0]=4 2651 B11R1.17 OCCSc1cnccc1Br 62a_100010138639_100000211926 [1,1,0,0,0,0|2,0,0]=4 2652 B11R1.17 OCCSc1cnccc1Cl 62a_100000211926_100009995489 [1,1,0,0,0,0|2,0,0]=4 2653 B11R1.17 OCCSc1cnccc1Cl 62a_100009995489_100000211926 [1,1,0,0,0,0|2,0,0]=4 2654 B11R1.17 OCCSc1cnccc1F 62a_100000211926_100009820683 [1,1,0,0,0,0|2,0,0]=4 2655 B11R1.17 OCCSc1cnccc1F 62a_100009820683_100000211926 [1,1,0,0,0,0|2,0,0]=4 2656 B11R1.17 OCCSc1ncccc1Br 62a_100000211926_100000696092 [1,1,0,0,0,0|2,0,0]=4 2657 B11R1.17 OCCSc1ncccc1Br 62a_100000696092_100000211926 [1,1,0,0,0,0|2,0,0]=4 2658 B11R1.17 OCCSc1ncccc1Cl 62a_100000211926_100011356963 [1,1,0,0,0,0|2,0,0]=4 2659 B11R1.17 OCCSc1ncccc1Cl 62a_100011356963_100000211926 [1,1,0,0,0,0|2,0,0]=4 2660 B11R1.17 OCCSc1ncccc1F 62a_100000211926_100000685392 [1,1,0,0,0,0|2,0,0]=4 2661 B11R1.17 OCCSc1ncccc1F 62a_100000685392_100000211926 [1,1,0,0,0,0|2,0,0]=4 2662 B11R1.17 OCCSc1ncccc1O 62a_100000034122_100000211926 [1,1,0,0,0,0|2,0,0]=4 2663 B11R1.17 OCCSc1ncccc1O 62a_100000211926_100000034122 [1,1,0,0,0,0|2,0,0]=4 2664 B11R1.17 Oc1ccccc1CNCF 34a_100000185550_100015361967 [1,1,0,0,0,0|2,0,0]=4 2665 B11R1.17 Oc1ccccc1NCCF 34a_100000185747_100011217306 [1,1,0,0,0,0|2,0,0]=4 2666 B11R1.17 Oc1ccccc1SCCF 62a_100000739446_100011217306 [1,1,0,0,0,0|2,0,0]=4 2667 B11R1.17 Oc1ccccc1SCCF 62a_100011217306_100000739446 [1,1,0,0,0,0|2,0,0]=4 2668 B11R1.17 [13CH3]NCCc1ccccc1Br 2230a_100000747383_200025704644 [1,1,0,0,0,0|2,0,0]=4 2669 B11R1.17 [13CH3]NCCc1ccccc1Br 34a_100000747383_200025704644 [1,1,0,0,0,0|2,0,0]=4 2670 B11R1.17 [13CH3]NCCc1ccccc1Cl 2230a_100011207228_200025704644 [1,1,0,0,0,0|2,0,0]=4 2671 B11R1.17 [13CH3]NCCc1ccccc1Cl 34a_100011207228_200025704644 [1,1,0,0,0,0|2,0,0]=4 2672 B11R1.17 [13CH3]NCCc1ccccc1F 2230a_100000185272_200025704644 [1,1,0,0,0,0|2,0,0]=4 2673 B11R1.17 [13CH3]NCCc1ccccc1F 34a_100000185272_200025704644 [1,1,0,0,0,0|2,0,0]=4 2674 B11R1.17 [13CH3]NCCc1ccccc1O 34a_100011207237_200025704644 [1,1,0,0,0,0|2,0,0]=4 2675 B11R1.17 [13CH3]OCCc1ccccc1Br 34a_100000731337_200025704644 [1,1,0,0,0,0|2,0,0]=4 2676 B11R1.17 [13CH3]OCCc1ccccc1Br 7a_100000731337_200025704644 [1,1,0,0,0,0|2,0,0]=4 2677 B11R1.17 [13CH3]OCCc1ccccc1Cl 34a_100011215284_200025704644 [1,1,0,0,0,0|2,0,0]=4 2678 B11R1.17 [13CH3]OCCc1ccccc1Cl 7a_100011215284_200025704644 [1,1,0,0,0,0|2,0,0]=4 2679 B11R1.17 [13CH3]OCCc1ccccc1F 34a_100000753711_200025704644 [1,1,0,0,0,0|2,0,0]=4 2680 B11R1.17 [13CH3]OCCc1ccccc1F 7a_100000753711_200025704644 [1,1,0,0,0,0|2,0,0]=4 2681 B11R1.17 [13CH3]OCCc1ccccc1I 34a_100010255290_200025704644 [1,1,0,0,0,0|2,0,0]=4 2682 B11R1.17 [13CH3]OCCc1ccccc1I 7a_100010255290_200025704644 [1,1,0,0,0,0|2,0,0]=4 2683 B11R1.17 [13CH3]OCCc1ccccc1N 34a_100011215289_200025704644 [1,1,0,0,0,0|2,0,0]=4 2684 B11R1.17 [13CH3]SCCc1ccccc1Br 62a_100012161201_200025704644 [1,1,0,0,0,0|2,0,0]=4 2685 B11R1.17 [13CH3]SCCc1ccccc1Br 62a_200025704644_100012161201 [1,1,0,0,0,0|2,0,0]=4 2686 B11R1.17 [13CH3]SCCc1ccccc1Cl 62a_100011713703_200025704644 [1,1,0,0,0,0|2,0,0]=4 2687 B11R1.17 [13CH3]SCCc1ccccc1Cl 62a_200025704644_100011713703 [1,1,0,0,0,0|2,0,0]=4 2688 B11R1.17 [13CH3]SCCc1ccccc1F 62a_100011713696_200025704644 [1,1,0,0,0,0|2,0,0]=4 2689 B11R1.17 [13CH3]SCCc1ccccc1F 62a_200025704644_100011713696 [1,1,0,0,0,0|2,0,0]=4 2690 B11R1.17 [13CH3]SCCc1ccccc1O 62a_100000722297_200025704644 [1,1,0,0,0,0|2,0,0]=4 2691 B11R1.17 [13CH3]SCCc1ccccc1O 62a_200025704644_100000722297 [1,1,0,0,0,0|2,0,0]=4 2692 B11R1.17 [O-][n+]1ccccc1OCCO 7a_100000211761_100000211926 [1,1,0,0,0,0|2,0,0]=4 2693 B11R1.17 [O-][n+]1ccccc1SCCO 62a_100000211926_200000042595 [1,1,0,0,0,0|2,0,0]=4 2694 B11R1.24 CCCCc1cc(ccn1)C 271570a_100020621405_100000750283 [1,1,0,0,0,0|2,0,0]=4 2695 B11R1.24 CCCCc1cc(ccn1)Cl 271570a_100020621405_100010167805 [1,1,0,0,0,0|2,0,0]=4 2696 B11R1.24 CCCCc1cc(ccn1)F 271570a_100020621405_100009817058 [1,1,0,0,0,0|2,0,0]=4 2697 B11R1.24 CCCCc1cc(ccn1)N 271570a_100020621405_100009814236 [1,1,0,0,0,0|2,0,0]=4 2698 B11R1.24 CCCCc1cc(ccn1)O 271570a_100020621405_100000762945 [1,1,0,0,0,0|2,0,0]=4 2699 B11R1.24 CCCCc1cc[nH]c(=O)c1 271570a_100020621405_100009816521 [1,1,0,0,0,0|2,0,0]=4 2700 B11R1.24 CCCCc1ccc[n+](c1)C 271570a_100020621405_100009996589 [1,1,0,0,0,0|2,0,0]=4 2701 B11R1.24 CCCCc1ccc[n+](c1)[O-] 271570a_100020621405_100009815978 [1,1,0,0,0,0|2,0,0]=4 2702 B11R1.24 CCCCc1cccc(=O)[nH]1 271570a_100020621405_100000761760 [1,1,0,0,0,0|2,0,0]=4 2703 B11R1.24 CCCCc1cccc(c1)Br 271570a_100020621405_100000691529 [1,1,0,0,0,0|1,0,0]=3 2704 B11R1.24 CCCCc1cccc(c1)C 271570a_100020621405_100011215228 [1,1,0,0,0,0|1,0,0]=3 2705 B11R1.24 CCCCc1cccc(c1)Cl 271570a_100020621405_100000699651 [1,1,0,0,0,0|1,0,0]=3 2706 B11R1.24 CCCCc1cccc(c1)F 271570a_100020621405_100000685547 [1,1,0,0,0,0|1,0,0]=3 2707 B11R1.24 CCCCc1cccc(c1)N 271570a_100020621405_100000210019 [1,1,0,0,0,0|1,0,0]=3 2708 B11R1.24 CCCCc1cccc(c1)O 271570a_100020621405_100000211634 [1,1,0,0,0,0|1,0,0]=3 2709 B11R1.24 CCCCc1cccc(c1)O 271570a_203496583355_200010244551 [1,1,0,0,0,0|1,0,0]=3 2710 B11R1.24 CCCCc1cccc(c1)[S] 271570a_100020621405_114929384022 [1,1,0,0,0,0|1,0,0]=3 2711 B11R1.24 CCCCc1cccc(n1)Br 271570a_100020621405_100000684672 [1,1,0,0,0,0|2,0,0]=4 2712 B11R1.24 CCCCc1cccc(n1)C 271570a_100020621405_100000742759 [1,1,0,0,0,0|2,0,0]=4 2713 B11R1.24 CCCCc1cccc(n1)F 271570a_100020621405_100009815982 [1,1,0,0,0,0|2,0,0]=4 2714 B11R1.24 CCCCc1cccc(n1)N 271570a_100020621405_100000740741 [1,1,0,0,0,0|2,0,0]=4 2715 B11R1.24 CCCCc1ccnc(c1)Br 271570a_100020621405_100009814637 [1,1,0,0,0,0|2,0,0]=4 2716 B11R1.24 CCCCc1ccnc(c1)C 271570a_100020621405_100000758586 [1,1,0,0,0,0|2,0,0]=4 2717 B11R1.24 CCCCc1ccnc(c1)Cl 271570a_100020621405_100000035001 [1,1,0,0,0,0|2,0,0]=4 2718 B11R1.24 CCCCc1ccnc(c1)F 271570a_100020621405_100009816116 [1,1,0,0,0,0|2,0,0]=4 2719 B11R1.24 CCCCc1ccnc(c1)N 271570a_100020621405_100000744379 [1,1,0,0,0,0|2,0,0]=4 2720 B11R1.24 CCCCc1cncc(c1)Br 271570a_100020621405_100000728054 [1,1,0,0,0,0|2,0,0]=4 2721 B11R1.24 CCCCc1cncc(c1)C 271570a_100020621405_100000760492 [1,1,0,0,0,0|2,0,0]=4 2722 B11R1.24 CCCCc1cncc(c1)Cl 271570a_100020621405_100000049639 [1,1,0,0,0,0|2,0,0]=4 2723 B11R1.24 CCCCc1cncc(c1)F 271570a_100020621405_100000744099 [1,1,0,0,0,0|2,0,0]=4 2724 B11R1.24 CCCCc1cncc(c1)N 271570a_100020621405_100000687067 [1,1,0,0,0,0|2,0,0]=4 2725 B11R1.24 CCCCc1cncc(c1)O 271570a_100020621405_100000754920 [1,1,0,0,0,0|2,0,0]=4 2726 B11R1.24 CCCNc1cccc(c1)Br 34a_100000210019_100000210303 [1,1,0,0,0,0|2,0,0]=4 2727 B11R1.24 CCCNc1cccc(c1)C 2230a_100000188690_100000210303 [1,1,0,0,0,0|2,0,0]=4 2728 B11R1.24 CCCNc1cccc(c1)C 34a_100000188690_100000210303 [1,1,0,0,0,0|2,0,0]=4 2729 B11R1.24 CCCNc1cccc(c1)Cl 34a_100000185859_100000210303 [1,1,0,0,0,0|2,0,0]=4 2730 B11R1.24 CCCNc1cccc(c1)F 34a_100000210047_100000210303 [1,1,0,0,0,0|2,0,0]=4 2731 B11R1.24 CCCNc1cccc(c1)I 34a_100000211102_100000210303 [1,1,0,0,0,0|2,0,0]=4 2732 B11R1.24 CCCNc1cccc(c1)O 34a_100000210217_100000210303 [1,1,0,0,0,0|2,0,0]=4 2733 B11R1.24 CCCOc1cccc(c1)Br 34a_100000210342_100000210303 [1,1,0,0,0,0|2,0,0]=4 2734 B11R1.24 CCCOc1cccc(c1)Br 7a_100000210342_100000210303 [1,1,0,0,0,0|2,0,0]=4 2735 B11R1.24 CCCOc1cccc(c1)C 34a_100000210337_100000210303 [1,1,0,0,0,0|2,0,0]=4 2736 B11R1.24 CCCOc1cccc(c1)C 7a_100000210337_100000210303 [1,1,0,0,0,0|2,0,0]=4 2737 B11R1.24 CCCOc1cccc(c1)Cl 34a_100000210295_100000210303 [1,1,0,0,0,0|2,0,0]=4 2738 B11R1.24 CCCOc1cccc(c1)Cl 7a_100000210295_100000210303 [1,1,0,0,0,0|2,0,0]=4 2739 B11R1.24 CCCOc1cccc(c1)F 34a_100000210426_100000210303 [1,1,0,0,0,0|2,0,0]=4 2740 B11R1.24 CCCOc1cccc(c1)F 7a_100000210426_100000210303 [1,1,0,0,0,0|2,0,0]=4 2741 B11R1.24 CCCOc1cccc(c1)I 34a_100000211634_100000210303 [1,1,0,0,0,0|2,0,0]=4 2742 B11R1.24 CCCOc1cccc(c1)I 7a_100000211634_100000210303 [1,1,0,0,0,0|2,0,0]=4 2743 B11R1.24 CCCOc1cccc(c1)N 34a_100000210217_100000210303 [1,1,0,0,0,0|2,0,0]=4 2744 B11R1.24 CCCOc1cccc(c1)O 271570a_203496583355_100000170004 [1,1,0,0,0,0|2,0,0]=4 2745 B11R1.24 CCCSc1cccc(c1)Br 62a_100000210303_100000691529 [1,1,0,0,0,0|2,0,0]=4 2746 B11R1.24 CCCSc1cccc(c1)Br 62a_100000691529_100000210303 [1,1,0,0,0,0|2,0,0]=4 2747 B11R1.24 CCCSc1cccc(c1)C 62a_100000210303_100011215228 [1,1,0,0,0,0|2,0,0]=4 2748 B11R1.24 CCCSc1cccc(c1)C 62a_100011215228_100000210303 [1,1,0,0,0,0|2,0,0]=4 2749 B11R1.24 CCCSc1cccc(c1)Cl 62a_100000210303_100000699651 [1,1,0,0,0,0|2,0,0]=4 2750 B11R1.24 CCCSc1cccc(c1)Cl 62a_100000699651_100000210303 [1,1,0,0,0,0|2,0,0]=4 2751 B11R1.24 CCCSc1cccc(c1)F 62a_100000210303_100000685547 [1,1,0,0,0,0|2,0,0]=4 2752 B11R1.24 CCCSc1cccc(c1)F 62a_100000685547_100000210303 [1,1,0,0,0,0|2,0,0]=4 2753 B11R1.24 CCCSc1cccc(c1)N 62a_100000210019_100000210303 [1,1,0,0,0,0|2,0,0]=4 2754 B11R1.24 CCCSc1cccc(c1)N 62a_100000210303_100000210019 [1,1,0,0,0,0|2,0,0]=4 2755 B11R1.24 CCCSc1cccc(c1)O 271570a_203496583355_200009815762 [1,1,0,0,0,0|2,0,0]=4 2756 B11R1.24 CCCSc1cccc(c1)O 62a_100000210303_100000211634 [1,1,0,0,0,0|2,0,0]=4 2757 B11R1.24 CCCSc1cccc(c1)[S] 62a_100000210303_114929384022 [1,1,0,0,0,0|2,0,0]=4 2758 B11R1.24 CCCSc1cccc(c1)[S] 62a_114929384022_100000210303 [1,1,0,0,0,0|2,0,0]=4 2759 B11R1.24 CCNCc1cccc(c1)Br 207a_100015525214_100000210085 [1,1,0,0,0,0|2,0,0]=4 2760 B11R1.24 CCNCc1cccc(c1)Br 2230a_100000174977_100000210202 [1,1,0,0,0,0|2,0,0]=4 2761 B11R1.24 CCNCc1cccc(c1)Br 2230a_100015525214_100000698116 [1,1,0,0,0,0|2,0,0]=4 2762 B11R1.24 CCNCc1cccc(c1)Br 270004a_100015525214_100000210085 [1,1,0,0,0,0|2,0,0]=4 2763 B11R1.24 CCNCc1cccc(c1)Br 34a_100000174977_100000210202 [1,1,0,0,0,0|2,0,0]=4 2764 B11R1.24 CCNCc1cccc(c1)C 207a_100015525214_100000211157 [1,1,0,0,0,0|2,0,0]=4 2765 B11R1.24 CCNCc1cccc(c1)C 2230a_100000185548_100000210202 [1,1,0,0,0,0|2,0,0]=4 2766 B11R1.24 CCNCc1cccc(c1)C 2230a_100015525214_100000211840 [1,1,0,0,0,0|2,0,0]=4 2767 B11R1.24 CCNCc1cccc(c1)C 270004a_100015525214_100000211157 [1,1,0,0,0,0|2,0,0]=4 2768 B11R1.24 CCNCc1cccc(c1)C 34a_100000185548_100000210202 [1,1,0,0,0,0|2,0,0]=4 2769 B11R1.24 CCNCc1cccc(c1)Cl 207a_100015525214_100000210801 [1,1,0,0,0,0|2,0,0]=4 2770 B11R1.24 CCNCc1cccc(c1)Cl 2230a_100000174878_100000210202 [1,1,0,0,0,0|2,0,0]=4 2771 B11R1.24 CCNCc1cccc(c1)Cl 2230a_100015525214_100000181238 [1,1,0,0,0,0|2,0,0]=4 2772 B11R1.24 CCNCc1cccc(c1)Cl 270004a_100015525214_100000210801 [1,1,0,0,0,0|2,0,0]=4 2773 B11R1.24 CCNCc1cccc(c1)Cl 34a_100000174878_100000210202 [1,1,0,0,0,0|2,0,0]=4 2774 B11R1.24 CCNCc1cccc(c1)F 207a_100015525214_100000210812 [1,1,0,0,0,0|2,0,0]=4 2775 B11R1.24 CCNCc1cccc(c1)F 2230a_100000174948_100000210202 [1,1,0,0,0,0|2,0,0]=4 2776 B11R1.24 CCNCc1cccc(c1)F 2230a_100015525214_100000230114 [1,1,0,0,0,0|2,0,0]=4 2777 B11R1.24 CCNCc1cccc(c1)F 270004a_100015525214_100000210812 [1,1,0,0,0,0|2,0,0]=4 2778 B11R1.24 CCNCc1cccc(c1)F 34a_100000174948_100000210202 [1,1,0,0,0,0|2,0,0]=4 2779 B11R1.24 CCNCc1cccc(c1)I 207a_100015525214_100000014684 [1,1,0,0,0,0|2,0,0]=4 2780 B11R1.24 CCNCc1cccc(c1)I 2230a_100000106179_100000210202 [1,1,0,0,0,0|2,0,0]=4 2781 B11R1.24 CCNCc1cccc(c1)I 2230a_100015525214_100011218688 [1,1,0,0,0,0|2,0,0]=4 2782 B11R1.24 CCNCc1cccc(c1)I 270004a_100015525214_100000014684 [1,1,0,0,0,0|2,0,0]=4 2783 B11R1.24 CCNCc1cccc(c1)I 34a_100000106179_100000210202 [1,1,0,0,0,0|2,0,0]=4 2784 B11R1.24 CCNCc1cccc(c1)O 207a_100015525214_100000188321 [1,1,0,0,0,0|2,0,0]=4 2785 B11R1.24 CCNCc1cccc(c1)O 2230a_100000743036_100000210202 [1,1,0,0,0,0|2,0,0]=4 2786 B11R1.24 CCNCc1cccc(c1)O 2230a_100015525214_100011660834 [1,1,0,0,0,0|2,0,0]=4 2787 B11R1.24 CCNCc1cccc(c1)O 270004a_100015525214_100000188321 [1,1,0,0,0,0|2,0,0]=4 2788 B11R1.24 CCNCc1cccc(c1)O 271570a_203496583355_100000187426 [1,1,0,0,0,0|2,0,0]=4 2789 B11R1.24 CCNCc1cccc(c1)O 34a_100000743036_100000210202 [1,1,0,0,0,0|2,0,0]=4 2790 B11R1.24 CCOCc1cccc(c1)Br 34a_100000687537_100000210202 [1,1,0,0,0,0|2,0,0]=4 2791 B11R1.24 CCOCc1cccc(c1)Br 34a_100121572206_100000698116 [1,1,0,0,0,0|2,0,0]=4 2792 B11R1.24 CCOCc1cccc(c1)Br 7a_100000687537_100000210202 [1,1,0,0,0,0|2,0,0]=4 2793 B11R1.24 CCOCc1cccc(c1)C 34a_100011217746_100000210202 [1,1,0,0,0,0|2,0,0]=4 2794 B11R1.24 CCOCc1cccc(c1)C 34a_100121572206_100000211840 [1,1,0,0,0,0|2,0,0]=4 2795 B11R1.24 CCOCc1cccc(c1)C 7a_100011217746_100000210202 [1,1,0,0,0,0|2,0,0]=4 2796 B11R1.24 CCOCc1cccc(c1)Cl 34a_100000241301_100000210202 [1,1,0,0,0,0|2,0,0]=4 2797 B11R1.24 CCOCc1cccc(c1)Cl 34a_100121572206_100000187163 [1,1,0,0,0,0|2,0,0]=4 2798 B11R1.24 CCOCc1cccc(c1)Cl 7a_100000241301_100000210202 [1,1,0,0,0,0|2,0,0]=4 2799 B11R1.24 CCOCc1cccc(c1)F 34a_100000210976_100000210202 [1,1,0,0,0,0|2,0,0]=4 2800 B11R1.24 CCOCc1cccc(c1)F 34a_100121572206_100000187166 [1,1,0,0,0,0|2,0,0]=4 2801 B11R1.24 CCOCc1cccc(c1)F 7a_100000210976_100000210202 [1,1,0,0,0,0|2,0,0]=4 2802 B11R1.24 CCOCc1cccc(c1)I 34a_100011215336_100000210202 [1,1,0,0,0,0|2,0,0]=4 2803 B11R1.24 CCOCc1cccc(c1)I 34a_100121572206_100011218688 [1,1,0,0,0,0|2,0,0]=4 2804 B11R1.24 CCOCc1cccc(c1)I 7a_100011215336_100000210202 [1,1,0,0,0,0|2,0,0]=4 2805 B11R1.24 CCOCc1cccc(c1)N 34a_100000211919_100000210202 [1,1,0,0,0,0|2,0,0]=4 2806 B11R1.24 CCOCc1cccc(c1)O 271570a_203496583355_100011493694 [1,1,0,0,0,0|2,0,0]=4 2807 B11R1.24 CCOCc1cccc(c1)O 34a_100121572206_100011660834 [1,1,0,0,0,0|2,0,0]=4 2808 B11R1.24 CCSCc1cccc(c1)Br 62a_100000210202_100000211773 [1,1,0,0,0,0|2,0,0]=4 2809 B11R1.24 CCSCc1cccc(c1)Br 62a_100000211773_100000210202 [1,1,0,0,0,0|2,0,0]=4 2810 B11R1.24 CCSCc1cccc(c1)C 62a_100000210202_100000211840 [1,1,0,0,0,0|2,0,0]=4 2811 B11R1.24 CCSCc1cccc(c1)C 62a_100000211840_100000210202 [1,1,0,0,0,0|2,0,0]=4 2812 B11R1.24 CCSCc1cccc(c1)Cl 62a_100000187163_100000210202 [1,1,0,0,0,0|2,0,0]=4 2813 B11R1.24 CCSCc1cccc(c1)Cl 62a_100000210202_100000187163 [1,1,0,0,0,0|2,0,0]=4 2814 B11R1.24 CCSCc1cccc(c1)F 62a_100000210202_100000230114 [1,1,0,0,0,0|2,0,0]=4 2815 B11R1.24 CCSCc1cccc(c1)F 62a_100000230114_100000210202 [1,1,0,0,0,0|2,0,0]=4 2816 B11R1.24 CCSCc1cccc(c1)I 62a_100000210202_100011218688 [1,1,0,0,0,0|2,0,0]=4 2817 B11R1.24 CCSCc1cccc(c1)I 62a_100011218688_100000210202 [1,1,0,0,0,0|2,0,0]=4 2818 B11R1.24 CCSCc1cccc(c1)O 62a_100000210202_100011660834 [1,1,0,0,0,0|2,0,0]=4 2819 B11R1.24 CCSCc1cccc(c1)O 62a_100011660834_100000210202 [1,1,0,0,0,0|2,0,0]=4 2820 B11R1.24 CNCCc1cccc(c1)Br 2230a_100011207229_200000210301 [1,1,0,0,0,0|2,0,0]=4 2821 B11R1.24 CNCCc1cccc(c1)Br 2230a_106832991635_100011740638 [1,1,0,0,0,0|2,0,0]=4 2822 B11R1.24 CNCCc1cccc(c1)Br 34a_100011207229_200000210301 [1,1,0,0,0,0|2,0,0]=4 2823 B11R1.24 CNCCc1cccc(c1)Br 34a_100102657272_100011740638 [1,1,0,0,0,0|2,0,0]=4 2824 B11R1.24 CNCCc1cccc(c1)Br 7a_106832991635_100011740638 [1,1,0,0,0,0|2,0,0]=4 2825 B11R1.24 CNCCc1cccc(c1)C 2230a_100000749837_200000210301 [1,1,0,0,0,0|2,0,0]=4 2826 B11R1.24 CNCCc1cccc(c1)C 2230a_106832991635_100011713685 [1,1,0,0,0,0|2,0,0]=4 2827 B11R1.24 CNCCc1cccc(c1)C 34a_100000749837_200000210301 [1,1,0,0,0,0|2,0,0]=4 2828 B11R1.24 CNCCc1cccc(c1)C 34a_100102657272_100011713685 [1,1,0,0,0,0|2,0,0]=4 2829 B11R1.24 CNCCc1cccc(c1)C 7a_106832991635_100011713685 [1,1,0,0,0,0|2,0,0]=4 2830 B11R1.24 CNCCc1cccc(c1)Cl 2230a_100000185263_200000210301 [1,1,0,0,0,0|2,0,0]=4 2831 B11R1.24 CNCCc1cccc(c1)Cl 2230a_106832991635_100011713710 [1,1,0,0,0,0|2,0,0]=4 2832 B11R1.24 CNCCc1cccc(c1)Cl 34a_100000185263_200000210301 [1,1,0,0,0,0|2,0,0]=4 2833 B11R1.24 CNCCc1cccc(c1)Cl 34a_100102657272_100011713710 [1,1,0,0,0,0|2,0,0]=4 2834 B11R1.24 CNCCc1cccc(c1)Cl 7a_106832991635_100011713710 [1,1,0,0,0,0|2,0,0]=4 2835 B11R1.24 CNCCc1cccc(c1)F 2230a_100000205154_200000210301 [1,1,0,0,0,0|2,0,0]=4 2836 B11R1.24 CNCCc1cccc(c1)F 2230a_106832991635_100011217235 [1,1,0,0,0,0|2,0,0]=4 2837 B11R1.24 CNCCc1cccc(c1)F 34a_100000205154_200000210301 [1,1,0,0,0,0|2,0,0]=4 2838 B11R1.24 CNCCc1cccc(c1)F 34a_100102657272_100011217235 [1,1,0,0,0,0|2,0,0]=4 2839 B11R1.24 CNCCc1cccc(c1)F 7a_106832991635_100011217235 [1,1,0,0,0,0|2,0,0]=4 2840 B11R1.24 CNCCc1cccc(c1)O 2230a_100000747277_200000210301 [1,1,0,0,0,0|2,0,0]=4 2841 B11R1.24 CNCCc1cccc(c1)O 34a_100000747277_200000210301 [1,1,0,0,0,0|2,0,0]=4 2842 B11R1.24 COCCc1cccc(c1)Br 34a_100011217444_200000210301 [1,1,0,0,0,0|2,0,0]=4 2843 B11R1.24 COCCc1cccc(c1)Br 34a_100138415774_100011740638 [1,1,0,0,0,0|2,0,0]=4 2844 B11R1.24 COCCc1cccc(c1)Br 7a_100011217444_200000210301 [1,1,0,0,0,0|2,0,0]=4 2845 B11R1.24 COCCc1cccc(c1)C 34a_100011217157_200000210301 [1,1,0,0,0,0|2,0,0]=4 2846 B11R1.24 COCCc1cccc(c1)C 34a_100138415774_100011713685 [1,1,0,0,0,0|2,0,0]=4 2847 B11R1.24 COCCc1cccc(c1)C 7a_100011217157_200000210301 [1,1,0,0,0,0|2,0,0]=4 2848 B11R1.24 COCCc1cccc(c1)Cl 34a_100000754733_200000210301 [1,1,0,0,0,0|2,0,0]=4 2849 B11R1.24 COCCc1cccc(c1)Cl 34a_100138415774_100011713710 [1,1,0,0,0,0|2,0,0]=4 2850 B11R1.24 COCCc1cccc(c1)Cl 7a_100000754733_200000210301 [1,1,0,0,0,0|2,0,0]=4 2851 B11R1.24 COCCc1cccc(c1)F 34a_100000763591_200000210301 [1,1,0,0,0,0|2,0,0]=4 2852 B11R1.24 COCCc1cccc(c1)F 34a_100138415774_100011217235 [1,1,0,0,0,0|2,0,0]=4 2853 B11R1.24 COCCc1cccc(c1)F 7a_100000763591_200000210301 [1,1,0,0,0,0|2,0,0]=4 2854 B11R1.24 COCCc1cccc(c1)N 34a_100011996697_200000210301 [1,1,0,0,0,0|2,0,0]=4 2855 B11R1.24 CSCCc1cccc(c1)Br 62a_100011740638_200000210301 [1,1,0,0,0,0|2,0,0]=4 2856 B11R1.24 CSCCc1cccc(c1)Br 62a_200000210301_100011740638 [1,1,0,0,0,0|2,0,0]=4 2857 B11R1.24 CSCCc1cccc(c1)C 62a_100011713685_200000210301 [1,1,0,0,0,0|2,0,0]=4 2858 B11R1.24 CSCCc1cccc(c1)C 62a_200000210301_100011713685 [1,1,0,0,0,0|2,0,0]=4 2859 B11R1.24 CSCCc1cccc(c1)Cl 62a_100011713710_200000210301 [1,1,0,0,0,0|2,0,0]=4 2860 B11R1.24 CSCCc1cccc(c1)Cl 62a_200000210301_100011713710 [1,1,0,0,0,0|2,0,0]=4 2861 B11R1.24 CSCCc1cccc(c1)F 62a_100011217235_200000210301 [1,1,0,0,0,0|2,0,0]=4 2862 B11R1.24 CSCCc1cccc(c1)F 62a_200000210301_100011217235 [1,1,0,0,0,0|2,0,0]=4 2863 B11R1.24 C[n+]1cccc(c1)SCCO 62a_100000211926_100009996589 [1,1,0,0,0,0|2,0,0]=4 2864 B11R1.24 C[n+]1cccc(c1)SCCO 62a_100009996589_100000211926 [1,1,0,0,0,0|2,0,0]=4 2865 B11R1.24 Cc1cc(ccn1)NCCO 27a_100000210304_100000758586 [1,1,0,0,0,0|2,0,0]=4 2866 B11R1.24 Cc1cc(ccn1)OCCO 34a_100000688365_100000211926 [1,1,0,0,0,0|2,0,0]=4 2867 B11R1.24 Cc1cc(ccn1)SCCO 62a_100000211926_100000758586 [1,1,0,0,0,0|2,0,0]=4 2868 B11R1.24 Cc1cc(ccn1)SCCO 62a_100000758586_100000211926 [1,1,0,0,0,0|2,0,0]=4 2869 B11R1.24 Cc1cccc(c1)CCN[13CH3] 2230a_100000749837_200025704644 [1,1,0,0,0,0|2,0,0]=4 2870 B11R1.24 Cc1cccc(c1)CCN[13CH3] 34a_100000749837_200025704644 [1,1,0,0,0,0|2,0,0]=4 2871 B11R1.24 Cc1cccc(c1)CCO[13CH3] 34a_100011217157_200025704644 [1,1,0,0,0,0|2,0,0]=4 2872 B11R1.24 Cc1cccc(c1)CCO[13CH3] 7a_100011217157_200025704644 [1,1,0,0,0,0|2,0,0]=4 2873 B11R1.24 Cc1cccc(c1)CCS[13CH3] 62a_100011713685_200025704644 [1,1,0,0,0,0|2,0,0]=4 2874 B11R1.24 Cc1cccc(c1)CCS[13CH3] 62a_200025704644_100011713685 [1,1,0,0,0,0|2,0,0]=4 2875 B11R1.24 Cc1cccc(c1)CNCF 34a_100000185548_100015361967 [1,1,0,0,0,0|2,0,0]=4 2876 B11R1.24 Cc1cccc(c1)COCF 34a_100011217746_100015361967 [1,1,0,0,0,0|2,0,0]=4 2877 B11R1.24 Cc1cccc(c1)COCF 7a_100011217746_100015361967 [1,1,0,0,0,0|2,0,0]=4 2878 B11R1.24 Cc1cccc(c1)CSCF 62a_100000211840_100015361967 [1,1,0,0,0,0|2,0,0]=4 2879 B11R1.24 Cc1cccc(c1)CSCF 62a_100015361967_100000211840 [1,1,0,0,0,0|2,0,0]=4 2880 B11R1.24 Cc1cccc(c1)NCCF 2230a_100000188690_100011217306 [1,1,0,0,0,0|2,0,0]=4 2881 B11R1.24 Cc1cccc(c1)NCCF 34a_100000188690_100011217306 [1,1,0,0,0,0|2,0,0]=4 2882 B11R1.24 Cc1cccc(c1)NCCO 2230a_100000188690_100000211926 [1,1,0,0,0,0|1,0,0]=3 2883 B11R1.24 Cc1cccc(c1)NCCO 34a_100000188690_100000211926 [1,1,0,0,0,0|1,0,0]=3 2884 B11R1.24 Cc1cccc(c1)OCCF 34a_100000210337_100011217306 [1,1,0,0,0,0|2,0,0]=4 2885 B11R1.24 Cc1cccc(c1)OCCF 7a_100000210337_100011217306 [1,1,0,0,0,0|2,0,0]=4 2886 B11R1.24 Cc1cccc(c1)OCCO 34a_100000210337_100000211926 [1,1,0,0,0,0|1,0,0]=3 2887 B11R1.24 Cc1cccc(c1)OCCO 7a_100000210337_100000211926 [1,1,0,0,0,0|1,0,0]=3 2888 B11R1.24 Cc1cccc(c1)SCCF 62a_100011215228_100011217306 [1,1,0,0,0,0|2,0,0]=4 2889 B11R1.24 Cc1cccc(c1)SCCF 62a_100011217306_100011215228 [1,1,0,0,0,0|2,0,0]=4 2890 B11R1.24 Cc1cccc(c1)SCCO 62a_100000211926_100011215228 [1,1,0,0,0,0|1,0,0]=3 2891 B11R1.24 Cc1cccc(c1)SCCO 62a_100011215228_100000211926 [1,1,0,0,0,0|1,0,0]=3 2892 B11R1.24 Cc1cccc(n1)SCCO 62a_100000211926_100000742759 [1,1,0,0,0,0|2,0,0]=4 2893 B11R1.24 Cc1cccc(n1)SCCO 62a_100000742759_100000211926 [1,1,0,0,0,0|2,0,0]=4 2894 B11R1.24 Cc1ccnc(c1)SCCO 62a_100000211926_100000750283 [1,1,0,0,0,0|2,0,0]=4 2895 B11R1.24 Cc1ccnc(c1)SCCO 62a_100000750283_100000211926 [1,1,0,0,0,0|2,0,0]=4 2896 B11R1.24 Cc1cncc(c1)OCCO 34a_100011830280_100000211926 [1,1,0,0,0,0|2,0,0]=4 2897 B11R1.24 Cc1cncc(c1)OCCO 7a_100011830280_100000211926 [1,1,0,0,0,0|2,0,0]=4 2898 B11R1.24 Cc1cncc(c1)SCCO 62a_100000211926_100000760492 [1,1,0,0,0,0|2,0,0]=4 2899 B11R1.24 Cc1cncc(c1)SCCO 62a_100000760492_100000211926 [1,1,0,0,0,0|2,0,0]=4 2900 B11R1.24 FCCNc1cccc(c1)Br 34a_100000210019_100011217306 [1,1,0,0,0,0|2,0,0]=4 2901 B11R1.24 FCCNc1cccc(c1)Cl 34a_100000185859_100011217306 [1,1,0,0,0,0|2,0,0]=4 2902 B11R1.24 FCCNc1cccc(c1)F 34a_100000210047_100011217306 [1,1,0,0,0,0|2,0,0]=4 2903 B11R1.24 FCCNc1cccc(c1)I 34a_100000211102_100011217306 [1,1,0,0,0,0|2,0,0]=4 2904 B11R1.24 FCCOc1cccc(c1)Br 34a_100000210342_100011217306 [1,1,0,0,0,0|2,0,0]=4 2905 B11R1.24 FCCOc1cccc(c1)Br 7a_100000210342_100011217306 [1,1,0,0,0,0|2,0,0]=4 2906 B11R1.24 FCCOc1cccc(c1)Cl 34a_100000210295_100011217306 [1,1,0,0,0,0|2,0,0]=4 2907 B11R1.24 FCCOc1cccc(c1)Cl 7a_100000210295_100011217306 [1,1,0,0,0,0|2,0,0]=4 2908 B11R1.24 FCCOc1cccc(c1)F 34a_100000210426_100011217306 [1,1,0,0,0,0|2,0,0]=4 2909 B11R1.24 FCCOc1cccc(c1)F 7a_100000210426_100011217306 [1,1,0,0,0,0|2,0,0]=4 2910 B11R1.24 FCCOc1cccc(c1)I 34a_100000211634_100011217306 [1,1,0,0,0,0|2,0,0]=4 2911 B11R1.24 FCCOc1cccc(c1)I 7a_100000211634_100011217306 [1,1,0,0,0,0|2,0,0]=4 2912 B11R1.24 FCCSc1cccc(c1)Br 62a_100000691529_100011217306 [1,1,0,0,0,0|2,0,0]=4 2913 B11R1.24 FCCSc1cccc(c1)Br 62a_100011217306_100000691529 [1,1,0,0,0,0|2,0,0]=4 2914 B11R1.24 FCCSc1cccc(c1)Cl 62a_100000699651_100011217306 [1,1,0,0,0,0|2,0,0]=4 2915 B11R1.24 FCCSc1cccc(c1)Cl 62a_100011217306_100000699651 [1,1,0,0,0,0|2,0,0]=4 2916 B11R1.24 FCCSc1cccc(c1)F 62a_100000685547_100011217306 [1,1,0,0,0,0|2,0,0]=4 2917 B11R1.24 FCCSc1cccc(c1)F 62a_100011217306_100000685547 [1,1,0,0,0,0|2,0,0]=4 2918 B11R1.24 FCCSc1cccc(c1)[S] 62a_100011217306_114929384022 [1,1,0,0,0,0|2,0,0]=4 2919 B11R1.24 FCCSc1cccc(c1)[S] 62a_114929384022_100011217306 [1,1,0,0,0,0|2,0,0]=4 2920 B11R1.24 FCNCc1cccc(c1)Br 34a_100000174977_100015361967 [1,1,0,0,0,0|2,0,0]=4 2921 B11R1.24 FCNCc1cccc(c1)Cl 34a_100000174878_100015361967 [1,1,0,0,0,0|2,0,0]=4 2922 B11R1.24 FCNCc1cccc(c1)F 34a_100000174948_100015361967 [1,1,0,0,0,0|2,0,0]=4 2923 B11R1.24 FCNCc1cccc(c1)I 34a_100000106179_100015361967 [1,1,0,0,0,0|2,0,0]=4 2924 B11R1.24 FCOCc1cccc(c1)Br 34a_100000687537_100015361967 [1,1,0,0,0,0|2,0,0]=4 2925 B11R1.24 FCOCc1cccc(c1)Br 7a_100000687537_100015361967 [1,1,0,0,0,0|2,0,0]=4 2926 B11R1.24 FCOCc1cccc(c1)Cl 34a_100000241301_100015361967 [1,1,0,0,0,0|2,0,0]=4 2927 B11R1.24 FCOCc1cccc(c1)Cl 7a_100000241301_100015361967 [1,1,0,0,0,0|2,0,0]=4 2928 B11R1.24 FCOCc1cccc(c1)F 34a_100000210976_100015361967 [1,1,0,0,0,0|2,0,0]=4 2929 B11R1.24 FCOCc1cccc(c1)F 7a_100000210976_100015361967 [1,1,0,0,0,0|2,0,0]=4 2930 B11R1.24 FCOCc1cccc(c1)I 34a_100011215336_100015361967 [1,1,0,0,0,0|2,0,0]=4 2931 B11R1.24 FCOCc1cccc(c1)I 7a_100011215336_100015361967 [1,1,0,0,0,0|2,0,0]=4 2932 B11R1.24 FCSCc1cccc(c1)Br 62a_100000211773_100015361967 [1,1,0,0,0,0|2,0,0]=4 2933 B11R1.24 FCSCc1cccc(c1)Br 62a_100015361967_100000211773 [1,1,0,0,0,0|2,0,0]=4 2934 B11R1.24 FCSCc1cccc(c1)Cl 62a_100000187163_100015361967 [1,1,0,0,0,0|2,0,0]=4 2935 B11R1.24 FCSCc1cccc(c1)Cl 62a_100015361967_100000187163 [1,1,0,0,0,0|2,0,0]=4 2936 B11R1.24 FCSCc1cccc(c1)F 62a_100000230114_100015361967 [1,1,0,0,0,0|2,0,0]=4 2937 B11R1.24 FCSCc1cccc(c1)F 62a_100015361967_100000230114 [1,1,0,0,0,0|2,0,0]=4 2938 B11R1.24 FCSCc1cccc(c1)I 62a_100011218688_100015361967 [1,1,0,0,0,0|2,0,0]=4 2939 B11R1.24 FCSCc1cccc(c1)I 62a_100015361967_100011218688 [1,1,0,0,0,0|2,0,0]=4 2940 B11R1.24 N#CCCc1cccc(c1)O 271570a_203496583355_100011219771 [1,1,0,0,0,0|1,0,1]=4 2941 B11R1.24 NCCCc1cccc(c1)O 271570a_203496583355_100000753791 [1,1,0,0,0,0|1,0,0]=3 2942 B11R1.24 NCCOc1cccc(c1)O 271570a_203496583355_100000743521 [1,1,0,0,0,0|2,0,0]=4 2943 B11R1.24 Nc1cc(ccn1)OCCO 34a_100011834064_100000211926 [1,1,0,0,0,0|2,0,0]=4 2944 B11R1.24 Nc1cc(ccn1)SCCO 62a_100000049665_100000211926 [1,1,0,0,0,0|2,0,0]=4 2945 B11R1.24 Nc1cc(ccn1)SCCO 62a_100000211926_100000049665 [1,1,0,0,0,0|2,0,0]=4 2946 B11R1.24 Nc1cccc(c1)COCF 34a_100000211919_100015361967 [1,1,0,0,0,0|2,0,0]=4 2947 B11R1.24 Nc1cccc(c1)OCCF 34a_100000210217_100011217306 [1,1,0,0,0,0|2,0,0]=4 2948 B11R1.24 Nc1cccc(c1)OCCO 34a_100000210217_100000211926 [1,1,0,0,0,0|1,0,0]=3 2949 B11R1.24 Nc1cccc(c1)SCCF 62a_100000210019_100011217306 [1,1,0,0,0,0|2,0,0]=4 2950 B11R1.24 Nc1cccc(c1)SCCF 62a_100011217306_100000210019 [1,1,0,0,0,0|2,0,0]=4 2951 B11R1.24 Nc1cccc(c1)SCCO 62a_100000210019_100000211926 [1,1,0,0,0,0|1,0,0]=3 2952 B11R1.24 Nc1cccc(c1)SCCO 62a_100000211926_100000210019 [1,1,0,0,0,0|1,0,0]=3 2953 B11R1.24 Nc1cccc(n1)SCCO 62a_100000211926_100000740741 [1,1,0,0,0,0|2,0,0]=4 2954 B11R1.24 Nc1cccc(n1)SCCO 62a_100000740741_100000211926 [1,1,0,0,0,0|2,0,0]=4 2955 B11R1.24 Nc1ccnc(c1)SCCO 62a_100000211926_100009814236 [1,1,0,0,0,0|2,0,0]=4 2956 B11R1.24 Nc1ccnc(c1)SCCO 62a_100009814236_100000211926 [1,1,0,0,0,0|2,0,0]=4 2957 B11R1.24 Nc1cncc(c1)OCCO 34a_100011997051_100000211926 [1,1,0,0,0,0|2,0,0]=4 2958 B11R1.24 Nc1cncc(c1)SCCO 62a_100000211926_100000687067 [1,1,0,0,0,0|2,0,0]=4 2959 B11R1.24 Nc1cncc(c1)SCCO 62a_100000687067_100000211926 [1,1,0,0,0,0|2,0,0]=4 2960 B11R1.24 O=c1cc(cc[nH]1)NCCO 27a_100000210304_100000061649 [1,1,0,0,0,0|2,0,0]=4 2961 B11R1.24 O=c1cc(cc[nH]1)OCCO 34a_100000032262_100000211926 [1,1,0,0,0,0|2,0,0]=4 2962 B11R1.24 O=c1cc(cc[nH]1)SCCO 62a_100000211926_100009816521 [1,1,0,0,0,0|2,0,0]=4 2963 B11R1.24 O=c1cc(cc[nH]1)SCCO 62a_100009816521_100000211926 [1,1,0,0,0,0|2,0,0]=4 2964 B11R1.24 O=c1cc[nH]c(c1)SCCO 62a_100009817434_100000211926 [1,1,0,0,0,0|2,0,0]=4 2965 B11R1.24 O=c1cccc([nH]1)OCCO 34a_100000033347_100000211926 [1,1,0,0,0,0|2,0,0]=4 2966 B11R1.24 O=c1cccc([nH]1)SCCO 62a_100000211926_100000752884 [1,1,0,0,0,0|2,0,0]=4 2967 B11R1.24 OCC#Cc1cccc(c1)O 271570a_203496583355_100009814051 [1,1,0,0,0,0|0,0,2]=4 2968 B11R1.24 OCCCc1cccc(c1)O 271570a_203496583355_100011709248 [1,1,0,0,0,0|0,0,0]=2 2969 B11R1.24 OCCNc1cc(ccn1)F 27a_100000210304_100000764206 [1,1,0,0,0,0|2,0,0]=4 2970 B11R1.24 OCCNc1cccc(c1)Br 34a_100000210019_100000211926 [1,1,0,0,0,0|1,0,0]=3 2971 B11R1.24 OCCNc1cccc(c1)Cl 34a_100000185859_100000211926 [1,1,0,0,0,0|1,0,0]=3 2972 B11R1.24 OCCNc1cccc(c1)F 34a_100000210047_100000211926 [1,1,0,0,0,0|1,0,0]=3 2973 B11R1.24 OCCNc1cccc(c1)I 34a_100000211102_100000211926 [1,1,0,0,0,0|1,0,0]=3 2974 B11R1.24 OCCNc1cccc(c1)O 34a_100000210217_100000211926 [1,1,0,0,0,0|1,0,0]=3 2975 B11R1.24 OCCNc1cccc(n1)F 27a_100000210304_100009815982 [1,1,0,0,0,0|2,0,0]=4 2976 B11R1.24 OCCNc1cccc(n1)O 271570a_203496583355_200011880208 [1,1,0,0,0,0|2,0,0]=4 2977 B11R1.24 OCCNc1ccnc(c1)F 27a_100000210304_100009816116 [1,1,0,0,0,0|2,0,0]=4 2978 B11R1.24 OCCOc1cccc(c1)Br 34a_100000210342_100000211926 [1,1,0,0,0,0|1,0,0]=3 2979 B11R1.24 OCCOc1cccc(c1)Br 7a_100000210342_100000211926 [1,1,0,0,0,0|1,0,0]=3 2980 B11R1.24 OCCOc1cccc(c1)Cl 34a_100000210295_100000211926 [1,1,0,0,0,0|1,0,0]=3 2981 B11R1.24 OCCOc1cccc(c1)Cl 7a_100000210295_100000211926 [1,1,0,0,0,0|1,0,0]=3 2982 B11R1.24 OCCOc1cccc(c1)F 34a_100000210426_100000211926 [1,1,0,0,0,0|1,0,0]=3 2983 B11R1.24 OCCOc1cccc(c1)F 7a_100000210426_100000211926 [1,1,0,0,0,0|1,0,0]=3 2984 B11R1.24 OCCOc1cccc(c1)I 34a_100000211634_100000211926 [1,1,0,0,0,0|1,0,0]=3 2985 B11R1.24 OCCOc1cccc(c1)I 7a_100000211634_100000211926 [1,1,0,0,0,0|1,0,0]=3 2986 B11R1.24 OCCOc1cccc(c1)O 271570a_203496583355_100000757546 [1,1,0,0,0,0|1,0,0]=3 2987 B11R1.24 OCCOc1cccc(n1)F 34a_100011432558_100000211926 [1,1,0,0,0,0|2,0,0]=4 2988 B11R1.24 OCCOc1ccnc(c1)Cl 34a_100000762945_100000211926 [1,1,0,0,0,0|2,0,0]=4 2989 B11R1.24 OCCOc1ccnc(c1)F 34a_100000732698_100000211926 [1,1,0,0,0,0|2,0,0]=4 2990 B11R1.24 OCCOc1cncc(c1)Br 34a_100000754920_100000211926 [1,1,0,0,0,0|2,0,0]=4 2991 B11R1.24 OCCOc1cncc(c1)Br 7a_100000754920_100000211926 [1,1,0,0,0,0|2,0,0]=4 2992 B11R1.24 OCCOc1cncc(c1)Cl 7a_100000032511_100000211926 [1,1,0,0,0,0|2,0,0]=4 2993 B11R1.24 OCCOc1cncc(c1)F 34a_100011830296_100000211926 [1,1,0,0,0,0|2,0,0]=4 2994 B11R1.24 OCCOc1cncc(c1)F 7a_100011830296_100000211926 [1,1,0,0,0,0|2,0,0]=4 2995 B11R1.24 OCCSc1cc(ccn1)Cl 62a_100000211926_100010167805 [1,1,0,0,0,0|2,0,0]=4 2996 B11R1.24 OCCSc1cc(ccn1)Cl 62a_100010167805_100000211926 [1,1,0,0,0,0|2,0,0]=4 2997 B11R1.24 OCCSc1cc(ccn1)F 62a_100000211926_100000764206 [1,1,0,0,0,0|2,0,0]=4 2998 B11R1.24 OCCSc1cc(ccn1)F 62a_100000764206_100000211926 [1,1,0,0,0,0|2,0,0]=4 2999 B11R1.24 OCCSc1cc(ccn1)O 62a_100000211926_100000762945 [1,1,0,0,0,0|2,0,0]=4 3000 B11R1.24 OCCSc1cccc(c1)Br 62a_100000211926_100000691529 [1,1,0,0,0,0|1,0,0]=3 3001 B11R1.24 OCCSc1cccc(c1)Br 62a_100000691529_100000211926 [1,1,0,0,0,0|1,0,0]=3 3002 B11R1.24 OCCSc1cccc(c1)Cl 62a_100000211926_100000699651 [1,1,0,0,0,0|1,0,0]=3 3003 B11R1.24 OCCSc1cccc(c1)Cl 62a_100000699651_100000211926 [1,1,0,0,0,0|1,0,0]=3 3004 B11R1.24 OCCSc1cccc(c1)F 62a_100000211926_100000685547 [1,1,0,0,0,0|1,0,0]=3 3005 B11R1.24 OCCSc1cccc(c1)F 62a_100000685547_100000211926 [1,1,0,0,0,0|1,0,0]=3 3006 B11R1.24 OCCSc1cccc(c1)O 271570a_203496583355_200011756134 [1,1,0,0,0,0|1,0,0]=3 3007 B11R1.24 OCCSc1cccc(c1)O 62a_100000211926_100000211634 [1,1,0,0,0,0|1,0,0]=3 3008 B11R1.24 OCCSc1cccc(c1)[S] 62a_100000211926_114929384022 [1,1,0,0,0,0|1,0,0]=3 3009 B11R1.24 OCCSc1cccc(c1)[S] 62a_114929384022_100000211926 [1,1,0,0,0,0|1,0,0]=3 3010 B11R1.24 OCCSc1cccc(n1)Br 62a_100000211926_100000684672 [1,1,0,0,0,0|2,0,0]=4 3011 B11R1.24 OCCSc1cccc(n1)Br 62a_100000684672_100000211926 [1,1,0,0,0,0|2,0,0]=4 3012 B11R1.24 OCCSc1cccc(n1)Cl 62a_100000051397_100000211926 [1,1,0,0,0,0|2,0,0]=4 3013 B11R1.24 OCCSc1cccc(n1)Cl 62a_100000211926_100000051397 [1,1,0,0,0,0|2,0,0]=4 3014 B11R1.24 OCCSc1cccc(n1)F 62a_100000211926_100009815982 [1,1,0,0,0,0|2,0,0]=4 3015 B11R1.24 OCCSc1cccc(n1)F 62a_100009815982_100000211926 [1,1,0,0,0,0|2,0,0]=4 3016 B11R1.24 OCCSc1ccnc(c1)Br 62a_100000211926_100009814637 [1,1,0,0,0,0|2,0,0]=4 3017 B11R1.24 OCCSc1ccnc(c1)Br 62a_100009814637_100000211926 [1,1,0,0,0,0|2,0,0]=4 3018 B11R1.24 OCCSc1ccnc(c1)Cl 62a_100000035001_100000211926 [1,1,0,0,0,0|2,0,0]=4 3019 B11R1.24 OCCSc1ccnc(c1)Cl 62a_100000211926_100000035001 [1,1,0,0,0,0|2,0,0]=4 3020 B11R1.24 OCCSc1ccnc(c1)F 62a_100000211926_100009816116 [1,1,0,0,0,0|2,0,0]=4 3021 B11R1.24 OCCSc1ccnc(c1)F 62a_100009816116_100000211926 [1,1,0,0,0,0|2,0,0]=4 3022 B11R1.24 OCCSc1cncc(c1)Br 62a_100000211926_100000728054 [1,1,0,0,0,0|2,0,0]=4 3023 B11R1.24 OCCSc1cncc(c1)Br 62a_100000728054_100000211926 [1,1,0,0,0,0|2,0,0]=4 3024 B11R1.24 OCCSc1cncc(c1)Cl 62a_100000049639_100000211926 [1,1,0,0,0,0|2,0,0]=4 3025 B11R1.24 OCCSc1cncc(c1)Cl 62a_100000211926_100000049639 [1,1,0,0,0,0|2,0,0]=4 3026 B11R1.24 OCCSc1cncc(c1)F 62a_100000211926_100000744099 [1,1,0,0,0,0|2,0,0]=4 3027 B11R1.24 OCCSc1cncc(c1)F 62a_100000744099_100000211926 [1,1,0,0,0,0|2,0,0]=4 3028 B11R1.24 OCCSc1cncc(c1)O 62a_100000211926_100000754920 [1,1,0,0,0,0|2,0,0]=4 3029 B11R1.24 OCCSc1cncc(c1)O 62a_100000754920_100000211926 [1,1,0,0,0,0|2,0,0]=4 3030 B11R1.24 Oc1cccc(c1)CNCF 34a_100000743036_100015361967 [1,1,0,0,0,0|2,0,0]=4 3031 B11R1.24 Oc1cccc(c1)CSCF 62a_100011660834_100015361967 [1,1,0,0,0,0|2,0,0]=4 3032 B11R1.24 Oc1cccc(c1)CSCF 62a_100015361967_100011660834 [1,1,0,0,0,0|2,0,0]=4 3033 B11R1.24 Oc1cccc(c1)NCCF 34a_100000210217_100011217306 [1,1,0,0,0,0|2,0,0]=4 3034 B11R1.24 Oc1cccc(c1)SCCF 62a_100011217306_100000211634 [1,1,0,0,0,0|2,0,0]=4 3035 B11R1.24 [13CH3]NCCc1cccc(c1)Br 2230a_100011207229_200025704644 [1,1,0,0,0,0|2,0,0]=4 3036 B11R1.24 [13CH3]NCCc1cccc(c1)Br 34a_100011207229_200025704644 [1,1,0,0,0,0|2,0,0]=4 3037 B11R1.24 [13CH3]NCCc1cccc(c1)Cl 2230a_100000185263_200025704644 [1,1,0,0,0,0|2,0,0]=4 3038 B11R1.24 [13CH3]NCCc1cccc(c1)Cl 34a_100000185263_200025704644 [1,1,0,0,0,0|2,0,0]=4 3039 B11R1.24 [13CH3]NCCc1cccc(c1)F 2230a_100000205154_200025704644 [1,1,0,0,0,0|2,0,0]=4 3040 B11R1.24 [13CH3]NCCc1cccc(c1)F 34a_100000205154_200025704644 [1,1,0,0,0,0|2,0,0]=4 3041 B11R1.24 [13CH3]NCCc1cccc(c1)O 2230a_100000747277_200025704644 [1,1,0,0,0,0|2,0,0]=4 3042 B11R1.24 [13CH3]NCCc1cccc(c1)O 34a_100000747277_200025704644 [1,1,0,0,0,0|2,0,0]=4 3043 B11R1.24 [13CH3]OCCc1cccc(c1)Br 34a_100011217444_200025704644 [1,1,0,0,0,0|2,0,0]=4 3044 B11R1.24 [13CH3]OCCc1cccc(c1)Br 7a_100011217444_200025704644 [1,1,0,0,0,0|2,0,0]=4 3045 B11R1.24 [13CH3]OCCc1cccc(c1)Cl 34a_100000754733_200025704644 [1,1,0,0,0,0|2,0,0]=4 3046 B11R1.24 [13CH3]OCCc1cccc(c1)Cl 7a_100000754733_200025704644 [1,1,0,0,0,0|2,0,0]=4 3047 B11R1.24 [13CH3]OCCc1cccc(c1)F 34a_100000763591_200025704644 [1,1,0,0,0,0|2,0,0]=4 3048 B11R1.24 [13CH3]OCCc1cccc(c1)F 7a_100000763591_200025704644 [1,1,0,0,0,0|2,0,0]=4 3049 B11R1.24 [13CH3]OCCc1cccc(c1)N 34a_100011996697_200025704644 [1,1,0,0,0,0|2,0,0]=4 3050 B11R1.24 [13CH3]SCCc1cccc(c1)Br 62a_100011740638_200025704644 [1,1,0,0,0,0|2,0,0]=4 3051 B11R1.24 [13CH3]SCCc1cccc(c1)Br 62a_200025704644_100011740638 [1,1,0,0,0,0|2,0,0]=4 3052 B11R1.24 [13CH3]SCCc1cccc(c1)Cl 62a_100011713710_200025704644 [1,1,0,0,0,0|2,0,0]=4 3053 B11R1.24 [13CH3]SCCc1cccc(c1)Cl 62a_200025704644_100011713710 [1,1,0,0,0,0|2,0,0]=4 3054 B11R1.24 [13CH3]SCCc1cccc(c1)F 62a_100011217235_200025704644 [1,1,0,0,0,0|2,0,0]=4 3055 B11R1.24 [13CH3]SCCc1cccc(c1)F 62a_200025704644_100011217235 [1,1,0,0,0,0|2,0,0]=4 3056 B11R1.24 [O-][n+]1cccc(c1)OCCO 34a_100000039713_100000211926 [1,1,0,0,0,0|2,0,0]=4 3057 B11R1.24 [O-][n+]1cccc(c1)OCCO 7a_100000039713_100000211926 [1,1,0,0,0,0|2,0,0]=4 3058 B11R1.24 [O-][n+]1cccc(c1)SCCO 62a_100000211926_100009815978 [1,1,0,0,0,0|2,0,0]=4 3059 B11R1.28 BrCCOCc1ccccc1 34a_100000211926_100015291786 [1,1,0,0,0,0|1,0,0]=3 3060 B11R1.28 BrCCOCc1ccccn1 34a_100000211926_100000721315 [1,1,0,0,0,0|2,0,0]=4 3061 B11R1.28 BrCCOCc1cccnc1 34a_100000211926_100000733263 [1,1,0,0,0,0|2,0,0]=4 3062 B11R1.28 C#CCCNc1ccccc1 34a_100000106764_100000688953 [1,1,0,0,0,0|1,0,1]=4 3063 B11R1.28 C#CCCOc1ccccc1 34a_100000210340_100000688953 [1,1,0,0,0,0|1,0,1]=4 3064 B11R1.28 C#CCCOc1ccccc1 7a_100000210340_100000688953 [1,1,0,0,0,0|1,0,1]=4 3065 B11R1.28 C#CCCSc1ccccc1 62a_100000688953_100000041952 [1,1,0,0,0,0|1,0,1]=4 3066 B11R1.28 C#CCCSc1ccccc1 62a_100000719477_100000688953 [1,1,0,0,0,0|1,0,1]=4 3067 B11R1.28 C#CCNCc1ccccc1 2230a_100015324214_100000038162 [1,1,0,0,0,0|1,0,1]=4 3068 B11R1.28 C#CCNCc1ccccc1 34a_100000212058_100015291786 [1,1,0,0,0,0|1,0,1]=4 3069 B11R1.28 C#CCNCc1ccccc1 34a_100015324214_100000184674 [1,1,0,0,0,0|1,0,1]=4 3070 B11R1.28 C#CCOCc1ccccc1 34a_100000210247_100015291786 [1,1,0,0,0,0|1,0,1]=4 3071 B11R1.28 C#CCOCc1ccccc1 34a_100000210790_100000184674 [1,1,0,0,0,0|1,0,1]=4 3072 B11R1.28 C#CCOCc1ccccc1 7a_100000210790_100000038162 [1,1,0,0,0,0|1,0,1]=4 3073 B11R1.28 C#CCSCc1ccccc1 62a_100000038162_100015291786 [1,1,0,0,0,0|1,0,1]=4 3074 B11R1.28 C=CCCNc1ccccc1 34a_100000106764_100000754431 [1,1,0,0,0,0|1,0,1]=4 3075 B11R1.28 C=CCCOc1ccccc1 34a_100000210340_100000754431 [1,1,0,0,0,0|1,0,1]=4 3076 B11R1.28 C=CCCOc1ccccc1 7a_100000210340_100000754431 [1,1,0,0,0,0|1,0,1]=4 3077 B11R1.28 C=CCCSc1ccccc1 62a_100000719477_100000754431 [1,1,0,0,0,0|1,0,1]=4 3078 B11R1.28 C=CCCSc1ccccc1 62a_100000754431_100000041952 [1,1,0,0,0,0|1,0,1]=4 3079 B11R1.28 C=CCNCc1ccccc1 2230a_100015324214_100000210623 [1,1,0,0,0,0|1,0,1]=4 3080 B11R1.28 C=CCNCc1ccccc1 2230a_100020586998_100015291786 [1,1,0,0,0,0|1,0,1]=4 3081 B11R1.28 C=CCNCc1ccccc1 270004a_100020586998_100015611070 [1,1,0,0,0,0|1,0,1]=4 3082 B11R1.28 C=CCNCc1ccccc1 34a_100015324214_100015514636 [1,1,0,0,0,0|1,0,1]=4 3083 B11R1.28 C=CCOCc1ccccc1 34a_100000210790_100015514636 [1,1,0,0,0,0|1,0,1]=4 3084 B11R1.28 C=CCOCc1ccccc1 34a_200000210373_100015291786 [1,1,0,0,0,0|1,0,1]=4 3085 B11R1.28 C=CCOCc1ccccc1 7a_100000210790_100015514636 [1,1,0,0,0,0|1,0,1]=4 3086 B11R1.28 C=CCSCc1ccccc1 62a_100000210623_100015291786 [1,1,0,0,0,0|1,0,1]=4 3087 B11R1.28 C=CCSCc1ccccc1 62a_100000211182_100000210623 [1,1,0,0,0,0|1,0,1]=4 3088 B11R1.28 CCCC=Cc1ccccc1 271570a_100016258520_100000210277 [1,1,0,0,0,0|1,0,1]=4 3089 B11R1.28 CCCCNc1ccccc1 34a_100000106764_100000210210 [1,1,0,0,0,0|1,0,0]=3 3090 B11R1.28 CCCCOc1ccccc1 34a_100000210340_100000210210 [1,1,0,0,0,0|1,0,0]=3 3091 B11R1.28 CCCCOc1ccccc1 7a_100000210340_100000210211 [1,1,0,0,0,0|1,0,0]=3 3092 B11R1.28 CCCCOc1cccnc1 34a_100000210849_100000210210 [1,1,0,0,0,0|2,0,0]=4 3093 B11R1.28 CCCCOc1cccnc1 7a_100000210849_100000210211 [1,1,0,0,0,0|2,0,0]=4 3094 B11R1.28 CCCCOc1ccncc1 34a_100000212176_100000210210 [1,1,0,0,0,0|2,0,0]=4 3095 B11R1.28 CCCCSc1ccccc1 62a_100000210211_100000041952 [1,1,0,0,0,0|1,0,0]=3 3096 B11R1.28 CCCCSc1ccccc1 62a_100000719477_100000210210 [1,1,0,0,0,0|1,0,0]=3 3097 B11R1.28 CCCCSc1ccccn1 62a_100000210211_100011216584 [1,1,0,0,0,0|2,0,0]=4 3098 B11R1.28 CCCCSc1ccccn1 62a_100011216584_100000210210 [1,1,0,0,0,0|2,0,0]=4 3099 B11R1.28 CCCCSc1cccnc1 62a_100000210063_100000210210 [1,1,0,0,0,0|2,0,0]=4 3100 B11R1.28 CCCCSc1cccnc1 62a_100000210211_100000210063 [1,1,0,0,0,0|2,0,0]=4 3101 B11R1.28 CCCCSc1ccncc1 62a_100000210211_100000728582 [1,1,0,0,0,0|2,0,0]=4 3102 B11R1.28 CCCCSc1ccncc1 62a_100000728582_100000210210 [1,1,0,0,0,0|2,0,0]=4 3103 B11R1.28 CCCNCc1ccccc1 207a_100020643023_100015611070 [1,1,0,0,0,0|1,0,0]=3 3104 B11R1.28 CCCNCc1ccccc1 2230a_100015324214_100000210303 [1,1,0,0,0,0|1,0,0]=3 3105 B11R1.28 CCCNCc1ccccc1 270004a_100020643023_100015611070 [1,1,0,0,0,0|1,0,0]=3 3106 B11R1.28 CCCNCc1ccccc1 34a_100015324214_100000210303 [1,1,0,0,0,0|1,0,0]=3 3107 B11R1.28 CCCNCc1ccccn1 207a_100020643023_100000209966 [1,1,0,0,0,0|2,0,0]=4 3108 B11R1.28 CCCNCc1ccccn1 270004a_100020643023_100000209966 [1,1,0,0,0,0|2,0,0]=4 3109 B11R1.28 CCCNCc1cccnc1 207a_100020643023_100000209961 [1,1,0,0,0,0|2,0,0]=4 3110 B11R1.28 CCCNCc1cccnc1 270004a_100020643023_100000209961 [1,1,0,0,0,0|2,0,0]=4 3111 B11R1.28 CCCNCc1ccncc1 207a_100020643023_100000186114 [1,1,0,0,0,0|2,0,0]=4 3112 B11R1.28 CCCOCc1ccccc1 34a_100000210258_100015291786 [1,1,0,0,0,0|1,0,0]=3 3113 B11R1.28 CCCOCc1ccccc1 34a_100000210790_100000210303 [1,1,0,0,0,0|1,0,0]=3 3114 B11R1.28 CCCOCc1ccccc1 7a_100000210790_100000210303 [1,1,0,0,0,0|1,0,0]=3 3115 B11R1.28 CCCOCc1ccccn1 34a_100000210258_100000721315 [1,1,0,0,0,0|2,0,0]=4 3116 B11R1.28 CCCOCc1cccnc1 34a_100000210258_100000733263 [1,1,0,0,0,0|2,0,0]=4 3117 B11R1.28 CCCSCc1ccccc1 62a_100000210303_100015291786 [1,1,0,0,0,0|1,0,0]=3 3118 B11R1.28 CCCSCc1ccccc1 62a_100000211182_100000210303 [1,1,0,0,0,0|1,0,0]=3 3119 B11R1.28 CCCSCc1ccccn1 62a_100000210303_100000721315 [1,1,0,0,0,0|2,0,0]=4 3120 B11R1.28 CCCSCc1ccccn1 62a_100000721315_100000210303 [1,1,0,0,0,0|2,0,0]=4 3121 B11R1.28 CCCSCc1cccnc1 62a_100000210303_100000741622 [1,1,0,0,0,0|2,0,0]=4 3122 B11R1.28 CCCSCc1cccnc1 62a_100000741622_100000210303 [1,1,0,0,0,0|2,0,0]=4 3123 B11R1.28 CCCSCc1ccncc1 62a_100000210303_100015193705 [1,1,0,0,0,0|2,0,0]=4 3124 B11R1.28 CCCSCc1ccncc1 62a_100015193705_100000210303 [1,1,0,0,0,0|2,0,0]=4 3125 B11R1.28 CCNCCc1ccccc1 2230a_100000106460_100000210202 [1,1,0,0,0,0|1,0,0]=3 3126 B11R1.28 CCNCCc1ccccc1 2230a_100015525214_100000765856 [1,1,0,0,0,0|1,0,0]=3 3127 B11R1.28 CCNCCc1ccccc1 34a_100000106460_100000210202 [1,1,0,0,0,0|1,0,0]=3 3128 B11R1.28 CCNCCc1ccccn1 2230a_100015525214_100015183660 [1,1,0,0,0,0|2,0,0]=4 3129 B11R1.28 CCNCCc1cccnc1 2230a_100000736294_100000210202 [1,1,0,0,0,0|2,0,0]=4 3130 B11R1.28 CCNCCc1cccnc1 2230a_100015525214_200011713674 [1,1,0,0,0,0|2,0,0]=4 3131 B11R1.28 CCNCCc1ccncc1 2230a_100015525214_100000723409 [1,1,0,0,0,0|2,0,0]=4 3132 B11R1.28 CCNCSc1ccccc1 2230a_100015525214_100011218342 [1,1,0,0,0,0|2,0,0]=4 3133 B11R1.28 CCOCCc1ccccc1 34a_100000210268_100000210202 [1,1,0,0,0,0|1,0,0]=3 3134 B11R1.28 CCOCCc1ccccc1 34a_100121572206_100000765856 [1,1,0,0,0,0|1,0,0]=3 3135 B11R1.28 CCOCCc1ccccc1 7a_100000210268_100000210202 [1,1,0,0,0,0|1,0,0]=3 3136 B11R1.28 CCOCCc1ccccn1 34a_100000210271_100000210202 [1,1,0,0,0,0|2,0,0]=4 3137 B11R1.28 CCOCCc1cccnc1 34a_100011217484_100000210202 [1,1,0,0,0,0|2,0,0]=4 3138 B11R1.28 CCOCCc1ccncc1 34a_100011216225_100000210202 [1,1,0,0,0,0|2,0,0]=4 3139 B11R1.28 CCOCSc1ccccc1 62a_100000719477_100000739092 [1,1,0,0,0,0|2,0,0]=4 3140 B11R1.28 CCOCSc1ccccc1 62a_100000739092_100000041952 [1,1,0,0,0,0|2,0,0]=4 3141 B11R1.28 CCSCCc1ccccc1 62a_100000210202_100011218657 [1,1,0,0,0,0|1,0,0]=3 3142 B11R1.28 CCSCCc1ccccc1 62a_100000765856_100000210202 [1,1,0,0,0,0|1,0,0]=3 3143 B11R1.28 CCSCCc1ccccn1 62a_100000210202_100015183660 [1,1,0,0,0,0|2,0,0]=4 3144 B11R1.28 CCSCCc1ccccn1 62a_100015183660_100000210202 [1,1,0,0,0,0|2,0,0]=4 3145 B11R1.28 CCSCCc1cccnc1 62a_100000210202_200011713674 [1,1,0,0,0,0|2,0,0]=4 3146 B11R1.28 CCSCCc1cccnc1 62a_200011713674_100000210202 [1,1,0,0,0,0|2,0,0]=4 3147 B11R1.28 CCSCCc1ccncc1 62a_100000210202_100000723409 [1,1,0,0,0,0|2,0,0]=4 3148 B11R1.28 CCSCCc1ccncc1 62a_100000723409_100000210202 [1,1,0,0,0,0|2,0,0]=4 3149 B11R1.28 CCSCSc1ccccc1 62a_100000210202_100011218342 [1,1,0,0,0,0|2,0,0]=4 3150 B11R1.28 CCSCSc1ccccc1 62a_100011218342_100000210202 [1,1,0,0,0,0|2,0,0]=4 3151 B11R1.28 CNCCCc1ccccc1 2230a_100000211184_200000210301 [1,1,0,0,0,0|1,0,0]=3 3152 B11R1.28 CNCCCc1ccccc1 2230a_106832991635_100000211621 [1,1,0,0,0,0|1,0,0]=3 3153 B11R1.28 CNCCCc1ccccc1 34a_100000211184_200000210301 [1,1,0,0,0,0|1,0,0]=3 3154 B11R1.28 CNCCCc1ccccc1 34a_100102657272_100000211621 [1,1,0,0,0,0|1,0,0]=3 3155 B11R1.28 CNCCCc1ccccc1 7a_106832991635_100000211621 [1,1,0,0,0,0|1,0,0]=3 3156 B11R1.28 CNCCCc1cccnc1 2230a_100011532358_200000210301 [1,1,0,0,0,0|2,0,0]=4 3157 B11R1.28 CNCCCc1cccnc1 34a_100011532358_200000210301 [1,1,0,0,0,0|2,0,0]=4 3158 B11R1.28 CNCCCc1ccncc1 2230a_100011275580_200000210301 [1,1,0,0,0,0|2,0,0]=4 3159 B11R1.28 CNCCOc1ccccc1 2230a_100000174943_200000210301 [1,1,0,0,0,0|2,0,0]=4 3160 B11R1.28 CNCCOc1ccccc1 2230a_106832991635_100000184471 [1,1,0,0,0,0|2,0,0]=4 3161 B11R1.28 CNCCOc1ccccc1 270004a_106832991635_100000758736 [1,1,0,0,0,0|2,0,0]=4 3162 B11R1.28 CNCCOc1ccccc1 34a_100000174943_200000210301 [1,1,0,0,0,0|2,0,0]=4 3163 B11R1.28 CNCCOc1ccccc1 34a_100102657272_100000184471 [1,1,0,0,0,0|2,0,0]=4 3164 B11R1.28 CNCCOc1ccccc1 7a_106832991635_100000184471 [1,1,0,0,0,0|2,0,0]=4 3165 B11R1.28 CNCCSc1ccccc1 2230a_100000189519_200000210301 [1,1,0,0,0,0|2,0,0]=4 3166 B11R1.28 CNCCSc1ccccc1 2230a_106832991635_100000246102 [1,1,0,0,0,0|2,0,0]=4 3167 B11R1.28 CNCCSc1ccccc1 34a_100102657272_100000246102 [1,1,0,0,0,0|2,0,0]=4 3168 B11R1.28 CNCCSc1ccccc1 7a_106832991635_100000246102 [1,1,0,0,0,0|2,0,0]=4 3169 B11R1.28 CNCOCc1ccccc1 2230a_106832991635_100000763385 [1,1,0,0,0,0|2,0,0]=4 3170 B11R1.28 CNCOCc1ccccc1 34a_100102657272_100000763385 [1,1,0,0,0,0|2,0,0]=4 3171 B11R1.28 CNCSCc1ccccc1 2230a_106832991635_200011217039 [1,1,0,0,0,0|2,0,0]=4 3172 B11R1.28 CNCSCc1ccccc1 34a_100102657272_200011217039 [1,1,0,0,0,0|2,0,0]=4 3173 B11R1.28 COC/C=C/c1ccccc1 34a_100000210256_200000210301 [1,1,0,0,0,0|0,0,2]=4 3174 B11R1.28 COC/C=C/c1ccccc1 34a_100138415774_100016265936 [1,1,0,0,0,0|0,0,2]=4 3175 B11R1.28 COCC#Cc1ccccc1 34a_100011217464_200000210301 [1,1,0,0,0,0|0,0,2]=4 3176 B11R1.28 COCC#Cc1ccccc1 34a_100138415774_100011352542 [1,1,0,0,0,0|0,0,2]=4 3177 B11R1.28 COCC#Cc1ccccc1 7a_100011217464_200000210301 [1,1,0,0,0,0|0,0,2]=4 3178 B11R1.28 COCC=Cc1ccccc1 271570a_100016286323_100000210277 [1,1,0,0,0,0|0,0,2]=4 3179 B11R1.28 COCCCC1=CCC=CC1 34a_100020667889_200000210301 [1,1,0,0,0,0|0,0,2]=4 3180 B11R1.28 COCCCc1ccccc1 34a_100000210828_200000210301 [1,1,0,0,0,0|0,0,0]=2 3181 B11R1.28 COCCCc1ccccc1 34a_100138415774_100000211621 [1,1,0,0,0,0|0,0,0]=2 3182 B11R1.28 COCCCc1ccccc1 7a_100000210828_200000210301 [1,1,0,0,0,0|0,0,0]=2 3183 B11R1.28 COCCCc1ccccn1 34a_100011215068_200000210301 [1,1,0,0,0,0|1,0,0]=3 3184 B11R1.28 COCCCc1cccnc1 34a_100000211284_200000210301 [1,1,0,0,0,0|1,0,0]=3 3185 B11R1.28 COCCCc1ccncc1 34a_100000210659_200000210301 [1,1,0,0,0,0|1,0,0]=3 3186 B11R1.28 COCCNc1ccccc1 34a_100000106764_100011201679 [1,1,0,0,0,0|1,0,0]=3 3187 B11R1.28 COCCNc1ccccc1 34a_100000211345_200000210301 [1,1,0,0,0,0|1,0,0]=3 3188 B11R1.28 COCCNc1ccncc1 34a_200011243140_200000210301 [1,1,0,0,0,0|2,0,0]=4 3189 B11R1.28 COCCOc1ccccc1 34a_100000210260_200000210301 [1,1,0,0,0,0|1,0,0]=3 3190 B11R1.28 COCCOc1ccccc1 34a_100000210340_100011201679 [1,1,0,0,0,0|1,0,0]=3 3191 B11R1.28 COCCOc1ccccc1 34a_100138415774_100000184471 [1,1,0,0,0,0|1,0,0]=3 3192 B11R1.28 COCCOc1ccccc1 7a_100000210260_200000210301 [1,1,0,0,0,0|1,0,0]=3 3193 B11R1.28 COCCOc1ccccc1 7a_100000210340_100000233755 [1,1,0,0,0,0|1,0,0]=3 3194 B11R1.28 COCCOc1cccnc1 34a_100000210849_100011201679 [1,1,0,0,0,0|2,0,0]=4 3195 B11R1.28 COCCOc1cccnc1 7a_100000210849_100000233755 [1,1,0,0,0,0|2,0,0]=4 3196 B11R1.28 COCCOc1ccncc1 34a_100000212176_100011201679 [1,1,0,0,0,0|2,0,0]=4 3197 B11R1.28 COCCSc1ccccc1 34a_100138415774_100000246102 [1,1,0,0,0,0|1,0,0]=3 3198 B11R1.28 COCCSc1ccccc1 62a_100000233755_100000041952 [1,1,0,0,0,0|1,0,0]=3 3199 B11R1.28 COCCSc1ccccc1 62a_100000719477_100000233755 [1,1,0,0,0,0|1,0,0]=3 3200 B11R1.28 COCCSc1ccccc1 7a_100000230494_200000210301 [1,1,0,0,0,0|1,0,0]=3 3201 B11R1.28 COCCSc1ccccn1 62a_100000233755_100011216584 [1,1,0,0,0,0|2,0,0]=4 3202 B11R1.28 COCCSc1ccccn1 62a_100011216584_100000233755 [1,1,0,0,0,0|2,0,0]=4 3203 B11R1.28 COCCSc1ccccn1 7a_100000156319_200000210301 [1,1,0,0,0,0|2,0,0]=4 3204 B11R1.28 COCCSc1cccnc1 62a_100000210063_100000233755 [1,1,0,0,0,0|2,0,0]=4 3205 B11R1.28 COCCSc1cccnc1 62a_100000233755_100000210063 [1,1,0,0,0,0|2,0,0]=4 3206 B11R1.28 COCCSc1ccncc1 62a_100000233755_100000728582 [1,1,0,0,0,0|2,0,0]=4 3207 B11R1.28 COCCSc1ccncc1 62a_100000728582_100000233755 [1,1,0,0,0,0|2,0,0]=4 3208 B11R1.28 COCNCc1ccccc1 2230a_100015324214_100000766300 [1,1,0,0,0,0|1,0,0]=3 3209 B11R1.28 COCOCc1ccccc1 34a_100138415774_100000763385 [1,1,0,0,0,0|1,0,0]=3 3210 B11R1.28 COCSCc1ccccc1 34a_100138415774_200011217039 [1,1,0,0,0,0|1,0,0]=3 3211 B11R1.28 COCSCc1ccccc1 62a_100000211182_100000766300 [1,1,0,0,0,0|1,0,0]=3 3212 B11R1.28 COCSCc1ccccc1 62a_100000766300_100015291786 [1,1,0,0,0,0|1,0,0]=3 3213 B11R1.28 COCSCc1ccccn1 62a_100000721315_100000766300 [1,1,0,0,0,0|2,0,0]=4 3214 B11R1.28 COCSCc1ccccn1 62a_100000766300_100000721315 [1,1,0,0,0,0|2,0,0]=4 3215 B11R1.28 COCSCc1cccnc1 62a_100000741622_100000766300 [1,1,0,0,0,0|2,0,0]=4 3216 B11R1.28 COCSCc1cccnc1 62a_100000766300_100000741622 [1,1,0,0,0,0|2,0,0]=4 3217 B11R1.28 COCSCc1ccncc1 62a_100000766300_100015193705 [1,1,0,0,0,0|2,0,0]=4 3218 B11R1.28 COCSCc1ccncc1 62a_100015193705_100000766300 [1,1,0,0,0,0|2,0,0]=4 3219 B11R1.28 CSCCCc1ccccc1 62a_100000211621_200000210301 [1,1,0,0,0,0|0,1,0]=3 3220 B11R1.28 CSCCCc1ccccc1 62a_200000210301_100000211621 [1,1,0,0,0,0|0,1,0]=3 3221 B11R1.28 CSCCNc1ccccc1 34a_100000106764_100000212216 [1,1,0,0,0,0|1,1,0]=4 3222 B11R1.28 CSCCOc1ccccc1 34a_100000210340_100000212216 [1,1,0,0,0,0|1,1,0]=4 3223 B11R1.28 CSCCOc1ccccc1 62a_100000184471_200000210301 [1,1,0,0,0,0|1,1,0]=4 3224 B11R1.28 CSCCOc1ccccc1 62a_200000210301_100000184471 [1,1,0,0,0,0|1,1,0]=4 3225 B11R1.28 CSCCOc1ccccc1 7a_100000210340_100000212216 [1,1,0,0,0,0|1,1,0]=4 3226 B11R1.28 CSCCSc1ccccc1 62a_100000212216_100000041952 [1,1,0,0,0,0|1,1,0]=4 3227 B11R1.28 CSCCSc1ccccc1 62a_100000246102_200000210301 [1,1,0,0,0,0|1,1,0]=4 3228 B11R1.28 CSCCSc1ccccc1 62a_100000719477_100000751147 [1,1,0,0,0,0|1,1,0]=4 3229 B11R1.28 CSCCSc1ccccc1 62a_200000210301_100000246102 [1,1,0,0,0,0|1,1,0]=4 3230 B11R1.28 CSCNCc1ccccc1 2230a_100015324214_100011218213 [1,1,0,0,0,0|1,1,0]=4 3231 B11R1.28 CSCNCc1ccccc1 34a_100015324214_100011218213 [1,1,0,0,0,0|1,1,0]=4 3232 B11R1.28 CSCOCc1ccccc1 34a_100000210790_100011218213 [1,1,0,0,0,0|1,1,0]=4 3233 B11R1.28 CSCOCc1ccccc1 62a_100000763385_200000210301 [1,1,0,0,0,0|1,1,0]=4 3234 B11R1.28 CSCOCc1ccccc1 62a_200000210301_100000763385 [1,1,0,0,0,0|1,1,0]=4 3235 B11R1.28 CSCSCc1ccccc1 62a_100000211182_100011218213 [1,1,0,0,0,0|1,1,0]=4 3236 B11R1.28 CSCSCc1ccccc1 62a_100011218213_100015291786 [1,1,0,0,0,0|1,1,0]=4 3237 B11R1.28 CSCSCc1ccccc1 62a_200000210301_200011217039 [1,1,0,0,0,0|1,1,0]=4 3238 B11R1.28 CSCSCc1ccccc1 62a_200011217039_200000210301 [1,1,0,0,0,0|1,1,0]=4 3239 B11R1.28 FCCCNc1ccccc1 34a_100000106764_100011934791 [1,1,0,0,0,0|1,0,0]=3 3240 B11R1.28 FCCCOc1ccccc1 34a_100000210340_100011934791 [1,1,0,0,0,0|1,0,0]=3 3241 B11R1.28 FCCCOc1ccccc1 7a_100000210340_100011934791 [1,1,0,0,0,0|1,0,0]=3 3242 B11R1.28 FCCCOc1cccnc1 34a_100000210849_100011934791 [1,1,0,0,0,0|2,0,0]=4 3243 B11R1.28 FCCCOc1cccnc1 7a_100000210849_100011934791 [1,1,0,0,0,0|2,0,0]=4 3244 B11R1.28 FCCCOc1ccncc1 34a_100000212176_100011934791 [1,1,0,0,0,0|2,0,0]=4 3245 B11R1.28 FCCCSc1ccccc1 62a_100000719477_100011934791 [1,1,0,0,0,0|1,0,0]=3 3246 B11R1.28 FCCCSc1ccccc1 62a_100011934791_100000041952 [1,1,0,0,0,0|1,0,0]=3 3247 B11R1.28 FCCCSc1ccccn1 62a_100011216584_100011934791 [1,1,0,0,0,0|2,0,0]=4 3248 B11R1.28 FCCCSc1ccccn1 62a_100011934791_100011216584 [1,1,0,0,0,0|2,0,0]=4 3249 B11R1.28 FCCCSc1cccnc1 62a_100000210063_100011934791 [1,1,0,0,0,0|2,0,0]=4 3250 B11R1.28 FCCCSc1cccnc1 62a_100011934791_100000210063 [1,1,0,0,0,0|2,0,0]=4 3251 B11R1.28 FCCCSc1ccncc1 62a_100000728582_100011934791 [1,1,0,0,0,0|2,0,0]=4 3252 B11R1.28 FCCCSc1ccncc1 62a_100011934791_100000728582 [1,1,0,0,0,0|2,0,0]=4 3253 B11R1.28 FCCNCc1ccccc1 2230a_100015324214_100011217306 [1,1,0,0,0,0|1,0,0]=3 3254 B11R1.28 FCCNCc1ccccc1 34a_100000724931_100015291786 [1,1,0,0,0,0|1,0,0]=3 3255 B11R1.28 FCCNCc1ccccc1 34a_100015324214_100011217306 [1,1,0,0,0,0|1,0,0]=3 3256 B11R1.28 FCCNCc1ccccn1 34a_100000724931_100000721315 [1,1,0,0,0,0|2,0,0]=4 3257 B11R1.28 FCCNCc1cccnc1 34a_100000724931_100000733263 [1,1,0,0,0,0|2,0,0]=4 3258 B11R1.28 FCCOCc1ccccc1 34a_100000210790_100011217306 [1,1,0,0,0,0|1,0,0]=3 3259 B11R1.28 FCCOCc1ccccc1 7a_100000210790_100011217306 [1,1,0,0,0,0|1,0,0]=3 3260 B11R1.28 FCCSCc1ccccc1 62a_100000211182_100011217306 [1,1,0,0,0,0|1,0,0]=3 3261 B11R1.28 FCCSCc1ccccc1 62a_100011217306_100015291786 [1,1,0,0,0,0|1,0,0]=3 3262 B11R1.28 FCCSCc1ccccn1 62a_100000721315_100011217306 [1,1,0,0,0,0|2,0,0]=4 3263 B11R1.28 FCCSCc1ccccn1 62a_100011217306_100000721315 [1,1,0,0,0,0|2,0,0]=4 3264 B11R1.28 FCCSCc1cccnc1 62a_100000741622_100011217306 [1,1,0,0,0,0|2,0,0]=4 3265 B11R1.28 FCCSCc1cccnc1 62a_100011217306_100000741622 [1,1,0,0,0,0|2,0,0]=4 3266 B11R1.28 FCCSCc1ccncc1 62a_100011217306_100015193705 [1,1,0,0,0,0|2,0,0]=4 3267 B11R1.28 FCCSCc1ccncc1 62a_100015193705_100011217306 [1,1,0,0,0,0|2,0,0]=4 3268 B11R1.28 FCNCCc1ccccc1 34a_100000106460_100015361967 [1,1,0,0,0,0|1,0,0]=3 3269 B11R1.28 FCOCCc1ccccc1 34a_100000210268_100015361967 [1,1,0,0,0,0|1,0,0]=3 3270 B11R1.28 FCOCCc1ccccc1 7a_100000210268_100015361967 [1,1,0,0,0,0|1,0,0]=3 3271 B11R1.28 FCOCCc1ccccn1 34a_100000210271_100015361967 [1,1,0,0,0,0|2,0,0]=4 3272 B11R1.28 FCOCCc1cccnc1 34a_100011217484_100015361967 [1,1,0,0,0,0|2,0,0]=4 3273 B11R1.28 FCOCCc1ccncc1 34a_100011216225_100015361967 [1,1,0,0,0,0|2,0,0]=4 3274 B11R1.28 FCSCCc1ccccc1 62a_100000765856_100015361967 [1,1,0,0,0,0|1,0,0]=3 3275 B11R1.28 FCSCCc1ccccc1 62a_100015361967_100011218657 [1,1,0,0,0,0|1,0,0]=3 3276 B11R1.28 FCSCCc1ccccn1 62a_100015183660_100015361967 [1,1,0,0,0,0|2,0,0]=4 3277 B11R1.28 FCSCCc1ccccn1 62a_100015361967_100015183660 [1,1,0,0,0,0|2,0,0]=4 3278 B11R1.28 FCSCCc1cccnc1 62a_100015361967_200011713674 [1,1,0,0,0,0|2,0,0]=4 3279 B11R1.28 FCSCCc1cccnc1 62a_200011713674_100015361967 [1,1,0,0,0,0|2,0,0]=4 3280 B11R1.28 FCSCCc1ccncc1 62a_100000723409_100015361967 [1,1,0,0,0,0|2,0,0]=4 3281 B11R1.28 FCSCCc1ccncc1 62a_100015361967_100000723409 [1,1,0,0,0,0|2,0,0]=4 3282 B11R1.28 FCSCSc1ccccc1 62a_100011218342_100015361967 [1,1,0,0,0,0|2,0,0]=4 3283 B11R1.28 FCSCSc1ccccc1 62a_100015361967_100011218342 [1,1,0,0,0,0|2,0,0]=4 3284 B11R1.28 N#CCCOc1ccccc1 7a_100000210340_100000184422 [1,1,0,0,0,0|1,0,1]=4 3285 B11R1.28 N#CCCSc1ccccc1 62a_100000719477_100011215226 [1,1,0,0,0,0|1,0,1]=4 3286 B11R1.28 N#CCCSc1ccccc1 62a_100011215226_100000041952 [1,1,0,0,0,0|1,0,1]=4 3287 B11R1.28 N#CCNCc1ccccc1 2230a_100015324214_100011215382 [1,1,0,0,0,0|1,0,1]=4 3288 B11R1.28 N#CCOCc1ccccc1 7a_100000210790_100011215382 [1,1,0,0,0,0|1,0,1]=4 3289 B11R1.28 N#CCSCc1ccccc1 62a_100000211182_100011215382 [1,1,0,0,0,0|1,0,1]=4 3290 B11R1.28 N#CCSCc1ccccc1 62a_100011215382_100015291786 [1,1,0,0,0,0|1,0,1]=4 3291 B11R1.28 NCCOCc1ccccc1 34a_100000210304_100015291786 [1,1,0,0,0,0|1,0,0]=3 3292 B11R1.28 NCCOCc1ccccn1 34a_100000210304_100000721315 [1,1,0,0,0,0|2,0,0]=4 3293 B11R1.28 NCCOCc1cccnc1 34a_100000210304_100000733263 [1,1,0,0,0,0|2,0,0]=4 3294 B11R1.28 O=CCNCc1ccccc1 2230a_100015324214_200015260668 [1,1,0,0,0,0|0,0,2]=4 3295 B11R1.28 O=CCNCc1ccccc1 34a_100015324214_200009817547 [1,1,0,0,0,0|0,0,2]=4 3296 B11R1.28 O=CCOCc1ccccc1 34a_100000210790_200009817547 [1,1,0,0,0,0|0,0,2]=4 3297 B11R1.28 O=CCOCc1ccccc1 7a_100000210790_200015260668 [1,1,0,0,0,0|0,0,2]=4 3298 B11R1.28 O=CCSCc1ccccc1 62a_100000211182_200015260668 [1,1,0,0,0,0|0,0,2]=4 3299 B11R1.28 O=CCSCc1ccccc1 62a_200015260668_100015291786 [1,1,0,0,0,0|0,0,2]=4 3300 B11R1.28 OCCCNc1ccccc1 34a_100000106764_100000230001 [1,1,0,0,0,0|0,0,0]=2 3301 B11R1.28 OCCCNc1cccnn1 27a_100000182051_100016991348 [1,1,0,0,0,0|2,0,0]=4 3302 B11R1.28 OCCCNc1ccncn1 27a_100000182051_100000703185 [1,1,0,0,0,0|2,0,0]=4 3303 B11R1.28 OCCCNc1cnccn1 27a_100000182051_100000211759 [1,1,0,0,0,0|2,0,0]=4 3304 B11R1.28 OCCCNc1ncccn1 27a_100000182051_100000211032 [1,1,0,0,0,0|2,0,0]=4 3305 B11R1.28 OCCCOc1ccccc1 34a_100000210340_100000230001 [1,1,0,0,0,0|0,0,0]=2 3306 B11R1.28 OCCCOc1ccccc1 7a_100000210340_100011215043 [1,1,0,0,0,0|0,0,0]=2 3307 B11R1.28 OCCCOc1cccnc1 34a_100000210849_100000230001 [1,1,0,0,0,0|1,0,0]=3 3308 B11R1.28 OCCCOc1cccnc1 7a_100000210849_100011215043 [1,1,0,0,0,0|1,0,0]=3 3309 B11R1.28 OCCCOc1ccncc1 34a_100000212176_100000230001 [1,1,0,0,0,0|1,0,0]=3 3310 B11R1.28 OCCCOc1ccnnc1 34a_100015204005_100000230001 [1,1,0,0,0,0|2,0,0]=4 3311 B11R1.28 OCCCOc1cncnc1 7a_100000754086_100011215043 [1,1,0,0,0,0|2,0,0]=4 3312 B11R1.28 OCCCSc1ccccc1 62a_100000719477_100011215043 [1,1,0,0,0,0|0,0,0]=2 3313 B11R1.28 OCCCSc1ccccc1 62a_100011215043_100000041952 [1,1,0,0,0,0|0,0,0]=2 3314 B11R1.28 OCCCSc1ccccn1 62a_100011215043_100011216584 [1,1,0,0,0,0|1,0,0]=3 3315 B11R1.28 OCCCSc1ccccn1 62a_100011216584_100011215043 [1,1,0,0,0,0|1,0,0]=3 3316 B11R1.28 OCCCSc1cccnc1 62a_100000210063_100011215043 [1,1,0,0,0,0|1,0,0]=3 3317 B11R1.28 OCCCSc1cccnc1 62a_100011215043_100000210063 [1,1,0,0,0,0|1,0,0]=3 3318 B11R1.28 OCCCSc1cccnn1 62a_100011215043_100016991348 [1,1,0,0,0,0|2,0,0]=4 3319 B11R1.28 OCCCSc1cccnn1 62a_100016991348_100011215043 [1,1,0,0,0,0|2,0,0]=4 3320 B11R1.28 OCCCSc1ccncc1 62a_100000728582_100011215043 [1,1,0,0,0,0|1,0,0]=3 3321 B11R1.28 OCCCSc1ccncc1 62a_100011215043_100000728582 [1,1,0,0,0,0|1,0,0]=3 3322 B11R1.28 OCCCSc1ccncn1 62a_100000703185_100011215043 [1,1,0,0,0,0|2,0,0]=4 3323 B11R1.28 OCCCSc1ccncn1 62a_100011215043_100000703185 [1,1,0,0,0,0|2,0,0]=4 3324 B11R1.28 OCCCSc1ccnnc1 62a_100000732662_100011215043 [1,1,0,0,0,0|2,0,0]=4 3325 B11R1.28 OCCCSc1ccnnc1 62a_100011215043_100000732662 [1,1,0,0,0,0|2,0,0]=4 3326 B11R1.28 OCCCSc1cnccn1 62a_100000211759_100011215043 [1,1,0,0,0,0|2,0,0]=4 3327 B11R1.28 OCCCSc1cnccn1 62a_100011215043_100000211759 [1,1,0,0,0,0|2,0,0]=4 3328 B11R1.28 OCCCSc1cncnc1 62a_100011206942_100011215043 [1,1,0,0,0,0|2,0,0]=4 3329 B11R1.28 OCCCSc1cncnc1 62a_100011215043_100011206942 [1,1,0,0,0,0|2,0,0]=4 3330 B11R1.28 OCCCSc1ncccn1 62a_100000211032_100011215043 [1,1,0,0,0,0|2,0,0]=4 3331 B11R1.28 OCCCSc1ncccn1 62a_100011215043_100000211032 [1,1,0,0,0,0|2,0,0]=4 3332 B11R1.28 OCCNCc1ccccc1 207a_100000210304_100015611070 [1,1,0,0,0,0|0,0,0]=2 3333 B11R1.28 OCCNCc1ccccc1 2230a_100015324214_100000211926 [1,1,0,0,0,0|0,0,0]=2 3334 B11R1.28 OCCNCc1ccccc1 2230a_100016997473_100015291786 [1,1,0,0,0,0|0,0,0]=2 3335 B11R1.28 OCCNCc1ccccc1 270004a_100000210304_100015611070 [1,1,0,0,0,0|0,0,0]=2 3336 B11R1.28 OCCNCc1ccccc1 34a_100015324214_100000211926 [1,1,0,0,0,0|0,0,0]=2 3337 B11R1.28 OCCNCc1ccccc1 34a_100016990907_100015291786 [1,1,0,0,0,0|0,0,0]=2 3338 B11R1.28 OCCNCc1ccccn1 207a_100000210304_100000209966 [1,1,0,0,0,0|1,0,0]=3 3339 B11R1.28 OCCNCc1ccccn1 2230a_100016997473_100000721315 [1,1,0,0,0,0|1,0,0]=3 3340 B11R1.28 OCCNCc1ccccn1 270004a_100000210304_100000209966 [1,1,0,0,0,0|1,0,0]=3 3341 B11R1.28 OCCNCc1ccccn1 34a_100016990907_100000721315 [1,1,0,0,0,0|1,0,0]=3 3342 B11R1.28 OCCNCc1cccnc1 207a_100000210304_100000209961 [1,1,0,0,0,0|1,0,0]=3 3343 B11R1.28 OCCNCc1cccnc1 2230a_100016997473_100000741622 [1,1,0,0,0,0|1,0,0]=3 3344 B11R1.28 OCCNCc1cccnc1 270004a_100000210304_100000209961 [1,1,0,0,0,0|1,0,0]=3 3345 B11R1.28 OCCNCc1cccnc1 34a_100016990907_100000733263 [1,1,0,0,0,0|1,0,0]=3 3346 B11R1.28 OCCNCc1cccnn1 2230a_100016997473_100016990269 [1,1,0,0,0,0|2,0,0]=4 3347 B11R1.28 OCCNCc1cccnn1 2230a_100159270163_100000211926 [1,1,0,0,0,0|2,0,0]=4 3348 B11R1.28 OCCNCc1cccnn1 34a_100016990907_100016990269 [1,1,0,0,0,0|2,0,0]=4 3349 B11R1.28 OCCNCc1ccncc1 207a_100000210304_100000186114 [1,1,0,0,0,0|1,0,0]=3 3350 B11R1.28 OCCNCc1ccncc1 2230a_100016997473_100015193705 [1,1,0,0,0,0|1,0,0]=3 3351 B11R1.28 OCCNCc1ccnnc1 270004a_100000210304_100011934578 [1,1,0,0,0,0|2,0,0]=4 3352 B11R1.28 OCCNCc1cnccn1 2230a_100016997473_100016995436 [1,1,0,0,0,0|2,0,0]=4 3353 B11R1.28 OCCNCc1cnccn1 270004a_100000210304_100000749867 [1,1,0,0,0,0|2,0,0]=4 3354 B11R1.28 OCCNCc1cnccn1 34a_100016990907_100016995436 [1,1,0,0,0,0|2,0,0]=4 3355 B11R1.28 OCCNCc1cncnc1 2230a_100011243677_100000211926 [1,1,0,0,0,0|2,0,0]=4 3356 B11R1.28 OCCNCc1cncnc1 2230a_100016997473_100015196519 [1,1,0,0,0,0|2,0,0]=4 3357 B11R1.28 OCCNCc1cncnc1 270004a_100000210304_100000749868 [1,1,0,0,0,0|2,0,0]=4 3358 B11R1.28 OCCNCc1cncnc1 34a_100016990907_100015196519 [1,1,0,0,0,0|2,0,0]=4 3359 B11R1.28 OCCNCc1ncccn1 2230a_100016997473_100000703007 [1,1,0,0,0,0|2,0,0]=4 3360 B11R1.28 OCCNCc1ncccn1 270004a_100000210304_100011532527 [1,1,0,0,0,0|2,0,0]=4 3361 B11R1.28 OCCNCc1ncccn1 34a_100016990907_100000703007 [1,1,0,0,0,0|2,0,0]=4 3362 B11R1.28 OCCOCc1ccccc1 34a_100000210790_100000211926 [1,1,0,0,0,0|0,0,0]=2 3363 B11R1.28 OCCOCc1ccccc1 7a_100000210790_100000211926 [1,1,0,0,0,0|0,0,0]=2 3364 B11R1.28 OCCSCc1ccccc1 62a_100000211182_100000211926 [1,1,0,0,0,0|0,0,0]=2 3365 B11R1.28 OCCSCc1ccccc1 62a_100000211926_100015291786 [1,1,0,0,0,0|0,0,0]=2 3366 B11R1.28 OCCSCc1ccccn1 62a_100000211926_100000721315 [1,1,0,0,0,0|1,0,0]=3 3367 B11R1.28 OCCSCc1ccccn1 62a_100000721315_100000211926 [1,1,0,0,0,0|1,0,0]=3 3368 B11R1.28 OCCSCc1cccnc1 62a_100000211926_100000741622 [1,1,0,0,0,0|1,0,0]=3 3369 B11R1.28 OCCSCc1cccnc1 62a_100000741622_100000211926 [1,1,0,0,0,0|1,0,0]=3 3370 B11R1.28 OCCSCc1cccnn1 62a_100000211926_100016990269 [1,1,0,0,0,0|2,0,0]=4 3371 B11R1.28 OCCSCc1cccnn1 62a_100016990269_100000211926 [1,1,0,0,0,0|2,0,0]=4 3372 B11R1.28 OCCSCc1ccncc1 62a_100000211926_100015193705 [1,1,0,0,0,0|1,0,0]=3 3373 B11R1.28 OCCSCc1ccncc1 62a_100015193705_100000211926 [1,1,0,0,0,0|1,0,0]=3 3374 B11R1.28 OCCSCc1cnccn1 62a_100000211926_100016995436 [1,1,0,0,0,0|2,0,0]=4 3375 B11R1.28 OCCSCc1cnccn1 62a_100016995436_100000211926 [1,1,0,0,0,0|2,0,0]=4 3376 B11R1.28 OCCSCc1cncnc1 62a_100000211926_100015196519 [1,1,0,0,0,0|2,0,0]=4 3377 B11R1.28 OCCSCc1cncnc1 62a_100015196519_100000211926 [1,1,0,0,0,0|2,0,0]=4 3378 B11R1.28 OCCSCc1ncccn1 62a_100000211926_100000703007 [1,1,0,0,0,0|2,0,0]=4 3379 B11R1.28 OCCSCc1ncccn1 62a_100000703007_100000211926 [1,1,0,0,0,0|2,0,0]=4 3380 B11R1.28 [13CH3]NCCCc1ccccc1 2230a_100000211184_200025704644 [1,1,0,0,0,0|1,0,0]=3 3381 B11R1.28 [13CH3]NCCCc1ccccc1 34a_100000211184_200025704644 [1,1,0,0,0,0|1,0,0]=3 3382 B11R1.28 [13CH3]NCCCc1cccnc1 2230a_100011532358_200025704644 [1,1,0,0,0,0|2,0,0]=4 3383 B11R1.28 [13CH3]NCCCc1cccnc1 34a_100011532358_200025704644 [1,1,0,0,0,0|2,0,0]=4 3384 B11R1.28 [13CH3]NCCCc1ccncc1 2230a_100011275580_200025704644 [1,1,0,0,0,0|2,0,0]=4 3385 B11R1.28 [13CH3]NCCOc1ccccc1 2230a_100000174943_200025704644 [1,1,0,0,0,0|2,0,0]=4 3386 B11R1.28 [13CH3]NCCOc1ccccc1 34a_100000174943_200025704644 [1,1,0,0,0,0|2,0,0]=4 3387 B11R1.28 [13CH3]NCCSc1ccccc1 2230a_100000189519_200025704644 [1,1,0,0,0,0|2,0,0]=4 3388 B11R1.28 [13CH3]OC/C=C/c1ccccc1 34a_100000210256_200025704644 [1,1,0,0,0,0|0,0,2]=4 3389 B11R1.28 [13CH3]OCC#Cc1ccccc1 34a_100011217464_200025704644 [1,1,0,0,0,0|0,0,2]=4 3390 B11R1.28 [13CH3]OCC#Cc1ccccc1 7a_100011217464_200025704644 [1,1,0,0,0,0|0,0,2]=4 3391 B11R1.28 [13CH3]OCCCC1=CCC=CC1 34a_100020667889_200025704644 [1,1,0,0,0,0|0,0,2]=4 3392 B11R1.28 [13CH3]OCCCc1ccccc1 34a_100000210828_200025704644 [1,1,0,0,0,0|0,0,0]=2 3393 B11R1.28 [13CH3]OCCCc1ccccc1 7a_100000210828_200025704644 [1,1,0,0,0,0|0,0,0]=2 3394 B11R1.28 [13CH3]OCCCc1ccccn1 34a_100011215068_200025704644 [1,1,0,0,0,0|1,0,0]=3 3395 B11R1.28 [13CH3]OCCCc1cccnc1 34a_100000211284_200025704644 [1,1,0,0,0,0|1,0,0]=3 3396 B11R1.28 [13CH3]OCCCc1ccncc1 34a_100000210659_200025704644 [1,1,0,0,0,0|1,0,0]=3 3397 B11R1.28 [13CH3]OCCNc1ccccc1 34a_100000211345_200025704644 [1,1,0,0,0,0|1,0,0]=3 3398 B11R1.28 [13CH3]OCCNc1ccncc1 34a_200011243140_200025704644 [1,1,0,0,0,0|2,0,0]=4 3399 B11R1.28 [13CH3]OCCOc1ccccc1 34a_100000210260_200025704644 [1,1,0,0,0,0|1,0,0]=3 3400 B11R1.28 [13CH3]OCCOc1ccccc1 7a_100000210260_200025704644 [1,1,0,0,0,0|1,0,0]=3 3401 B11R1.28 [13CH3]OCCSc1ccccc1 7a_100000230494_200025704644 [1,1,0,0,0,0|1,0,0]=3 3402 B11R1.28 [13CH3]OCCSc1ccccn1 7a_100000156319_200025704644 [1,1,0,0,0,0|2,0,0]=4 3403 B11R1.28 [13CH3]SCCCc1ccccc1 62a_100000211621_200025704644 [1,1,0,0,0,0|0,1,0]=3 3404 B11R1.28 [13CH3]SCCCc1ccccc1 62a_200025704644_100000211621 [1,1,0,0,0,0|0,1,0]=3 3405 B11R1.28 [13CH3]SCCOc1ccccc1 62a_100000184471_200025704644 [1,1,0,0,0,0|1,1,0]=4 3406 B11R1.28 [13CH3]SCCOc1ccccc1 62a_200025704644_100000184471 [1,1,0,0,0,0|1,1,0]=4 3407 B11R1.28 [13CH3]SCCSc1ccccc1 62a_100000246102_200025704644 [1,1,0,0,0,0|1,1,0]=4 3408 B11R1.28 [13CH3]SCCSc1ccccc1 62a_200025704644_100000246102 [1,1,0,0,0,0|1,1,0]=4 3409 B11R1.28 [13CH3]SCOCc1ccccc1 62a_100000763385_200025704644 [1,1,0,0,0,0|1,1,0]=4 3410 B11R1.28 [13CH3]SCOCc1ccccc1 62a_200025704644_100000763385 [1,1,0,0,0,0|1,1,0]=4 3411 B11R1.28 [13CH3]SCSCc1ccccc1 62a_200011217039_200025704644 [1,1,0,0,0,0|1,1,0]=4 3412 B11R1.28 [13CH3]SCSCc1ccccc1 62a_200025704644_200011217039 [1,1,0,0,0,0|1,1,0]=4 3413 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000070787_100000765856 [1,1,0,0,0,0|0,0,2]=4 3414 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000185753_200000210301 [1,1,0,0,0,0|0,0,2]=4 3415 B11R1.91 CC(C)CNc1ccccc1 34a_100000106764_100000210624 [1,1,0,0,0,0|2,0,0]=4 3416 B11R1.91 CC(C)COc1ccccc1 34a_100000210340_100000210624 [1,1,0,0,0,0|2,0,0]=4 3417 B11R1.91 CC(C)COc1ccccc1 7a_100000210340_100000210760 [1,1,0,0,0,0|2,0,0]=4 3418 B11R1.91 CC(C)CSc1ccccc1 62a_100000210624_100000041952 [1,1,0,0,0,0|2,0,0]=4 3419 B11R1.91 CC(C)CSc1ccccc1 62a_100000719477_100000210760 [1,1,0,0,0,0|2,0,0]=4 3420 B11R1.91 CC(C)NCc1ccccc1 207a_100138425928_100015611070 [1,1,0,0,0,0|2,0,0]=4 3421 B11R1.91 CC(C)NCc1ccccc1 2230a_100015324214_100000210206 [1,1,0,0,0,0|2,0,0]=4 3422 B11R1.91 CC(C)NCc1ccccc1 2230a_100138425928_100015291786 [1,1,0,0,0,0|2,0,0]=4 3423 B11R1.91 CC(C)NCc1ccccc1 34a_100015324214_100000210206 [1,1,0,0,0,0|2,0,0]=4 3424 B11R1.91 CC(C)NCc1ccccc1 34a_100138425928_100015291786 [1,1,0,0,0,0|2,0,0]=4 3425 B11R1.91 CC(C)OCc1ccccc1 34a_100000210790_100000210206 [1,1,0,0,0,0|2,0,0]=4 3426 B11R1.91 CC(C)OCc1ccccc1 34a_100000212225_100015291786 [1,1,0,0,0,0|2,0,0]=4 3427 B11R1.91 CC(C)OCc1ccccc1 7a_100000210790_100000210206 [1,1,0,0,0,0|2,0,0]=4 3428 B11R1.91 CC(C)SCc1ccccc1 62a_100000210206_100015291786 [1,1,0,0,0,0|2,0,0]=4 3429 B11R1.91 CC(C)SCc1ccccc1 62a_100000211182_100000210206 [1,1,0,0,0,0|2,0,0]=4 3430 B11R1.91 CC(O)C=Cc1ccccc1 271570a_200011019289_100000210277 [1,1,0,0,0,0|0,0,2]=4 3431 B11R1.91 CC(O)CNc1ccccc1 34a_100000106764_100011218427 [1,1,0,0,0,0|1,0,0]=3 3432 B11R1.91 CC(O)COc1ccccc1 34a_100000210340_100011218427 [1,1,0,0,0,0|1,0,0]=3 3433 B11R1.91 CC(O)COc1ccccc1 7a_100000210340_100011218427 [1,1,0,0,0,0|1,0,0]=3 3434 B11R1.91 CC(O)COc1cccnc1 34a_100000210849_100011218427 [1,1,0,0,0,0|2,0,0]=4 3435 B11R1.91 CC(O)COc1cccnc1 7a_100000210849_100011218427 [1,1,0,0,0,0|2,0,0]=4 3436 B11R1.91 CC(O)COc1ccncc1 34a_100000212176_100011218427 [1,1,0,0,0,0|2,0,0]=4 3437 B11R1.91 CC(O)CSc1ccccc1 62a_100000719477_100011218427 [1,1,0,0,0,0|1,0,0]=3 3438 B11R1.91 CC(O)CSc1ccccc1 62a_100011218427_100000041952 [1,1,0,0,0,0|1,0,0]=3 3439 B11R1.91 CC(O)CSc1ccccn1 62a_100011216584_100011218427 [1,1,0,0,0,0|2,0,0]=4 3440 B11R1.91 CC(O)CSc1ccccn1 62a_100011218427_100011216584 [1,1,0,0,0,0|2,0,0]=4 3441 B11R1.91 CC(O)CSc1cccnc1 62a_100000210063_100011218427 [1,1,0,0,0,0|2,0,0]=4 3442 B11R1.91 CC(O)CSc1cccnc1 62a_100011218427_100000210063 [1,1,0,0,0,0|2,0,0]=4 3443 B11R1.91 CC(O)CSc1ccncc1 62a_100000728582_100011218427 [1,1,0,0,0,0|2,0,0]=4 3444 B11R1.91 CC(O)CSc1ccncc1 62a_100011218427_100000728582 [1,1,0,0,0,0|2,0,0]=4 3445 B11R1.91 CN(C)CCc1ccccc1 2230a_100000207497_200000210301 [1,1,0,0,0,0|2,0,0]=4 3446 B11R1.91 CN(C)CCc1ccccc1 2230a_100102631434_100000765856 [1,1,0,0,0,0|2,0,0]=4 3447 B11R1.91 CN(C)CCc1ccccc1 269982a_100000207497_200000210301 [1,1,0,0,0,0|2,0,0]=4 3448 B11R1.91 CN(C)CCc1ccccc1 269982a_100102631434_100000765856 [1,1,0,0,0,0|2,0,0]=4 3449 B11R1.91 CN([13CH3])CCc1ccccc1 2230a_100000207497_200025704644 [1,1,0,0,0,0|2,0,0]=4 3450 B11R1.91 CN([13CH3])CCc1ccccc1 269982a_100000207497_200025704644 [1,1,0,0,0,0|2,0,0]=4 3451 B11R1.91 C[C@@H](O)CNc1ccccc1 34a_100000106764_100009817552 [1,1,0,0,0,0|1,0,0]=3 3452 B11R1.91 C[C@@H](O)COc1ccccc1 34a_100000210340_100009817552 [1,1,0,0,0,0|1,0,0]=3 3453 B11R1.91 C[C@@H](O)COc1ccccc1 7a_100000210340_100009817552 [1,1,0,0,0,0|1,0,0]=3 3454 B11R1.91 C[C@@H](O)COc1cccnc1 34a_100000210849_100009817552 [1,1,0,0,0,0|2,0,0]=4 3455 B11R1.91 C[C@@H](O)COc1cccnc1 7a_100000210849_100009817552 [1,1,0,0,0,0|2,0,0]=4 3456 B11R1.91 C[C@@H](O)COc1ccncc1 34a_100000212176_100009817552 [1,1,0,0,0,0|2,0,0]=4 3457 B11R1.91 C[C@@H](O)CSc1ccccc1 62a_100000719477_100009817552 [1,1,0,0,0,0|1,0,0]=3 3458 B11R1.91 C[C@@H](O)CSc1ccccc1 62a_100009817552_100000041952 [1,1,0,0,0,0|1,0,0]=3 3459 B11R1.91 C[C@@H](O)CSc1ccccn1 62a_100009817552_100011216584 [1,1,0,0,0,0|2,0,0]=4 3460 B11R1.91 C[C@@H](O)CSc1ccccn1 62a_100011216584_100009817552 [1,1,0,0,0,0|2,0,0]=4 3461 B11R1.91 C[C@@H](O)CSc1cccnc1 62a_100000210063_100009817552 [1,1,0,0,0,0|2,0,0]=4 3462 B11R1.91 C[C@@H](O)CSc1cccnc1 62a_100009817552_100000210063 [1,1,0,0,0,0|2,0,0]=4 3463 B11R1.91 C[C@@H](O)CSc1ccncc1 62a_100000728582_100009817552 [1,1,0,0,0,0|2,0,0]=4 3464 B11R1.91 C[C@@H](O)CSc1ccncc1 62a_100009817552_100000728582 [1,1,0,0,0,0|2,0,0]=4 3465 B11R1.91 FC(F)CNc1ccccc1 34a_100000106764_100011934356 [1,1,0,0,0,0|2,0,0]=4 3466 B11R1.91 FC(F)COc1ccccc1 34a_100000210340_100011934356 [1,1,0,0,0,0|2,0,0]=4 3467 B11R1.91 FC(F)COc1ccccc1 7a_100000210340_100011934356 [1,1,0,0,0,0|2,0,0]=4 3468 B11R1.91 FC(F)CSc1ccccc1 62a_100000719477_100011934356 [1,1,0,0,0,0|2,0,0]=4 3469 B11R1.91 FC(F)CSc1ccccc1 62a_100011934356_100000041952 [1,1,0,0,0,0|2,0,0]=4 3470 B11R1.91 [13CH3]C(=O)CCc1ccccc1 1458a_100000185753_200025704644 [1,1,0,0,0,0|0,0,2]=4 3471 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000070787_100000189115 [1,1,0,0,0,0|1,0,1]=4 3472 B11R1.20 CC(=O)Cc1ccc(cc1)Br 1458a_100000198978_200000210301 [1,1,0,0,0,0|1,0,1]=4 3473 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000070787_100000210814 [1,1,0,0,0,0|1,0,1]=4 3474 B11R1.20 CC(=O)Cc1ccc(cc1)C 1458a_100000212244_200000210301 [1,1,0,0,0,0|1,0,1]=4 3475 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000070787_100000694040 [1,1,0,0,0,0|1,0,1]=4 3476 B11R1.20 CC(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200000210301 [1,1,0,0,0,0|1,0,1]=4 3477 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000070787_100000198546 [1,1,0,0,0,0|1,0,1]=4 3478 B11R1.20 CC(=O)Cc1ccc(cc1)F 1458a_100000210951_200000210301 [1,1,0,0,0,0|1,0,1]=4 3479 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000070787_100000189116 [1,1,0,0,0,0|1,0,1]=4 3480 B11R1.20 CC(=O)Cc1ccc(cc1)I 1458a_100000688869_200000210301 [1,1,0,0,0,0|1,0,1]=4 3481 B11R1.20 CC(=O)Cc1ccc(cc1)O 1458a_100000198540_200000210301 [1,1,0,0,0,0|1,0,1]=4 3482 B11R1.20 CC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000691760 [1,1,0,0,0,0|1,0,1]=4 3483 B11R1.20 CC(C)Cc1ccc(cc1)O 271570a_203496583355_100011221366 [1,1,0,0,0,0|1,0,0]=3 3484 B11R1.20 CC(C)Nc1ccc(cc1)Br 2230a_100000210018_100000210206 [1,1,0,0,0,0|2,0,0]=4 3485 B11R1.20 CC(C)Nc1ccc(cc1)Br 34a_100000210018_100000210206 [1,1,0,0,0,0|2,0,0]=4 3486 B11R1.20 CC(C)Nc1ccc(cc1)Cl 2230a_100000210052_100000210206 [1,1,0,0,0,0|2,0,0]=4 3487 B11R1.20 CC(C)Nc1ccc(cc1)Cl 34a_100000210052_100000210206 [1,1,0,0,0,0|2,0,0]=4 3488 B11R1.20 CC(C)Nc1ccc(cc1)F 34a_100000185862_100000210206 [1,1,0,0,0,0|2,0,0]=4 3489 B11R1.20 CC(C)Nc1ccc(cc1)I 34a_100000185761_100000210206 [1,1,0,0,0,0|2,0,0]=4 3490 B11R1.20 CC(C)Nc1ccc(cc1)O 271570a_203496583355_100000219625 [1,1,0,0,0,0|2,0,0]=4 3491 B11R1.20 CC(C)Nc1ccc(cc1)O 34a_100000185829_100000210206 [1,1,0,0,0,0|2,0,0]=4 3492 B11R1.20 CC(C)Oc1ccc(cc1)Br 34a_100000185759_100000210206 [1,1,0,0,0,0|2,0,0]=4 3493 B11R1.20 CC(C)Oc1ccc(cc1)Br 7a_100000185759_100000210206 [1,1,0,0,0,0|2,0,0]=4 3494 B11R1.20 CC(C)Oc1ccc(cc1)Cl 34a_100000210216_100000210206 [1,1,0,0,0,0|2,0,0]=4 3495 B11R1.20 CC(C)Oc1ccc(cc1)Cl 7a_100000210216_100000210206 [1,1,0,0,0,0|2,0,0]=4 3496 B11R1.20 CC(C)Oc1ccc(cc1)F 34a_100000210339_100000210206 [1,1,0,0,0,0|2,0,0]=4 3497 B11R1.20 CC(C)Oc1ccc(cc1)I 34a_100000212066_100000210206 [1,1,0,0,0,0|2,0,0]=4 3498 B11R1.20 CC(C)Oc1ccc(cc1)I 7a_100000212066_100000210206 [1,1,0,0,0,0|2,0,0]=4 3499 B11R1.20 CC(C)Oc1ccc(cc1)N 34a_100000185829_100000210206 [1,1,0,0,0,0|2,0,0]=4 3500 B11R1.20 CC(C)Oc1ccc(cc1)O 271570a_203496583355_100000169947 [1,1,0,0,0,0|2,0,0]=4 3501 B11R1.20 CC(C)Sc1ccc(cc1)Br 62a_100000210206_100000752885 [1,1,0,0,0,0|2,0,0]=4 3502 B11R1.20 CC(C)Sc1ccc(cc1)Br 62a_100000752885_100000210206 [1,1,0,0,0,0|2,0,0]=4 3503 B11R1.20 CC(C)Sc1ccc(cc1)Cl 62a_100000210206_100000755918 [1,1,0,0,0,0|2,0,0]=4 3504 B11R1.20 CC(C)Sc1ccc(cc1)Cl 62a_100000755918_100000210206 [1,1,0,0,0,0|2,0,0]=4 3505 B11R1.20 CC(C)Sc1ccc(cc1)F 62a_100000210206_100000211213 [1,1,0,0,0,0|2,0,0]=4 3506 B11R1.20 CC(C)Sc1ccc(cc1)F 62a_100000211213_100000210206 [1,1,0,0,0,0|2,0,0]=4 3507 B11R1.20 CC(C)Sc1ccc(cc1)N 62a_100000185761_100000210206 [1,1,0,0,0,0|2,0,0]=4 3508 B11R1.20 CC(C)Sc1ccc(cc1)N 62a_100000210206_100000185761 [1,1,0,0,0,0|2,0,0]=4 3509 B11R1.20 CC(C)Sc1ccc(cc1)O 271570a_203496583355_100009811894 [1,1,0,0,0,0|2,0,0]=4 3510 B11R1.20 CC(C)Sc1ccc(cc1)O 62a_100000210206_100000185759 [1,1,0,0,0,0|2,0,0]=4 3511 B11R1.20 CN(C)Cc1ccc(cc1)Br 2230a_100000180866_200000210301 [1,1,0,0,0,0|2,0,0]=4 3512 B11R1.20 CN(C)Cc1ccc(cc1)Br 2230a_100102631434_100011217064 [1,1,0,0,0,0|2,0,0]=4 3513 B11R1.20 CN(C)Cc1ccc(cc1)Br 269982a_100000180866_200000210301 [1,1,0,0,0,0|2,0,0]=4 3514 B11R1.20 CN(C)Cc1ccc(cc1)Br 269982a_100102631434_100011217064 [1,1,0,0,0,0|2,0,0]=4 3515 B11R1.20 CN(C)Cc1ccc(cc1)Br 270004a_100102631434_100000186029 [1,1,0,0,0,0|2,0,0]=4 3516 B11R1.20 CN(C)Cc1ccc(cc1)Cl 2230a_100000184517_200000210301 [1,1,0,0,0,0|2,0,0]=4 3517 B11R1.20 CN(C)Cc1ccc(cc1)Cl 2230a_100102631434_100000694040 [1,1,0,0,0,0|2,0,0]=4 3518 B11R1.20 CN(C)Cc1ccc(cc1)Cl 269982a_100000184517_200000210301 [1,1,0,0,0,0|2,0,0]=4 3519 B11R1.20 CN(C)Cc1ccc(cc1)Cl 269982a_100102631434_100000187161 [1,1,0,0,0,0|2,0,0]=4 3520 B11R1.20 CN(C)Cc1ccc(cc1)Cl 270004a_100102631434_100000189385 [1,1,0,0,0,0|2,0,0]=4 3521 B11R1.20 CN(C)Cc1ccc(cc1)Cl 34a_100000184517_200000210301 [1,1,0,0,0,0|2,0,0]=4 3522 B11R1.20 CN(C)Cc1ccc(cc1)F 2230a_100000184576_200000210301 [1,1,0,0,0,0|2,0,0]=4 3523 B11R1.20 CN(C)Cc1ccc(cc1)F 2230a_100102631434_100000198546 [1,1,0,0,0,0|2,0,0]=4 3524 B11R1.20 CN(C)Cc1ccc(cc1)F 269982a_100000184576_200000210301 [1,1,0,0,0,0|2,0,0]=4 3525 B11R1.20 CN(C)Cc1ccc(cc1)F 269982a_100102631434_100000198546 [1,1,0,0,0,0|2,0,0]=4 3526 B11R1.20 CN(C)Cc1ccc(cc1)F 270004a_100102631434_100000210084 [1,1,0,0,0,0|2,0,0]=4 3527 B11R1.20 CN(C)Cc1ccc(cc1)F 34a_100000184576_200000210301 [1,1,0,0,0,0|2,0,0]=4 3528 B11R1.20 CN(C)Cc1ccc(cc1)I 2230a_100102631434_100000189116 [1,1,0,0,0,0|2,0,0]=4 3529 B11R1.20 CN(C)Cc1ccc(cc1)I 269982a_100102631434_100000189116 [1,1,0,0,0,0|2,0,0]=4 3530 B11R1.20 CN(C)Cc1ccc(cc1)O 2230a_100000207500_200000210301 [1,1,0,0,0,0|2,0,0]=4 3531 B11R1.20 CN(C)Cc1ccc(cc1)O 269982a_100000207500_200000210301 [1,1,0,0,0,0|2,0,0]=4 3532 B11R1.20 CN(C)Cc1ccc(cc1)O 271570a_203496583355_100000174694 [1,1,0,0,0,0|2,0,0]=4 3533 B11R1.20 CN([13CH3])Cc1ccc(cc1)Br 2230a_100000180866_200025704644 [1,1,0,0,0,0|2,0,0]=4 3534 B11R1.20 CN([13CH3])Cc1ccc(cc1)Br 269982a_100000180866_200025704644 [1,1,0,0,0,0|2,0,0]=4 3535 B11R1.20 CN([13CH3])Cc1ccc(cc1)Cl 2230a_100000184517_200025704644 [1,1,0,0,0,0|2,0,0]=4 3536 B11R1.20 CN([13CH3])Cc1ccc(cc1)Cl 269982a_100000184517_200025704644 [1,1,0,0,0,0|2,0,0]=4 3537 B11R1.20 CN([13CH3])Cc1ccc(cc1)Cl 34a_100000184517_200025704644 [1,1,0,0,0,0|2,0,0]=4 3538 B11R1.20 CN([13CH3])Cc1ccc(cc1)F 2230a_100000184576_200025704644 [1,1,0,0,0,0|2,0,0]=4 3539 B11R1.20 CN([13CH3])Cc1ccc(cc1)F 269982a_100000184576_200025704644 [1,1,0,0,0,0|2,0,0]=4 3540 B11R1.20 CN([13CH3])Cc1ccc(cc1)F 34a_100000184576_200025704644 [1,1,0,0,0,0|2,0,0]=4 3541 B11R1.20 CN([13CH3])Cc1ccc(cc1)O 2230a_100000207500_200025704644 [1,1,0,0,0,0|2,0,0]=4 3542 B11R1.20 CN([13CH3])Cc1ccc(cc1)O 269982a_100000207500_200025704644 [1,1,0,0,0,0|2,0,0]=4 3543 B11R1.20 Cc1ccc(cc1)CC(=O)[13CH3] 1458a_100000212244_200025704644 [1,1,0,0,0,0|1,0,1]=4 3544 B11R1.20 Cc1ccc(cc1)CN(C)C 2230a_100000744650_200000210301 [1,1,0,0,0,0|2,0,0]=4 3545 B11R1.20 Cc1ccc(cc1)CN(C)C 2230a_100102631434_100000210814 [1,1,0,0,0,0|2,0,0]=4 3546 B11R1.20 Cc1ccc(cc1)CN(C)C 269982a_100000744650_200000210301 [1,1,0,0,0,0|2,0,0]=4 3547 B11R1.20 Cc1ccc(cc1)CN(C)C 269982a_100102631434_100000210814 [1,1,0,0,0,0|2,0,0]=4 3548 B11R1.20 Cc1ccc(cc1)CN(C)C 270004a_100102631434_100000211033 [1,1,0,0,0,0|2,0,0]=4 3549 B11R1.20 Cc1ccc(cc1)CN(C)C 34a_100000744650_200000210301 [1,1,0,0,0,0|2,0,0]=4 3550 B11R1.20 Cc1ccc(cc1)CN(C)[13CH3] 2230a_100000744650_200025704644 [1,1,0,0,0,0|2,0,0]=4 3551 B11R1.20 Cc1ccc(cc1)CN(C)[13CH3] 269982a_100000744650_200025704644 [1,1,0,0,0,0|2,0,0]=4 3552 B11R1.20 Cc1ccc(cc1)CN(C)[13CH3] 34a_100000744650_200025704644 [1,1,0,0,0,0|2,0,0]=4 3553 B11R1.20 Cc1ccc(cc1)NC(C)C 34a_100000124888_100000210206 [1,1,0,0,0,0|2,0,0]=4 3554 B11R1.20 Cc1ccc(cc1)OC(C)C 34a_100000210336_100000210206 [1,1,0,0,0,0|2,0,0]=4 3555 B11R1.20 Cc1ccc(cc1)OC(C)C 7a_100000210336_100000210206 [1,1,0,0,0,0|2,0,0]=4 3556 B11R1.20 Cc1ccc(cc1)SC(C)C 62a_100000186775_100000210206 [1,1,0,0,0,0|2,0,0]=4 3557 B11R1.20 Cc1ccc(cc1)SC(C)C 62a_100000210206_100000186775 [1,1,0,0,0,0|2,0,0]=4 3558 B11R1.20 NC(=O)Cc1ccc(cc1)O 271570a_203496583355_100000162331 [1,1,0,0,0,0|0,0,2]=4 3559 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Br 1458a_100000198978_200025704644 [1,1,0,0,0,0|1,0,1]=4 3560 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)Cl 1458a_100000211027_200025704644 [1,1,0,0,0,0|1,0,1]=4 3561 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)F 1458a_100000210951_200025704644 [1,1,0,0,0,0|1,0,1]=4 3562 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)I 1458a_100000688869_200025704644 [1,1,0,0,0,0|1,0,1]=4 3563 B11R1.20 [13CH3]C(=O)Cc1ccc(cc1)O 1458a_100000198540_200025704644 [1,1,0,0,0,0|1,0,1]=4 3564 B11R1.36 CC(=O)C(C)c1ccccc1 1458a_100000070787_100000230085 [1,1,0,0,0,0|1,0,1]=4 3565 B11R1.36 CC(=O)C(F)c1ccccc1 1458a_100000698975_200000210301 [1,1,0,0,0,0|1,0,1]=4 3566 B11R1.36 CC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_200000210301 [1,1,0,0,0,0|1,0,1]=4 3567 B11R1.36 CC(=O)[C@H](O)c1ccccc1 1458a_100000684486_200000210301 [1,1,0,0,0,0|1,0,1]=4 3568 B11R1.36 CC(C)C(=O)c1ccccc1 1458a_100000185807_100000210206 [1,1,0,0,0,0|1,0,1]=4 3569 B11R1.36 CC(C)N(C)c1ccccc1 2230a_100000210012_100000210206 [1,1,0,0,0,0|2,0,0]=4 3570 B11R1.36 CC(C)N(C)c1ccccc1 2230a_100000210572_200000210301 [1,1,0,0,0,0|2,0,0]=4 3571 B11R1.36 CC(C)N(C)c1ccccc1 269982a_100000210012_100000210206 [1,1,0,0,0,0|2,0,0]=4 3572 B11R1.36 CC(C)N(C)c1ccccc1 269982a_100000210572_200000210301 [1,1,0,0,0,0|2,0,0]=4 3573 B11R1.36 CC(C)N(C)c1ccccc1 34a_100000210012_100000210206 [1,1,0,0,0,0|2,0,0]=4 3574 B11R1.36 CC(C)N(C)c1ccccc1 34a_100000210572_200000210301 [1,1,0,0,0,0|2,0,0]=4 3575 B11R1.36 CC(C)N(C)c1ccccc1 7a_100000210572_200000210301 [1,1,0,0,0,0|2,0,0]=4 3576 B11R1.36 CC(C)N([13CH3])c1ccccc1 2230a_100000210572_200025704644 [1,1,0,0,0,0|2,0,0]=4 3577 B11R1.36 CC(C)N([13CH3])c1ccccc1 269982a_100000210572_200025704644 [1,1,0,0,0,0|2,0,0]=4 3578 B11R1.36 CC(C)N([13CH3])c1ccccc1 34a_100000210572_200025704644 [1,1,0,0,0,0|2,0,0]=4 3579 B11R1.36 CC(C)N([13CH3])c1ccccc1 7a_100000210572_200025704644 [1,1,0,0,0,0|2,0,0]=4 3580 B11R1.36 CC(c1ccccc1)N(C)C 2230a_100000195388_200000210301 [1,1,0,0,0,0|2,0,0]=4 3581 B11R1.36 CC(c1ccccc1)N(C)C 2230a_100102631434_100000230085 [1,1,0,0,0,0|2,0,0]=4 3582 B11R1.36 CC(c1ccccc1)N(C)C 269982a_100000195388_200000210301 [1,1,0,0,0,0|2,0,0]=4 3583 B11R1.36 CC(c1ccccc1)N(C)C 269982a_100102631434_100000230085 [1,1,0,0,0,0|2,0,0]=4 3584 B11R1.36 CC(c1ccccc1)N(C)[13CH3] 2230a_100000195388_200025704644 [1,1,0,0,0,0|2,0,0]=4 3585 B11R1.36 CC(c1ccccc1)N(C)[13CH3] 269982a_100000195388_200025704644 [1,1,0,0,0,0|2,0,0]=4 3586 B11R1.36 C[C@H](C(=O)[13CH3])c1ccccc1 1458a_100000751047_200025704644 [1,1,0,0,0,0|1,0,1]=4 3587 B11R1.36 [13CH3]C(=O)C(F)c1ccccc1 1458a_100000698975_200025704644 [1,1,0,0,0,0|1,0,1]=4 3588 B11R1.36 [13CH3]C(=O)[C@H](O)c1ccccc1 1458a_100000684486_200025704644 [1,1,0,0,0,0|1,0,1]=4 3589 B11R1.86 CC(=O)Cc1ccccc1Br 1458a_100000070787_100000184730 [1,1,0,0,0,0|1,0,1]=4 3590 B11R1.86 CC(=O)Cc1ccccc1Br 1458a_100000751119_200000210301 [1,1,0,0,0,0|1,0,1]=4 3591 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000070787_100000211839 [1,1,0,0,0,0|1,0,1]=4 3592 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000212180_200000210301 [1,1,0,0,0,0|1,0,1]=4 3593 B11R1.86 CC(=O)Cc1ccccc1Cl 1458a_100000070787_100000187162 [1,1,0,0,0,0|1,0,1]=4 3594 B11R1.86 CC(=O)Cc1ccccc1Cl 1458a_100000183793_200000210301 [1,1,0,0,0,0|1,0,1]=4 3595 B11R1.86 CC(=O)Cc1ccccc1F 1458a_100000070787_100000187165 [1,1,0,0,0,0|1,0,1]=4 3596 B11R1.86 CC(=O)Cc1ccccc1F 1458a_100000212012_200000210301 [1,1,0,0,0,0|1,0,1]=4 3597 B11R1.86 CC(=O)Cc1ccccc1I 1458a_100000036491_200000210301 [1,1,0,0,0,0|1,0,1]=4 3598 B11R1.86 CC(=O)Cc1ccccc1I 1458a_100000070787_100011216222 [1,1,0,0,0,0|1,0,1]=4 3599 B11R1.86 CC(=O)Cc1ccccc1O 1458a_100000743006_200000210301 [1,1,0,0,0,0|1,0,1]=4 3600 B11R1.86 CC(=O)Cc1ccccc1O 271570a_203496583355_100011350739 [1,1,0,0,0,0|1,0,1]=4 3601 B11R1.86 CC(C)Nc1ccccc1Br 34a_100000210017_100000210206 [1,1,0,0,0,0|2,0,0]=4 3602 B11R1.86 CC(C)Nc1ccccc1Cl 34a_100000185783_100000210206 [1,1,0,0,0,0|2,0,0]=4 3603 B11R1.86 CC(C)Nc1ccccc1F 34a_100000210422_100000210206 [1,1,0,0,0,0|2,0,0]=4 3604 B11R1.86 CC(C)Nc1ccccc1I 34a_100000210053_100000210206 [1,1,0,0,0,0|2,0,0]=4 3605 B11R1.86 CC(C)Nc1ccccc1O 271570a_203496583355_100000219599 [1,1,0,0,0,0|2,0,0]=4 3606 B11R1.86 CC(C)Nc1ccccc1O 34a_100000185747_100000210206 [1,1,0,0,0,0|2,0,0]=4 3607 B11R1.86 CC(C)Oc1ccccc1Br 34a_100000181306_100000210206 [1,1,0,0,0,0|2,0,0]=4 3608 B11R1.86 CC(C)Oc1ccccc1Br 7a_100000181306_100000210206 [1,1,0,0,0,0|2,0,0]=4 3609 B11R1.86 CC(C)Oc1ccccc1Cl 34a_100000210172_100000210206 [1,1,0,0,0,0|2,0,0]=4 3610 B11R1.86 CC(C)Oc1ccccc1Cl 7a_100000210172_100000210206 [1,1,0,0,0,0|2,0,0]=4 3611 B11R1.86 CC(C)Oc1ccccc1F 34a_100000210171_100000210206 [1,1,0,0,0,0|2,0,0]=4 3612 B11R1.86 CC(C)Oc1ccccc1F 7a_100000210171_100000210206 [1,1,0,0,0,0|2,0,0]=4 3613 B11R1.86 CC(C)Oc1ccccc1I 34a_100000739446_100000210206 [1,1,0,0,0,0|2,0,0]=4 3614 B11R1.86 CC(C)Oc1ccccc1I 7a_100000739446_100000210206 [1,1,0,0,0,0|2,0,0]=4 3615 B11R1.86 CC(C)Oc1ccccc1N 34a_100000185747_100000210206 [1,1,0,0,0,0|2,0,0]=4 3616 B11R1.86 CC(C)Oc1ccccc1N 7a_100000185747_100000210206 [1,1,0,0,0,0|2,0,0]=4 3617 B11R1.86 CC(C)Oc1ccccc1O 271570a_203496583355_100000173919 [1,1,0,0,0,0|2,0,0]=4 3618 B11R1.86 CC(C)Sc1ccccc1Br 62a_100000210206_100000695589 [1,1,0,0,0,0|2,0,0]=4 3619 B11R1.86 CC(C)Sc1ccccc1Br 62a_100000695589_100000210206 [1,1,0,0,0,0|2,0,0]=4 3620 B11R1.86 CC(C)Sc1ccccc1Cl 62a_100000210206_100000764095 [1,1,0,0,0,0|2,0,0]=4 3621 B11R1.86 CC(C)Sc1ccccc1Cl 62a_100000764095_100000210206 [1,1,0,0,0,0|2,0,0]=4 3622 B11R1.86 CC(C)Sc1ccccc1F 62a_100000210206_100011215700 [1,1,0,0,0,0|2,0,0]=4 3623 B11R1.86 CC(C)Sc1ccccc1F 62a_100011215700_100000210206 [1,1,0,0,0,0|2,0,0]=4 3624 B11R1.86 CC(C)Sc1ccccc1N 62a_100000210017_100000210206 [1,1,0,0,0,0|2,0,0]=4 3625 B11R1.86 CC(C)Sc1ccccc1N 62a_100000210206_100000210017 [1,1,0,0,0,0|2,0,0]=4 3626 B11R1.86 CC(C)Sc1ccccc1O 62a_100000210206_100000739446 [1,1,0,0,0,0|2,0,0]=4 3627 B11R1.86 CC(C)Sc1ccccc1O 62a_100000739446_100000210206 [1,1,0,0,0,0|2,0,0]=4 3628 B11R1.86 CN(C)Cc1ccccc1Br 2230a_100000184654_200000210301 [1,1,0,0,0,0|2,0,0]=4 3629 B11R1.86 CN(C)Cc1ccccc1Br 2230a_100102631434_100000184730 [1,1,0,0,0,0|2,0,0]=4 3630 B11R1.86 CN(C)Cc1ccccc1Br 269982a_100000184654_200000210301 [1,1,0,0,0,0|2,0,0]=4 3631 B11R1.86 CN(C)Cc1ccccc1Br 269982a_100102631434_100000184730 [1,1,0,0,0,0|2,0,0]=4 3632 B11R1.86 CN(C)Cc1ccccc1Br 270004a_100102631434_100000211189 [1,1,0,0,0,0|2,0,0]=4 3633 B11R1.86 CN(C)Cc1ccccc1Cl 2230a_100000184507_200000210301 [1,1,0,0,0,0|2,0,0]=4 3634 B11R1.86 CN(C)Cc1ccccc1Cl 2230a_100102631434_100000187162 [1,1,0,0,0,0|2,0,0]=4 3635 B11R1.86 CN(C)Cc1ccccc1Cl 269982a_100000184507_200000210301 [1,1,0,0,0,0|2,0,0]=4 3636 B11R1.86 CN(C)Cc1ccccc1Cl 269982a_100102631434_100000187162 [1,1,0,0,0,0|2,0,0]=4 3637 B11R1.86 CN(C)Cc1ccccc1Cl 270004a_100102631434_100000210073 [1,1,0,0,0,0|2,0,0]=4 3638 B11R1.86 CN(C)Cc1ccccc1F 2230a_100000742528_200000210301 [1,1,0,0,0,0|2,0,0]=4 3639 B11R1.86 CN(C)Cc1ccccc1F 2230a_100102631434_100000211605 [1,1,0,0,0,0|2,0,0]=4 3640 B11R1.86 CN(C)Cc1ccccc1F 269982a_100000742528_200000210301 [1,1,0,0,0,0|2,0,0]=4 3641 B11R1.86 CN(C)Cc1ccccc1F 269982a_100102631434_100000211605 [1,1,0,0,0,0|2,0,0]=4 3642 B11R1.86 CN(C)Cc1ccccc1F 270004a_100102631434_100000210811 [1,1,0,0,0,0|2,0,0]=4 3643 B11R1.86 CN(C)Cc1ccccc1F 34a_100000742528_200000210301 [1,1,0,0,0,0|2,0,0]=4 3644 B11R1.86 CN(C)Cc1ccccc1I 2230a_100102631434_100011215278 [1,1,0,0,0,0|2,0,0]=4 3645 B11R1.86 CN(C)Cc1ccccc1I 269982a_100102631434_100011215278 [1,1,0,0,0,0|2,0,0]=4 3646 B11R1.86 CN(C)Cc1ccccc1I 270004a_100102631434_100000010305 [1,1,0,0,0,0|2,0,0]=4 3647 B11R1.86 CN(C)Cc1ccccc1O 2230a_100015189988_200000210301 [1,1,0,0,0,0|2,0,0]=4 3648 B11R1.86 CN(C)Cc1ccccc1O 269982a_100015189988_200000210301 [1,1,0,0,0,0|2,0,0]=4 3649 B11R1.86 CN(C)Cc1ccccc1O 271570a_203496583355_100000174758 [1,1,0,0,0,0|2,0,0]=4 3650 B11R1.86 CN([13CH3])Cc1ccccc1Br 2230a_100000184654_200025704644 [1,1,0,0,0,0|2,0,0]=4 3651 B11R1.86 CN([13CH3])Cc1ccccc1Br 269982a_100000184654_200025704644 [1,1,0,0,0,0|2,0,0]=4 3652 B11R1.86 CN([13CH3])Cc1ccccc1Cl 2230a_100000184507_200025704644 [1,1,0,0,0,0|2,0,0]=4 3653 B11R1.86 CN([13CH3])Cc1ccccc1Cl 269982a_100000184507_200025704644 [1,1,0,0,0,0|2,0,0]=4 3654 B11R1.86 CN([13CH3])Cc1ccccc1F 2230a_100000742528_200025704644 [1,1,0,0,0,0|2,0,0]=4 3655 B11R1.86 CN([13CH3])Cc1ccccc1F 269982a_100000742528_200025704644 [1,1,0,0,0,0|2,0,0]=4 3656 B11R1.86 CN([13CH3])Cc1ccccc1F 34a_100000742528_200025704644 [1,1,0,0,0,0|2,0,0]=4 3657 B11R1.86 CN([13CH3])Cc1ccccc1O 2230a_100015189988_200025704644 [1,1,0,0,0,0|2,0,0]=4 3658 B11R1.86 CN([13CH3])Cc1ccccc1O 269982a_100015189988_200025704644 [1,1,0,0,0,0|2,0,0]=4 3659 B11R1.86 Cc1ccccc1CC(=O)[13CH3] 1458a_100000212180_200025704644 [1,1,0,0,0,0|1,0,1]=4 3660 B11R1.86 Cc1ccccc1CN(C)C 2230a_100000184421_200000210301 [1,1,0,0,0,0|2,0,0]=4 3661 B11R1.86 Cc1ccccc1CN(C)C 2230a_100102631434_100000211839 [1,1,0,0,0,0|2,0,0]=4 3662 B11R1.86 Cc1ccccc1CN(C)C 269982a_100000184421_200000210301 [1,1,0,0,0,0|2,0,0]=4 3663 B11R1.86 Cc1ccccc1CN(C)C 269982a_100102631434_100000211839 [1,1,0,0,0,0|2,0,0]=4 3664 B11R1.86 Cc1ccccc1CN(C)C 270004a_100102631434_100000211143 [1,1,0,0,0,0|2,0,0]=4 3665 B11R1.86 Cc1ccccc1CN(C)[13CH3] 2230a_100000184421_200025704644 [1,1,0,0,0,0|2,0,0]=4 3666 B11R1.86 Cc1ccccc1CN(C)[13CH3] 269982a_100000184421_200025704644 [1,1,0,0,0,0|2,0,0]=4 3667 B11R1.86 Cc1ccccc1NC(C)C 34a_100015192222_100000210206 [1,1,0,0,0,0|2,0,0]=4 3668 B11R1.86 Cc1ccccc1OC(C)C 34a_100000210338_100000210206 [1,1,0,0,0,0|2,0,0]=4 3669 B11R1.86 Cc1ccccc1OC(C)C 7a_100000210338_100000210206 [1,1,0,0,0,0|2,0,0]=4 3670 B11R1.86 Cc1ccccc1SC(C)C 62a_100000210206_100000210755 [1,1,0,0,0,0|2,0,0]=4 3671 B11R1.86 Cc1ccccc1SC(C)C 62a_100000210755_100000210206 [1,1,0,0,0,0|2,0,0]=4 3672 B11R1.86 NC(=O)Cc1ccccc1O 271570a_203496583355_200009814924 [1,1,0,0,0,0|0,0,2]=4 3673 B11R1.86 [13CH3]C(=O)Cc1ccccc1Br 1458a_100000751119_200025704644 [1,1,0,0,0,0|1,0,1]=4 3674 B11R1.86 [13CH3]C(=O)Cc1ccccc1Cl 1458a_100000183793_200025704644 [1,1,0,0,0,0|1,0,1]=4 3675 B11R1.86 [13CH3]C(=O)Cc1ccccc1F 1458a_100000212012_200025704644 [1,1,0,0,0,0|1,0,1]=4 3676 B11R1.86 [13CH3]C(=O)Cc1ccccc1I 1458a_100000036491_200025704644 [1,1,0,0,0,0|1,0,1]=4 3677 B11R1.86 [13CH3]C(=O)Cc1ccccc1O 1458a_100000743006_200025704644 [1,1,0,0,0,0|1,0,1]=4 3678 B11R1.157 CC(=O)Cc1cccc(c1)Br 1458a_100000070787_100000211773 [1,1,0,0,0,0|1,0,1]=4 3679 B11R1.157 CC(=O)Cc1cccc(c1)Br 1458a_100000747190_200000210301 [1,1,0,0,0,0|1,0,1]=4 3680 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100000070787_100000211840 [1,1,0,0,0,0|1,0,1]=4 3681 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100011206899_200000210301 [1,1,0,0,0,0|1,0,1]=4 3682 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1458a_100000070787_100000181238 [1,1,0,0,0,0|1,0,1]=4 3683 B11R1.157 CC(=O)Cc1cccc(c1)Cl 1458a_100000749307_200000210301 [1,1,0,0,0,0|1,0,1]=4 3684 B11R1.157 CC(=O)Cc1cccc(c1)F 1458a_100000070787_100000230114 [1,1,0,0,0,0|1,0,1]=4 3685 B11R1.157 CC(=O)Cc1cccc(c1)F 1458a_100000211661_200000210301 [1,1,0,0,0,0|1,0,1]=4 3686 B11R1.157 CC(=O)Cc1cccc(c1)I 1458a_100000070787_100011218688 [1,1,0,0,0,0|1,0,1]=4 3687 B11R1.157 CC(=O)Cc1cccc(c1)I 1458a_100000238430_200000210301 [1,1,0,0,0,0|1,0,1]=4 3688 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000070787_100011660834 [1,1,0,0,0,0|1,0,1]=4 3689 B11R1.157 CC(=O)Cc1cccc(c1)O 1458a_100000745134_200000210301 [1,1,0,0,0,0|1,0,1]=4 3690 B11R1.157 CC(=O)Cc1cccc(c1)O 271570a_203496583355_100000689217 [1,1,0,0,0,0|1,0,1]=4 3691 B11R1.157 CC(C)Cc1cccc(c1)O 271570a_203496583355_100010883412 [1,1,0,0,0,0|1,0,0]=3 3692 B11R1.157 CC(C)Nc1cccc(c1)Br 34a_100000210019_100000210206 [1,1,0,0,0,0|2,0,0]=4 3693 B11R1.157 CC(C)Nc1cccc(c1)Cl 34a_100000185859_100000210206 [1,1,0,0,0,0|2,0,0]=4 3694 B11R1.157 CC(C)Nc1cccc(c1)F 34a_100000210047_100000210206 [1,1,0,0,0,0|2,0,0]=4 3695 B11R1.157 CC(C)Nc1cccc(c1)I 34a_100000211102_100000210206 [1,1,0,0,0,0|2,0,0]=4 3696 B11R1.157 CC(C)Nc1cccc(c1)O 271570a_203496583355_100000219649 [1,1,0,0,0,0|2,0,0]=4 3697 B11R1.157 CC(C)Nc1cccc(c1)O 34a_100000210217_100000210206 [1,1,0,0,0,0|2,0,0]=4 3698 B11R1.157 CC(C)Oc1cccc(c1)Br 34a_100000210342_100000210206 [1,1,0,0,0,0|2,0,0]=4 3699 B11R1.157 CC(C)Oc1cccc(c1)Br 7a_100000210342_100000210206 [1,1,0,0,0,0|2,0,0]=4 3700 B11R1.157 CC(C)Oc1cccc(c1)Cl 34a_100000210295_100000210206 [1,1,0,0,0,0|2,0,0]=4 3701 B11R1.157 CC(C)Oc1cccc(c1)Cl 7a_100000210295_100000210206 [1,1,0,0,0,0|2,0,0]=4 3702 B11R1.157 CC(C)Oc1cccc(c1)F 34a_100000210426_100000210206 [1,1,0,0,0,0|2,0,0]=4 3703 B11R1.157 CC(C)Oc1cccc(c1)F 7a_100000210426_100000210206 [1,1,0,0,0,0|2,0,0]=4 3704 B11R1.157 CC(C)Oc1cccc(c1)I 34a_100000211634_100000210206 [1,1,0,0,0,0|2,0,0]=4 3705 B11R1.157 CC(C)Oc1cccc(c1)I 7a_100000211634_100000210206 [1,1,0,0,0,0|2,0,0]=4 3706 B11R1.157 CC(C)Oc1cccc(c1)N 34a_100000210217_100000210206 [1,1,0,0,0,0|2,0,0]=4 3707 B11R1.157 CC(C)Oc1cccc(c1)O 271570a_203496583355_100000170003 [1,1,0,0,0,0|2,0,0]=4 3708 B11R1.157 CC(C)Sc1cccc(c1)Br 62a_100000210206_100000691529 [1,1,0,0,0,0|2,0,0]=4 3709 B11R1.157 CC(C)Sc1cccc(c1)Br 62a_100000691529_100000210206 [1,1,0,0,0,0|2,0,0]=4 3710 B11R1.157 CC(C)Sc1cccc(c1)Cl 62a_100000210206_100000699651 [1,1,0,0,0,0|2,0,0]=4 3711 B11R1.157 CC(C)Sc1cccc(c1)Cl 62a_100000699651_100000210206 [1,1,0,0,0,0|2,0,0]=4 3712 B11R1.157 CC(C)Sc1cccc(c1)F 62a_100000210206_100000685547 [1,1,0,0,0,0|2,0,0]=4 3713 B11R1.157 CC(C)Sc1cccc(c1)F 62a_100000685547_100000210206 [1,1,0,0,0,0|2,0,0]=4 3714 B11R1.157 CC(C)Sc1cccc(c1)N 62a_100000210019_100000210206 [1,1,0,0,0,0|2,0,0]=4 3715 B11R1.157 CC(C)Sc1cccc(c1)N 62a_100000210206_100000210019 [1,1,0,0,0,0|2,0,0]=4 3716 B11R1.157 CC(C)Sc1cccc(c1)O 271570a_203496583355_100009815759 [1,1,0,0,0,0|2,0,0]=4 3717 B11R1.157 CC(C)Sc1cccc(c1)O 62a_100000210206_100000211634 [1,1,0,0,0,0|2,0,0]=4 3718 B11R1.157 CC(C)Sc1cccc(c1)[S] 62a_100000210206_114929384022 [1,1,0,0,0,0|2,0,0]=4 3719 B11R1.157 CC(C)Sc1cccc(c1)[S] 62a_114929384022_100000210206 [1,1,0,0,0,0|2,0,0]=4 3720 B11R1.157 CN(C)Cc1cccc(c1)Br 2230a_100000187585_200000210301 [1,1,0,0,0,0|2,0,0]=4 3721 B11R1.157 CN(C)Cc1cccc(c1)Br 2230a_100102631434_100000698116 [1,1,0,0,0,0|2,0,0]=4 3722 B11R1.157 CN(C)Cc1cccc(c1)Br 269982a_100000187585_200000210301 [1,1,0,0,0,0|2,0,0]=4 3723 B11R1.157 CN(C)Cc1cccc(c1)Br 269982a_100102631434_100000211773 [1,1,0,0,0,0|2,0,0]=4 3724 B11R1.157 CN(C)Cc1cccc(c1)Br 270004a_100102631434_100000210085 [1,1,0,0,0,0|2,0,0]=4 3725 B11R1.157 CN(C)Cc1cccc(c1)Cl 2230a_100020629429_200000210301 [1,1,0,0,0,0|2,0,0]=4 3726 B11R1.157 CN(C)Cc1cccc(c1)Cl 2230a_100102631434_100000181238 [1,1,0,0,0,0|2,0,0]=4 3727 B11R1.157 CN(C)Cc1cccc(c1)Cl 269982a_100020629429_200000210301 [1,1,0,0,0,0|2,0,0]=4 3728 B11R1.157 CN(C)Cc1cccc(c1)Cl 269982a_100102631434_100000181238 [1,1,0,0,0,0|2,0,0]=4 3729 B11R1.157 CN(C)Cc1cccc(c1)Cl 270004a_100102631434_100000210801 [1,1,0,0,0,0|2,0,0]=4 3730 B11R1.157 CN(C)Cc1cccc(c1)F 2230a_100000184398_200000210301 [1,1,0,0,0,0|2,0,0]=4 3731 B11R1.157 CN(C)Cc1cccc(c1)F 2230a_100102631434_100000230114 [1,1,0,0,0,0|2,0,0]=4 3732 B11R1.157 CN(C)Cc1cccc(c1)F 269982a_100000184398_200000210301 [1,1,0,0,0,0|2,0,0]=4 3733 B11R1.157 CN(C)Cc1cccc(c1)F 269982a_100102631434_100000230114 [1,1,0,0,0,0|2,0,0]=4 3734 B11R1.157 CN(C)Cc1cccc(c1)F 270004a_100102631434_100000210812 [1,1,0,0,0,0|2,0,0]=4 3735 B11R1.157 CN(C)Cc1cccc(c1)F 34a_100000184398_200000210301 [1,1,0,0,0,0|2,0,0]=4 3736 B11R1.157 CN(C)Cc1cccc(c1)I 2230a_100102631434_100011218688 [1,1,0,0,0,0|2,0,0]=4 3737 B11R1.157 CN(C)Cc1cccc(c1)I 269982a_100102631434_100011218688 [1,1,0,0,0,0|2,0,0]=4 3738 B11R1.157 CN(C)Cc1cccc(c1)I 270004a_100102631434_100000014684 [1,1,0,0,0,0|2,0,0]=4 3739 B11R1.157 CN(C)Cc1cccc(c1)O 2230a_100000207540_200000210301 [1,1,0,0,0,0|2,0,0]=4 3740 B11R1.157 CN(C)Cc1cccc(c1)O 2230a_100102631434_100011660834 [1,1,0,0,0,0|2,0,0]=4 3741 B11R1.157 CN(C)Cc1cccc(c1)O 269982a_100000207540_200000210301 [1,1,0,0,0,0|2,0,0]=4 3742 B11R1.157 CN(C)Cc1cccc(c1)O 269982a_100102631434_100000084143 [1,1,0,0,0,0|2,0,0]=4 3743 B11R1.157 CN(C)Cc1cccc(c1)O 270004a_100102631434_100000188321 [1,1,0,0,0,0|2,0,0]=4 3744 B11R1.157 CN(C)Cc1cccc(c1)O 271570a_203496583355_100000174759 [1,1,0,0,0,0|2,0,0]=4 3745 B11R1.157 CN([13CH3])Cc1cccc(c1)Br 2230a_100000187585_200025704644 [1,1,0,0,0,0|2,0,0]=4 3746 B11R1.157 CN([13CH3])Cc1cccc(c1)Br 269982a_100000187585_200025704644 [1,1,0,0,0,0|2,0,0]=4 3747 B11R1.157 CN([13CH3])Cc1cccc(c1)Cl 2230a_100020629429_200025704644 [1,1,0,0,0,0|2,0,0]=4 3748 B11R1.157 CN([13CH3])Cc1cccc(c1)Cl 269982a_100020629429_200025704644 [1,1,0,0,0,0|2,0,0]=4 3749 B11R1.157 CN([13CH3])Cc1cccc(c1)F 2230a_100000184398_200025704644 [1,1,0,0,0,0|2,0,0]=4 3750 B11R1.157 CN([13CH3])Cc1cccc(c1)F 269982a_100000184398_200025704644 [1,1,0,0,0,0|2,0,0]=4 3751 B11R1.157 CN([13CH3])Cc1cccc(c1)F 34a_100000184398_200025704644 [1,1,0,0,0,0|2,0,0]=4 3752 B11R1.157 CN([13CH3])Cc1cccc(c1)O 2230a_100000207540_200025704644 [1,1,0,0,0,0|2,0,0]=4 3753 B11R1.157 CN([13CH3])Cc1cccc(c1)O 269982a_100000207540_200025704644 [1,1,0,0,0,0|2,0,0]=4 3754 B11R1.157 Cc1cccc(c1)CC(=O)[13CH3] 1458a_100011206899_200025704644 [1,1,0,0,0,0|1,0,1]=4 3755 B11R1.157 Cc1cccc(c1)CN(C)C 2230a_100102631434_100000211840 [1,1,0,0,0,0|2,0,0]=4 3756 B11R1.157 Cc1cccc(c1)CN(C)C 2230a_102495364743_200000210301 [1,1,0,0,0,0|2,0,0]=4 3757 B11R1.157 Cc1cccc(c1)CN(C)C 269982a_100102631434_100000211840 [1,1,0,0,0,0|2,0,0]=4 3758 B11R1.157 Cc1cccc(c1)CN(C)C 269982a_102495364743_200000210301 [1,1,0,0,0,0|2,0,0]=4 3759 B11R1.157 Cc1cccc(c1)CN(C)C 270004a_100102631434_100000211157 [1,1,0,0,0,0|2,0,0]=4 3760 B11R1.157 Cc1cccc(c1)CN(C)C 34a_102495364743_200000210301 [1,1,0,0,0,0|2,0,0]=4 3761 B11R1.157 Cc1cccc(c1)CN(C)[13CH3] 2230a_102495364743_200025704644 [1,1,0,0,0,0|2,0,0]=4 3762 B11R1.157 Cc1cccc(c1)CN(C)[13CH3] 269982a_102495364743_200025704644 [1,1,0,0,0,0|2,0,0]=4 3763 B11R1.157 Cc1cccc(c1)CN(C)[13CH3] 34a_102495364743_200025704644 [1,1,0,0,0,0|2,0,0]=4 3764 B11R1.157 Cc1cccc(c1)NC(C)C 2230a_100000188690_100000210206 [1,1,0,0,0,0|2,0,0]=4 3765 B11R1.157 Cc1cccc(c1)NC(C)C 34a_100000188690_100000210206 [1,1,0,0,0,0|2,0,0]=4 3766 B11R1.157 Cc1cccc(c1)OC(C)C 34a_100000210337_100000210206 [1,1,0,0,0,0|2,0,0]=4 3767 B11R1.157 Cc1cccc(c1)OC(C)C 7a_100000210337_100000210206 [1,1,0,0,0,0|2,0,0]=4 3768 B11R1.157 Cc1cccc(c1)SC(C)C 62a_100000210206_100011215228 [1,1,0,0,0,0|2,0,0]=4 3769 B11R1.157 Cc1cccc(c1)SC(C)C 62a_100011215228_100000210206 [1,1,0,0,0,0|2,0,0]=4 3770 B11R1.157 NC(=O)Cc1cccc(c1)O 271570a_203496583355_100011586816 [1,1,0,0,0,0|0,0,2]=4 3771 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)Br 1458a_100000747190_200025704644 [1,1,0,0,0,0|1,0,1]=4 3772 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)Cl 1458a_100000749307_200025704644 [1,1,0,0,0,0|1,0,1]=4 3773 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)F 1458a_100000211661_200025704644 [1,1,0,0,0,0|1,0,1]=4 3774 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)I 1458a_100000238430_200025704644 [1,1,0,0,0,0|1,0,1]=4 3775 B11R1.157 [13CH3]C(=O)Cc1cccc(c1)O 1458a_100000745134_200025704644 [1,1,0,0,0,0|1,0,1]=4 3776 B11R1.509 CC(C)(C)Nc1ccccc1 34a_100000106764_100000210625 [1,1,0,0,0,0|2,0,0]=4 3777 B11R1.509 CC(C)(C)Oc1ccccc1 34a_100000210340_100000210625 [1,1,0,0,0,0|2,0,0]=4 3778 B11R1.509 CC(C)(C)Sc1ccccc1 62a_100000211941_100000041952 [1,1,0,0,0,0|2,0,0]=4 3779 B11R1.509 CC(C)(C)Sc1ccccc1 62a_100000719477_100000211941 [1,1,0,0,0,0|2,0,0]=4 3780 B11R1.12 C=CC(NC)c1ccccc1 2230a_106832991635_200000085779 [0,1,0,0,1,0|1,0,1]=4 3781 B11R1.12 CCC(NC)c1ccccc1 2230a_100000737752_200000210301 [0,1,0,0,1,0|1,0,0]=3 3782 B11R1.12 CCC(NC)c1ccccc1 269862a_106832991636_100000210124 [0,1,0,0,1,0|1,0,0]=3 3783 B11R1.12 CCC(NC)c1ccccn1 2230a_100015186561_200000210301 [0,1,0,0,1,0|2,0,0]=4 3784 B11R1.12 CCC(NC)c1ccccn1 269862a_106832991636_100000748178 [0,1,0,0,1,0|2,0,0]=4 3785 B11R1.12 CCC(NC)c1cccnc1 2230a_100000246009_200000210301 [0,1,0,0,1,0|2,0,0]=4 3786 B11R1.12 CCC(NC)c1cccnc1 269862a_106832991636_100011218761 [0,1,0,0,1,0|2,0,0]=4 3787 B11R1.12 CCC(NC)c1ccncc1 269862a_106832991636_100011216016 [0,1,0,0,1,0|2,0,0]=4 3788 B11R1.12 CCC(N[13CH3])c1ccccc1 2230a_100000737752_200025704644 [0,1,0,0,1,0|1,0,0]=3 3789 B11R1.12 CCC(N[13CH3])c1ccccn1 2230a_100015186561_200025704644 [0,1,0,0,1,0|2,0,0]=4 3790 B11R1.12 CCC(N[13CH3])c1cccnc1 2230a_100000246009_200025704644 [0,1,0,0,1,0|2,0,0]=4 3791 B11R1.12 CCC(OC)c1ccccc1 34a_100000698172_200000210301 [0,1,0,0,1,0|2,0,0]=4 3792 B11R1.12 CCC(OC)c1ccccc1 7a_100000698172_200000210301 [0,1,0,0,1,0|2,0,0]=4 3793 B11R1.12 CCC(O[13CH3])c1ccccc1 34a_100000698172_200025704644 [0,1,0,0,1,0|2,0,0]=4 3794 B11R1.12 CCC(O[13CH3])c1ccccc1 7a_100000698172_200025704644 [0,1,0,0,1,0|2,0,0]=4 3795 B11R1.12 CNC(CO)c1ccccn1 2230a_100015196888_200000210301 [0,1,0,0,1,0|1,0,0]=3 3796 B11R1.12 CN[C@H](CO)c1ccccc1 2230a_100000751927_200000210301 [0,1,0,0,1,0|0,0,0]=2 3797 B11R1.12 CN[C@H](CO)c1ccccc1 34a_100000751927_200000210301 [0,1,0,0,1,0|0,0,0]=2 3798 B11R1.12 CN[C@H](CO)c1ccncc1 2230a_100138412524_200000210301 [0,1,0,0,1,0|1,0,0]=3 3799 B11R1.12 COC(CBr)c1ccccc1 7a_100000185958_200000210301 [0,1,0,0,1,0|2,0,0]=4 3800 B11R1.12 COC(CN)c1ccccc1 34a_100000210709_200000210301 [0,1,0,0,1,0|2,0,0]=4 3801 B11R1.12 CO[C@H](CCl)c1ccccc1 34a_100011933945_200000210301 [0,1,0,0,1,0|2,0,0]=4 3802 B11R1.12 CO[C@H](CCl)c1ccccc1 7a_100011933945_200000210301 [0,1,0,0,1,0|2,0,0]=4 3803 B11R1.12 [13CH3]NC(CO)c1ccccn1 2230a_100015196888_200025704644 [0,1,0,0,1,0|1,0,0]=3 3804 B11R1.12 [13CH3]N[C@H](CO)c1ccccc1 2230a_100000751927_200025704644 [0,1,0,0,1,0|0,0,0]=2 3805 B11R1.12 [13CH3]N[C@H](CO)c1ccccc1 34a_100000751927_200025704644 [0,1,0,0,1,0|0,0,0]=2 3806 B11R1.12 [13CH3]N[C@H](CO)c1ccncc1 2230a_100138412524_200025704644 [0,1,0,0,1,0|1,0,0]=3 3807 B11R1.12 [13CH3]OC(CBr)c1ccccc1 7a_100000185958_200025704644 [0,1,0,0,1,0|2,0,0]=4 3808 B11R1.12 [13CH3]OC(CN)c1ccccc1 34a_100000210709_200025704644 [0,1,0,0,1,0|2,0,0]=4 3809 B11R1.12 [13CH3]O[C@H](CCl)c1ccccc1 34a_100011933945_200025704644 [0,1,0,0,1,0|2,0,0]=4 3810 B11R1.12 [13CH3]O[C@H](CCl)c1ccccc1 7a_100011933945_200025704644 [0,1,0,0,1,0|2,0,0]=4 3811 B11R1.22 CCC(C)c1ccc(cc1)O 271570a_203496583355_100011221364 [0,1,0,0,1,0|2,0,0]=4 3812 B11R1.22 CCC(O)c1ccc(cc1)O 271570a_203496583355_100000246506 [0,1,0,0,1,0|2,0,0]=4 3813 B11R1.22 CC[C@H](N)c1ccc(cc1)O 271570a_203496583355_100025736560 [0,1,0,0,1,0|1,0,0]=3 3814 B11R1.22 N#CC(N)c1ccc(cc1)O 271570a_203496583355_106722365845 [0,1,0,0,1,0|1,0,1]=4 3815 B11R1.22 NC(CO)c1ccc(cc1)O 271570a_203496583355_100000734186 [0,1,0,0,1,0|0,0,0]=2 3816 B11R1.22 NCC(O)c1ccc(cc1)O 271570a_203496583355_100020626992 [0,1,0,0,1,0|2,0,0]=4 3817 B11R1.22 O=C(CO)c1ccc(cc1)O 271570a_203496583355_100011219529 [0,1,0,0,1,0|1,0,1]=4 3818 B11R1.22 OCC(O)c1ccc(cc1)O 271570a_203496583355_200012355997 [0,1,0,0,1,0|1,0,0]=3 3819 B11R1.23 CCC(O)c1cccc(c1)O 271570a_203496583355_200013212081 [0,1,0,0,1,0|2,0,0]=4 3820 B11R1.23 CC[C@H](N)c1cccc(c1)O 271570a_203496583355_100102422761 [0,1,0,0,1,0|1,0,0]=3 3821 B11R1.23 NC(CO)c1cccc(c1)O 271570a_203496583355_100000690078 [0,1,0,0,1,0|0,0,0]=2 3822 B11R1.222 NCC(O)c1ccccc1O 271570a_203496583355_100011236429 [0,1,0,0,1,0|2,0,0]=4 3823 B11R1.222 N[C@H](CO)c1ccccc1O 271570a_203496583355_100161155918 [0,1,0,0,1,0|0,0,0]=2 3824 B11R1.84 CCC(Cc1ccco1)NC 270004a_106832991635_200011996595 [0,1,0,0,1,0|2,0,0]=4 3825 B11R1.84 CN[C@H](CO)Cc1c[nH]cn1 2230a_100016995062_200000210301 [0,1,0,0,1,0|2,0,0]=4 3826 B11R1.84 [13CH3]N[C@H](CO)Cc1c[nH]cn1 2230a_100016995062_200025704644 [0,1,0,0,1,0|2,0,0]=4 3827 B13R1.11 CC(CC(=O)CO)c1ccccc1 1458a_100000210174_100000756946 [0,1,0,0,0,1|1,0,1]=4 3828 B13R1.11 CC(CF)OC(C)c1ccccc1 34a_100016041109_100000211855 [0,1,0,0,0,1|2,0,0]=4 3829 B13R1.11 CC(CF)OC(C)c1ccccc1 7a_100016041109_100000230085 [0,1,0,0,0,1|2,0,0]=4 3830 B13R1.11 CC(CN)OC(C)c1ccccc1 34a_100000210904_100000211855 [0,1,0,0,0,1|2,0,0]=4 3831 B13R1.11 CC(CO)NC(C)c1ccccn1 2230a_100000181244_100012180447 [0,1,0,0,0,1|2,0,0]=4 3832 B13R1.11 CC(CO)NC(C)c1cccnc1 2230a_100000195435_100012180447 [0,1,0,0,0,1|2,0,0]=4 3833 B13R1.11 CC(CO)NC(C)c1ccncc1 2230a_100000181269_100012180447 [0,1,0,0,0,1|2,0,0]=4 3834 B13R1.11 CC(CO)N[C@H](C)c1ccccc1 2230a_100000751104_100012180447 [0,1,0,0,0,1|1,0,0]=3 3835 B13R1.11 CC(CO)O[C@H](C)c1ccccc1 34a_100000761318_100012180447 [0,1,0,0,0,1|1,0,0]=3 3836 B13R1.11 CC(CO)O[C@H](C)c1ccccc1 7a_100000761318_100012180447 [0,1,0,0,0,1|1,0,0]=3 3837 B13R1.11 CC(CO)SC(C)c1ccccc1 62a_100012180447_100000230085 [0,1,0,0,0,1|1,0,0]=3 3838 B13R1.11 CC(N[C@H](C)CF)c1ccccc1 269862a_100102880703_100000185851 [0,1,0,0,0,1|2,0,0]=4 3839 B13R1.11 CC(N[C@H](C)CO)c1ccccc1 2230a_100000737577_100000230085 [0,1,0,0,0,1|1,0,0]=3 3840 B13R1.11 CC(N[C@H](C)CO)c1ccccc1 269862a_100000737577_100000185851 [0,1,0,0,0,1|1,0,0]=3 3841 B13R1.11 CC(N[C@H](C)CO)c1ccccn1 269862a_100000737577_100000210467 [0,1,0,0,0,1|2,0,0]=4 3842 B13R1.11 CC(N[C@H](C)CO)c1cccnc1 269862a_100000737577_100000210468 [0,1,0,0,0,1|2,0,0]=4 3843 B13R1.11 CC(N[C@H](C)CO)c1ccncc1 269862a_100000737577_100000185792 [0,1,0,0,0,1|2,0,0]=4 3844 B13R1.11 CC(S[C@H](C)CO)c1ccccc1 62a_100000230085_100016084084 [0,1,0,0,0,1|1,0,0]=3 3845 B13R1.11 CC(S[C@H](C)CO)c1ccccc1 62a_100016084084_100000230085 [0,1,0,0,0,1|1,0,0]=3 3846 B13R1.11 CCC(C)CC(=O)c1ccccc1 1458a_100000185807_100000748023 [0,1,0,0,0,1|2,0,0]=4 3847 B13R1.11 CCC(C)CN(C)c1ccccc1 2230a_100000210012_100000748023 [0,1,0,0,0,1|2,0,0]=4 3848 B13R1.11 CCC(C)CN(C)c1ccccc1 269982a_100000210012_100000748023 [0,1,0,0,0,1|2,0,0]=4 3849 B13R1.11 CCC(C)CN(C)c1ccccc1 34a_100000210012_100000748023 [0,1,0,0,0,1|2,0,0]=4 3850 B13R1.11 CCC(C)NC(C)c1ccccc1 2230a_100000209981_100000230085 [0,1,0,0,0,1|2,0,0]=4 3851 B13R1.11 CCC(C)NC(C)c1ccccc1 269862a_100000209981_100000185851 [0,1,0,0,0,1|2,0,0]=4 3852 B13R1.11 CCC(C)N[C@H](C)c1ccccc1 2230a_100000751104_100000758301 [0,1,0,0,0,1|2,0,0]=4 3853 B13R1.11 CCC(C)OC(C)c1ccccc1 7a_100000210228_100000230085 [0,1,0,0,0,1|2,0,0]=4 3854 B13R1.11 CCC(C)O[C@H](C)c1ccccc1 34a_100000761318_100011215416 [0,1,0,0,0,1|2,0,0]=4 3855 B13R1.11 CCC(C)O[C@H](C)c1ccccc1 7a_100000761318_100000758301 [0,1,0,0,0,1|2,0,0]=4 3856 B13R1.11 CCC(C)SC(C)c1ccccc1 62a_100000230085_100000758301 [0,1,0,0,0,1|2,0,0]=4 3857 B13R1.11 CCC(C)SC(C)c1ccccc1 62a_100000758301_100000230085 [0,1,0,0,0,1|2,0,0]=4 3858 B13R1.11 CCC(O)CC(=O)c1ccccc1 1458a_100000185807_100011218378 [0,1,0,0,0,1|2,0,0]=4 3859 B13R1.11 CCC(O)CN(C)c1ccccc1 2230a_100000210012_100011218378 [0,1,0,0,0,1|2,0,0]=4 3860 B13R1.11 CCC(O)CN(C)c1ccccc1 269982a_100000210012_100011218378 [0,1,0,0,0,1|2,0,0]=4 3861 B13R1.11 CCC(O)CN(C)c1ccccc1 34a_100000210012_100011218378 [0,1,0,0,0,1|2,0,0]=4 3862 B13R1.11 CC[C@H](C)CC(=O)c1ccccc1 1458a_100000185807_100009816398 [0,1,0,0,0,1|2,0,0]=4 3863 B13R1.11 CC[C@H](C)CN(C)c1ccccc1 2230a_100000210012_100009816398 [0,1,0,0,0,1|2,0,0]=4 3864 B13R1.11 CC[C@H](C)CN(C)c1ccccc1 269982a_100000210012_100009816398 [0,1,0,0,0,1|2,0,0]=4 3865 B13R1.11 CC[C@H](C)CN(C)c1ccccc1 34a_100000210012_100009816398 [0,1,0,0,0,1|2,0,0]=4 3866 B13R1.11 CN(CC(O)CO)c1ccccc1 2230a_100000210012_100011219619 [0,1,0,0,0,1|1,0,0]=3 3867 B13R1.11 CN(CC(O)CO)c1ccccc1 34a_100000210012_100011219619 [0,1,0,0,0,1|1,0,0]=3 3868 B13R1.11 CN(C[C@@H](O)CF)c1ccccc1 2230a_100000210012_100015614560 [0,1,0,0,0,1|2,0,0]=4 3869 B13R1.11 CN(C[C@@H](O)CF)c1ccccc1 34a_100000210012_100015614560 [0,1,0,0,0,1|2,0,0]=4 3870 B13R1.11 CN(C[C@@H](O)CO)c1ccccc1 2230a_100000210012_100009815848 [0,1,0,0,0,1|1,0,0]=3 3871 B13R1.11 CN(C[C@@H](O)CO)c1ccccc1 34a_100000210012_100009815848 [0,1,0,0,0,1|1,0,0]=3 3872 B13R1.11 C[C@@H](CO)CC(=O)c1ccccc1 1458a_100000185807_100000059175 [0,1,0,0,0,1|1,0,0]=3 3873 B13R1.11 C[C@@H](CO)CN(C)c1ccccc1 2230a_100000210012_100000059175 [0,1,0,0,0,1|1,0,0]=3 3874 B13R1.11 C[C@@H](CO)CN(C)c1ccccc1 269982a_100000210012_100000059175 [0,1,0,0,0,1|1,0,0]=3 3875 B13R1.11 C[C@@H](CO)CN(C)c1ccccc1 34a_100000210012_100000059175 [0,1,0,0,0,1|1,0,0]=3 3876 B13R1.11 C[C@@H](NC(=O)CO)c1ccccc1 240690a_100000751104_100000210174 [0,1,0,0,0,1|1,0,1]=4 3877 B13R1.11 C[C@@H](NC(=O)CO)c1ccccc1 527a_100000751104_100000210174 [0,1,0,0,0,1|1,0,1]=4 3878 B13R1.11 C[C@H](CO)NC(=O)c1ccccc1 240690a_100000737577_100000185807 [0,1,0,0,0,1|1,0,1]=4 3879 B13R1.11 C[C@H](CO)NC(=O)c1ccccc1 527a_100000737577_100000185807 [0,1,0,0,0,1|1,0,1]=4 3880 B13R1.11 O=C(CO)CC(=O)c1ccccc1 1458a_100000210174_100000211460 [0,1,0,0,0,1|1,0,1]=4 3881 B13R1.11 O=C(CO)CC(O)c1ccccc1 1458a_100000210174_100000185958 [0,1,0,0,0,1|1,0,1]=4 3882 B13R1.11 O=C(CO)C[C@@H](O)c1ccccc1 1458a_100000210174_100011933945 [0,1,0,0,0,1|1,0,1]=4 3883 B13R1.14 CC(CF)OCc1ccc(cc1)Br 34a_100016041109_100000189115 [0,1,0,0,0,1|2,0,0]=4 3884 B13R1.14 CC(CF)OCc1ccc(cc1)Br 7a_100016041109_100011217064 [0,1,0,0,0,1|2,0,0]=4 3885 B13R1.14 CC(CF)OCc1ccc(cc1)Cl 34a_100016041109_100000694040 [0,1,0,0,0,1|2,0,0]=4 3886 B13R1.14 CC(CF)OCc1ccc(cc1)Cl 7a_100016041109_100000187161 [0,1,0,0,0,1|2,0,0]=4 3887 B13R1.14 CC(CF)OCc1ccc(cc1)F 34a_100016041109_100000198546 [0,1,0,0,0,1|2,0,0]=4 3888 B13R1.14 CC(CF)OCc1ccc(cc1)F 7a_100016041109_100000198546 [0,1,0,0,0,1|2,0,0]=4 3889 B13R1.14 CC(CF)OCc1ccc(cc1)I 34a_100016041109_100000189116 [0,1,0,0,0,1|2,0,0]=4 3890 B13R1.14 CC(CF)OCc1ccc(cc1)I 7a_100016041109_100000189116 [0,1,0,0,0,1|2,0,0]=4 3891 B13R1.14 CC(CN)OCc1ccc(cc1)Br 34a_100000210904_100000189115 [0,1,0,0,0,1|2,0,0]=4 3892 B13R1.14 CC(CN)OCc1ccc(cc1)Cl 34a_100000210904_100000694040 [0,1,0,0,0,1|2,0,0]=4 3893 B13R1.14 CC(CN)OCc1ccc(cc1)F 34a_100000210904_100000198546 [0,1,0,0,0,1|2,0,0]=4 3894 B13R1.14 CC(CN)OCc1ccc(cc1)I 34a_100000210904_100000189116 [0,1,0,0,0,1|2,0,0]=4 3895 B13R1.14 CC(CO)CNc1ccc(cn1)Br 27a_100000744482_100000686858 [0,1,0,0,0,1|2,0,0]=4 3896 B13R1.14 CC(CO)NCc1ccc(cc1)Br 2230a_100000174875_100012180447 [0,1,0,0,0,1|1,0,0]=3 3897 B13R1.14 CC(CO)NCc1ccc(cc1)Br 34a_100000174875_100012180447 [0,1,0,0,0,1|1,0,0]=3 3898 B13R1.14 CC(CO)NCc1ccc(cc1)Cl 2230a_100000174871_100012180447 [0,1,0,0,0,1|1,0,0]=3 3899 B13R1.14 CC(CO)NCc1ccc(cc1)Cl 34a_100000174871_100012180447 [0,1,0,0,0,1|1,0,0]=3 3900 B13R1.14 CC(CO)NCc1ccc(cc1)F 2230a_100000174882_100012180447 [0,1,0,0,0,1|1,0,0]=3 3901 B13R1.14 CC(CO)NCc1ccc(cc1)F 34a_100000174882_100012180447 [0,1,0,0,0,1|1,0,0]=3 3902 B13R1.14 CC(CO)NCc1ccc(cc1)I 2230a_100016989417_100012180447 [0,1,0,0,0,1|1,0,0]=3 3903 B13R1.14 CC(CO)NCc1ccc(cc1)I 34a_100016989417_100012180447 [0,1,0,0,0,1|1,0,0]=3 3904 B13R1.14 CC(CO)NCc1ccc(cc1)O 34a_100000185549_100012180447 [0,1,0,0,0,1|1,0,0]=3 3905 B13R1.14 CC(CO)NCc1ccc(cn1)Br 34a_100015188789_100012180447 [0,1,0,0,0,1|2,0,0]=4 3906 B13R1.14 CC(CO)NCc1ccc(cn1)Cl 34a_100000697193_100012180447 [0,1,0,0,0,1|2,0,0]=4 3907 B13R1.14 CC(CO)NCc1ccc(cn1)F 34a_100020620131_100012180447 [0,1,0,0,0,1|2,0,0]=4 3908 B13R1.14 CC(CO)NCc1ccc(nc1)Br 2230a_100009817727_100012180447 [0,1,0,0,0,1|2,0,0]=4 3909 B13R1.14 CC(CO)NCc1ccc(nc1)Br 34a_100009817727_100012180447 [0,1,0,0,0,1|2,0,0]=4 3910 B13R1.14 CC(CO)NCc1ccc(nc1)Cl 2230a_100000735879_100012180447 [0,1,0,0,0,1|2,0,0]=4 3911 B13R1.14 CC(CO)NCc1ccc(nc1)Cl 34a_100000735879_100012180447 [0,1,0,0,0,1|2,0,0]=4 3912 B13R1.14 CC(CO)NCc1ccc(nc1)F 2230a_100000101913_100012180447 [0,1,0,0,0,1|2,0,0]=4 3913 B13R1.14 CC(CO)NCc1ccc(nc1)F 34a_100000101913_100012180447 [0,1,0,0,0,1|2,0,0]=4 3914 B13R1.14 CC(CO)NCc1ccc(nc1)O 2230a_100000757128_100012180447 [0,1,0,0,0,1|2,0,0]=4 3915 B13R1.14 CC(CO)OCc1cc[n+](cc1)C 34a_100009831711_100012180447 [0,1,0,0,0,1|2,0,0]=4 3916 B13R1.14 CC(CO)OCc1cc[n+](cc1)[O-] 34a_100000031831_100012180447 [0,1,0,0,0,1|2,0,0]=4 3917 B13R1.14 CC(CO)OCc1cc[n+](cc1)[O-] 7a_100000031831_100012180447 [0,1,0,0,0,1|2,0,0]=4 3918 B13R1.14 CC(CO)OCc1ccc(=O)[nH]c1 34a_100011999846_100012180447 [0,1,0,0,0,1|2,0,0]=4 3919 B13R1.14 CC(CO)OCc1ccc(cc1)Br 34a_100000695286_100012180447 [0,1,0,0,0,1|1,0,0]=3 3920 B13R1.14 CC(CO)OCc1ccc(cc1)Cl 34a_100000211118_100012180447 [0,1,0,0,0,1|1,0,0]=3 3921 B13R1.14 CC(CO)OCc1ccc(cc1)Cl 7a_100000211118_100012180447 [0,1,0,0,0,1|1,0,0]=3 3922 B13R1.14 CC(CO)OCc1ccc(cc1)F 34a_100000210977_100012180447 [0,1,0,0,0,1|1,0,0]=3 3923 B13R1.14 CC(CO)OCc1ccc(cc1)F 7a_100000210977_100012180447 [0,1,0,0,0,1|1,0,0]=3 3924 B13R1.14 CC(CO)OCc1ccc(cc1)I 34a_100000690907_100012180447 [0,1,0,0,0,1|1,0,0]=3 3925 B13R1.14 CC(CO)OCc1ccc(cc1)I 7a_100000690907_100012180447 [0,1,0,0,0,1|1,0,0]=3 3926 B13R1.14 CC(CO)OCc1ccc(cc1)N 34a_100011215238_100012180447 [0,1,0,0,0,1|1,0,0]=3 3927 B13R1.14 CC(CO)OCc1ccc(cn1)Br 34a_100000754261_100012180447 [0,1,0,0,0,1|2,0,0]=4 3928 B13R1.14 CC(CO)OCc1ccc(cn1)Cl 34a_100000703999_100012180447 [0,1,0,0,0,1|2,0,0]=4 3929 B13R1.14 CC(CO)OCc1ccc(cn1)F 34a_100011999454_100012180447 [0,1,0,0,0,1|2,0,0]=4 3930 B13R1.14 CC(CO)OCc1ccc(cn1)N 34a_100011998161_100012180447 [0,1,0,0,0,1|2,0,0]=4 3931 B13R1.14 CC(CO)OCc1ccc(nc1)Br 34a_100009816760_100012180447 [0,1,0,0,0,1|2,0,0]=4 3932 B13R1.14 CC(CO)OCc1ccc(nc1)Br 7a_100009816760_100012180447 [0,1,0,0,0,1|2,0,0]=4 3933 B13R1.14 CC(CO)OCc1ccc(nc1)Cl 34a_100000755211_100012180447 [0,1,0,0,0,1|2,0,0]=4 3934 B13R1.14 CC(CO)OCc1ccc(nc1)Cl 7a_100000755211_100012180447 [0,1,0,0,0,1|2,0,0]=4 3935 B13R1.14 CC(CO)OCc1ccc(nc1)F 34a_100000079959_100012180447 [0,1,0,0,0,1|2,0,0]=4 3936 B13R1.14 CC(CO)OCc1ccc(nc1)N 34a_100000704267_100012180447 [0,1,0,0,0,1|2,0,0]=4 3937 B13R1.14 CC(CO)SCc1ccc(cc1)Br 62a_100012180447_100000189115 [0,1,0,0,0,1|1,0,0]=3 3938 B13R1.14 CC(CO)SCc1ccc(cc1)Cl 62a_100012180447_100000187161 [0,1,0,0,0,1|1,0,0]=3 3939 B13R1.14 CC(CO)SCc1ccc(cc1)F 62a_100012180447_100000187164 [0,1,0,0,0,1|1,0,0]=3 3940 B13R1.14 CC(CO)SCc1ccc(cc1)I 62a_100012180447_100000189116 [0,1,0,0,0,1|1,0,0]=3 3941 B13R1.14 CC(CO)SCc1ccc(cn1)Br 62a_100012180447_100000702658 [0,1,0,0,0,1|2,0,0]=4 3942 B13R1.14 CC(CO)SCc1ccc(cn1)Cl 62a_100012180447_100000697101 [0,1,0,0,0,1|2,0,0]=4 3943 B13R1.14 CC(CO)SCc1ccc(cn1)F 62a_100012180447_100000703193 [0,1,0,0,0,1|2,0,0]=4 3944 B13R1.14 CC(CO)SCc1ccc(nc1)Br 62a_100012180447_100009831999 [0,1,0,0,0,1|2,0,0]=4 3945 B13R1.14 CC(CO)SCc1ccc(nc1)Cl 62a_100012180447_100000735431 [0,1,0,0,0,1|2,0,0]=4 3946 B13R1.14 CC(CO)SCc1ccc(nc1)F 62a_100012180447_100000099788 [0,1,0,0,0,1|2,0,0]=4 3947 B13R1.14 CCC(C)CNc1ccc(cc1)Br 2230a_100000210018_100000748023 [0,1,0,0,0,1|2,0,0]=4 3948 B13R1.14 CCC(C)CNc1ccc(cc1)Br 34a_100000210018_100000748023 [0,1,0,0,0,1|2,0,0]=4 3949 B13R1.14 CCC(C)CNc1ccc(cc1)C 34a_100000124888_100000748023 [0,1,0,0,0,1|2,0,0]=4 3950 B13R1.14 CCC(C)CNc1ccc(cc1)Cl 2230a_100000210052_100000748023 [0,1,0,0,0,1|2,0,0]=4 3951 B13R1.14 CCC(C)CNc1ccc(cc1)Cl 34a_100000210052_100000748023 [0,1,0,0,0,1|2,0,0]=4 3952 B13R1.14 CCC(C)CNc1ccc(cc1)F 34a_100000185862_100000748023 [0,1,0,0,0,1|2,0,0]=4 3953 B13R1.14 CCC(C)CNc1ccc(cc1)I 34a_100000185761_100000748023 [0,1,0,0,0,1|2,0,0]=4 3954 B13R1.14 CCC(C)CNc1ccc(cc1)O 34a_100000185829_100000748023 [0,1,0,0,0,1|2,0,0]=4 3955 B13R1.14 CCC(C)COc1ccc(cc1)Br 34a_100000185759_100000748023 [0,1,0,0,0,1|2,0,0]=4 3956 B13R1.14 CCC(C)COc1ccc(cc1)Br 7a_100000185759_100000748023 [0,1,0,0,0,1|2,0,0]=4 3957 B13R1.14 CCC(C)COc1ccc(cc1)C 34a_100000210336_100000748023 [0,1,0,0,0,1|2,0,0]=4 3958 B13R1.14 CCC(C)COc1ccc(cc1)C 7a_100000210336_100000748023 [0,1,0,0,0,1|2,0,0]=4 3959 B13R1.14 CCC(C)COc1ccc(cc1)Cl 34a_100000210216_100000748023 [0,1,0,0,0,1|2,0,0]=4 3960 B13R1.14 CCC(C)COc1ccc(cc1)Cl 7a_100000210216_100000748023 [0,1,0,0,0,1|2,0,0]=4 3961 B13R1.14 CCC(C)COc1ccc(cc1)F 34a_100000210339_100000748023 [0,1,0,0,0,1|2,0,0]=4 3962 B13R1.14 CCC(C)COc1ccc(cc1)I 34a_100000212066_100000748023 [0,1,0,0,0,1|2,0,0]=4 3963 B13R1.14 CCC(C)COc1ccc(cc1)I 7a_100000212066_100000748023 [0,1,0,0,0,1|2,0,0]=4 3964 B13R1.14 CCC(C)COc1ccc(cc1)N 34a_100000185829_100000748023 [0,1,0,0,0,1|2,0,0]=4 3965 B13R1.14 CCC(C)CSc1ccc(cc1)Br 62a_100000748023_100000752885 [0,1,0,0,0,1|2,0,0]=4 3966 B13R1.14 CCC(C)CSc1ccc(cc1)Br 62a_100000752885_100000748023 [0,1,0,0,0,1|2,0,0]=4 3967 B13R1.14 CCC(C)CSc1ccc(cc1)C 62a_100000186775_100000748023 [0,1,0,0,0,1|2,0,0]=4 3968 B13R1.14 CCC(C)CSc1ccc(cc1)C 62a_100000748023_100000186775 [0,1,0,0,0,1|2,0,0]=4 3969 B13R1.14 CCC(C)CSc1ccc(cc1)Cl 62a_100000748023_100000755918 [0,1,0,0,0,1|2,0,0]=4 3970 B13R1.14 CCC(C)CSc1ccc(cc1)Cl 62a_100000755918_100000748023 [0,1,0,0,0,1|2,0,0]=4 3971 B13R1.14 CCC(C)CSc1ccc(cc1)F 62a_100000211213_100000748023 [0,1,0,0,0,1|2,0,0]=4 3972 B13R1.14 CCC(C)CSc1ccc(cc1)F 62a_100000748023_100000211213 [0,1,0,0,0,1|2,0,0]=4 3973 B13R1.14 CCC(C)CSc1ccc(cc1)N 62a_100000185761_100000748023 [0,1,0,0,0,1|2,0,0]=4 3974 B13R1.14 CCC(C)CSc1ccc(cc1)N 62a_100000748023_100000185761 [0,1,0,0,0,1|2,0,0]=4 3975 B13R1.14 CCC(C)CSc1ccc(cc1)O 62a_100000748023_100000185759 [0,1,0,0,0,1|2,0,0]=4 3976 B13R1.14 CCC(C)NCc1ccc(cc1)Br 207a_100000209981_100000186029 [0,1,0,0,0,1|2,0,0]=4 3977 B13R1.14 CCC(C)NCc1ccc(cc1)Br 2230a_100000174875_100000758301 [0,1,0,0,0,1|2,0,0]=4 3978 B13R1.14 CCC(C)NCc1ccc(cc1)Br 2230a_100000209981_100011217064 [0,1,0,0,0,1|2,0,0]=4 3979 B13R1.14 CCC(C)NCc1ccc(cc1)Br 270004a_100000209981_100000186029 [0,1,0,0,0,1|2,0,0]=4 3980 B13R1.14 CCC(C)NCc1ccc(cc1)Br 34a_100000174875_100011215416 [0,1,0,0,0,1|2,0,0]=4 3981 B13R1.14 CCC(C)NCc1ccc(cc1)C 207a_100000209981_100000211033 [0,1,0,0,0,1|2,0,0]=4 3982 B13R1.14 CCC(C)NCc1ccc(cc1)C 2230a_100000174908_100000758301 [0,1,0,0,0,1|2,0,0]=4 3983 B13R1.14 CCC(C)NCc1ccc(cc1)C 2230a_100000209981_100000210814 [0,1,0,0,0,1|2,0,0]=4 3984 B13R1.14 CCC(C)NCc1ccc(cc1)C 270004a_100000209981_100000211033 [0,1,0,0,0,1|2,0,0]=4 3985 B13R1.14 CCC(C)NCc1ccc(cc1)C 34a_100000174908_100011215416 [0,1,0,0,0,1|2,0,0]=4 3986 B13R1.14 CCC(C)NCc1ccc(cc1)Cl 207a_100000209981_100000189385 [0,1,0,0,0,1|2,0,0]=4 3987 B13R1.14 CCC(C)NCc1ccc(cc1)Cl 2230a_100000174871_100000758301 [0,1,0,0,0,1|2,0,0]=4 3988 B13R1.14 CCC(C)NCc1ccc(cc1)Cl 2230a_100000209981_100000694040 [0,1,0,0,0,1|2,0,0]=4 3989 B13R1.14 CCC(C)NCc1ccc(cc1)Cl 270004a_100000209981_100000189385 [0,1,0,0,0,1|2,0,0]=4 3990 B13R1.14 CCC(C)NCc1ccc(cc1)Cl 34a_100000174871_100011215416 [0,1,0,0,0,1|2,0,0]=4 3991 B13R1.14 CCC(C)NCc1ccc(cc1)F 207a_100000209981_100000210084 [0,1,0,0,0,1|2,0,0]=4 3992 B13R1.14 CCC(C)NCc1ccc(cc1)F 2230a_100000174882_100000758301 [0,1,0,0,0,1|2,0,0]=4 3993 B13R1.14 CCC(C)NCc1ccc(cc1)F 2230a_100000209981_100000198546 [0,1,0,0,0,1|2,0,0]=4 3994 B13R1.14 CCC(C)NCc1ccc(cc1)F 270004a_100000209981_100000210084 [0,1,0,0,0,1|2,0,0]=4 3995 B13R1.14 CCC(C)NCc1ccc(cc1)F 34a_100000174882_100011215416 [0,1,0,0,0,1|2,0,0]=4 3996 B13R1.14 CCC(C)NCc1ccc(cc1)I 207a_100000209981_100000188517 [0,1,0,0,0,1|2,0,0]=4 3997 B13R1.14 CCC(C)NCc1ccc(cc1)I 2230a_100000209981_100000189116 [0,1,0,0,0,1|2,0,0]=4 3998 B13R1.14 CCC(C)NCc1ccc(cc1)I 2230a_100016989417_100000758301 [0,1,0,0,0,1|2,0,0]=4 3999 B13R1.14 CCC(C)NCc1ccc(cc1)I 34a_100016989417_100011215416 [0,1,0,0,0,1|2,0,0]=4 4000 B13R1.14 CCC(C)NCc1ccc(cc1)O 271570a_203496583355_100015186513 [0,1,0,0,0,1|2,0,0]=4 4001 B13R1.14 CCC(C)NCc1ccc(cc1)O 34a_100000185549_100011215416 [0,1,0,0,0,1|2,0,0]=4 4002 B13R1.14 CCC(C)OCc1ccc(cc1)Br 34a_100000695286_100011215416 [0,1,0,0,0,1|2,0,0]=4 4003 B13R1.14 CCC(C)OCc1ccc(cc1)Br 7a_100000210228_100011217064 [0,1,0,0,0,1|2,0,0]=4 4004 B13R1.14 CCC(C)OCc1ccc(cc1)C 34a_100011215236_100011215416 [0,1,0,0,0,1|2,0,0]=4 4005 B13R1.14 CCC(C)OCc1ccc(cc1)C 7a_100000210228_100000210814 [0,1,0,0,0,1|2,0,0]=4 4006 B13R1.14 CCC(C)OCc1ccc(cc1)C 7a_100011215236_100000758301 [0,1,0,0,0,1|2,0,0]=4 4007 B13R1.14 CCC(C)OCc1ccc(cc1)Cl 34a_100000211118_100011215416 [0,1,0,0,0,1|2,0,0]=4 4008 B13R1.14 CCC(C)OCc1ccc(cc1)Cl 7a_100000210228_100000187161 [0,1,0,0,0,1|2,0,0]=4 4009 B13R1.14 CCC(C)OCc1ccc(cc1)Cl 7a_100000211118_100000758301 [0,1,0,0,0,1|2,0,0]=4 4010 B13R1.14 CCC(C)OCc1ccc(cc1)F 34a_100000210977_100011215416 [0,1,0,0,0,1|2,0,0]=4 4011 B13R1.14 CCC(C)OCc1ccc(cc1)F 7a_100000210228_100000198546 [0,1,0,0,0,1|2,0,0]=4 4012 B13R1.14 CCC(C)OCc1ccc(cc1)F 7a_100000210977_100000758301 [0,1,0,0,0,1|2,0,0]=4 4013 B13R1.14 CCC(C)OCc1ccc(cc1)I 34a_100000690907_100011215416 [0,1,0,0,0,1|2,0,0]=4 4014 B13R1.14 CCC(C)OCc1ccc(cc1)I 7a_100000210228_100000189116 [0,1,0,0,0,1|2,0,0]=4 4015 B13R1.14 CCC(C)OCc1ccc(cc1)I 7a_100000690907_100000758301 [0,1,0,0,0,1|2,0,0]=4 4016 B13R1.14 CCC(C)OCc1ccc(cc1)N 34a_100011215238_100011215416 [0,1,0,0,0,1|2,0,0]=4 4017 B13R1.14 CCC(C)SCc1ccc(cc1)Br 62a_100000189115_100000758301 [0,1,0,0,0,1|2,0,0]=4 4018 B13R1.14 CCC(C)SCc1ccc(cc1)Br 62a_100000758301_100000189115 [0,1,0,0,0,1|2,0,0]=4 4019 B13R1.14 CCC(C)SCc1ccc(cc1)C 62a_100000210814_100000758301 [0,1,0,0,0,1|2,0,0]=4 4020 B13R1.14 CCC(C)SCc1ccc(cc1)C 62a_100000758301_100000210814 [0,1,0,0,0,1|2,0,0]=4 4021 B13R1.14 CCC(C)SCc1ccc(cc1)Cl 62a_100000187161_100000758301 [0,1,0,0,0,1|2,0,0]=4 4022 B13R1.14 CCC(C)SCc1ccc(cc1)Cl 62a_100000758301_100000187161 [0,1,0,0,0,1|2,0,0]=4 4023 B13R1.14 CCC(C)SCc1ccc(cc1)F 62a_100000198546_100000758301 [0,1,0,0,0,1|2,0,0]=4 4024 B13R1.14 CCC(C)SCc1ccc(cc1)F 62a_100000758301_100000187164 [0,1,0,0,0,1|2,0,0]=4 4025 B13R1.14 CCC(C)SCc1ccc(cc1)I 62a_100000189116_100000758301 [0,1,0,0,0,1|2,0,0]=4 4026 B13R1.14 CCC(C)SCc1ccc(cc1)I 62a_100000758301_100000189116 [0,1,0,0,0,1|2,0,0]=4 4027 B13R1.14 CCC(O)CNc1ccc(cc1)Br 2230a_100000210018_100011218378 [0,1,0,0,0,1|2,0,0]=4 4028 B13R1.14 CCC(O)CNc1ccc(cc1)Br 34a_100000210018_100011218378 [0,1,0,0,0,1|2,0,0]=4 4029 B13R1.14 CCC(O)CNc1ccc(cc1)C 34a_100000124888_100011218378 [0,1,0,0,0,1|2,0,0]=4 4030 B13R1.14 CCC(O)CNc1ccc(cc1)Cl 2230a_100000210052_100011218378 [0,1,0,0,0,1|2,0,0]=4 4031 B13R1.14 CCC(O)CNc1ccc(cc1)Cl 34a_100000210052_100011218378 [0,1,0,0,0,1|2,0,0]=4 4032 B13R1.14 CCC(O)CNc1ccc(cc1)F 34a_100000185862_100011218378 [0,1,0,0,0,1|2,0,0]=4 4033 B13R1.14 CCC(O)CNc1ccc(cc1)I 34a_100000185761_100011218378 [0,1,0,0,0,1|2,0,0]=4 4034 B13R1.14 CCC(O)CNc1ccc(cc1)O 34a_100000185829_100011218378 [0,1,0,0,0,1|2,0,0]=4 4035 B13R1.14 CCC(O)COc1ccc(cc1)Br 34a_100000185759_100011218378 [0,1,0,0,0,1|2,0,0]=4 4036 B13R1.14 CCC(O)COc1ccc(cc1)Br 7a_100000185759_100011218378 [0,1,0,0,0,1|2,0,0]=4 4037 B13R1.14 CCC(O)COc1ccc(cc1)C 34a_100000210336_100011218378 [0,1,0,0,0,1|2,0,0]=4 4038 B13R1.14 CCC(O)COc1ccc(cc1)C 7a_100000210336_100011218378 [0,1,0,0,0,1|2,0,0]=4 4039 B13R1.14 CCC(O)COc1ccc(cc1)Cl 34a_100000210216_100011218378 [0,1,0,0,0,1|2,0,0]=4 4040 B13R1.14 CCC(O)COc1ccc(cc1)Cl 7a_100000210216_100011218378 [0,1,0,0,0,1|2,0,0]=4 4041 B13R1.14 CCC(O)COc1ccc(cc1)F 34a_100000210339_100011218378 [0,1,0,0,0,1|2,0,0]=4 4042 B13R1.14 CCC(O)COc1ccc(cc1)I 34a_100000212066_100011218378 [0,1,0,0,0,1|2,0,0]=4 4043 B13R1.14 CCC(O)COc1ccc(cc1)I 7a_100000212066_100011218378 [0,1,0,0,0,1|2,0,0]=4 4044 B13R1.14 CCC(O)COc1ccc(cc1)N 34a_100000185829_100011218378 [0,1,0,0,0,1|2,0,0]=4 4045 B13R1.14 CCC(O)CSc1ccc(cc1)Br 62a_100000752885_100011218378 [0,1,0,0,0,1|2,0,0]=4 4046 B13R1.14 CCC(O)CSc1ccc(cc1)Br 62a_100011218378_100000752885 [0,1,0,0,0,1|2,0,0]=4 4047 B13R1.14 CCC(O)CSc1ccc(cc1)C 62a_100000186775_100011218378 [0,1,0,0,0,1|2,0,0]=4 4048 B13R1.14 CCC(O)CSc1ccc(cc1)C 62a_100011218378_100000186775 [0,1,0,0,0,1|2,0,0]=4 4049 B13R1.14 CCC(O)CSc1ccc(cc1)Cl 62a_100000755918_100011218378 [0,1,0,0,0,1|2,0,0]=4 4050 B13R1.14 CCC(O)CSc1ccc(cc1)Cl 62a_100011218378_100000755918 [0,1,0,0,0,1|2,0,0]=4 4051 B13R1.14 CCC(O)CSc1ccc(cc1)F 62a_100000211213_100011218378 [0,1,0,0,0,1|2,0,0]=4 4052 B13R1.14 CCC(O)CSc1ccc(cc1)F 62a_100011218378_100000211213 [0,1,0,0,0,1|2,0,0]=4 4053 B13R1.14 CCC(O)CSc1ccc(cc1)N 62a_100000185761_100011218378 [0,1,0,0,0,1|2,0,0]=4 4054 B13R1.14 CCC(O)CSc1ccc(cc1)N 62a_100011218378_100000185761 [0,1,0,0,0,1|2,0,0]=4 4055 B13R1.14 CCC(O)CSc1ccc(cc1)O 62a_100011218378_100000185759 [0,1,0,0,0,1|2,0,0]=4 4056 B13R1.14 CC[C@H](C)CNc1ccc(cc1)Br 2230a_100000210018_100009816398 [0,1,0,0,0,1|2,0,0]=4 4057 B13R1.14 CC[C@H](C)CNc1ccc(cc1)Br 34a_100000210018_100009816398 [0,1,0,0,0,1|2,0,0]=4 4058 B13R1.14 CC[C@H](C)CNc1ccc(cc1)C 34a_100000124888_100009816398 [0,1,0,0,0,1|2,0,0]=4 4059 B13R1.14 CC[C@H](C)CNc1ccc(cc1)Cl 2230a_100000210052_100009816398 [0,1,0,0,0,1|2,0,0]=4 4060 B13R1.14 CC[C@H](C)CNc1ccc(cc1)Cl 34a_100000210052_100009816398 [0,1,0,0,0,1|2,0,0]=4 4061 B13R1.14 CC[C@H](C)CNc1ccc(cc1)F 34a_100000185862_100009816398 [0,1,0,0,0,1|2,0,0]=4 4062 B13R1.14 CC[C@H](C)CNc1ccc(cc1)I 34a_100000185761_100009816398 [0,1,0,0,0,1|2,0,0]=4 4063 B13R1.14 CC[C@H](C)CNc1ccc(cc1)O 34a_100000185829_100009816398 [0,1,0,0,0,1|2,0,0]=4 4064 B13R1.14 CC[C@H](C)COc1ccc(cc1)Br 34a_100000185759_100009816398 [0,1,0,0,0,1|2,0,0]=4 4065 B13R1.14 CC[C@H](C)COc1ccc(cc1)Br 7a_100000185759_100009816398 [0,1,0,0,0,1|2,0,0]=4 4066 B13R1.14 CC[C@H](C)COc1ccc(cc1)C 34a_100000210336_100009816398 [0,1,0,0,0,1|2,0,0]=4 4067 B13R1.14 CC[C@H](C)COc1ccc(cc1)C 7a_100000210336_100009816398 [0,1,0,0,0,1|2,0,0]=4 4068 B13R1.14 CC[C@H](C)COc1ccc(cc1)Cl 34a_100000210216_100009816398 [0,1,0,0,0,1|2,0,0]=4 4069 B13R1.14 CC[C@H](C)COc1ccc(cc1)Cl 7a_100000210216_100009816398 [0,1,0,0,0,1|2,0,0]=4 4070 B13R1.14 CC[C@H](C)COc1ccc(cc1)F 34a_100000210339_100009816398 [0,1,0,0,0,1|2,0,0]=4 4071 B13R1.14 CC[C@H](C)COc1ccc(cc1)I 34a_100000212066_100009816398 [0,1,0,0,0,1|2,0,0]=4 4072 B13R1.14 CC[C@H](C)COc1ccc(cc1)I 7a_100000212066_100009816398 [0,1,0,0,0,1|2,0,0]=4 4073 B13R1.14 CC[C@H](C)COc1ccc(cc1)N 34a_100000185829_100009816398 [0,1,0,0,0,1|2,0,0]=4 4074 B13R1.14 CC[C@H](C)CSc1ccc(cc1)Br 62a_100000752885_100009816398 [0,1,0,0,0,1|2,0,0]=4 4075 B13R1.14 CC[C@H](C)CSc1ccc(cc1)Br 62a_100009816398_100000752885 [0,1,0,0,0,1|2,0,0]=4 4076 B13R1.14 CC[C@H](C)CSc1ccc(cc1)C 62a_100000186775_100009816398 [0,1,0,0,0,1|2,0,0]=4 4077 B13R1.14 CC[C@H](C)CSc1ccc(cc1)C 62a_100009816398_100000186775 [0,1,0,0,0,1|2,0,0]=4 4078 B13R1.14 CC[C@H](C)CSc1ccc(cc1)Cl 62a_100000755918_100009816398 [0,1,0,0,0,1|2,0,0]=4 4079 B13R1.14 CC[C@H](C)CSc1ccc(cc1)Cl 62a_100009816398_100000755918 [0,1,0,0,0,1|2,0,0]=4 4080 B13R1.14 CC[C@H](C)CSc1ccc(cc1)F 62a_100000211213_100009816398 [0,1,0,0,0,1|2,0,0]=4 4081 B13R1.14 CC[C@H](C)CSc1ccc(cc1)F 62a_100009816398_100000211213 [0,1,0,0,0,1|2,0,0]=4 4082 B13R1.14 CC[C@H](C)CSc1ccc(cc1)N 62a_100000185761_100009816398 [0,1,0,0,0,1|2,0,0]=4 4083 B13R1.14 CC[C@H](C)CSc1ccc(cc1)N 62a_100009816398_100000185761 [0,1,0,0,0,1|2,0,0]=4 4084 B13R1.14 CC[C@H](C)CSc1ccc(cc1)O 62a_100009816398_100000185759 [0,1,0,0,0,1|2,0,0]=4 4085 B13R1.14 C[C@@H](CO)CNc1ccc(cc1)Br 2230a_100000210018_100000059175 [0,1,0,0,0,1|1,0,0]=3 4086 B13R1.14 C[C@@H](CO)CNc1ccc(cc1)Br 34a_100000210018_100000059175 [0,1,0,0,0,1|1,0,0]=3 4087 B13R1.14 C[C@@H](CO)CNc1ccc(cc1)Cl 2230a_100000210052_100000059175 [0,1,0,0,0,1|1,0,0]=3 4088 B13R1.14 C[C@@H](CO)CNc1ccc(cc1)Cl 34a_100000210052_100000059175 [0,1,0,0,0,1|1,0,0]=3 4089 B13R1.14 C[C@@H](CO)CNc1ccc(cc1)F 34a_100000185862_100000059175 [0,1,0,0,0,1|1,0,0]=3 4090 B13R1.14 C[C@@H](CO)CNc1ccc(cc1)I 34a_100000185761_100000059175 [0,1,0,0,0,1|1,0,0]=3 4091 B13R1.14 C[C@@H](CO)CNc1ccc(cc1)O 34a_100000185829_100000059175 [0,1,0,0,0,1|1,0,0]=3 4092 B13R1.14 C[C@@H](CO)COc1ccc(=O)[nH]c1 34a_100000075641_100000059175 [0,1,0,0,0,1|2,0,0]=4 4093 B13R1.14 C[C@@H](CO)COc1ccc(cc1)Br 34a_100000185759_100000059175 [0,1,0,0,0,1|1,0,0]=3 4094 B13R1.14 C[C@@H](CO)COc1ccc(cc1)Br 7a_100000185759_100000059175 [0,1,0,0,0,1|1,0,0]=3 4095 B13R1.14 C[C@@H](CO)COc1ccc(cc1)Cl 34a_100000210216_100000059175 [0,1,0,0,0,1|1,0,0]=3 4096 B13R1.14 C[C@@H](CO)COc1ccc(cc1)Cl 7a_100000210216_100000059175 [0,1,0,0,0,1|1,0,0]=3 4097 B13R1.14 C[C@@H](CO)COc1ccc(cc1)F 34a_100000210339_100000059175 [0,1,0,0,0,1|1,0,0]=3 4098 B13R1.14 C[C@@H](CO)COc1ccc(cc1)I 34a_100000212066_100000059175 [0,1,0,0,0,1|1,0,0]=3 4099 B13R1.14 C[C@@H](CO)COc1ccc(cc1)I 7a_100000212066_100000059175 [0,1,0,0,0,1|1,0,0]=3 4100 B13R1.14 C[C@@H](CO)COc1ccc(cc1)N 34a_100000185829_100000059175 [0,1,0,0,0,1|1,0,0]=3 4101 B13R1.14 C[C@@H](CO)COc1ccc(cn1)Cl 34a_100011215309_100000059175 [0,1,0,0,0,1|2,0,0]=4 4102 B13R1.14 C[C@@H](CO)COc1ccc(cn1)F 34a_100000742473_100000059175 [0,1,0,0,0,1|2,0,0]=4 4103 B13R1.14 C[C@@H](CO)COc1ccc(cn1)N 34a_100000729260_100000059175 [0,1,0,0,0,1|2,0,0]=4 4104 B13R1.14 C[C@@H](CO)COc1ccc(nc1)Br 34a_100000685995_100000059175 [0,1,0,0,0,1|2,0,0]=4 4105 B13R1.14 C[C@@H](CO)COc1ccc(nc1)Br 7a_100000685995_100000059175 [0,1,0,0,0,1|2,0,0]=4 4106 B13R1.14 C[C@@H](CO)COc1ccc(nc1)Cl 34a_100000744096_100000059175 [0,1,0,0,0,1|2,0,0]=4 4107 B13R1.14 C[C@@H](CO)COc1ccc(nc1)Cl 7a_100000744096_100000059175 [0,1,0,0,0,1|2,0,0]=4 4108 B13R1.14 C[C@@H](CO)COc1ccc(nc1)F 34a_100000688820_100000059175 [0,1,0,0,0,1|2,0,0]=4 4109 B13R1.14 C[C@@H](CO)COc1ccc(nc1)F 7a_100000688820_100000059175 [0,1,0,0,0,1|2,0,0]=4 4110 B13R1.14 C[C@@H](CO)COc1ccc(nc1)I 34a_100000687607_100000059175 [0,1,0,0,0,1|2,0,0]=4 4111 B13R1.14 C[C@@H](CO)COc1ccc(nc1)I 7a_100000687607_100000059175 [0,1,0,0,0,1|2,0,0]=4 4112 B13R1.14 C[C@@H](CO)COc1ccc(nc1)N 34a_100015188713_100000059175 [0,1,0,0,0,1|2,0,0]=4 4113 B13R1.14 C[C@@H](CO)COc1ccc(nc1)N 7a_100015188713_100000059175 [0,1,0,0,0,1|2,0,0]=4 4114 B13R1.14 C[C@@H](CO)CSc1cc[n+](cc1)[O-] 62a_100000059175_100000039755 [0,1,0,0,0,1|2,0,0]=4 4115 B13R1.14 C[C@@H](CO)CSc1ccc(=O)[nH]c1 62a_100000059175_100000212171 [0,1,0,0,0,1|2,0,0]=4 4116 B13R1.14 C[C@@H](CO)CSc1ccc(=O)[nH]c1 62a_100000212171_100000059175 [0,1,0,0,0,1|2,0,0]=4 4117 B13R1.14 C[C@@H](CO)CSc1ccc(cc1)Br 62a_100000059175_100000752885 [0,1,0,0,0,1|1,0,0]=3 4118 B13R1.14 C[C@@H](CO)CSc1ccc(cc1)Br 62a_100000752885_100000059175 [0,1,0,0,0,1|1,0,0]=3 4119 B13R1.14 C[C@@H](CO)CSc1ccc(cc1)Cl 62a_100000059175_100000755918 [0,1,0,0,0,1|1,0,0]=3 4120 B13R1.14 C[C@@H](CO)CSc1ccc(cc1)Cl 62a_100000755918_100000059175 [0,1,0,0,0,1|1,0,0]=3 4121 B13R1.14 C[C@@H](CO)CSc1ccc(cc1)F 62a_100000059175_100000211213 [0,1,0,0,0,1|1,0,0]=3 4122 B13R1.14 C[C@@H](CO)CSc1ccc(cc1)F 62a_100000211213_100000059175 [0,1,0,0,0,1|1,0,0]=3 4123 B13R1.14 C[C@@H](CO)CSc1ccc(cc1)N 62a_100000059175_100000185761 [0,1,0,0,0,1|1,0,0]=3 4124 B13R1.14 C[C@@H](CO)CSc1ccc(cc1)N 62a_100000185761_100000059175 [0,1,0,0,0,1|1,0,0]=3 4125 B13R1.14 C[C@@H](CO)CSc1ccc(cc1)O 62a_100000059175_100000185759 [0,1,0,0,0,1|1,0,0]=3 4126 B13R1.14 C[C@@H](CO)CSc1ccc(cn1)Br 62a_100000059175_100000686858 [0,1,0,0,0,1|2,0,0]=4 4127 B13R1.14 C[C@@H](CO)CSc1ccc(cn1)Br 62a_100000686858_100000059175 [0,1,0,0,0,1|2,0,0]=4 4128 B13R1.14 C[C@@H](CO)CSc1ccc(cn1)Cl 62a_100000059175_100011356976 [0,1,0,0,0,1|2,0,0]=4 4129 B13R1.14 C[C@@H](CO)CSc1ccc(cn1)Cl 62a_100011356976_100000059175 [0,1,0,0,0,1|2,0,0]=4 4130 B13R1.14 C[C@@H](CO)CSc1ccc(cn1)F 62a_100000059175_100000744514 [0,1,0,0,0,1|2,0,0]=4 4131 B13R1.14 C[C@@H](CO)CSc1ccc(cn1)F 62a_100000744514_100000059175 [0,1,0,0,0,1|2,0,0]=4 4132 B13R1.14 C[C@@H](CO)CSc1ccc(cn1)N 62a_100000059175_100000737798 [0,1,0,0,0,1|2,0,0]=4 4133 B13R1.14 C[C@@H](CO)CSc1ccc(cn1)N 62a_100000737798_100000059175 [0,1,0,0,0,1|2,0,0]=4 4134 B13R1.14 C[C@@H](CO)CSc1ccc(cn1)O 62a_100000059175_100000744096 [0,1,0,0,0,1|2,0,0]=4 4135 B13R1.14 C[C@@H](CO)CSc1ccc(cn1)O 62a_100000685995_100000059175 [0,1,0,0,0,1|2,0,0]=4 4136 B13R1.14 C[C@@H](CO)CSc1ccc(nc1)Br 62a_100000059175_100009814638 [0,1,0,0,0,1|2,0,0]=4 4137 B13R1.14 C[C@@H](CO)CSc1ccc(nc1)Br 62a_100009814638_100000059175 [0,1,0,0,0,1|2,0,0]=4 4138 B13R1.14 C[C@@H](CO)CSc1ccc(nc1)Cl 62a_100000034144_100000059175 [0,1,0,0,0,1|2,0,0]=4 4139 B13R1.14 C[C@@H](CO)CSc1ccc(nc1)Cl 62a_100000059175_100000034144 [0,1,0,0,0,1|2,0,0]=4 4140 B13R1.14 C[C@@H](CO)CSc1ccc(nc1)F 62a_100000042367_100000059175 [0,1,0,0,0,1|2,0,0]=4 4141 B13R1.14 C[C@@H](CO)CSc1ccc(nc1)F 62a_100000059175_100000042367 [0,1,0,0,0,1|2,0,0]=4 4142 B13R1.14 C[C@@H](CO)CSc1ccc(nc1)N 62a_100000059175_100000187370 [0,1,0,0,0,1|2,0,0]=4 4143 B13R1.14 C[C@@H](CO)CSc1ccc(nc1)N 62a_100000187370_100000059175 [0,1,0,0,0,1|2,0,0]=4 4144 B13R1.14 C[C@H](CF)NCc1ccc(cc1)Br 207a_100102880703_100000186029 [0,1,0,0,0,1|2,0,0]=4 4145 B13R1.14 C[C@H](CF)NCc1ccc(cc1)Br 270004a_100102880703_100000186029 [0,1,0,0,0,1|2,0,0]=4 4146 B13R1.14 C[C@H](CF)NCc1ccc(cc1)Cl 207a_100102880703_100000189385 [0,1,0,0,0,1|2,0,0]=4 4147 B13R1.14 C[C@H](CF)NCc1ccc(cc1)Cl 270004a_100102880703_100000189385 [0,1,0,0,0,1|2,0,0]=4 4148 B13R1.14 C[C@H](CF)NCc1ccc(cc1)F 207a_100102880703_100000210084 [0,1,0,0,0,1|2,0,0]=4 4149 B13R1.14 C[C@H](CF)NCc1ccc(cc1)F 270004a_100102880703_100000210084 [0,1,0,0,0,1|2,0,0]=4 4150 B13R1.14 C[C@H](CF)NCc1ccc(cc1)I 207a_100102880703_100000188517 [0,1,0,0,0,1|2,0,0]=4 4151 B13R1.14 C[C@H](CO)NCc1ccc(cc1)Br 207a_100000737577_100000186029 [0,1,0,0,0,1|1,0,0]=3 4152 B13R1.14 C[C@H](CO)NCc1ccc(cc1)Br 2230a_100000737577_100011217064 [0,1,0,0,0,1|1,0,0]=3 4153 B13R1.14 C[C@H](CO)NCc1ccc(cc1)Br 270004a_100000737577_100000186029 [0,1,0,0,0,1|1,0,0]=3 4154 B13R1.14 C[C@H](CO)NCc1ccc(cc1)Cl 207a_100000737577_100000189385 [0,1,0,0,0,1|1,0,0]=3 4155 B13R1.14 C[C@H](CO)NCc1ccc(cc1)Cl 2230a_100000737577_100000694040 [0,1,0,0,0,1|1,0,0]=3 4156 B13R1.14 C[C@H](CO)NCc1ccc(cc1)Cl 270004a_100000737577_100000189385 [0,1,0,0,0,1|1,0,0]=3 4157 B13R1.14 C[C@H](CO)NCc1ccc(cc1)F 207a_100000737577_100000210084 [0,1,0,0,0,1|1,0,0]=3 4158 B13R1.14 C[C@H](CO)NCc1ccc(cc1)F 2230a_100000737577_100000198546 [0,1,0,0,0,1|1,0,0]=3 4159 B13R1.14 C[C@H](CO)NCc1ccc(cc1)F 270004a_100000737577_100000210084 [0,1,0,0,0,1|1,0,0]=3 4160 B13R1.14 C[C@H](CO)NCc1ccc(cc1)I 207a_100000737577_100000188517 [0,1,0,0,0,1|1,0,0]=3 4161 B13R1.14 C[C@H](CO)NCc1ccc(cc1)I 2230a_100000737577_100000189116 [0,1,0,0,0,1|1,0,0]=3 4162 B13R1.14 C[C@H](CO)NCc1ccc(cn1)Br 207a_100000737577_100000754260 [0,1,0,0,0,1|2,0,0]=4 4163 B13R1.14 C[C@H](CO)NCc1ccc(cn1)Br 2230a_100000737577_100000702658 [0,1,0,0,0,1|2,0,0]=4 4164 B13R1.14 C[C@H](CO)NCc1ccc(cn1)Br 270004a_100000737577_100000754260 [0,1,0,0,0,1|2,0,0]=4 4165 B13R1.14 C[C@H](CO)NCc1ccc(cn1)Cl 207a_100000737577_100011361569 [0,1,0,0,0,1|2,0,0]=4 4166 B13R1.14 C[C@H](CO)NCc1ccc(cn1)Cl 2230a_100000737577_100012066911 [0,1,0,0,0,1|2,0,0]=4 4167 B13R1.14 C[C@H](CO)NCc1ccc(cn1)Cl 270004a_100000737577_100011361569 [0,1,0,0,0,1|2,0,0]=4 4168 B13R1.14 C[C@H](CO)NCc1ccc(cn1)F 207a_100000737577_100011934744 [0,1,0,0,0,1|2,0,0]=4 4169 B13R1.14 C[C@H](CO)NCc1ccc(cn1)F 2230a_100000737577_100000703193 [0,1,0,0,0,1|2,0,0]=4 4170 B13R1.14 C[C@H](CO)NCc1ccc(cn1)F 270004a_100000737577_100011934744 [0,1,0,0,0,1|2,0,0]=4 4171 B13R1.14 C[C@H](CO)NCc1ccc(nc1)Br 2230a_100000737577_100009831999 [0,1,0,0,0,1|2,0,0]=4 4172 B13R1.14 C[C@H](CO)NCc1ccc(nc1)Cl 2230a_100000737577_100000735431 [0,1,0,0,0,1|2,0,0]=4 4173 B13R1.14 C[C@H](CO)NCc1ccc(nc1)F 2230a_100000737577_100009820150 [0,1,0,0,0,1|2,0,0]=4 4174 B13R1.14 C[C@H](CO)NCc1ccc(nc1)O 207a_100000737577_100011361521 [0,1,0,0,0,1|2,0,0]=4 4175 B13R1.14 C[C@H](CO)SCc1ccc(cc1)Br 62a_100000189115_100016084084 [0,1,0,0,0,1|1,0,0]=3 4176 B13R1.14 C[C@H](CO)SCc1ccc(cc1)Br 62a_100016084084_100000189115 [0,1,0,0,0,1|1,0,0]=3 4177 B13R1.14 C[C@H](CO)SCc1ccc(cc1)Cl 62a_100000187161_100016084084 [0,1,0,0,0,1|1,0,0]=3 4178 B13R1.14 C[C@H](CO)SCc1ccc(cc1)Cl 62a_100016084084_100000187161 [0,1,0,0,0,1|1,0,0]=3 4179 B13R1.14 C[C@H](CO)SCc1ccc(cc1)F 62a_100000198546_100016084084 [0,1,0,0,0,1|1,0,0]=3 4180 B13R1.14 C[C@H](CO)SCc1ccc(cc1)F 62a_100016084084_100000187164 [0,1,0,0,0,1|1,0,0]=3 4181 B13R1.14 C[C@H](CO)SCc1ccc(cc1)I 62a_100000189116_100016084084 [0,1,0,0,0,1|1,0,0]=3 4182 B13R1.14 C[C@H](CO)SCc1ccc(cc1)I 62a_100016084084_100000189116 [0,1,0,0,0,1|1,0,0]=3 4183 B13R1.14 C[C@H](CO)SCc1ccc(cn1)Br 62a_100000702658_100016084084 [0,1,0,0,0,1|2,0,0]=4 4184 B13R1.14 C[C@H](CO)SCc1ccc(cn1)Br 62a_100016084084_100000702658 [0,1,0,0,0,1|2,0,0]=4 4185 B13R1.14 C[C@H](CO)SCc1ccc(cn1)Cl 62a_100012066911_100016084084 [0,1,0,0,0,1|2,0,0]=4 4186 B13R1.14 C[C@H](CO)SCc1ccc(cn1)Cl 62a_100016084084_100000697101 [0,1,0,0,0,1|2,0,0]=4 4187 B13R1.14 C[C@H](CO)SCc1ccc(cn1)F 62a_100000703193_100016084084 [0,1,0,0,0,1|2,0,0]=4 4188 B13R1.14 C[C@H](CO)SCc1ccc(cn1)F 62a_100016084084_100000703193 [0,1,0,0,0,1|2,0,0]=4 4189 B13R1.14 C[C@H](CO)SCc1ccc(nc1)Br 62a_100009831999_100016084084 [0,1,0,0,0,1|2,0,0]=4 4190 B13R1.14 C[C@H](CO)SCc1ccc(nc1)Br 62a_100016084084_100009831999 [0,1,0,0,0,1|2,0,0]=4 4191 B13R1.14 C[C@H](CO)SCc1ccc(nc1)Cl 62a_100000735431_100016084084 [0,1,0,0,0,1|2,0,0]=4 4192 B13R1.14 C[C@H](CO)SCc1ccc(nc1)Cl 62a_100016084084_100000735431 [0,1,0,0,0,1|2,0,0]=4 4193 B13R1.14 C[C@H](CO)SCc1ccc(nc1)F 62a_100009820150_100016084084 [0,1,0,0,0,1|2,0,0]=4 4194 B13R1.14 C[C@H](CO)SCc1ccc(nc1)F 62a_100016084084_100000099788 [0,1,0,0,0,1|2,0,0]=4 4195 B13R1.14 Cc1ccc(cc1)CCC(=O)CO 1458a_100000210174_100011713686 [0,1,0,0,0,1|1,0,1]=4 4196 B13R1.14 Cc1ccc(cc1)CNC(=O)CO 240690a_100000174908_100000210174 [0,1,0,0,0,1|1,0,1]=4 4197 B13R1.14 Cc1ccc(cc1)CNC(=O)CO 527a_100000174908_100000210174 [0,1,0,0,0,1|1,0,1]=4 4198 B13R1.14 Cc1ccc(cc1)CNC(C)CO 2230a_100000174908_100012180447 [0,1,0,0,0,1|1,0,0]=3 4199 B13R1.14 Cc1ccc(cc1)CNC(C)CO 34a_100000174908_100012180447 [0,1,0,0,0,1|1,0,0]=3 4200 B13R1.14 Cc1ccc(cc1)CN[C@H](C)CF 207a_100102880703_100000211033 [0,1,0,0,0,1|2,0,0]=4 4201 B13R1.14 Cc1ccc(cc1)CN[C@H](C)CF 270004a_100102880703_100000211033 [0,1,0,0,0,1|2,0,0]=4 4202 B13R1.14 Cc1ccc(cc1)CN[C@H](C)CO 207a_100000737577_100000211033 [0,1,0,0,0,1|1,0,0]=3 4203 B13R1.14 Cc1ccc(cc1)CN[C@H](C)CO 2230a_100000737577_100000210814 [0,1,0,0,0,1|1,0,0]=3 4204 B13R1.14 Cc1ccc(cc1)CN[C@H](C)CO 270004a_100000737577_100000211033 [0,1,0,0,0,1|1,0,0]=3 4205 B13R1.14 Cc1ccc(cc1)COC(C)CF 34a_100016041109_100000210814 [0,1,0,0,0,1|2,0,0]=4 4206 B13R1.14 Cc1ccc(cc1)COC(C)CF 7a_100016041109_100000210814 [0,1,0,0,0,1|2,0,0]=4 4207 B13R1.14 Cc1ccc(cc1)COC(C)CN 34a_100000210904_100000210814 [0,1,0,0,0,1|2,0,0]=4 4208 B13R1.14 Cc1ccc(cc1)COC(C)CO 34a_100011215236_100012180447 [0,1,0,0,0,1|1,0,0]=3 4209 B13R1.14 Cc1ccc(cc1)COC(C)CO 7a_100011215236_100012180447 [0,1,0,0,0,1|1,0,0]=3 4210 B13R1.14 Cc1ccc(cc1)CSC(C)CO 62a_100012180447_100000210814 [0,1,0,0,0,1|1,0,0]=3 4211 B13R1.14 Cc1ccc(cc1)CS[C@H](C)CO 62a_100000210814_100016084084 [0,1,0,0,0,1|1,0,0]=3 4212 B13R1.14 Cc1ccc(cc1)CS[C@H](C)CO 62a_100016084084_100000210814 [0,1,0,0,0,1|1,0,0]=3 4213 B13R1.14 Cc1ccc(cc1)NCC(O)CO 34a_100000124888_100011219619 [0,1,0,0,0,1|1,0,0]=3 4214 B13R1.14 Cc1ccc(cc1)NC[C@@H](C)CO 34a_100000124888_100000059175 [0,1,0,0,0,1|1,0,0]=3 4215 B13R1.14 Cc1ccc(cc1)NC[C@@H](O)CF 34a_100000124888_100015614560 [0,1,0,0,0,1|2,0,0]=4 4216 B13R1.14 Cc1ccc(cc1)NC[C@@H](O)CO 34a_100000124888_100009815848 [0,1,0,0,0,1|1,0,0]=3 4217 B13R1.14 Cc1ccc(cc1)OCC(O)CO 34a_100000210336_100011219619 [0,1,0,0,0,1|1,0,0]=3 4218 B13R1.14 Cc1ccc(cc1)OCC(O)CO 7a_100000210336_100011219619 [0,1,0,0,0,1|1,0,0]=3 4219 B13R1.14 Cc1ccc(cc1)OC[C@@H](C)CO 34a_100000210336_100000059175 [0,1,0,0,0,1|1,0,0]=3 4220 B13R1.14 Cc1ccc(cc1)OC[C@@H](C)CO 7a_100000210336_100000059175 [0,1,0,0,0,1|1,0,0]=3 4221 B13R1.14 Cc1ccc(cc1)OC[C@@H](O)CF 34a_100000210336_100015614560 [0,1,0,0,0,1|2,0,0]=4 4222 B13R1.14 Cc1ccc(cc1)OC[C@@H](O)CF 7a_100000210336_100015614560 [0,1,0,0,0,1|2,0,0]=4 4223 B13R1.14 Cc1ccc(cc1)OC[C@@H](O)CO 34a_100000210336_100009815848 [0,1,0,0,0,1|1,0,0]=3 4224 B13R1.14 Cc1ccc(cc1)OC[C@@H](O)CO 7a_100000210336_100009815848 [0,1,0,0,0,1|1,0,0]=3 4225 B13R1.14 Cc1ccc(cc1)SCC(O)CO 62a_100000186775_100011219619 [0,1,0,0,0,1|1,0,0]=3 4226 B13R1.14 Cc1ccc(cc1)SCC(O)CO 62a_100011219619_100000186775 [0,1,0,0,0,1|1,0,0]=3 4227 B13R1.14 Cc1ccc(cc1)SC[C@@H](C)CO 62a_100000059175_100000186775 [0,1,0,0,0,1|1,0,0]=3 4228 B13R1.14 Cc1ccc(cc1)SC[C@@H](C)CO 62a_100000186775_100000059175 [0,1,0,0,0,1|1,0,0]=3 4229 B13R1.14 Cc1ccc(cc1)SC[C@@H](O)CF 62a_100000186775_100015614560 [0,1,0,0,0,1|2,0,0]=4 4230 B13R1.14 Cc1ccc(cc1)SC[C@@H](O)CF 62a_100015614560_100000186775 [0,1,0,0,0,1|2,0,0]=4 4231 B13R1.14 Cc1ccc(cc1)SC[C@@H](O)CO 62a_100000186775_100009815848 [0,1,0,0,0,1|1,0,0]=3 4232 B13R1.14 Cc1ccc(cc1)SC[C@@H](O)CO 62a_100009815848_100000186775 [0,1,0,0,0,1|1,0,0]=3 4233 B13R1.14 Cc1ccc(cn1)CNC(C)CO 34a_100000740942_100012180447 [0,1,0,0,0,1|2,0,0]=4 4234 B13R1.14 Cc1ccc(cn1)CN[C@H](C)CO 2230a_100000737577_100016987292 [0,1,0,0,0,1|2,0,0]=4 4235 B13R1.14 Cc1ccc(cn1)CN[C@H](C)CO 270004a_100000737577_100000743784 [0,1,0,0,0,1|2,0,0]=4 4236 B13R1.14 Cc1ccc(cn1)COC(C)CO 34a_100011248133_100012180447 [0,1,0,0,0,1|2,0,0]=4 4237 B13R1.14 Cc1ccc(cn1)CSC(C)CO 62a_100012180447_100016987292 [0,1,0,0,0,1|2,0,0]=4 4238 B13R1.14 Cc1ccc(cn1)CS[C@H](C)CO 62a_100016084084_100016987292 [0,1,0,0,0,1|2,0,0]=4 4239 B13R1.14 Cc1ccc(cn1)CS[C@H](C)CO 62a_100016987292_100016084084 [0,1,0,0,0,1|2,0,0]=4 4240 B13R1.14 Cc1ccc(cn1)OCC(O)CO 34a_100000745506_100011219619 [0,1,0,0,0,1|2,0,0]=4 4241 B13R1.14 Cc1ccc(cn1)OCC(O)CO 7a_100000745506_100011219619 [0,1,0,0,0,1|2,0,0]=4 4242 B13R1.14 Cc1ccc(cn1)OC[C@@H](C)CO 34a_100000745506_100000059175 [0,1,0,0,0,1|2,0,0]=4 4243 B13R1.14 Cc1ccc(cn1)OC[C@@H](C)CO 7a_100000745506_100000059175 [0,1,0,0,0,1|2,0,0]=4 4244 B13R1.14 Cc1ccc(cn1)OC[C@@H](O)CO 34a_100000745506_100009815848 [0,1,0,0,0,1|2,0,0]=4 4245 B13R1.14 Cc1ccc(cn1)OC[C@@H](O)CO 7a_100000745506_100009815848 [0,1,0,0,0,1|2,0,0]=4 4246 B13R1.14 Cc1ccc(cn1)SCC(O)CO 62a_100000751577_100011219619 [0,1,0,0,0,1|2,0,0]=4 4247 B13R1.14 Cc1ccc(cn1)SCC(O)CO 62a_100011219619_100000751577 [0,1,0,0,0,1|2,0,0]=4 4248 B13R1.14 Cc1ccc(cn1)SC[C@@H](C)CO 62a_100000059175_100000751577 [0,1,0,0,0,1|2,0,0]=4 4249 B13R1.14 Cc1ccc(cn1)SC[C@@H](C)CO 62a_100000751577_100000059175 [0,1,0,0,0,1|2,0,0]=4 4250 B13R1.14 Cc1ccc(cn1)SC[C@@H](O)CO 62a_100000751577_100009815848 [0,1,0,0,0,1|2,0,0]=4 4251 B13R1.14 Cc1ccc(cn1)SC[C@@H](O)CO 62a_100009815848_100000751577 [0,1,0,0,0,1|2,0,0]=4 4252 B13R1.14 Cc1ccc(nc1)CNC(C)CO 34a_100015187455_100012180447 [0,1,0,0,0,1|2,0,0]=4 4253 B13R1.14 Cc1ccc(nc1)CN[C@H](C)CO 207a_100000737577_100000050478 [0,1,0,0,0,1|2,0,0]=4 4254 B13R1.14 Cc1ccc(nc1)CN[C@H](C)CO 2230a_100000737577_100000691093 [0,1,0,0,0,1|2,0,0]=4 4255 B13R1.14 Cc1ccc(nc1)CN[C@H](C)CO 270004a_100000737577_100000050478 [0,1,0,0,0,1|2,0,0]=4 4256 B13R1.14 Cc1ccc(nc1)COC(C)CO 34a_100012001401_100012180447 [0,1,0,0,0,1|2,0,0]=4 4257 B13R1.14 Cc1ccc(nc1)CSC(C)CO 62a_100012180447_100000691093 [0,1,0,0,0,1|2,0,0]=4 4258 B13R1.14 Cc1ccc(nc1)CS[C@H](C)CO 62a_100000691093_100016084084 [0,1,0,0,0,1|2,0,0]=4 4259 B13R1.14 Cc1ccc(nc1)CS[C@H](C)CO 62a_100016084084_100000691093 [0,1,0,0,0,1|2,0,0]=4 4260 B13R1.14 Cc1ccc(nc1)OCC(O)CO 34a_100000759353_100011219619 [0,1,0,0,0,1|2,0,0]=4 4261 B13R1.14 Cc1ccc(nc1)OC[C@@H](C)CO 34a_100000759353_100000059175 [0,1,0,0,0,1|2,0,0]=4 4262 B13R1.14 Cc1ccc(nc1)OC[C@@H](O)CO 34a_100000759353_100009815848 [0,1,0,0,0,1|2,0,0]=4 4263 B13R1.14 Cc1ccc(nc1)SCC(O)CO 62a_100011192072_100011219619 [0,1,0,0,0,1|2,0,0]=4 4264 B13R1.14 Cc1ccc(nc1)SCC(O)CO 62a_100011219619_100000754016 [0,1,0,0,0,1|2,0,0]=4 4265 B13R1.14 Cc1ccc(nc1)SC[C@@H](C)CO 62a_100000059175_100000754016 [0,1,0,0,0,1|2,0,0]=4 4266 B13R1.14 Cc1ccc(nc1)SC[C@@H](C)CO 62a_100011192072_100000059175 [0,1,0,0,0,1|2,0,0]=4 4267 B13R1.14 Cc1ccc(nc1)SC[C@@H](O)CO 62a_100009815848_100000754016 [0,1,0,0,0,1|2,0,0]=4 4268 B13R1.14 Cc1ccc(nc1)SC[C@@H](O)CO 62a_100011192072_100009815848 [0,1,0,0,0,1|2,0,0]=4 4269 B13R1.14 Nc1ccc(cc1)OCC(O)CO 34a_100000185829_100011219619 [0,1,0,0,0,1|1,0,0]=3 4270 B13R1.14 Nc1ccc(cc1)OC[C@@H](O)CF 34a_100000185829_100015614560 [0,1,0,0,0,1|2,0,0]=4 4271 B13R1.14 Nc1ccc(cc1)OC[C@@H](O)CO 34a_100000185829_100009815848 [0,1,0,0,0,1|1,0,0]=3 4272 B13R1.14 Nc1ccc(cc1)SCC(O)CO 62a_100000185761_100011219619 [0,1,0,0,0,1|1,0,0]=3 4273 B13R1.14 Nc1ccc(cc1)SCC(O)CO 62a_100011219619_100000185761 [0,1,0,0,0,1|1,0,0]=3 4274 B13R1.14 Nc1ccc(cc1)SC[C@@H](O)CF 62a_100000185761_100015614560 [0,1,0,0,0,1|2,0,0]=4 4275 B13R1.14 Nc1ccc(cc1)SC[C@@H](O)CF 62a_100015614560_100000185761 [0,1,0,0,0,1|2,0,0]=4 4276 B13R1.14 Nc1ccc(cc1)SC[C@@H](O)CO 62a_100000185761_100009815848 [0,1,0,0,0,1|1,0,0]=3 4277 B13R1.14 Nc1ccc(cc1)SC[C@@H](O)CO 62a_100009815848_100000185761 [0,1,0,0,0,1|1,0,0]=3 4278 B13R1.14 Nc1ccc(cn1)OCC(O)CO 34a_100015188713_100011219619 [0,1,0,0,0,1|2,0,0]=4 4279 B13R1.14 Nc1ccc(cn1)OCC(O)CO 7a_100015188713_100011219619 [0,1,0,0,0,1|2,0,0]=4 4280 B13R1.14 Nc1ccc(cn1)OC[C@@H](O)CO 34a_100015188713_100009815848 [0,1,0,0,0,1|2,0,0]=4 4281 B13R1.14 Nc1ccc(cn1)OC[C@@H](O)CO 7a_100015188713_100009815848 [0,1,0,0,0,1|2,0,0]=4 4282 B13R1.14 Nc1ccc(cn1)SCC(O)CO 62a_100000187370_100011219619 [0,1,0,0,0,1|2,0,0]=4 4283 B13R1.14 Nc1ccc(cn1)SCC(O)CO 62a_100011219619_100000187370 [0,1,0,0,0,1|2,0,0]=4 4284 B13R1.14 Nc1ccc(cn1)SC[C@@H](O)CO 62a_100000187370_100009815848 [0,1,0,0,0,1|2,0,0]=4 4285 B13R1.14 Nc1ccc(cn1)SC[C@@H](O)CO 62a_100009815848_100000187370 [0,1,0,0,0,1|2,0,0]=4 4286 B13R1.14 Nc1ccc(nc1)OCC(O)CO 34a_100000729260_100011219619 [0,1,0,0,0,1|2,0,0]=4 4287 B13R1.14 Nc1ccc(nc1)OC[C@@H](O)CO 34a_100000729260_100009815848 [0,1,0,0,0,1|2,0,0]=4 4288 B13R1.14 Nc1ccc(nc1)SCC(O)CO 62a_100000737798_100011219619 [0,1,0,0,0,1|2,0,0]=4 4289 B13R1.14 Nc1ccc(nc1)SCC(O)CO 62a_100011219619_100000737798 [0,1,0,0,0,1|2,0,0]=4 4290 B13R1.14 Nc1ccc(nc1)SC[C@@H](O)CO 62a_100000737798_100009815848 [0,1,0,0,0,1|2,0,0]=4 4291 B13R1.14 Nc1ccc(nc1)SC[C@@H](O)CO 62a_100009815848_100000737798 [0,1,0,0,0,1|2,0,0]=4 4292 B13R1.14 O=C(CO)CCc1ccc(cc1)Br 1458a_100000210174_100011740612 [0,1,0,0,0,1|1,0,1]=4 4293 B13R1.14 O=C(CO)CCc1ccc(cc1)Cl 1458a_100000210174_100011713675 [0,1,0,0,0,1|1,0,1]=4 4294 B13R1.14 O=C(CO)CCc1ccc(cc1)F 1458a_100000210174_100011217392 [0,1,0,0,0,1|1,0,1]=4 4295 B13R1.14 O=C(CO)CCc1ccc(cc1)O 1458a_100000210174_100009816426 [0,1,0,0,0,1|1,0,1]=4 4296 B13R1.14 O=C(CO)NCc1ccc(cc1)Br 240690a_100000174875_100000210174 [0,1,0,0,0,1|1,0,1]=4 4297 B13R1.14 O=C(CO)NCc1ccc(cc1)Br 527a_100000174875_100000210174 [0,1,0,0,0,1|1,0,1]=4 4298 B13R1.14 O=C(CO)NCc1ccc(cc1)Cl 240690a_100000174871_100000210174 [0,1,0,0,0,1|1,0,1]=4 4299 B13R1.14 O=C(CO)NCc1ccc(cc1)Cl 527a_100000174871_100000210174 [0,1,0,0,0,1|1,0,1]=4 4300 B13R1.14 O=C(CO)NCc1ccc(cc1)F 240690a_100000174882_100000210174 [0,1,0,0,0,1|1,0,1]=4 4301 B13R1.14 O=C(CO)NCc1ccc(cc1)F 527a_100000174882_100000210174 [0,1,0,0,0,1|1,0,1]=4 4302 B13R1.14 O=C(CO)NCc1ccc(cc1)I 240690a_100016989417_100000210174 [0,1,0,0,0,1|1,0,1]=4 4303 B13R1.14 O=C(CO)NCc1ccc(cc1)I 527a_100016989417_100000210174 [0,1,0,0,0,1|1,0,1]=4 4304 B13R1.14 O=C(CO)NCc1ccc(cc1)O 240690a_100000185549_100000210174 [0,1,0,0,0,1|1,0,1]=4 4305 B13R1.14 O=C(CO)NCc1ccc(cc1)O 527a_100000185549_100000210174 [0,1,0,0,0,1|1,0,1]=4 4306 B13R1.14 O=c1ccc(c[nH]1)OCC(O)CO 34a_100000075641_100011219619 [0,1,0,0,0,1|2,0,0]=4 4307 B13R1.14 O=c1ccc(c[nH]1)OC[C@@H](O)CO 34a_100000075641_100009815848 [0,1,0,0,0,1|2,0,0]=4 4308 B13R1.14 O=c1ccc(c[nH]1)SCC(O)CO 62a_100000212171_100011219619 [0,1,0,0,0,1|2,0,0]=4 4309 B13R1.14 O=c1ccc(c[nH]1)SCC(O)CO 62a_100011219619_100000212171 [0,1,0,0,0,1|2,0,0]=4 4310 B13R1.14 O=c1ccc(c[nH]1)SC[C@@H](O)CO 62a_100000212171_100009815848 [0,1,0,0,0,1|2,0,0]=4 4311 B13R1.14 O=c1ccc(c[nH]1)SC[C@@H](O)CO 62a_100009815848_100000212171 [0,1,0,0,0,1|2,0,0]=4 4312 B13R1.14 OCC(O)CNc1ccc(cc1)Br 2230a_100000210018_100011219619 [0,1,0,0,0,1|1,0,0]=3 4313 B13R1.14 OCC(O)CNc1ccc(cc1)Br 34a_100000210018_100011219619 [0,1,0,0,0,1|1,0,0]=3 4314 B13R1.14 OCC(O)CNc1ccc(cc1)Cl 2230a_100000210052_100011219619 [0,1,0,0,0,1|1,0,0]=3 4315 B13R1.14 OCC(O)CNc1ccc(cc1)Cl 34a_100000210052_100011219619 [0,1,0,0,0,1|1,0,0]=3 4316 B13R1.14 OCC(O)CNc1ccc(cc1)F 34a_100000185862_100011219619 [0,1,0,0,0,1|1,0,0]=3 4317 B13R1.14 OCC(O)CNc1ccc(cc1)I 34a_100000185761_100011219619 [0,1,0,0,0,1|1,0,0]=3 4318 B13R1.14 OCC(O)CNc1ccc(cc1)O 34a_100000185829_100011219619 [0,1,0,0,0,1|1,0,0]=3 4319 B13R1.14 OCC(O)COc1ccc(cc1)Br 34a_100000185759_100011219619 [0,1,0,0,0,1|1,0,0]=3 4320 B13R1.14 OCC(O)COc1ccc(cc1)Br 7a_100000185759_100011219619 [0,1,0,0,0,1|1,0,0]=3 4321 B13R1.14 OCC(O)COc1ccc(cc1)Cl 34a_100000210216_100011219619 [0,1,0,0,0,1|1,0,0]=3 4322 B13R1.14 OCC(O)COc1ccc(cc1)Cl 7a_100000210216_100011219619 [0,1,0,0,0,1|1,0,0]=3 4323 B13R1.14 OCC(O)COc1ccc(cc1)F 34a_100000210339_100011219619 [0,1,0,0,0,1|1,0,0]=3 4324 B13R1.14 OCC(O)COc1ccc(cc1)I 34a_100000212066_100011219619 [0,1,0,0,0,1|1,0,0]=3 4325 B13R1.14 OCC(O)COc1ccc(cc1)I 7a_100000212066_100011219619 [0,1,0,0,0,1|1,0,0]=3 4326 B13R1.14 OCC(O)COc1ccc(cn1)Cl 34a_100011215309_100011219619 [0,1,0,0,0,1|2,0,0]=4 4327 B13R1.14 OCC(O)COc1ccc(cn1)F 34a_100000742473_100011219619 [0,1,0,0,0,1|2,0,0]=4 4328 B13R1.14 OCC(O)COc1ccc(nc1)Br 34a_100000685995_100011219619 [0,1,0,0,0,1|2,0,0]=4 4329 B13R1.14 OCC(O)COc1ccc(nc1)Br 7a_100000685995_100011219619 [0,1,0,0,0,1|2,0,0]=4 4330 B13R1.14 OCC(O)COc1ccc(nc1)Cl 34a_100000744096_100011219619 [0,1,0,0,0,1|2,0,0]=4 4331 B13R1.14 OCC(O)COc1ccc(nc1)Cl 7a_100000744096_100011219619 [0,1,0,0,0,1|2,0,0]=4 4332 B13R1.14 OCC(O)COc1ccc(nc1)F 34a_100000688820_100011219619 [0,1,0,0,0,1|2,0,0]=4 4333 B13R1.14 OCC(O)COc1ccc(nc1)F 7a_100000688820_100011219619 [0,1,0,0,0,1|2,0,0]=4 4334 B13R1.14 OCC(O)COc1ccc(nc1)I 34a_100000687607_100011219619 [0,1,0,0,0,1|2,0,0]=4 4335 B13R1.14 OCC(O)COc1ccc(nc1)I 7a_100000687607_100011219619 [0,1,0,0,0,1|2,0,0]=4 4336 B13R1.14 OCC(O)CSc1ccc(cc1)Br 62a_100000752885_100011219619 [0,1,0,0,0,1|1,0,0]=3 4337 B13R1.14 OCC(O)CSc1ccc(cc1)Br 62a_100011219619_100000752885 [0,1,0,0,0,1|1,0,0]=3 4338 B13R1.14 OCC(O)CSc1ccc(cc1)Cl 62a_100000755918_100011219619 [0,1,0,0,0,1|1,0,0]=3 4339 B13R1.14 OCC(O)CSc1ccc(cc1)Cl 62a_100011219619_100000755918 [0,1,0,0,0,1|1,0,0]=3 4340 B13R1.14 OCC(O)CSc1ccc(cc1)F 62a_100000211213_100011219619 [0,1,0,0,0,1|1,0,0]=3 4341 B13R1.14 OCC(O)CSc1ccc(cc1)F 62a_100011219619_100000211213 [0,1,0,0,0,1|1,0,0]=3 4342 B13R1.14 OCC(O)CSc1ccc(cc1)O 62a_100011219619_100000185759 [0,1,0,0,0,1|1,0,0]=3 4343 B13R1.14 OCC(O)CSc1ccc(cn1)Br 62a_100000686858_100011219619 [0,1,0,0,0,1|2,0,0]=4 4344 B13R1.14 OCC(O)CSc1ccc(cn1)Br 62a_100011219619_100000686858 [0,1,0,0,0,1|2,0,0]=4 4345 B13R1.14 OCC(O)CSc1ccc(cn1)Cl 62a_100011219619_100011356976 [0,1,0,0,0,1|2,0,0]=4 4346 B13R1.14 OCC(O)CSc1ccc(cn1)Cl 62a_100011356976_100011219619 [0,1,0,0,0,1|2,0,0]=4 4347 B13R1.14 OCC(O)CSc1ccc(cn1)F 62a_100000744514_100011219619 [0,1,0,0,0,1|2,0,0]=4 4348 B13R1.14 OCC(O)CSc1ccc(cn1)F 62a_100011219619_100000744514 [0,1,0,0,0,1|2,0,0]=4 4349 B13R1.14 OCC(O)CSc1ccc(cn1)O 62a_100000685995_100011219619 [0,1,0,0,0,1|2,0,0]=4 4350 B13R1.14 OCC(O)CSc1ccc(cn1)O 62a_100011219619_100000744096 [0,1,0,0,0,1|2,0,0]=4 4351 B13R1.14 OCC(O)CSc1ccc(nc1)Br 62a_100009814638_100011219619 [0,1,0,0,0,1|2,0,0]=4 4352 B13R1.14 OCC(O)CSc1ccc(nc1)Br 62a_100011219619_100009814638 [0,1,0,0,0,1|2,0,0]=4 4353 B13R1.14 OCC(O)CSc1ccc(nc1)Cl 62a_100000034144_100011219619 [0,1,0,0,0,1|2,0,0]=4 4354 B13R1.14 OCC(O)CSc1ccc(nc1)Cl 62a_100011219619_100000034144 [0,1,0,0,0,1|2,0,0]=4 4355 B13R1.14 OCC(O)CSc1ccc(nc1)F 62a_100000042367_100011219619 [0,1,0,0,0,1|2,0,0]=4 4356 B13R1.14 OCC(O)CSc1ccc(nc1)F 62a_100011219619_100000042367 [0,1,0,0,0,1|2,0,0]=4 4357 B13R1.14 OC[C@@H](O)CNc1ccc(cn1)Br 27a_100020644852_100000686858 [0,1,0,0,0,1|2,0,0]=4 4358 B13R1.14 OC[C@H](F)CNc1ccc(cn1)Br 27a_100015665980_100000686858 [0,1,0,0,0,1|2,0,0]=4 4359 B13R1.14 OC[C@H](O)CNc1ccc(cc1)Br 2230a_100000210018_100009815848 [0,1,0,0,0,1|1,0,0]=3 4360 B13R1.14 OC[C@H](O)CNc1ccc(cc1)Br 34a_100000210018_100009815848 [0,1,0,0,0,1|1,0,0]=3 4361 B13R1.14 OC[C@H](O)CNc1ccc(cc1)Cl 2230a_100000210052_100009815848 [0,1,0,0,0,1|1,0,0]=3 4362 B13R1.14 OC[C@H](O)CNc1ccc(cc1)Cl 34a_100000210052_100009815848 [0,1,0,0,0,1|1,0,0]=3 4363 B13R1.14 OC[C@H](O)CNc1ccc(cc1)F 34a_100000185862_100009815848 [0,1,0,0,0,1|1,0,0]=3 4364 B13R1.14 OC[C@H](O)CNc1ccc(cc1)I 34a_100000185761_100009815848 [0,1,0,0,0,1|1,0,0]=3 4365 B13R1.14 OC[C@H](O)CNc1ccc(cc1)O 34a_100000185829_100009815848 [0,1,0,0,0,1|1,0,0]=3 4366 B13R1.14 OC[C@H](O)COc1ccc(cc1)Br 34a_100000185759_100009815848 [0,1,0,0,0,1|1,0,0]=3 4367 B13R1.14 OC[C@H](O)COc1ccc(cc1)Br 7a_100000185759_100009815848 [0,1,0,0,0,1|1,0,0]=3 4368 B13R1.14 OC[C@H](O)COc1ccc(cc1)Cl 34a_100000210216_100009815848 [0,1,0,0,0,1|1,0,0]=3 4369 B13R1.14 OC[C@H](O)COc1ccc(cc1)Cl 7a_100000210216_100009815848 [0,1,0,0,0,1|1,0,0]=3 4370 B13R1.14 OC[C@H](O)COc1ccc(cc1)F 34a_100000210339_100009815848 [0,1,0,0,0,1|1,0,0]=3 4371 B13R1.14 OC[C@H](O)COc1ccc(cc1)I 34a_100000212066_100009815848 [0,1,0,0,0,1|1,0,0]=3 4372 B13R1.14 OC[C@H](O)COc1ccc(cc1)I 7a_100000212066_100009815848 [0,1,0,0,0,1|1,0,0]=3 4373 B13R1.14 OC[C@H](O)COc1ccc(cn1)Cl 34a_100011215309_100009815848 [0,1,0,0,0,1|2,0,0]=4 4374 B13R1.14 OC[C@H](O)COc1ccc(cn1)F 34a_100000742473_100009815848 [0,1,0,0,0,1|2,0,0]=4 4375 B13R1.14 OC[C@H](O)COc1ccc(nc1)Br 34a_100000685995_100009815848 [0,1,0,0,0,1|2,0,0]=4 4376 B13R1.14 OC[C@H](O)COc1ccc(nc1)Br 7a_100000685995_100009815848 [0,1,0,0,0,1|2,0,0]=4 4377 B13R1.14 OC[C@H](O)COc1ccc(nc1)Cl 34a_100000744096_100009815848 [0,1,0,0,0,1|2,0,0]=4 4378 B13R1.14 OC[C@H](O)COc1ccc(nc1)Cl 7a_100000744096_100009815848 [0,1,0,0,0,1|2,0,0]=4 4379 B13R1.14 OC[C@H](O)COc1ccc(nc1)F 34a_100000688820_100009815848 [0,1,0,0,0,1|2,0,0]=4 4380 B13R1.14 OC[C@H](O)COc1ccc(nc1)F 7a_100000688820_100009815848 [0,1,0,0,0,1|2,0,0]=4 4381 B13R1.14 OC[C@H](O)COc1ccc(nc1)I 34a_100000687607_100009815848 [0,1,0,0,0,1|2,0,0]=4 4382 B13R1.14 OC[C@H](O)COc1ccc(nc1)I 7a_100000687607_100009815848 [0,1,0,0,0,1|2,0,0]=4 4383 B13R1.14 OC[C@H](O)CSc1ccc(cc1)Br 62a_100000752885_100009815848 [0,1,0,0,0,1|1,0,0]=3 4384 B13R1.14 OC[C@H](O)CSc1ccc(cc1)Br 62a_100009815848_100000752885 [0,1,0,0,0,1|1,0,0]=3 4385 B13R1.14 OC[C@H](O)CSc1ccc(cc1)Cl 62a_100000755918_100009815848 [0,1,0,0,0,1|1,0,0]=3 4386 B13R1.14 OC[C@H](O)CSc1ccc(cc1)Cl 62a_100009815848_100000755918 [0,1,0,0,0,1|1,0,0]=3 4387 B13R1.14 OC[C@H](O)CSc1ccc(cc1)F 62a_100000211213_100009815848 [0,1,0,0,0,1|1,0,0]=3 4388 B13R1.14 OC[C@H](O)CSc1ccc(cc1)F 62a_100009815848_100000211213 [0,1,0,0,0,1|1,0,0]=3 4389 B13R1.14 OC[C@H](O)CSc1ccc(cc1)O 62a_100009815848_100000185759 [0,1,0,0,0,1|1,0,0]=3 4390 B13R1.14 OC[C@H](O)CSc1ccc(cn1)Br 62a_100000686858_100009815848 [0,1,0,0,0,1|2,0,0]=4 4391 B13R1.14 OC[C@H](O)CSc1ccc(cn1)Br 62a_100009815848_100000686858 [0,1,0,0,0,1|2,0,0]=4 4392 B13R1.14 OC[C@H](O)CSc1ccc(cn1)Cl 62a_100009815848_100011356976 [0,1,0,0,0,1|2,0,0]=4 4393 B13R1.14 OC[C@H](O)CSc1ccc(cn1)Cl 62a_100011356976_100009815848 [0,1,0,0,0,1|2,0,0]=4 4394 B13R1.14 OC[C@H](O)CSc1ccc(cn1)F 62a_100000744514_100009815848 [0,1,0,0,0,1|2,0,0]=4 4395 B13R1.14 OC[C@H](O)CSc1ccc(cn1)F 62a_100009815848_100000744514 [0,1,0,0,0,1|2,0,0]=4 4396 B13R1.14 OC[C@H](O)CSc1ccc(cn1)O 62a_100000685995_100009815848 [0,1,0,0,0,1|2,0,0]=4 4397 B13R1.14 OC[C@H](O)CSc1ccc(cn1)O 62a_100009815848_100000744096 [0,1,0,0,0,1|2,0,0]=4 4398 B13R1.14 OC[C@H](O)CSc1ccc(nc1)Br 62a_100009814638_100009815848 [0,1,0,0,0,1|2,0,0]=4 4399 B13R1.14 OC[C@H](O)CSc1ccc(nc1)Br 62a_100009815848_100009814638 [0,1,0,0,0,1|2,0,0]=4 4400 B13R1.14 OC[C@H](O)CSc1ccc(nc1)Cl 62a_100000034144_100009815848 [0,1,0,0,0,1|2,0,0]=4 4401 B13R1.14 OC[C@H](O)CSc1ccc(nc1)Cl 62a_100009815848_100000034144 [0,1,0,0,0,1|2,0,0]=4 4402 B13R1.14 OC[C@H](O)CSc1ccc(nc1)F 62a_100000042367_100009815848 [0,1,0,0,0,1|2,0,0]=4 4403 B13R1.14 OC[C@H](O)CSc1ccc(nc1)F 62a_100009815848_100000042367 [0,1,0,0,0,1|2,0,0]=4 4404 B13R1.14 O[C@@H](CF)CNc1ccc(cc1)Br 2230a_100000210018_100015614560 [0,1,0,0,0,1|2,0,0]=4 4405 B13R1.14 O[C@@H](CF)CNc1ccc(cc1)Br 34a_100000210018_100015614560 [0,1,0,0,0,1|2,0,0]=4 4406 B13R1.14 O[C@@H](CF)CNc1ccc(cc1)Cl 2230a_100000210052_100015614560 [0,1,0,0,0,1|2,0,0]=4 4407 B13R1.14 O[C@@H](CF)CNc1ccc(cc1)Cl 34a_100000210052_100015614560 [0,1,0,0,0,1|2,0,0]=4 4408 B13R1.14 O[C@@H](CF)CNc1ccc(cc1)F 34a_100000185862_100015614560 [0,1,0,0,0,1|2,0,0]=4 4409 B13R1.14 O[C@@H](CF)CNc1ccc(cc1)I 34a_100000185761_100015614560 [0,1,0,0,0,1|2,0,0]=4 4410 B13R1.14 O[C@@H](CF)COc1ccc(cc1)Br 34a_100000185759_100015614560 [0,1,0,0,0,1|2,0,0]=4 4411 B13R1.14 O[C@@H](CF)COc1ccc(cc1)Br 7a_100000185759_100015614560 [0,1,0,0,0,1|2,0,0]=4 4412 B13R1.14 O[C@@H](CF)COc1ccc(cc1)Cl 34a_100000210216_100015614560 [0,1,0,0,0,1|2,0,0]=4 4413 B13R1.14 O[C@@H](CF)COc1ccc(cc1)Cl 7a_100000210216_100015614560 [0,1,0,0,0,1|2,0,0]=4 4414 B13R1.14 O[C@@H](CF)COc1ccc(cc1)F 34a_100000210339_100015614560 [0,1,0,0,0,1|2,0,0]=4 4415 B13R1.14 O[C@@H](CF)COc1ccc(cc1)I 34a_100000212066_100015614560 [0,1,0,0,0,1|2,0,0]=4 4416 B13R1.14 O[C@@H](CF)COc1ccc(cc1)I 7a_100000212066_100015614560 [0,1,0,0,0,1|2,0,0]=4 4417 B13R1.14 O[C@@H](CF)CSc1ccc(cc1)Br 62a_100000752885_100015614560 [0,1,0,0,0,1|2,0,0]=4 4418 B13R1.14 O[C@@H](CF)CSc1ccc(cc1)Br 62a_100015614560_100000752885 [0,1,0,0,0,1|2,0,0]=4 4419 B13R1.14 O[C@@H](CF)CSc1ccc(cc1)Cl 62a_100000755918_100015614560 [0,1,0,0,0,1|2,0,0]=4 4420 B13R1.14 O[C@@H](CF)CSc1ccc(cc1)Cl 62a_100015614560_100000755918 [0,1,0,0,0,1|2,0,0]=4 4421 B13R1.14 O[C@@H](CF)CSc1ccc(cc1)F 62a_100000211213_100015614560 [0,1,0,0,0,1|2,0,0]=4 4422 B13R1.14 O[C@@H](CF)CSc1ccc(cc1)F 62a_100015614560_100000211213 [0,1,0,0,0,1|2,0,0]=4 4423 B13R1.14 Oc1ccc(cc1)NC[C@@H](O)CF 34a_100000185829_100015614560 [0,1,0,0,0,1|2,0,0]=4 4424 B13R1.14 Oc1ccc(cc1)SC[C@@H](O)CF 62a_100015614560_100000185759 [0,1,0,0,0,1|2,0,0]=4 4425 B13R1.14 [O-][n+]1ccc(cc1)SCC(O)CO 62a_100011219619_100000039755 [0,1,0,0,0,1|2,0,0]=4 4426 B13R1.14 [O-][n+]1ccc(cc1)SC[C@@H](O)CO 62a_100009815848_100000039755 [0,1,0,0,0,1|2,0,0]=4 4427 B13R1.15 CC(CF)OCc1cccc(c1)Br 34a_100016041109_100000698116 [0,1,0,0,0,1|2,0,0]=4 4428 B13R1.15 CC(CF)OCc1cccc(c1)Br 7a_100016041109_100000211773 [0,1,0,0,0,1|2,0,0]=4 4429 B13R1.15 CC(CF)OCc1cccc(c1)Cl 34a_100016041109_100000187163 [0,1,0,0,0,1|2,0,0]=4 4430 B13R1.15 CC(CF)OCc1cccc(c1)Cl 7a_100016041109_100000187163 [0,1,0,0,0,1|2,0,0]=4 4431 B13R1.15 CC(CF)OCc1cccc(c1)F 34a_100016041109_100000187166 [0,1,0,0,0,1|2,0,0]=4 4432 B13R1.15 CC(CF)OCc1cccc(c1)F 7a_100016041109_100000230114 [0,1,0,0,0,1|2,0,0]=4 4433 B13R1.15 CC(CF)OCc1cccc(c1)I 34a_100016041109_100011218688 [0,1,0,0,0,1|2,0,0]=4 4434 B13R1.15 CC(CF)OCc1cccc(c1)I 7a_100016041109_100011218688 [0,1,0,0,0,1|2,0,0]=4 4435 B13R1.15 CC(CF)OCc1cccc(c1)O 34a_100016041109_100011660834 [0,1,0,0,0,1|2,0,0]=4 4436 B13R1.15 CC(CF)OCc1cccc(c1)O 7a_100016041109_100000084143 [0,1,0,0,0,1|2,0,0]=4 4437 B13R1.15 CC(CN)OCc1cccc(c1)Br 34a_100000210904_100000698116 [0,1,0,0,0,1|2,0,0]=4 4438 B13R1.15 CC(CN)OCc1cccc(c1)Cl 34a_100000210904_100000187163 [0,1,0,0,0,1|2,0,0]=4 4439 B13R1.15 CC(CN)OCc1cccc(c1)F 34a_100000210904_100000187166 [0,1,0,0,0,1|2,0,0]=4 4440 B13R1.15 CC(CN)OCc1cccc(c1)I 34a_100000210904_100011218688 [0,1,0,0,0,1|2,0,0]=4 4441 B13R1.15 CC(CN)OCc1cccc(c1)O 34a_100000210904_100011660834 [0,1,0,0,0,1|2,0,0]=4 4442 B13R1.15 CC(CO)CNc1cc(ccn1)F 27a_100000744482_100000764206 [0,1,0,0,0,1|2,0,0]=4 4443 B13R1.15 CC(CO)CNc1cc[nH]c(=O)c1 27a_100000744482_100000061649 [0,1,0,0,0,1|2,0,0]=4 4444 B13R1.15 CC(CO)CNc1cccc(n1)F 27a_100000744482_100009815982 [0,1,0,0,0,1|2,0,0]=4 4445 B13R1.15 CC(CO)CNc1ccnc(c1)F 27a_100000744482_100009816116 [0,1,0,0,0,1|2,0,0]=4 4446 B13R1.15 CC(CO)NCc1cccc(=O)[nH]1 2230a_100000696482_100012180447 [0,1,0,0,0,1|2,0,0]=4 4447 B13R1.15 CC(CO)NCc1cccc(c1)Br 2230a_100000174977_100012180447 [0,1,0,0,0,1|1,0,0]=3 4448 B13R1.15 CC(CO)NCc1cccc(c1)Br 34a_100000174977_100012180447 [0,1,0,0,0,1|1,0,0]=3 4449 B13R1.15 CC(CO)NCc1cccc(c1)Cl 2230a_100000174878_100012180447 [0,1,0,0,0,1|1,0,0]=3 4450 B13R1.15 CC(CO)NCc1cccc(c1)Cl 34a_100000174878_100012180447 [0,1,0,0,0,1|1,0,0]=3 4451 B13R1.15 CC(CO)NCc1cccc(c1)F 2230a_100000174948_100012180447 [0,1,0,0,0,1|1,0,0]=3 4452 B13R1.15 CC(CO)NCc1cccc(c1)F 34a_100000174948_100012180447 [0,1,0,0,0,1|1,0,0]=3 4453 B13R1.15 CC(CO)NCc1cccc(c1)I 2230a_100000106179_100012180447 [0,1,0,0,0,1|1,0,0]=3 4454 B13R1.15 CC(CO)NCc1cccc(c1)I 34a_100000106179_100012180447 [0,1,0,0,0,1|1,0,0]=3 4455 B13R1.15 CC(CO)NCc1cccc(c1)O 2230a_100000743036_100012180447 [0,1,0,0,0,1|1,0,0]=3 4456 B13R1.15 CC(CO)NCc1cccc(c1)O 34a_100000743036_100012180447 [0,1,0,0,0,1|1,0,0]=3 4457 B13R1.15 CC(CO)NCc1cccc(n1)Br 2230a_100016987751_100012180447 [0,1,0,0,0,1|2,0,0]=4 4458 B13R1.15 CC(CO)NCc1cccc(n1)Cl 2230a_100016990191_100012180447 [0,1,0,0,0,1|2,0,0]=4 4459 B13R1.15 CC(CO)NCc1cccc(n1)F 2230a_100015188798_100012180447 [0,1,0,0,0,1|2,0,0]=4 4460 B13R1.15 CC(CO)NCc1cccc(n1)F 34a_100015188798_100012180447 [0,1,0,0,0,1|2,0,0]=4 4461 B13R1.15 CC(CO)NCc1ccnc(c1)Br 2230a_100025757509_100012180447 [0,1,0,0,0,1|2,0,0]=4 4462 B13R1.15 CC(CO)NCc1ccnc(c1)Br 34a_100025757509_100012180447 [0,1,0,0,0,1|2,0,0]=4 4463 B13R1.15 CC(CO)NCc1ccnc(c1)Cl 2230a_100015205668_100012180447 [0,1,0,0,0,1|2,0,0]=4 4464 B13R1.15 CC(CO)NCc1ccnc(c1)Cl 34a_100015205668_100012180447 [0,1,0,0,0,1|2,0,0]=4 4465 B13R1.15 CC(CO)NCc1ccnc(c1)F 2230a_100015188774_100012180447 [0,1,0,0,0,1|2,0,0]=4 4466 B13R1.15 CC(CO)NCc1ccnc(c1)F 34a_100015188774_100012180447 [0,1,0,0,0,1|2,0,0]=4 4467 B13R1.15 CC(CO)NCc1cncc(c1)Cl 2230a_200020614424_100012180447 [0,1,0,0,0,1|2,0,0]=4 4468 B13R1.15 CC(CO)NCc1cncc(c1)F 2230a_100011962886_100012180447 [0,1,0,0,0,1|2,0,0]=4 4469 B13R1.15 CC(CO)NCc1cncc(c1)F 34a_100011962886_100012180447 [0,1,0,0,0,1|2,0,0]=4 4470 B13R1.15 CC(CO)OCc1cc(ccn1)Cl 34a_100000748867_100012180447 [0,1,0,0,0,1|2,0,0]=4 4471 B13R1.15 CC(CO)OCc1cc(ccn1)N 34a_100000692640_100012180447 [0,1,0,0,0,1|2,0,0]=4 4472 B13R1.15 CC(CO)OCc1ccc[n+](c1)[O-] 34a_100000037817_100012180447 [0,1,0,0,0,1|2,0,0]=4 4473 B13R1.15 CC(CO)OCc1ccc[n+](c1)[O-] 7a_100000037817_100012180447 [0,1,0,0,0,1|2,0,0]=4 4474 B13R1.15 CC(CO)OCc1cccc(c1)Br 34a_100000687537_100012180447 [0,1,0,0,0,1|1,0,0]=3 4475 B13R1.15 CC(CO)OCc1cccc(c1)Br 7a_100000687537_100012180447 [0,1,0,0,0,1|1,0,0]=3 4476 B13R1.15 CC(CO)OCc1cccc(c1)Cl 34a_100000241301_100012180447 [0,1,0,0,0,1|1,0,0]=3 4477 B13R1.15 CC(CO)OCc1cccc(c1)Cl 7a_100000241301_100012180447 [0,1,0,0,0,1|1,0,0]=3 4478 B13R1.15 CC(CO)OCc1cccc(c1)F 34a_100000210976_100012180447 [0,1,0,0,0,1|1,0,0]=3 4479 B13R1.15 CC(CO)OCc1cccc(c1)F 7a_100000210976_100012180447 [0,1,0,0,0,1|1,0,0]=3 4480 B13R1.15 CC(CO)OCc1cccc(c1)I 34a_100011215336_100012180447 [0,1,0,0,0,1|1,0,0]=3 4481 B13R1.15 CC(CO)OCc1cccc(c1)I 7a_100011215336_100012180447 [0,1,0,0,0,1|1,0,0]=3 4482 B13R1.15 CC(CO)OCc1cccc(c1)N 34a_100000211919_100012180447 [0,1,0,0,0,1|1,0,0]=3 4483 B13R1.15 CC(CO)OCc1cccc(n1)Br 34a_100000694195_100012180447 [0,1,0,0,0,1|2,0,0]=4 4484 B13R1.15 CC(CO)OCc1cccc(n1)Cl 34a_100011998359_100012180447 [0,1,0,0,0,1|2,0,0]=4 4485 B13R1.15 CC(CO)OCc1cccc(n1)F 34a_100000086748_100012180447 [0,1,0,0,0,1|2,0,0]=4 4486 B13R1.15 CC(CO)OCc1ccnc(c1)Br 34a_100009814636_100012180447 [0,1,0,0,0,1|2,0,0]=4 4487 B13R1.15 CC(CO)OCc1ccnc(c1)Br 7a_100009814636_100012180447 [0,1,0,0,0,1|2,0,0]=4 4488 B13R1.15 CC(CO)OCc1ccnc(c1)Cl 34a_100000748751_100012180447 [0,1,0,0,0,1|2,0,0]=4 4489 B13R1.15 CC(CO)OCc1ccnc(c1)F 34a_100000082451_100012180447 [0,1,0,0,0,1|2,0,0]=4 4490 B13R1.15 CC(CO)OCc1cncc(c1)Br 34a_100011259137_100012180447 [0,1,0,0,0,1|2,0,0]=4 4491 B13R1.15 CC(CO)OCc1cncc(c1)Br 7a_100011259137_100012180447 [0,1,0,0,0,1|2,0,0]=4 4492 B13R1.15 CC(CO)OCc1cncc(c1)Cl 34a_100000092867_100012180447 [0,1,0,0,0,1|2,0,0]=4 4493 B13R1.15 CC(CO)OCc1cncc(c1)Cl 7a_100000092867_100012180447 [0,1,0,0,0,1|2,0,0]=4 4494 B13R1.15 CC(CO)OCc1cncc(c1)F 34a_100011962875_100012180447 [0,1,0,0,0,1|2,0,0]=4 4495 B13R1.15 CC(CO)OCc1cncc(c1)F 7a_100011962875_100012180447 [0,1,0,0,0,1|2,0,0]=4 4496 B13R1.15 CC(CO)OCc1cncc(c1)N 34a_100000085308_100012180447 [0,1,0,0,0,1|2,0,0]=4 4497 B13R1.15 CC(CO)SCc1cc(ccn1)Br 62a_100012180447_100010173614 [0,1,0,0,0,1|2,0,0]=4 4498 B13R1.15 CC(CO)SCc1cc(ccn1)Cl 62a_100012180447_100016988179 [0,1,0,0,0,1|2,0,0]=4 4499 B13R1.15 CC(CO)SCc1cccc(c1)Br 62a_100012180447_100000211773 [0,1,0,0,0,1|1,0,0]=3 4500 B13R1.15 CC(CO)SCc1cccc(c1)Cl 62a_100012180447_100000187163 [0,1,0,0,0,1|1,0,0]=3 4501 B13R1.15 CC(CO)SCc1cccc(c1)F 62a_100012180447_100000230114 [0,1,0,0,0,1|1,0,0]=3 4502 B13R1.15 CC(CO)SCc1cccc(c1)I 62a_100012180447_100011218688 [0,1,0,0,0,1|1,0,0]=3 4503 B13R1.15 CC(CO)SCc1cccc(c1)O 62a_100012180447_100011660834 [0,1,0,0,0,1|1,0,0]=3 4504 B13R1.15 CC(CO)SCc1cccc(n1)Br 62a_100012180447_100009889011 [0,1,0,0,0,1|2,0,0]=4 4505 B13R1.15 CC(CO)SCc1cccc(n1)Cl 62a_100012180447_100000086093 [0,1,0,0,0,1|2,0,0]=4 4506 B13R1.15 CC(CO)SCc1cccc(n1)F 62a_100012180447_100009819644 [0,1,0,0,0,1|2,0,0]=4 4507 B13R1.15 CC(CO)SCc1ccnc(c1)Br 62a_100012180447_100010243470 [0,1,0,0,0,1|2,0,0]=4 4508 B13R1.15 CC(CO)SCc1ccnc(c1)Cl 62a_100012180447_100000764220 [0,1,0,0,0,1|2,0,0]=4 4509 B13R1.15 CC(CO)SCc1cncc(c1)Br 62a_100012180447_100000738771 [0,1,0,0,0,1|2,0,0]=4 4510 B13R1.15 CC(CO)SCc1cncc(c1)Cl 62a_100012180447_100016992070 [0,1,0,0,0,1|2,0,0]=4 4511 B13R1.15 CC(CO)SCc1cncc(c1)F 62a_100012180447_100000725299 [0,1,0,0,0,1|2,0,0]=4 4512 B13R1.15 CCC(C)CNc1cccc(c1)Br 34a_100000210019_100000748023 [0,1,0,0,0,1|2,0,0]=4 4513 B13R1.15 CCC(C)CNc1cccc(c1)C 2230a_100000188690_100000748023 [0,1,0,0,0,1|2,0,0]=4 4514 B13R1.15 CCC(C)CNc1cccc(c1)C 34a_100000188690_100000748023 [0,1,0,0,0,1|2,0,0]=4 4515 B13R1.15 CCC(C)CNc1cccc(c1)Cl 34a_100000185859_100000748023 [0,1,0,0,0,1|2,0,0]=4 4516 B13R1.15 CCC(C)CNc1cccc(c1)F 34a_100000210047_100000748023 [0,1,0,0,0,1|2,0,0]=4 4517 B13R1.15 CCC(C)CNc1cccc(c1)I 34a_100000211102_100000748023 [0,1,0,0,0,1|2,0,0]=4 4518 B13R1.15 CCC(C)CNc1cccc(c1)O 34a_100000210217_100000748023 [0,1,0,0,0,1|2,0,0]=4 4519 B13R1.15 CCC(C)COc1cccc(c1)Br 34a_100000210342_100000748023 [0,1,0,0,0,1|2,0,0]=4 4520 B13R1.15 CCC(C)COc1cccc(c1)Br 7a_100000210342_100000748023 [0,1,0,0,0,1|2,0,0]=4 4521 B13R1.15 CCC(C)COc1cccc(c1)C 34a_100000210337_100000748023 [0,1,0,0,0,1|2,0,0]=4 4522 B13R1.15 CCC(C)COc1cccc(c1)C 7a_100000210337_100000748023 [0,1,0,0,0,1|2,0,0]=4 4523 B13R1.15 CCC(C)COc1cccc(c1)Cl 34a_100000210295_100000748023 [0,1,0,0,0,1|2,0,0]=4 4524 B13R1.15 CCC(C)COc1cccc(c1)Cl 7a_100000210295_100000748023 [0,1,0,0,0,1|2,0,0]=4 4525 B13R1.15 CCC(C)COc1cccc(c1)F 34a_100000210426_100000748023 [0,1,0,0,0,1|2,0,0]=4 4526 B13R1.15 CCC(C)COc1cccc(c1)F 7a_100000210426_100000748023 [0,1,0,0,0,1|2,0,0]=4 4527 B13R1.15 CCC(C)COc1cccc(c1)I 34a_100000211634_100000748023 [0,1,0,0,0,1|2,0,0]=4 4528 B13R1.15 CCC(C)COc1cccc(c1)I 7a_100000211634_100000748023 [0,1,0,0,0,1|2,0,0]=4 4529 B13R1.15 CCC(C)COc1cccc(c1)N 34a_100000210217_100000748023 [0,1,0,0,0,1|2,0,0]=4 4530 B13R1.15 CCC(C)CSc1cccc(c1)Br 62a_100000691529_100000748023 [0,1,0,0,0,1|2,0,0]=4 4531 B13R1.15 CCC(C)CSc1cccc(c1)Br 62a_100000748023_100000691529 [0,1,0,0,0,1|2,0,0]=4 4532 B13R1.15 CCC(C)CSc1cccc(c1)C 62a_100000748023_100011215228 [0,1,0,0,0,1|2,0,0]=4 4533 B13R1.15 CCC(C)CSc1cccc(c1)C 62a_100011215228_100000748023 [0,1,0,0,0,1|2,0,0]=4 4534 B13R1.15 CCC(C)CSc1cccc(c1)Cl 62a_100000699651_100000748023 [0,1,0,0,0,1|2,0,0]=4 4535 B13R1.15 CCC(C)CSc1cccc(c1)Cl 62a_100000748023_100000699651 [0,1,0,0,0,1|2,0,0]=4 4536 B13R1.15 CCC(C)CSc1cccc(c1)F 62a_100000685547_100000748023 [0,1,0,0,0,1|2,0,0]=4 4537 B13R1.15 CCC(C)CSc1cccc(c1)F 62a_100000748023_100000685547 [0,1,0,0,0,1|2,0,0]=4 4538 B13R1.15 CCC(C)CSc1cccc(c1)N 62a_100000210019_100000748023 [0,1,0,0,0,1|2,0,0]=4 4539 B13R1.15 CCC(C)CSc1cccc(c1)N 62a_100000748023_100000210019 [0,1,0,0,0,1|2,0,0]=4 4540 B13R1.15 CCC(C)CSc1cccc(c1)O 62a_100000748023_100000211634 [0,1,0,0,0,1|2,0,0]=4 4541 B13R1.15 CCC(C)CSc1cccc(c1)[S] 62a_100000748023_114929384022 [0,1,0,0,0,1|2,0,0]=4 4542 B13R1.15 CCC(C)CSc1cccc(c1)[S] 62a_114929384022_100000748023 [0,1,0,0,0,1|2,0,0]=4 4543 B13R1.15 CCC(C)NCc1cccc(c1)Br 207a_100000209981_100000210085 [0,1,0,0,0,1|2,0,0]=4 4544 B13R1.15 CCC(C)NCc1cccc(c1)Br 2230a_100000174977_100000758301 [0,1,0,0,0,1|2,0,0]=4 4545 B13R1.15 CCC(C)NCc1cccc(c1)Br 2230a_100000209981_100000698116 [0,1,0,0,0,1|2,0,0]=4 4546 B13R1.15 CCC(C)NCc1cccc(c1)Br 270004a_100000209981_100000210085 [0,1,0,0,0,1|2,0,0]=4 4547 B13R1.15 CCC(C)NCc1cccc(c1)Br 34a_100000174977_100011215416 [0,1,0,0,0,1|2,0,0]=4 4548 B13R1.15 CCC(C)NCc1cccc(c1)C 207a_100000209981_100000211157 [0,1,0,0,0,1|2,0,0]=4 4549 B13R1.15 CCC(C)NCc1cccc(c1)C 2230a_100000185548_100000758301 [0,1,0,0,0,1|2,0,0]=4 4550 B13R1.15 CCC(C)NCc1cccc(c1)C 2230a_100000209981_100000211840 [0,1,0,0,0,1|2,0,0]=4 4551 B13R1.15 CCC(C)NCc1cccc(c1)C 270004a_100000209981_100000211157 [0,1,0,0,0,1|2,0,0]=4 4552 B13R1.15 CCC(C)NCc1cccc(c1)C 34a_100000185548_100011215416 [0,1,0,0,0,1|2,0,0]=4 4553 B13R1.15 CCC(C)NCc1cccc(c1)Cl 207a_100000209981_100000210801 [0,1,0,0,0,1|2,0,0]=4 4554 B13R1.15 CCC(C)NCc1cccc(c1)Cl 2230a_100000174878_100000758301 [0,1,0,0,0,1|2,0,0]=4 4555 B13R1.15 CCC(C)NCc1cccc(c1)Cl 2230a_100000209981_100000181238 [0,1,0,0,0,1|2,0,0]=4 4556 B13R1.15 CCC(C)NCc1cccc(c1)Cl 270004a_100000209981_100000210801 [0,1,0,0,0,1|2,0,0]=4 4557 B13R1.15 CCC(C)NCc1cccc(c1)Cl 34a_100000174878_100011215416 [0,1,0,0,0,1|2,0,0]=4 4558 B13R1.15 CCC(C)NCc1cccc(c1)F 207a_100000209981_100000210812 [0,1,0,0,0,1|2,0,0]=4 4559 B13R1.15 CCC(C)NCc1cccc(c1)F 2230a_100000174948_100000758301 [0,1,0,0,0,1|2,0,0]=4 4560 B13R1.15 CCC(C)NCc1cccc(c1)F 2230a_100000209981_100000230114 [0,1,0,0,0,1|2,0,0]=4 4561 B13R1.15 CCC(C)NCc1cccc(c1)F 270004a_100000209981_100000210812 [0,1,0,0,0,1|2,0,0]=4 4562 B13R1.15 CCC(C)NCc1cccc(c1)F 34a_100000174948_100011215416 [0,1,0,0,0,1|2,0,0]=4 4563 B13R1.15 CCC(C)NCc1cccc(c1)I 207a_100000209981_100000014684 [0,1,0,0,0,1|2,0,0]=4 4564 B13R1.15 CCC(C)NCc1cccc(c1)I 2230a_100000106179_100000758301 [0,1,0,0,0,1|2,0,0]=4 4565 B13R1.15 CCC(C)NCc1cccc(c1)I 2230a_100000209981_100011218688 [0,1,0,0,0,1|2,0,0]=4 4566 B13R1.15 CCC(C)NCc1cccc(c1)I 270004a_100000209981_100000014684 [0,1,0,0,0,1|2,0,0]=4 4567 B13R1.15 CCC(C)NCc1cccc(c1)I 34a_100000106179_100011215416 [0,1,0,0,0,1|2,0,0]=4 4568 B13R1.15 CCC(C)NCc1cccc(c1)O 207a_100000209981_100000188321 [0,1,0,0,0,1|2,0,0]=4 4569 B13R1.15 CCC(C)NCc1cccc(c1)O 2230a_100000209981_100011660834 [0,1,0,0,0,1|2,0,0]=4 4570 B13R1.15 CCC(C)NCc1cccc(c1)O 2230a_100000743036_100000758301 [0,1,0,0,0,1|2,0,0]=4 4571 B13R1.15 CCC(C)NCc1cccc(c1)O 270004a_100000209981_100000188321 [0,1,0,0,0,1|2,0,0]=4 4572 B13R1.15 CCC(C)NCc1cccc(c1)O 271570a_203496583355_100015184642 [0,1,0,0,0,1|2,0,0]=4 4573 B13R1.15 CCC(C)NCc1cccc(c1)O 34a_100000743036_100011215416 [0,1,0,0,0,1|2,0,0]=4 4574 B13R1.15 CCC(C)OCc1cccc(c1)Br 34a_100000687537_100011215416 [0,1,0,0,0,1|2,0,0]=4 4575 B13R1.15 CCC(C)OCc1cccc(c1)Br 7a_100000210228_100000211773 [0,1,0,0,0,1|2,0,0]=4 4576 B13R1.15 CCC(C)OCc1cccc(c1)Br 7a_100000687537_100000758301 [0,1,0,0,0,1|2,0,0]=4 4577 B13R1.15 CCC(C)OCc1cccc(c1)C 34a_100011217746_100011215416 [0,1,0,0,0,1|2,0,0]=4 4578 B13R1.15 CCC(C)OCc1cccc(c1)C 7a_100000210228_100000211840 [0,1,0,0,0,1|2,0,0]=4 4579 B13R1.15 CCC(C)OCc1cccc(c1)C 7a_100011217746_100000758301 [0,1,0,0,0,1|2,0,0]=4 4580 B13R1.15 CCC(C)OCc1cccc(c1)Cl 34a_100000241301_100011215416 [0,1,0,0,0,1|2,0,0]=4 4581 B13R1.15 CCC(C)OCc1cccc(c1)Cl 7a_100000210228_100000187163 [0,1,0,0,0,1|2,0,0]=4 4582 B13R1.15 CCC(C)OCc1cccc(c1)Cl 7a_100000241301_100000758301 [0,1,0,0,0,1|2,0,0]=4 4583 B13R1.15 CCC(C)OCc1cccc(c1)F 34a_100000210976_100011215416 [0,1,0,0,0,1|2,0,0]=4 4584 B13R1.15 CCC(C)OCc1cccc(c1)F 7a_100000210228_100000230114 [0,1,0,0,0,1|2,0,0]=4 4585 B13R1.15 CCC(C)OCc1cccc(c1)F 7a_100000210976_100000758301 [0,1,0,0,0,1|2,0,0]=4 4586 B13R1.15 CCC(C)OCc1cccc(c1)I 34a_100011215336_100011215416 [0,1,0,0,0,1|2,0,0]=4 4587 B13R1.15 CCC(C)OCc1cccc(c1)I 7a_100000210228_100011218688 [0,1,0,0,0,1|2,0,0]=4 4588 B13R1.15 CCC(C)OCc1cccc(c1)I 7a_100011215336_100000758301 [0,1,0,0,0,1|2,0,0]=4 4589 B13R1.15 CCC(C)OCc1cccc(c1)N 34a_100000211919_100011215416 [0,1,0,0,0,1|2,0,0]=4 4590 B13R1.15 CCC(C)OCc1cccc(c1)O 7a_100000210228_100000084143 [0,1,0,0,0,1|2,0,0]=4 4591 B13R1.15 CCC(C)SCc1cccc(c1)Br 62a_100000211773_100000758301 [0,1,0,0,0,1|2,0,0]=4 4592 B13R1.15 CCC(C)SCc1cccc(c1)Br 62a_100000758301_100000211773 [0,1,0,0,0,1|2,0,0]=4 4593 B13R1.15 CCC(C)SCc1cccc(c1)C 62a_100000211840_100000758301 [0,1,0,0,0,1|2,0,0]=4 4594 B13R1.15 CCC(C)SCc1cccc(c1)C 62a_100000758301_100000211840 [0,1,0,0,0,1|2,0,0]=4 4595 B13R1.15 CCC(C)SCc1cccc(c1)Cl 62a_100000187163_100000758301 [0,1,0,0,0,1|2,0,0]=4 4596 B13R1.15 CCC(C)SCc1cccc(c1)Cl 62a_100000758301_100000187163 [0,1,0,0,0,1|2,0,0]=4 4597 B13R1.15 CCC(C)SCc1cccc(c1)F 62a_100000230114_100000758301 [0,1,0,0,0,1|2,0,0]=4 4598 B13R1.15 CCC(C)SCc1cccc(c1)F 62a_100000758301_100000230114 [0,1,0,0,0,1|2,0,0]=4 4599 B13R1.15 CCC(C)SCc1cccc(c1)I 62a_100000758301_100011218688 [0,1,0,0,0,1|2,0,0]=4 4600 B13R1.15 CCC(C)SCc1cccc(c1)I 62a_100011218688_100000758301 [0,1,0,0,0,1|2,0,0]=4 4601 B13R1.15 CCC(C)SCc1cccc(c1)O 62a_100000758301_100011660834 [0,1,0,0,0,1|2,0,0]=4 4602 B13R1.15 CCC(C)SCc1cccc(c1)O 62a_100011660834_100000758301 [0,1,0,0,0,1|2,0,0]=4 4603 B13R1.15 CCC(O)CNc1cccc(c1)Br 34a_100000210019_100011218378 [0,1,0,0,0,1|2,0,0]=4 4604 B13R1.15 CCC(O)CNc1cccc(c1)C 2230a_100000188690_100011218378 [0,1,0,0,0,1|2,0,0]=4 4605 B13R1.15 CCC(O)CNc1cccc(c1)C 34a_100000188690_100011218378 [0,1,0,0,0,1|2,0,0]=4 4606 B13R1.15 CCC(O)CNc1cccc(c1)Cl 34a_100000185859_100011218378 [0,1,0,0,0,1|2,0,0]=4 4607 B13R1.15 CCC(O)CNc1cccc(c1)F 34a_100000210047_100011218378 [0,1,0,0,0,1|2,0,0]=4 4608 B13R1.15 CCC(O)CNc1cccc(c1)I 34a_100000211102_100011218378 [0,1,0,0,0,1|2,0,0]=4 4609 B13R1.15 CCC(O)CNc1cccc(c1)O 34a_100000210217_100011218378 [0,1,0,0,0,1|2,0,0]=4 4610 B13R1.15 CCC(O)COc1cccc(c1)Br 34a_100000210342_100011218378 [0,1,0,0,0,1|2,0,0]=4 4611 B13R1.15 CCC(O)COc1cccc(c1)Br 7a_100000210342_100011218378 [0,1,0,0,0,1|2,0,0]=4 4612 B13R1.15 CCC(O)COc1cccc(c1)C 34a_100000210337_100011218378 [0,1,0,0,0,1|2,0,0]=4 4613 B13R1.15 CCC(O)COc1cccc(c1)C 7a_100000210337_100011218378 [0,1,0,0,0,1|2,0,0]=4 4614 B13R1.15 CCC(O)COc1cccc(c1)Cl 34a_100000210295_100011218378 [0,1,0,0,0,1|2,0,0]=4 4615 B13R1.15 CCC(O)COc1cccc(c1)Cl 7a_100000210295_100011218378 [0,1,0,0,0,1|2,0,0]=4 4616 B13R1.15 CCC(O)COc1cccc(c1)F 34a_100000210426_100011218378 [0,1,0,0,0,1|2,0,0]=4 4617 B13R1.15 CCC(O)COc1cccc(c1)F 7a_100000210426_100011218378 [0,1,0,0,0,1|2,0,0]=4 4618 B13R1.15 CCC(O)COc1cccc(c1)I 34a_100000211634_100011218378 [0,1,0,0,0,1|2,0,0]=4 4619 B13R1.15 CCC(O)COc1cccc(c1)I 7a_100000211634_100011218378 [0,1,0,0,0,1|2,0,0]=4 4620 B13R1.15 CCC(O)COc1cccc(c1)N 34a_100000210217_100011218378 [0,1,0,0,0,1|2,0,0]=4 4621 B13R1.15 CCC(O)CSc1cccc(c1)Br 62a_100000691529_100011218378 [0,1,0,0,0,1|2,0,0]=4 4622 B13R1.15 CCC(O)CSc1cccc(c1)Br 62a_100011218378_100000691529 [0,1,0,0,0,1|2,0,0]=4 4623 B13R1.15 CCC(O)CSc1cccc(c1)C 62a_100011215228_100011218378 [0,1,0,0,0,1|2,0,0]=4 4624 B13R1.15 CCC(O)CSc1cccc(c1)C 62a_100011218378_100011215228 [0,1,0,0,0,1|2,0,0]=4 4625 B13R1.15 CCC(O)CSc1cccc(c1)Cl 62a_100000699651_100011218378 [0,1,0,0,0,1|2,0,0]=4 4626 B13R1.15 CCC(O)CSc1cccc(c1)Cl 62a_100011218378_100000699651 [0,1,0,0,0,1|2,0,0]=4 4627 B13R1.15 CCC(O)CSc1cccc(c1)F 62a_100000685547_100011218378 [0,1,0,0,0,1|2,0,0]=4 4628 B13R1.15 CCC(O)CSc1cccc(c1)F 62a_100011218378_100000685547 [0,1,0,0,0,1|2,0,0]=4 4629 B13R1.15 CCC(O)CSc1cccc(c1)N 62a_100000210019_100011218378 [0,1,0,0,0,1|2,0,0]=4 4630 B13R1.15 CCC(O)CSc1cccc(c1)N 62a_100011218378_100000210019 [0,1,0,0,0,1|2,0,0]=4 4631 B13R1.15 CCC(O)CSc1cccc(c1)O 62a_100011218378_100000211634 [0,1,0,0,0,1|2,0,0]=4 4632 B13R1.15 CCC(O)CSc1cccc(c1)[S] 62a_100011218378_114929384022 [0,1,0,0,0,1|2,0,0]=4 4633 B13R1.15 CCC(O)CSc1cccc(c1)[S] 62a_114929384022_100011218378 [0,1,0,0,0,1|2,0,0]=4 4634 B13R1.15 CC[C@H](C)CNc1cccc(c1)Br 34a_100000210019_100009816398 [0,1,0,0,0,1|2,0,0]=4 4635 B13R1.15 CC[C@H](C)CNc1cccc(c1)C 2230a_100000188690_100009816398 [0,1,0,0,0,1|2,0,0]=4 4636 B13R1.15 CC[C@H](C)CNc1cccc(c1)C 34a_100000188690_100009816398 [0,1,0,0,0,1|2,0,0]=4 4637 B13R1.15 CC[C@H](C)CNc1cccc(c1)Cl 34a_100000185859_100009816398 [0,1,0,0,0,1|2,0,0]=4 4638 B13R1.15 CC[C@H](C)CNc1cccc(c1)F 34a_100000210047_100009816398 [0,1,0,0,0,1|2,0,0]=4 4639 B13R1.15 CC[C@H](C)CNc1cccc(c1)I 34a_100000211102_100009816398 [0,1,0,0,0,1|2,0,0]=4 4640 B13R1.15 CC[C@H](C)CNc1cccc(c1)O 34a_100000210217_100009816398 [0,1,0,0,0,1|2,0,0]=4 4641 B13R1.15 CC[C@H](C)COc1cccc(c1)Br 34a_100000210342_100009816398 [0,1,0,0,0,1|2,0,0]=4 4642 B13R1.15 CC[C@H](C)COc1cccc(c1)Br 7a_100000210342_100009816398 [0,1,0,0,0,1|2,0,0]=4 4643 B13R1.15 CC[C@H](C)COc1cccc(c1)C 34a_100000210337_100009816398 [0,1,0,0,0,1|2,0,0]=4 4644 B13R1.15 CC[C@H](C)COc1cccc(c1)C 7a_100000210337_100009816398 [0,1,0,0,0,1|2,0,0]=4 4645 B13R1.15 CC[C@H](C)COc1cccc(c1)Cl 34a_100000210295_100009816398 [0,1,0,0,0,1|2,0,0]=4 4646 B13R1.15 CC[C@H](C)COc1cccc(c1)Cl 7a_100000210295_100009816398 [0,1,0,0,0,1|2,0,0]=4 4647 B13R1.15 CC[C@H](C)COc1cccc(c1)F 34a_100000210426_100009816398 [0,1,0,0,0,1|2,0,0]=4 4648 B13R1.15 CC[C@H](C)COc1cccc(c1)F 7a_100000210426_100009816398 [0,1,0,0,0,1|2,0,0]=4 4649 B13R1.15 CC[C@H](C)COc1cccc(c1)I 34a_100000211634_100009816398 [0,1,0,0,0,1|2,0,0]=4 4650 B13R1.15 CC[C@H](C)COc1cccc(c1)I 7a_100000211634_100009816398 [0,1,0,0,0,1|2,0,0]=4 4651 B13R1.15 CC[C@H](C)COc1cccc(c1)N 34a_100000210217_100009816398 [0,1,0,0,0,1|2,0,0]=4 4652 B13R1.15 CC[C@H](C)CSc1cccc(c1)Br 62a_100000691529_100009816398 [0,1,0,0,0,1|2,0,0]=4 4653 B13R1.15 CC[C@H](C)CSc1cccc(c1)Br 62a_100009816398_100000691529 [0,1,0,0,0,1|2,0,0]=4 4654 B13R1.15 CC[C@H](C)CSc1cccc(c1)C 62a_100009816398_100011215228 [0,1,0,0,0,1|2,0,0]=4 4655 B13R1.15 CC[C@H](C)CSc1cccc(c1)C 62a_100011215228_100009816398 [0,1,0,0,0,1|2,0,0]=4 4656 B13R1.15 CC[C@H](C)CSc1cccc(c1)Cl 62a_100000699651_100009816398 [0,1,0,0,0,1|2,0,0]=4 4657 B13R1.15 CC[C@H](C)CSc1cccc(c1)Cl 62a_100009816398_100000699651 [0,1,0,0,0,1|2,0,0]=4 4658 B13R1.15 CC[C@H](C)CSc1cccc(c1)F 62a_100000685547_100009816398 [0,1,0,0,0,1|2,0,0]=4 4659 B13R1.15 CC[C@H](C)CSc1cccc(c1)F 62a_100009816398_100000685547 [0,1,0,0,0,1|2,0,0]=4 4660 B13R1.15 CC[C@H](C)CSc1cccc(c1)N 62a_100000210019_100009816398 [0,1,0,0,0,1|2,0,0]=4 4661 B13R1.15 CC[C@H](C)CSc1cccc(c1)N 62a_100009816398_100000210019 [0,1,0,0,0,1|2,0,0]=4 4662 B13R1.15 CC[C@H](C)CSc1cccc(c1)O 62a_100009816398_100000211634 [0,1,0,0,0,1|2,0,0]=4 4663 B13R1.15 CC[C@H](C)CSc1cccc(c1)[S] 62a_100009816398_114929384022 [0,1,0,0,0,1|2,0,0]=4 4664 B13R1.15 CC[C@H](C)CSc1cccc(c1)[S] 62a_114929384022_100009816398 [0,1,0,0,0,1|2,0,0]=4 4665 B13R1.15 C[C@@H](CO)CNc1cccc(c1)Br 34a_100000210019_100000059175 [0,1,0,0,0,1|1,0,0]=3 4666 B13R1.15 C[C@@H](CO)CNc1cccc(c1)Cl 34a_100000185859_100000059175 [0,1,0,0,0,1|1,0,0]=3 4667 B13R1.15 C[C@@H](CO)CNc1cccc(c1)F 34a_100000210047_100000059175 [0,1,0,0,0,1|1,0,0]=3 4668 B13R1.15 C[C@@H](CO)CNc1cccc(c1)I 34a_100000211102_100000059175 [0,1,0,0,0,1|1,0,0]=3 4669 B13R1.15 C[C@@H](CO)CNc1cccc(c1)O 34a_100000210217_100000059175 [0,1,0,0,0,1|1,0,0]=3 4670 B13R1.15 C[C@@H](CO)COc1cc[nH]c(=O)c1 34a_100000032262_100000059175 [0,1,0,0,0,1|2,0,0]=4 4671 B13R1.15 C[C@@H](CO)COc1ccc[n+](c1)[O-] 34a_100000039713_100000059175 [0,1,0,0,0,1|2,0,0]=4 4672 B13R1.15 C[C@@H](CO)COc1ccc[n+](c1)[O-] 7a_100000039713_100000059175 [0,1,0,0,0,1|2,0,0]=4 4673 B13R1.15 C[C@@H](CO)COc1cccc(=O)[nH]1 34a_100000033347_100000059175 [0,1,0,0,0,1|2,0,0]=4 4674 B13R1.15 C[C@@H](CO)COc1cccc(c1)Br 34a_100000210342_100000059175 [0,1,0,0,0,1|1,0,0]=3 4675 B13R1.15 C[C@@H](CO)COc1cccc(c1)Br 7a_100000210342_100000059175 [0,1,0,0,0,1|1,0,0]=3 4676 B13R1.15 C[C@@H](CO)COc1cccc(c1)Cl 34a_100000210295_100000059175 [0,1,0,0,0,1|1,0,0]=3 4677 B13R1.15 C[C@@H](CO)COc1cccc(c1)Cl 7a_100000210295_100000059175 [0,1,0,0,0,1|1,0,0]=3 4678 B13R1.15 C[C@@H](CO)COc1cccc(c1)F 34a_100000210426_100000059175 [0,1,0,0,0,1|1,0,0]=3 4679 B13R1.15 C[C@@H](CO)COc1cccc(c1)F 7a_100000210426_100000059175 [0,1,0,0,0,1|1,0,0]=3 4680 B13R1.15 C[C@@H](CO)COc1cccc(c1)I 34a_100000211634_100000059175 [0,1,0,0,0,1|1,0,0]=3 4681 B13R1.15 C[C@@H](CO)COc1cccc(c1)I 7a_100000211634_100000059175 [0,1,0,0,0,1|1,0,0]=3 4682 B13R1.15 C[C@@H](CO)COc1cccc(c1)N 34a_100000210217_100000059175 [0,1,0,0,0,1|1,0,0]=3 4683 B13R1.15 C[C@@H](CO)COc1cccc(n1)F 34a_100011432558_100000059175 [0,1,0,0,0,1|2,0,0]=4 4684 B13R1.15 C[C@@H](CO)COc1ccnc(c1)Cl 34a_100000762945_100000059175 [0,1,0,0,0,1|2,0,0]=4 4685 B13R1.15 C[C@@H](CO)COc1ccnc(c1)F 34a_100000732698_100000059175 [0,1,0,0,0,1|2,0,0]=4 4686 B13R1.15 C[C@@H](CO)COc1ccnc(c1)N 34a_100011834064_100000059175 [0,1,0,0,0,1|2,0,0]=4 4687 B13R1.15 C[C@@H](CO)COc1cncc(c1)Br 34a_100000754920_100000059175 [0,1,0,0,0,1|2,0,0]=4 4688 B13R1.15 C[C@@H](CO)COc1cncc(c1)Br 7a_100000754920_100000059175 [0,1,0,0,0,1|2,0,0]=4 4689 B13R1.15 C[C@@H](CO)COc1cncc(c1)Cl 7a_100000032511_100000059175 [0,1,0,0,0,1|2,0,0]=4 4690 B13R1.15 C[C@@H](CO)COc1cncc(c1)F 34a_100011830296_100000059175 [0,1,0,0,0,1|2,0,0]=4 4691 B13R1.15 C[C@@H](CO)COc1cncc(c1)F 7a_100011830296_100000059175 [0,1,0,0,0,1|2,0,0]=4 4692 B13R1.15 C[C@@H](CO)COc1cncc(c1)N 34a_100011997051_100000059175 [0,1,0,0,0,1|2,0,0]=4 4693 B13R1.15 C[C@@H](CO)CSc1cc(=O)cc[nH]1 62a_100009817434_100000059175 [0,1,0,0,0,1|2,0,0]=4 4694 B13R1.15 C[C@@H](CO)CSc1cc(ccn1)Cl 62a_100000059175_100010167805 [0,1,0,0,0,1|2,0,0]=4 4695 B13R1.15 C[C@@H](CO)CSc1cc(ccn1)Cl 62a_100010167805_100000059175 [0,1,0,0,0,1|2,0,0]=4 4696 B13R1.15 C[C@@H](CO)CSc1cc(ccn1)F 62a_100000059175_100000764206 [0,1,0,0,0,1|2,0,0]=4 4697 B13R1.15 C[C@@H](CO)CSc1cc(ccn1)F 62a_100000764206_100000059175 [0,1,0,0,0,1|2,0,0]=4 4698 B13R1.15 C[C@@H](CO)CSc1cc(ccn1)N 62a_100000059175_100009814236 [0,1,0,0,0,1|2,0,0]=4 4699 B13R1.15 C[C@@H](CO)CSc1cc(ccn1)N 62a_100009814236_100000059175 [0,1,0,0,0,1|2,0,0]=4 4700 B13R1.15 C[C@@H](CO)CSc1cc(ccn1)O 62a_100000059175_100000762945 [0,1,0,0,0,1|2,0,0]=4 4701 B13R1.15 C[C@@H](CO)CSc1cc[nH]c(=O)c1 62a_100000059175_100009816521 [0,1,0,0,0,1|2,0,0]=4 4702 B13R1.15 C[C@@H](CO)CSc1cc[nH]c(=O)c1 62a_100009816521_100000059175 [0,1,0,0,0,1|2,0,0]=4 4703 B13R1.15 C[C@@H](CO)CSc1ccc[n+](c1)C 62a_100000059175_100009996589 [0,1,0,0,0,1|2,0,0]=4 4704 B13R1.15 C[C@@H](CO)CSc1ccc[n+](c1)C 62a_100009996589_100000059175 [0,1,0,0,0,1|2,0,0]=4 4705 B13R1.15 C[C@@H](CO)CSc1ccc[n+](c1)[O-] 62a_100000059175_100009815978 [0,1,0,0,0,1|2,0,0]=4 4706 B13R1.15 C[C@@H](CO)CSc1cccc(=O)[nH]1 62a_100000059175_100000752884 [0,1,0,0,0,1|2,0,0]=4 4707 B13R1.15 C[C@@H](CO)CSc1cccc(c1)Br 62a_100000059175_100000691529 [0,1,0,0,0,1|1,0,0]=3 4708 B13R1.15 C[C@@H](CO)CSc1cccc(c1)Br 62a_100000691529_100000059175 [0,1,0,0,0,1|1,0,0]=3 4709 B13R1.15 C[C@@H](CO)CSc1cccc(c1)Cl 62a_100000059175_100000699651 [0,1,0,0,0,1|1,0,0]=3 4710 B13R1.15 C[C@@H](CO)CSc1cccc(c1)Cl 62a_100000699651_100000059175 [0,1,0,0,0,1|1,0,0]=3 4711 B13R1.15 C[C@@H](CO)CSc1cccc(c1)F 62a_100000059175_100000685547 [0,1,0,0,0,1|1,0,0]=3 4712 B13R1.15 C[C@@H](CO)CSc1cccc(c1)F 62a_100000685547_100000059175 [0,1,0,0,0,1|1,0,0]=3 4713 B13R1.15 C[C@@H](CO)CSc1cccc(c1)N 62a_100000059175_100000210019 [0,1,0,0,0,1|1,0,0]=3 4714 B13R1.15 C[C@@H](CO)CSc1cccc(c1)N 62a_100000210019_100000059175 [0,1,0,0,0,1|1,0,0]=3 4715 B13R1.15 C[C@@H](CO)CSc1cccc(c1)O 62a_100000059175_100000211634 [0,1,0,0,0,1|1,0,0]=3 4716 B13R1.15 C[C@@H](CO)CSc1cccc(c1)[S] 62a_100000059175_114929384022 [0,1,0,0,0,1|1,0,0]=3 4717 B13R1.15 C[C@@H](CO)CSc1cccc(c1)[S] 62a_114929384022_100000059175 [0,1,0,0,0,1|1,0,0]=3 4718 B13R1.15 C[C@@H](CO)CSc1cccc(n1)Br 62a_100000059175_100000684672 [0,1,0,0,0,1|2,0,0]=4 4719 B13R1.15 C[C@@H](CO)CSc1cccc(n1)Br 62a_100000684672_100000059175 [0,1,0,0,0,1|2,0,0]=4 4720 B13R1.15 C[C@@H](CO)CSc1cccc(n1)Cl 62a_100000051397_100000059175 [0,1,0,0,0,1|2,0,0]=4 4721 B13R1.15 C[C@@H](CO)CSc1cccc(n1)Cl 62a_100000059175_100000051397 [0,1,0,0,0,1|2,0,0]=4 4722 B13R1.15 C[C@@H](CO)CSc1cccc(n1)F 62a_100000059175_100009815982 [0,1,0,0,0,1|2,0,0]=4 4723 B13R1.15 C[C@@H](CO)CSc1cccc(n1)F 62a_100009815982_100000059175 [0,1,0,0,0,1|2,0,0]=4 4724 B13R1.15 C[C@@H](CO)CSc1cccc(n1)N 62a_100000059175_100000740741 [0,1,0,0,0,1|2,0,0]=4 4725 B13R1.15 C[C@@H](CO)CSc1cccc(n1)N 62a_100000740741_100000059175 [0,1,0,0,0,1|2,0,0]=4 4726 B13R1.15 C[C@@H](CO)CSc1ccnc(c1)Br 62a_100000059175_100009814637 [0,1,0,0,0,1|2,0,0]=4 4727 B13R1.15 C[C@@H](CO)CSc1ccnc(c1)Br 62a_100009814637_100000059175 [0,1,0,0,0,1|2,0,0]=4 4728 B13R1.15 C[C@@H](CO)CSc1ccnc(c1)Cl 62a_100000035001_100000059175 [0,1,0,0,0,1|2,0,0]=4 4729 B13R1.15 C[C@@H](CO)CSc1ccnc(c1)Cl 62a_100000059175_100000035001 [0,1,0,0,0,1|2,0,0]=4 4730 B13R1.15 C[C@@H](CO)CSc1ccnc(c1)F 62a_100000059175_100009816116 [0,1,0,0,0,1|2,0,0]=4 4731 B13R1.15 C[C@@H](CO)CSc1ccnc(c1)F 62a_100009816116_100000059175 [0,1,0,0,0,1|2,0,0]=4 4732 B13R1.15 C[C@@H](CO)CSc1ccnc(c1)N 62a_100000049665_100000059175 [0,1,0,0,0,1|2,0,0]=4 4733 B13R1.15 C[C@@H](CO)CSc1ccnc(c1)N 62a_100000059175_100000049665 [0,1,0,0,0,1|2,0,0]=4 4734 B13R1.15 C[C@@H](CO)CSc1cncc(c1)Br 62a_100000059175_100000728054 [0,1,0,0,0,1|2,0,0]=4 4735 B13R1.15 C[C@@H](CO)CSc1cncc(c1)Br 62a_100000728054_100000059175 [0,1,0,0,0,1|2,0,0]=4 4736 B13R1.15 C[C@@H](CO)CSc1cncc(c1)Cl 62a_100000049639_100000059175 [0,1,0,0,0,1|2,0,0]=4 4737 B13R1.15 C[C@@H](CO)CSc1cncc(c1)Cl 62a_100000059175_100000049639 [0,1,0,0,0,1|2,0,0]=4 4738 B13R1.15 C[C@@H](CO)CSc1cncc(c1)F 62a_100000059175_100000744099 [0,1,0,0,0,1|2,0,0]=4 4739 B13R1.15 C[C@@H](CO)CSc1cncc(c1)F 62a_100000744099_100000059175 [0,1,0,0,0,1|2,0,0]=4 4740 B13R1.15 C[C@@H](CO)CSc1cncc(c1)N 62a_100000059175_100000687067 [0,1,0,0,0,1|2,0,0]=4 4741 B13R1.15 C[C@@H](CO)CSc1cncc(c1)N 62a_100000687067_100000059175 [0,1,0,0,0,1|2,0,0]=4 4742 B13R1.15 C[C@@H](CO)CSc1cncc(c1)O 62a_100000059175_100000754920 [0,1,0,0,0,1|2,0,0]=4 4743 B13R1.15 C[C@@H](CO)CSc1cncc(c1)O 62a_100000754920_100000059175 [0,1,0,0,0,1|2,0,0]=4 4744 B13R1.15 C[C@H](CF)NCc1cccc(c1)Br 207a_100102880703_100000210085 [0,1,0,0,0,1|2,0,0]=4 4745 B13R1.15 C[C@H](CF)NCc1cccc(c1)Br 270004a_100102880703_100000210085 [0,1,0,0,0,1|2,0,0]=4 4746 B13R1.15 C[C@H](CF)NCc1cccc(c1)Cl 207a_100102880703_100000210801 [0,1,0,0,0,1|2,0,0]=4 4747 B13R1.15 C[C@H](CF)NCc1cccc(c1)Cl 270004a_100102880703_100000210801 [0,1,0,0,0,1|2,0,0]=4 4748 B13R1.15 C[C@H](CF)NCc1cccc(c1)F 207a_100102880703_100000210812 [0,1,0,0,0,1|2,0,0]=4 4749 B13R1.15 C[C@H](CF)NCc1cccc(c1)F 270004a_100102880703_100000210812 [0,1,0,0,0,1|2,0,0]=4 4750 B13R1.15 C[C@H](CF)NCc1cccc(c1)I 207a_100102880703_100000014684 [0,1,0,0,0,1|2,0,0]=4 4751 B13R1.15 C[C@H](CF)NCc1cccc(c1)I 270004a_100102880703_100000014684 [0,1,0,0,0,1|2,0,0]=4 4752 B13R1.15 C[C@H](CF)NCc1cccc(c1)O 207a_100102880703_100000188321 [0,1,0,0,0,1|2,0,0]=4 4753 B13R1.15 C[C@H](CF)NCc1cccc(c1)O 270004a_100102880703_100000188321 [0,1,0,0,0,1|2,0,0]=4 4754 B13R1.15 C[C@H](CO)NCc1cc(ccn1)Br 2230a_100000737577_100010173614 [0,1,0,0,0,1|2,0,0]=4 4755 B13R1.15 C[C@H](CO)NCc1cc(ccn1)Br 270004a_100000737577_100009818557 [0,1,0,0,0,1|2,0,0]=4 4756 B13R1.15 C[C@H](CO)NCc1cc(ccn1)Cl 2230a_100000737577_100016988179 [0,1,0,0,0,1|2,0,0]=4 4757 B13R1.15 C[C@H](CO)NCc1cc(ccn1)Cl 270004a_100000737577_100011998288 [0,1,0,0,0,1|2,0,0]=4 4758 B13R1.15 C[C@H](CO)NCc1cccc(=O)[nH]1 207a_100000737577_100011935257 [0,1,0,0,0,1|2,0,0]=4 4759 B13R1.15 C[C@H](CO)NCc1cccc(c1)Br 207a_100000737577_100000210085 [0,1,0,0,0,1|1,0,0]=3 4760 B13R1.15 C[C@H](CO)NCc1cccc(c1)Br 2230a_100000737577_100000698116 [0,1,0,0,0,1|1,0,0]=3 4761 B13R1.15 C[C@H](CO)NCc1cccc(c1)Br 270004a_100000737577_100000210085 [0,1,0,0,0,1|1,0,0]=3 4762 B13R1.15 C[C@H](CO)NCc1cccc(c1)Cl 207a_100000737577_100000210801 [0,1,0,0,0,1|1,0,0]=3 4763 B13R1.15 C[C@H](CO)NCc1cccc(c1)Cl 2230a_100000737577_100000181238 [0,1,0,0,0,1|1,0,0]=3 4764 B13R1.15 C[C@H](CO)NCc1cccc(c1)Cl 270004a_100000737577_100000210801 [0,1,0,0,0,1|1,0,0]=3 4765 B13R1.15 C[C@H](CO)NCc1cccc(c1)F 207a_100000737577_100000210812 [0,1,0,0,0,1|1,0,0]=3 4766 B13R1.15 C[C@H](CO)NCc1cccc(c1)F 2230a_100000737577_100000230114 [0,1,0,0,0,1|1,0,0]=3 4767 B13R1.15 C[C@H](CO)NCc1cccc(c1)F 270004a_100000737577_100000210812 [0,1,0,0,0,1|1,0,0]=3 4768 B13R1.15 C[C@H](CO)NCc1cccc(c1)I 207a_100000737577_100000014684 [0,1,0,0,0,1|1,0,0]=3 4769 B13R1.15 C[C@H](CO)NCc1cccc(c1)I 2230a_100000737577_100011218688 [0,1,0,0,0,1|1,0,0]=3 4770 B13R1.15 C[C@H](CO)NCc1cccc(c1)I 270004a_100000737577_100000014684 [0,1,0,0,0,1|1,0,0]=3 4771 B13R1.15 C[C@H](CO)NCc1cccc(c1)O 207a_100000737577_100000188321 [0,1,0,0,0,1|1,0,0]=3 4772 B13R1.15 C[C@H](CO)NCc1cccc(c1)O 2230a_100000737577_100011660834 [0,1,0,0,0,1|1,0,0]=3 4773 B13R1.15 C[C@H](CO)NCc1cccc(c1)O 270004a_100000737577_100000188321 [0,1,0,0,0,1|1,0,0]=3 4774 B13R1.15 C[C@H](CO)NCc1cccc(n1)Br 2230a_100000737577_100009889011 [0,1,0,0,0,1|2,0,0]=4 4775 B13R1.15 C[C@H](CO)NCc1cccc(n1)Br 270004a_100000737577_100000688028 [0,1,0,0,0,1|2,0,0]=4 4776 B13R1.15 C[C@H](CO)NCc1cccc(n1)Cl 2230a_100000737577_100000086093 [0,1,0,0,0,1|2,0,0]=4 4777 B13R1.15 C[C@H](CO)NCc1cccc(n1)Cl 270004a_100000737577_100011361687 [0,1,0,0,0,1|2,0,0]=4 4778 B13R1.15 C[C@H](CO)NCc1cccc(n1)F 2230a_100000737577_100009819644 [0,1,0,0,0,1|2,0,0]=4 4779 B13R1.15 C[C@H](CO)NCc1cccc(n1)F 270004a_100000737577_100000050434 [0,1,0,0,0,1|2,0,0]=4 4780 B13R1.15 C[C@H](CO)NCc1ccnc(c1)Br 2230a_100000737577_100010243470 [0,1,0,0,0,1|2,0,0]=4 4781 B13R1.15 C[C@H](CO)NCc1ccnc(c1)Br 270004a_100000737577_100009814634 [0,1,0,0,0,1|2,0,0]=4 4782 B13R1.15 C[C@H](CO)NCc1ccnc(c1)Cl 2230a_100000737577_100000764220 [0,1,0,0,0,1|2,0,0]=4 4783 B13R1.15 C[C@H](CO)NCc1ccnc(c1)Cl 270004a_100000737577_100011290808 [0,1,0,0,0,1|2,0,0]=4 4784 B13R1.15 C[C@H](CO)NCc1ccnc(c1)F 270004a_100000737577_100000068331 [0,1,0,0,0,1|2,0,0]=4 4785 B13R1.15 C[C@H](CO)NCc1ccnc(c1)O 207a_100000737577_100000688113 [0,1,0,0,0,1|2,0,0]=4 4786 B13R1.15 C[C@H](CO)NCc1cncc(c1)Br 207a_100000737577_100000687066 [0,1,0,0,0,1|2,0,0]=4 4787 B13R1.15 C[C@H](CO)NCc1cncc(c1)Br 2230a_100000737577_100000738771 [0,1,0,0,0,1|2,0,0]=4 4788 B13R1.15 C[C@H](CO)NCc1cncc(c1)Br 270004a_100000737577_100000687066 [0,1,0,0,0,1|2,0,0]=4 4789 B13R1.15 C[C@H](CO)NCc1cncc(c1)Cl 207a_100000737577_100000088910 [0,1,0,0,0,1|2,0,0]=4 4790 B13R1.15 C[C@H](CO)NCc1cncc(c1)Cl 2230a_100000737577_100016992070 [0,1,0,0,0,1|2,0,0]=4 4791 B13R1.15 C[C@H](CO)NCc1cncc(c1)Cl 270004a_100000737577_100000088910 [0,1,0,0,0,1|2,0,0]=4 4792 B13R1.15 C[C@H](CO)NCc1cncc(c1)F 207a_100000737577_100011361476 [0,1,0,0,0,1|2,0,0]=4 4793 B13R1.15 C[C@H](CO)NCc1cncc(c1)F 2230a_100000737577_100000725299 [0,1,0,0,0,1|2,0,0]=4 4794 B13R1.15 C[C@H](CO)NCc1cncc(c1)F 270004a_100000737577_100011361476 [0,1,0,0,0,1|2,0,0]=4 4795 B13R1.15 C[C@H](CO)NCc1cncc(c1)O 207a_100000737577_100012187055 [0,1,0,0,0,1|2,0,0]=4 4796 B13R1.15 C[C@H](CO)NCc1cncc(c1)O 270004a_100000737577_100012187055 [0,1,0,0,0,1|2,0,0]=4 4797 B13R1.15 C[C@H](CO)SCc1cc(ccn1)Br 62a_100010173614_100016084084 [0,1,0,0,0,1|2,0,0]=4 4798 B13R1.15 C[C@H](CO)SCc1cc(ccn1)Br 62a_100016084084_100010173614 [0,1,0,0,0,1|2,0,0]=4 4799 B13R1.15 C[C@H](CO)SCc1cc(ccn1)Cl 62a_100016084084_100016988179 [0,1,0,0,0,1|2,0,0]=4 4800 B13R1.15 C[C@H](CO)SCc1cc(ccn1)Cl 62a_100016988179_100016084084 [0,1,0,0,0,1|2,0,0]=4 4801 B13R1.15 C[C@H](CO)SCc1cccc(c1)Br 62a_100000211773_100016084084 [0,1,0,0,0,1|1,0,0]=3 4802 B13R1.15 C[C@H](CO)SCc1cccc(c1)Br 62a_100016084084_100000211773 [0,1,0,0,0,1|1,0,0]=3 4803 B13R1.15 C[C@H](CO)SCc1cccc(c1)Cl 62a_100000187163_100016084084 [0,1,0,0,0,1|1,0,0]=3 4804 B13R1.15 C[C@H](CO)SCc1cccc(c1)Cl 62a_100016084084_100000187163 [0,1,0,0,0,1|1,0,0]=3 4805 B13R1.15 C[C@H](CO)SCc1cccc(c1)F 62a_100000230114_100016084084 [0,1,0,0,0,1|1,0,0]=3 4806 B13R1.15 C[C@H](CO)SCc1cccc(c1)F 62a_100016084084_100000230114 [0,1,0,0,0,1|1,0,0]=3 4807 B13R1.15 C[C@H](CO)SCc1cccc(c1)I 62a_100011218688_100016084084 [0,1,0,0,0,1|1,0,0]=3 4808 B13R1.15 C[C@H](CO)SCc1cccc(c1)I 62a_100016084084_100011218688 [0,1,0,0,0,1|1,0,0]=3 4809 B13R1.15 C[C@H](CO)SCc1cccc(c1)O 62a_100011660834_100016084084 [0,1,0,0,0,1|1,0,0]=3 4810 B13R1.15 C[C@H](CO)SCc1cccc(c1)O 62a_100016084084_100011660834 [0,1,0,0,0,1|1,0,0]=3 4811 B13R1.15 C[C@H](CO)SCc1cccc(n1)Br 62a_100009889011_100016084084 [0,1,0,0,0,1|2,0,0]=4 4812 B13R1.15 C[C@H](CO)SCc1cccc(n1)Br 62a_100016084084_100009889011 [0,1,0,0,0,1|2,0,0]=4 4813 B13R1.15 C[C@H](CO)SCc1cccc(n1)Cl 62a_100000086093_100016084084 [0,1,0,0,0,1|2,0,0]=4 4814 B13R1.15 C[C@H](CO)SCc1cccc(n1)Cl 62a_100016084084_100000086093 [0,1,0,0,0,1|2,0,0]=4 4815 B13R1.15 C[C@H](CO)SCc1cccc(n1)F 62a_100009819644_100016084084 [0,1,0,0,0,1|2,0,0]=4 4816 B13R1.15 C[C@H](CO)SCc1cccc(n1)F 62a_100016084084_100009819644 [0,1,0,0,0,1|2,0,0]=4 4817 B13R1.15 C[C@H](CO)SCc1ccnc(c1)Br 62a_100010254460_100016084084 [0,1,0,0,0,1|2,0,0]=4 4818 B13R1.15 C[C@H](CO)SCc1ccnc(c1)Br 62a_100016084084_100010243470 [0,1,0,0,0,1|2,0,0]=4 4819 B13R1.15 C[C@H](CO)SCc1ccnc(c1)Cl 62a_100000764220_100016084084 [0,1,0,0,0,1|2,0,0]=4 4820 B13R1.15 C[C@H](CO)SCc1ccnc(c1)Cl 62a_100016084084_100000764220 [0,1,0,0,0,1|2,0,0]=4 4821 B13R1.15 C[C@H](CO)SCc1cncc(c1)Br 62a_100000738771_100016084084 [0,1,0,0,0,1|2,0,0]=4 4822 B13R1.15 C[C@H](CO)SCc1cncc(c1)Br 62a_100016084084_100000738771 [0,1,0,0,0,1|2,0,0]=4 4823 B13R1.15 C[C@H](CO)SCc1cncc(c1)Cl 62a_100016084084_100016992070 [0,1,0,0,0,1|2,0,0]=4 4824 B13R1.15 C[C@H](CO)SCc1cncc(c1)Cl 62a_100016992070_100016084084 [0,1,0,0,0,1|2,0,0]=4 4825 B13R1.15 C[C@H](CO)SCc1cncc(c1)F 62a_100000725299_100016084084 [0,1,0,0,0,1|2,0,0]=4 4826 B13R1.15 C[C@H](CO)SCc1cncc(c1)F 62a_100016084084_100000725299 [0,1,0,0,0,1|2,0,0]=4 4827 B13R1.15 C[n+]1cccc(c1)SCC(O)CO 62a_100009996589_100011219619 [0,1,0,0,0,1|2,0,0]=4 4828 B13R1.15 C[n+]1cccc(c1)SCC(O)CO 62a_100011219619_100009996589 [0,1,0,0,0,1|2,0,0]=4 4829 B13R1.15 C[n+]1cccc(c1)SC[C@@H](O)CO 62a_100009815848_100009996589 [0,1,0,0,0,1|2,0,0]=4 4830 B13R1.15 C[n+]1cccc(c1)SC[C@@H](O)CO 62a_100009996589_100009815848 [0,1,0,0,0,1|2,0,0]=4 4831 B13R1.15 Cc1cc(ccn1)CNC(C)CO 34a_100011934566_100012180447 [0,1,0,0,0,1|2,0,0]=4 4832 B13R1.15 Cc1cc(ccn1)CN[C@H](C)CO 207a_100000737577_100011361630 [0,1,0,0,0,1|2,0,0]=4 4833 B13R1.15 Cc1cc(ccn1)CN[C@H](C)CO 2230a_100000737577_200020672517 [0,1,0,0,0,1|2,0,0]=4 4834 B13R1.15 Cc1cc(ccn1)CN[C@H](C)CO 270004a_100000737577_100011361630 [0,1,0,0,0,1|2,0,0]=4 4835 B13R1.15 Cc1cc(ccn1)COC(C)CO 34a_100011998630_100012180447 [0,1,0,0,0,1|2,0,0]=4 4836 B13R1.15 Cc1cc(ccn1)CSC(C)CO 62a_100012180447_200020672517 [0,1,0,0,0,1|2,0,0]=4 4837 B13R1.15 Cc1cc(ccn1)CS[C@H](C)CO 62a_100016084084_200020672517 [0,1,0,0,0,1|2,0,0]=4 4838 B13R1.15 Cc1cc(ccn1)CS[C@H](C)CO 62a_200020672517_100016084084 [0,1,0,0,0,1|2,0,0]=4 4839 B13R1.15 Cc1cc(ccn1)NCC(C)CO 27a_100000744482_100000758586 [0,1,0,0,0,1|2,0,0]=4 4840 B13R1.15 Cc1cc(ccn1)NC[C@@H](F)CO 27a_100015665980_100000758586 [0,1,0,0,0,1|2,0,0]=4 4841 B13R1.15 Cc1cc(ccn1)NC[C@H](O)CO 27a_100020644852_100000758586 [0,1,0,0,0,1|2,0,0]=4 4842 B13R1.15 Cc1cc(ccn1)OCC(O)CO 34a_100000688365_100011219619 [0,1,0,0,0,1|2,0,0]=4 4843 B13R1.15 Cc1cc(ccn1)OC[C@@H](C)CO 34a_100000688365_100000059175 [0,1,0,0,0,1|2,0,0]=4 4844 B13R1.15 Cc1cc(ccn1)OC[C@@H](O)CO 34a_100000688365_100009815848 [0,1,0,0,0,1|2,0,0]=4 4845 B13R1.15 Cc1cc(ccn1)SCC(O)CO 62a_100000758586_100011219619 [0,1,0,0,0,1|2,0,0]=4 4846 B13R1.15 Cc1cc(ccn1)SCC(O)CO 62a_100011219619_100000758586 [0,1,0,0,0,1|2,0,0]=4 4847 B13R1.15 Cc1cc(ccn1)SC[C@@H](C)CO 62a_100000059175_100000758586 [0,1,0,0,0,1|2,0,0]=4 4848 B13R1.15 Cc1cc(ccn1)SC[C@@H](C)CO 62a_100000758586_100000059175 [0,1,0,0,0,1|2,0,0]=4 4849 B13R1.15 Cc1cc(ccn1)SC[C@@H](O)CO 62a_100000758586_100009815848 [0,1,0,0,0,1|2,0,0]=4 4850 B13R1.15 Cc1cc(ccn1)SC[C@@H](O)CO 62a_100009815848_100000758586 [0,1,0,0,0,1|2,0,0]=4 4851 B13R1.15 Cc1cccc(c1)CCC(=O)CO 1458a_100000210174_100011713685 [0,1,0,0,0,1|1,0,1]=4 4852 B13R1.15 Cc1cccc(c1)CNC(=O)CO 240690a_100000185548_100000210174 [0,1,0,0,0,1|1,0,1]=4 4853 B13R1.15 Cc1cccc(c1)CNC(=O)CO 527a_100000185548_100000210174 [0,1,0,0,0,1|1,0,1]=4 4854 B13R1.15 Cc1cccc(c1)CNC(C)CO 2230a_100000185548_100012180447 [0,1,0,0,0,1|1,0,0]=3 4855 B13R1.15 Cc1cccc(c1)CNC(C)CO 34a_100000185548_100012180447 [0,1,0,0,0,1|1,0,0]=3 4856 B13R1.15 Cc1cccc(c1)CN[C@H](C)CF 207a_100102880703_100000211157 [0,1,0,0,0,1|2,0,0]=4 4857 B13R1.15 Cc1cccc(c1)CN[C@H](C)CF 270004a_100102880703_100000211157 [0,1,0,0,0,1|2,0,0]=4 4858 B13R1.15 Cc1cccc(c1)CN[C@H](C)CO 207a_100000737577_100000211157 [0,1,0,0,0,1|1,0,0]=3 4859 B13R1.15 Cc1cccc(c1)CN[C@H](C)CO 2230a_100000737577_100000211840 [0,1,0,0,0,1|1,0,0]=3 4860 B13R1.15 Cc1cccc(c1)CN[C@H](C)CO 270004a_100000737577_100000211157 [0,1,0,0,0,1|1,0,0]=3 4861 B13R1.15 Cc1cccc(c1)COC(C)CF 34a_100016041109_100000211840 [0,1,0,0,0,1|2,0,0]=4 4862 B13R1.15 Cc1cccc(c1)COC(C)CF 7a_100016041109_100000211840 [0,1,0,0,0,1|2,0,0]=4 4863 B13R1.15 Cc1cccc(c1)COC(C)CN 34a_100000210904_100000211840 [0,1,0,0,0,1|2,0,0]=4 4864 B13R1.15 Cc1cccc(c1)COC(C)CO 34a_100011217746_100012180447 [0,1,0,0,0,1|1,0,0]=3 4865 B13R1.15 Cc1cccc(c1)COC(C)CO 7a_100011217746_100012180447 [0,1,0,0,0,1|1,0,0]=3 4866 B13R1.15 Cc1cccc(c1)CSC(C)CO 62a_100012180447_100000211840 [0,1,0,0,0,1|1,0,0]=3 4867 B13R1.15 Cc1cccc(c1)CS[C@H](C)CO 62a_100000211840_100016084084 [0,1,0,0,0,1|1,0,0]=3 4868 B13R1.15 Cc1cccc(c1)CS[C@H](C)CO 62a_100016084084_100000211840 [0,1,0,0,0,1|1,0,0]=3 4869 B13R1.15 Cc1cccc(c1)NCC(O)CO 2230a_100000188690_100011219619 [0,1,0,0,0,1|1,0,0]=3 4870 B13R1.15 Cc1cccc(c1)NCC(O)CO 34a_100000188690_100011219619 [0,1,0,0,0,1|1,0,0]=3 4871 B13R1.15 Cc1cccc(c1)NC[C@@H](C)CO 2230a_100000188690_100000059175 [0,1,0,0,0,1|1,0,0]=3 4872 B13R1.15 Cc1cccc(c1)NC[C@@H](C)CO 34a_100000188690_100000059175 [0,1,0,0,0,1|1,0,0]=3 4873 B13R1.15 Cc1cccc(c1)NC[C@@H](O)CF 2230a_100000188690_100015614560 [0,1,0,0,0,1|2,0,0]=4 4874 B13R1.15 Cc1cccc(c1)NC[C@@H](O)CF 34a_100000188690_100015614560 [0,1,0,0,0,1|2,0,0]=4 4875 B13R1.15 Cc1cccc(c1)NC[C@@H](O)CO 2230a_100000188690_100009815848 [0,1,0,0,0,1|1,0,0]=3 4876 B13R1.15 Cc1cccc(c1)NC[C@@H](O)CO 34a_100000188690_100009815848 [0,1,0,0,0,1|1,0,0]=3 4877 B13R1.15 Cc1cccc(c1)OCC(O)CO 34a_100000210337_100011219619 [0,1,0,0,0,1|1,0,0]=3 4878 B13R1.15 Cc1cccc(c1)OCC(O)CO 7a_100000210337_100011219619 [0,1,0,0,0,1|1,0,0]=3 4879 B13R1.15 Cc1cccc(c1)OC[C@@H](C)CO 34a_100000210337_100000059175 [0,1,0,0,0,1|1,0,0]=3 4880 B13R1.15 Cc1cccc(c1)OC[C@@H](C)CO 7a_100000210337_100000059175 [0,1,0,0,0,1|1,0,0]=3 4881 B13R1.15 Cc1cccc(c1)OC[C@@H](O)CF 34a_100000210337_100015614560 [0,1,0,0,0,1|2,0,0]=4 4882 B13R1.15 Cc1cccc(c1)OC[C@@H](O)CF 7a_100000210337_100015614560 [0,1,0,0,0,1|2,0,0]=4 4883 B13R1.15 Cc1cccc(c1)OC[C@@H](O)CO 34a_100000210337_100009815848 [0,1,0,0,0,1|1,0,0]=3 4884 B13R1.15 Cc1cccc(c1)OC[C@@H](O)CO 7a_100000210337_100009815848 [0,1,0,0,0,1|1,0,0]=3 4885 B13R1.15 Cc1cccc(c1)SCC(O)CO 62a_100011215228_100011219619 [0,1,0,0,0,1|1,0,0]=3 4886 B13R1.15 Cc1cccc(c1)SCC(O)CO 62a_100011219619_100011215228 [0,1,0,0,0,1|1,0,0]=3 4887 B13R1.15 Cc1cccc(c1)SC[C@@H](C)CO 62a_100000059175_100011215228 [0,1,0,0,0,1|1,0,0]=3 4888 B13R1.15 Cc1cccc(c1)SC[C@@H](C)CO 62a_100011215228_100000059175 [0,1,0,0,0,1|1,0,0]=3 4889 B13R1.15 Cc1cccc(c1)SC[C@@H](O)CF 62a_100011215228_100015614560 [0,1,0,0,0,1|2,0,0]=4 4890 B13R1.15 Cc1cccc(c1)SC[C@@H](O)CF 62a_100015614560_100011215228 [0,1,0,0,0,1|2,0,0]=4 4891 B13R1.15 Cc1cccc(c1)SC[C@@H](O)CO 62a_100009815848_100011215228 [0,1,0,0,0,1|1,0,0]=3 4892 B13R1.15 Cc1cccc(c1)SC[C@@H](O)CO 62a_100011215228_100009815848 [0,1,0,0,0,1|1,0,0]=3 4893 B13R1.15 Cc1cccc(n1)CNC(C)CO 34a_100000701342_100012180447 [0,1,0,0,0,1|2,0,0]=4 4894 B13R1.15 Cc1cccc(n1)CN[C@H](C)CO 207a_100000737577_100011215050 [0,1,0,0,0,1|2,0,0]=4 4895 B13R1.15 Cc1cccc(n1)CN[C@H](C)CO 2230a_100000737577_100000757606 [0,1,0,0,0,1|2,0,0]=4 4896 B13R1.15 Cc1cccc(n1)CN[C@H](C)CO 270004a_100000737577_100011215050 [0,1,0,0,0,1|2,0,0]=4 4897 B13R1.15 Cc1cccc(n1)COC(C)CO 34a_100000690600_100012180447 [0,1,0,0,0,1|2,0,0]=4 4898 B13R1.15 Cc1cccc(n1)CSC(C)CO 62a_100012180447_100000757606 [0,1,0,0,0,1|2,0,0]=4 4899 B13R1.15 Cc1cccc(n1)CS[C@H](C)CO 62a_100000757606_100016084084 [0,1,0,0,0,1|2,0,0]=4 4900 B13R1.15 Cc1cccc(n1)CS[C@H](C)CO 62a_100016084084_100000757606 [0,1,0,0,0,1|2,0,0]=4 4901 B13R1.15 Cc1cccc(n1)SCC(O)CO 62a_100000742759_100011219619 [0,1,0,0,0,1|2,0,0]=4 4902 B13R1.15 Cc1cccc(n1)SCC(O)CO 62a_100011219619_100000742759 [0,1,0,0,0,1|2,0,0]=4 4903 B13R1.15 Cc1cccc(n1)SC[C@@H](C)CO 62a_100000059175_100000742759 [0,1,0,0,0,1|2,0,0]=4 4904 B13R1.15 Cc1cccc(n1)SC[C@@H](C)CO 62a_100000742759_100000059175 [0,1,0,0,0,1|2,0,0]=4 4905 B13R1.15 Cc1cccc(n1)SC[C@@H](O)CO 62a_100000742759_100009815848 [0,1,0,0,0,1|2,0,0]=4 4906 B13R1.15 Cc1cccc(n1)SC[C@@H](O)CO 62a_100009815848_100000742759 [0,1,0,0,0,1|2,0,0]=4 4907 B13R1.15 Cc1ccnc(c1)CN[C@H](C)CO 207a_100000737577_100011361488 [0,1,0,0,0,1|2,0,0]=4 4908 B13R1.15 Cc1ccnc(c1)CN[C@H](C)CO 2230a_100000737577_100000718516 [0,1,0,0,0,1|2,0,0]=4 4909 B13R1.15 Cc1ccnc(c1)CN[C@H](C)CO 270004a_100000737577_100011361488 [0,1,0,0,0,1|2,0,0]=4 4910 B13R1.15 Cc1ccnc(c1)COC(C)CO 34a_100011998357_100012180447 [0,1,0,0,0,1|2,0,0]=4 4911 B13R1.15 Cc1ccnc(c1)CSC(C)CO 62a_100012180447_100000718516 [0,1,0,0,0,1|2,0,0]=4 4912 B13R1.15 Cc1ccnc(c1)CS[C@H](C)CO 62a_100000718516_100016084084 [0,1,0,0,0,1|2,0,0]=4 4913 B13R1.15 Cc1ccnc(c1)CS[C@H](C)CO 62a_100016084084_100000718516 [0,1,0,0,0,1|2,0,0]=4 4914 B13R1.15 Cc1ccnc(c1)SCC(O)CO 62a_100000750283_100011219619 [0,1,0,0,0,1|2,0,0]=4 4915 B13R1.15 Cc1ccnc(c1)SCC(O)CO 62a_100011219619_100000750283 [0,1,0,0,0,1|2,0,0]=4 4916 B13R1.15 Cc1ccnc(c1)SC[C@@H](C)CO 62a_100000059175_100000750283 [0,1,0,0,0,1|2,0,0]=4 4917 B13R1.15 Cc1ccnc(c1)SC[C@@H](C)CO 62a_100000750283_100000059175 [0,1,0,0,0,1|2,0,0]=4 4918 B13R1.15 Cc1ccnc(c1)SC[C@@H](O)CO 62a_100000750283_100009815848 [0,1,0,0,0,1|2,0,0]=4 4919 B13R1.15 Cc1ccnc(c1)SC[C@@H](O)CO 62a_100009815848_100000750283 [0,1,0,0,0,1|2,0,0]=4 4920 B13R1.15 Cc1cncc(c1)CNC(C)CO 2230a_100000692839_100012180447 [0,1,0,0,0,1|2,0,0]=4 4921 B13R1.15 Cc1cncc(c1)CNC(C)CO 34a_100000692839_100012180447 [0,1,0,0,0,1|2,0,0]=4 4922 B13R1.15 Cc1cncc(c1)CN[C@H](C)CO 207a_100000737577_100011998712 [0,1,0,0,0,1|2,0,0]=4 4923 B13R1.15 Cc1cncc(c1)CN[C@H](C)CO 2230a_100000737577_100000716715 [0,1,0,0,0,1|2,0,0]=4 4924 B13R1.15 Cc1cncc(c1)CN[C@H](C)CO 270004a_100000737577_100011998712 [0,1,0,0,0,1|2,0,0]=4 4925 B13R1.15 Cc1cncc(c1)COC(C)CO 34a_100011998709_100012180447 [0,1,0,0,0,1|2,0,0]=4 4926 B13R1.15 Cc1cncc(c1)COC(C)CO 7a_100011998709_100012180447 [0,1,0,0,0,1|2,0,0]=4 4927 B13R1.15 Cc1cncc(c1)CSC(C)CO 62a_100012180447_100000716715 [0,1,0,0,0,1|2,0,0]=4 4928 B13R1.15 Cc1cncc(c1)CS[C@H](C)CO 62a_100000716715_100016084084 [0,1,0,0,0,1|2,0,0]=4 4929 B13R1.15 Cc1cncc(c1)CS[C@H](C)CO 62a_100016084084_100000716715 [0,1,0,0,0,1|2,0,0]=4 4930 B13R1.15 Cc1cncc(c1)OCC(O)CO 34a_100011830280_100011219619 [0,1,0,0,0,1|2,0,0]=4 4931 B13R1.15 Cc1cncc(c1)OCC(O)CO 7a_100011830280_100011219619 [0,1,0,0,0,1|2,0,0]=4 4932 B13R1.15 Cc1cncc(c1)OC[C@@H](C)CO 34a_100011830280_100000059175 [0,1,0,0,0,1|2,0,0]=4 4933 B13R1.15 Cc1cncc(c1)OC[C@@H](C)CO 7a_100011830280_100000059175 [0,1,0,0,0,1|2,0,0]=4 4934 B13R1.15 Cc1cncc(c1)OC[C@@H](O)CO 34a_100011830280_100009815848 [0,1,0,0,0,1|2,0,0]=4 4935 B13R1.15 Cc1cncc(c1)OC[C@@H](O)CO 7a_100011830280_100009815848 [0,1,0,0,0,1|2,0,0]=4 4936 B13R1.15 Cc1cncc(c1)SCC(O)CO 62a_100000760492_100011219619 [0,1,0,0,0,1|2,0,0]=4 4937 B13R1.15 Cc1cncc(c1)SCC(O)CO 62a_100011219619_100000760492 [0,1,0,0,0,1|2,0,0]=4 4938 B13R1.15 Cc1cncc(c1)SC[C@@H](C)CO 62a_100000059175_100000760492 [0,1,0,0,0,1|2,0,0]=4 4939 B13R1.15 Cc1cncc(c1)SC[C@@H](C)CO 62a_100000760492_100000059175 [0,1,0,0,0,1|2,0,0]=4 4940 B13R1.15 Cc1cncc(c1)SC[C@@H](O)CO 62a_100000760492_100009815848 [0,1,0,0,0,1|2,0,0]=4 4941 B13R1.15 Cc1cncc(c1)SC[C@@H](O)CO 62a_100009815848_100000760492 [0,1,0,0,0,1|2,0,0]=4 4942 B13R1.15 Nc1cc(ccn1)OCC(O)CO 34a_100011834064_100011219619 [0,1,0,0,0,1|2,0,0]=4 4943 B13R1.15 Nc1cc(ccn1)OC[C@@H](O)CO 34a_100011834064_100009815848 [0,1,0,0,0,1|2,0,0]=4 4944 B13R1.15 Nc1cc(ccn1)SCC(O)CO 62a_100000049665_100011219619 [0,1,0,0,0,1|2,0,0]=4 4945 B13R1.15 Nc1cc(ccn1)SCC(O)CO 62a_100011219619_100000049665 [0,1,0,0,0,1|2,0,0]=4 4946 B13R1.15 Nc1cc(ccn1)SC[C@@H](O)CO 62a_100000049665_100009815848 [0,1,0,0,0,1|2,0,0]=4 4947 B13R1.15 Nc1cc(ccn1)SC[C@@H](O)CO 62a_100009815848_100000049665 [0,1,0,0,0,1|2,0,0]=4 4948 B13R1.15 Nc1cccc(c1)OCC(O)CO 34a_100000210217_100011219619 [0,1,0,0,0,1|1,0,0]=3 4949 B13R1.15 Nc1cccc(c1)OC[C@@H](O)CF 34a_100000210217_100015614560 [0,1,0,0,0,1|2,0,0]=4 4950 B13R1.15 Nc1cccc(c1)OC[C@@H](O)CO 34a_100000210217_100009815848 [0,1,0,0,0,1|1,0,0]=3 4951 B13R1.15 Nc1cccc(c1)SCC(O)CO 62a_100000210019_100011219619 [0,1,0,0,0,1|1,0,0]=3 4952 B13R1.15 Nc1cccc(c1)SCC(O)CO 62a_100011219619_100000210019 [0,1,0,0,0,1|1,0,0]=3 4953 B13R1.15 Nc1cccc(c1)SC[C@@H](O)CF 62a_100000210019_100015614560 [0,1,0,0,0,1|2,0,0]=4 4954 B13R1.15 Nc1cccc(c1)SC[C@@H](O)CF 62a_100015614560_100000210019 [0,1,0,0,0,1|2,0,0]=4 4955 B13R1.15 Nc1cccc(c1)SC[C@@H](O)CO 62a_100000210019_100009815848 [0,1,0,0,0,1|1,0,0]=3 4956 B13R1.15 Nc1cccc(c1)SC[C@@H](O)CO 62a_100009815848_100000210019 [0,1,0,0,0,1|1,0,0]=3 4957 B13R1.15 Nc1cccc(n1)SCC(O)CO 62a_100000740741_100011219619 [0,1,0,0,0,1|2,0,0]=4 4958 B13R1.15 Nc1cccc(n1)SCC(O)CO 62a_100011219619_100000740741 [0,1,0,0,0,1|2,0,0]=4 4959 B13R1.15 Nc1cccc(n1)SC[C@@H](O)CO 62a_100000740741_100009815848 [0,1,0,0,0,1|2,0,0]=4 4960 B13R1.15 Nc1cccc(n1)SC[C@@H](O)CO 62a_100009815848_100000740741 [0,1,0,0,0,1|2,0,0]=4 4961 B13R1.15 Nc1ccnc(c1)SCC(O)CO 62a_100009814236_100011219619 [0,1,0,0,0,1|2,0,0]=4 4962 B13R1.15 Nc1ccnc(c1)SCC(O)CO 62a_100011219619_100009814236 [0,1,0,0,0,1|2,0,0]=4 4963 B13R1.15 Nc1ccnc(c1)SC[C@@H](O)CO 62a_100009814236_100009815848 [0,1,0,0,0,1|2,0,0]=4 4964 B13R1.15 Nc1ccnc(c1)SC[C@@H](O)CO 62a_100009815848_100009814236 [0,1,0,0,0,1|2,0,0]=4 4965 B13R1.15 Nc1cncc(c1)OCC(O)CO 34a_100011997051_100011219619 [0,1,0,0,0,1|2,0,0]=4 4966 B13R1.15 Nc1cncc(c1)OC[C@@H](O)CO 34a_100011997051_100009815848 [0,1,0,0,0,1|2,0,0]=4 4967 B13R1.15 Nc1cncc(c1)SCC(O)CO 62a_100000687067_100011219619 [0,1,0,0,0,1|2,0,0]=4 4968 B13R1.15 Nc1cncc(c1)SCC(O)CO 62a_100011219619_100000687067 [0,1,0,0,0,1|2,0,0]=4 4969 B13R1.15 Nc1cncc(c1)SC[C@@H](O)CO 62a_100000687067_100009815848 [0,1,0,0,0,1|2,0,0]=4 4970 B13R1.15 Nc1cncc(c1)SC[C@@H](O)CO 62a_100009815848_100000687067 [0,1,0,0,0,1|2,0,0]=4 4971 B13R1.15 O=C(CO)CCc1cccc(c1)Br 1458a_100000210174_100011740638 [0,1,0,0,0,1|1,0,1]=4 4972 B13R1.15 O=C(CO)CCc1cccc(c1)Cl 1458a_100000210174_100011713710 [0,1,0,0,0,1|1,0,1]=4 4973 B13R1.15 O=C(CO)CCc1cccc(c1)F 1458a_100000210174_100011217235 [0,1,0,0,0,1|1,0,1]=4 4974 B13R1.15 O=C(CO)NCc1cccc(c1)Br 240690a_100000174977_100000210174 [0,1,0,0,0,1|1,0,1]=4 4975 B13R1.15 O=C(CO)NCc1cccc(c1)Br 527a_100000174977_100000210174 [0,1,0,0,0,1|1,0,1]=4 4976 B13R1.15 O=C(CO)NCc1cccc(c1)Cl 240690a_100000174878_100000210174 [0,1,0,0,0,1|1,0,1]=4 4977 B13R1.15 O=C(CO)NCc1cccc(c1)Cl 527a_100000174878_100000210174 [0,1,0,0,0,1|1,0,1]=4 4978 B13R1.15 O=C(CO)NCc1cccc(c1)F 240690a_100000174948_100000210174 [0,1,0,0,0,1|1,0,1]=4 4979 B13R1.15 O=C(CO)NCc1cccc(c1)F 527a_100000174948_100000210174 [0,1,0,0,0,1|1,0,1]=4 4980 B13R1.15 O=C(CO)NCc1cccc(c1)I 240690a_100000106179_100000210174 [0,1,0,0,0,1|1,0,1]=4 4981 B13R1.15 O=C(CO)NCc1cccc(c1)I 527a_100000106179_100000210174 [0,1,0,0,0,1|1,0,1]=4 4982 B13R1.15 O=C(CO)NCc1cccc(c1)O 240690a_100000743036_100000210174 [0,1,0,0,0,1|1,0,1]=4 4983 B13R1.15 O=C(CO)NCc1cccc(c1)O 527a_100000743036_100000210174 [0,1,0,0,0,1|1,0,1]=4 4984 B13R1.15 O=c1cc(cc[nH]1)NC[C@@H](F)CO 27a_100015665980_100000061649 [0,1,0,0,0,1|2,0,0]=4 4985 B13R1.15 O=c1cc(cc[nH]1)NC[C@H](O)CO 27a_100020644852_100000061649 [0,1,0,0,0,1|2,0,0]=4 4986 B13R1.15 O=c1cc(cc[nH]1)OCC(O)CO 34a_100000032262_100011219619 [0,1,0,0,0,1|2,0,0]=4 4987 B13R1.15 O=c1cc(cc[nH]1)OC[C@@H](O)CO 34a_100000032262_100009815848 [0,1,0,0,0,1|2,0,0]=4 4988 B13R1.15 O=c1cc(cc[nH]1)SCC(O)CO 62a_100009816521_100011219619 [0,1,0,0,0,1|2,0,0]=4 4989 B13R1.15 O=c1cc(cc[nH]1)SCC(O)CO 62a_100011219619_100009816521 [0,1,0,0,0,1|2,0,0]=4 4990 B13R1.15 O=c1cc(cc[nH]1)SC[C@@H](O)CO 62a_100009815848_100009816521 [0,1,0,0,0,1|2,0,0]=4 4991 B13R1.15 O=c1cc(cc[nH]1)SC[C@@H](O)CO 62a_100009816521_100009815848 [0,1,0,0,0,1|2,0,0]=4 4992 B13R1.15 O=c1cc[nH]c(c1)SCC(O)CO 62a_100009817434_100011219619 [0,1,0,0,0,1|2,0,0]=4 4993 B13R1.15 O=c1cc[nH]c(c1)SC[C@@H](O)CO 62a_100009817434_100009815848 [0,1,0,0,0,1|2,0,0]=4 4994 B13R1.15 O=c1cccc([nH]1)OCC(O)CO 34a_100000033347_100011219619 [0,1,0,0,0,1|2,0,0]=4 4995 B13R1.15 O=c1cccc([nH]1)OC[C@@H](O)CO 34a_100000033347_100009815848 [0,1,0,0,0,1|2,0,0]=4 4996 B13R1.15 O=c1cccc([nH]1)SCC(O)CO 62a_100011219619_100000752884 [0,1,0,0,0,1|2,0,0]=4 4997 B13R1.15 O=c1cccc([nH]1)SC[C@@H](O)CO 62a_100009815848_100000752884 [0,1,0,0,0,1|2,0,0]=4 4998 B13R1.15 OCC(O)CNc1cccc(c1)Br 34a_100000210019_100011219619 [0,1,0,0,0,1|1,0,0]=3 4999 B13R1.15 OCC(O)CNc1cccc(c1)Cl 34a_100000185859_100011219619 [0,1,0,0,0,1|1,0,0]=3 5000 B13R1.15 OCC(O)CNc1cccc(c1)F 34a_100000210047_100011219619 [0,1,0,0,0,1|1,0,0]=3 5001 B13R1.15 OCC(O)CNc1cccc(c1)I 34a_100000211102_100011219619 [0,1,0,0,0,1|1,0,0]=3 5002 B13R1.15 OCC(O)CNc1cccc(c1)O 34a_100000210217_100011219619 [0,1,0,0,0,1|1,0,0]=3 5003 B13R1.15 OCC(O)COc1cccc(c1)Br 34a_100000210342_100011219619 [0,1,0,0,0,1|1,0,0]=3 5004 B13R1.15 OCC(O)COc1cccc(c1)Br 7a_100000210342_100011219619 [0,1,0,0,0,1|1,0,0]=3 5005 B13R1.15 OCC(O)COc1cccc(c1)Cl 34a_100000210295_100011219619 [0,1,0,0,0,1|1,0,0]=3 5006 B13R1.15 OCC(O)COc1cccc(c1)Cl 7a_100000210295_100011219619 [0,1,0,0,0,1|1,0,0]=3 5007 B13R1.15 OCC(O)COc1cccc(c1)F 34a_100000210426_100011219619 [0,1,0,0,0,1|1,0,0]=3 5008 B13R1.15 OCC(O)COc1cccc(c1)F 7a_100000210426_100011219619 [0,1,0,0,0,1|1,0,0]=3 5009 B13R1.15 OCC(O)COc1cccc(c1)I 34a_100000211634_100011219619 [0,1,0,0,0,1|1,0,0]=3 5010 B13R1.15 OCC(O)COc1cccc(c1)I 7a_100000211634_100011219619 [0,1,0,0,0,1|1,0,0]=3 5011 B13R1.15 OCC(O)COc1cccc(n1)F 34a_100011432558_100011219619 [0,1,0,0,0,1|2,0,0]=4 5012 B13R1.15 OCC(O)COc1ccnc(c1)Cl 34a_100000762945_100011219619 [0,1,0,0,0,1|2,0,0]=4 5013 B13R1.15 OCC(O)COc1ccnc(c1)F 34a_100000732698_100011219619 [0,1,0,0,0,1|2,0,0]=4 5014 B13R1.15 OCC(O)COc1cncc(c1)Br 34a_100000754920_100011219619 [0,1,0,0,0,1|2,0,0]=4 5015 B13R1.15 OCC(O)COc1cncc(c1)Br 7a_100000754920_100011219619 [0,1,0,0,0,1|2,0,0]=4 5016 B13R1.15 OCC(O)COc1cncc(c1)Cl 7a_100000032511_100011219619 [0,1,0,0,0,1|2,0,0]=4 5017 B13R1.15 OCC(O)COc1cncc(c1)F 34a_100011830296_100011219619 [0,1,0,0,0,1|2,0,0]=4 5018 B13R1.15 OCC(O)COc1cncc(c1)F 7a_100011830296_100011219619 [0,1,0,0,0,1|2,0,0]=4 5019 B13R1.15 OCC(O)CSc1cc(ccn1)Cl 62a_100010167805_100011219619 [0,1,0,0,0,1|2,0,0]=4 5020 B13R1.15 OCC(O)CSc1cc(ccn1)Cl 62a_100011219619_100010167805 [0,1,0,0,0,1|2,0,0]=4 5021 B13R1.15 OCC(O)CSc1cc(ccn1)F 62a_100000764206_100011219619 [0,1,0,0,0,1|2,0,0]=4 5022 B13R1.15 OCC(O)CSc1cc(ccn1)F 62a_100011219619_100000764206 [0,1,0,0,0,1|2,0,0]=4 5023 B13R1.15 OCC(O)CSc1cc(ccn1)O 62a_100011219619_100000762945 [0,1,0,0,0,1|2,0,0]=4 5024 B13R1.15 OCC(O)CSc1cccc(c1)Br 62a_100000691529_100011219619 [0,1,0,0,0,1|1,0,0]=3 5025 B13R1.15 OCC(O)CSc1cccc(c1)Br 62a_100011219619_100000691529 [0,1,0,0,0,1|1,0,0]=3 5026 B13R1.15 OCC(O)CSc1cccc(c1)Cl 62a_100000699651_100011219619 [0,1,0,0,0,1|1,0,0]=3 5027 B13R1.15 OCC(O)CSc1cccc(c1)Cl 62a_100011219619_100000699651 [0,1,0,0,0,1|1,0,0]=3 5028 B13R1.15 OCC(O)CSc1cccc(c1)F 62a_100000685547_100011219619 [0,1,0,0,0,1|1,0,0]=3 5029 B13R1.15 OCC(O)CSc1cccc(c1)F 62a_100011219619_100000685547 [0,1,0,0,0,1|1,0,0]=3 5030 B13R1.15 OCC(O)CSc1cccc(c1)O 62a_100011219619_100000211634 [0,1,0,0,0,1|1,0,0]=3 5031 B13R1.15 OCC(O)CSc1cccc(c1)[S] 62a_100011219619_114929384022 [0,1,0,0,0,1|1,0,0]=3 5032 B13R1.15 OCC(O)CSc1cccc(c1)[S] 62a_114929384022_100011219619 [0,1,0,0,0,1|1,0,0]=3 5033 B13R1.15 OCC(O)CSc1cccc(n1)Br 62a_100000684672_100011219619 [0,1,0,0,0,1|2,0,0]=4 5034 B13R1.15 OCC(O)CSc1cccc(n1)Br 62a_100011219619_100000684672 [0,1,0,0,0,1|2,0,0]=4 5035 B13R1.15 OCC(O)CSc1cccc(n1)Cl 62a_100000051397_100011219619 [0,1,0,0,0,1|2,0,0]=4 5036 B13R1.15 OCC(O)CSc1cccc(n1)Cl 62a_100011219619_100000051397 [0,1,0,0,0,1|2,0,0]=4 5037 B13R1.15 OCC(O)CSc1cccc(n1)F 62a_100009815982_100011219619 [0,1,0,0,0,1|2,0,0]=4 5038 B13R1.15 OCC(O)CSc1cccc(n1)F 62a_100011219619_100009815982 [0,1,0,0,0,1|2,0,0]=4 5039 B13R1.15 OCC(O)CSc1ccnc(c1)Br 62a_100009814637_100011219619 [0,1,0,0,0,1|2,0,0]=4 5040 B13R1.15 OCC(O)CSc1ccnc(c1)Br 62a_100011219619_100009814637 [0,1,0,0,0,1|2,0,0]=4 5041 B13R1.15 OCC(O)CSc1ccnc(c1)Cl 62a_100000035001_100011219619 [0,1,0,0,0,1|2,0,0]=4 5042 B13R1.15 OCC(O)CSc1ccnc(c1)Cl 62a_100011219619_100000035001 [0,1,0,0,0,1|2,0,0]=4 5043 B13R1.15 OCC(O)CSc1ccnc(c1)F 62a_100009816116_100011219619 [0,1,0,0,0,1|2,0,0]=4 5044 B13R1.15 OCC(O)CSc1ccnc(c1)F 62a_100011219619_100009816116 [0,1,0,0,0,1|2,0,0]=4 5045 B13R1.15 OCC(O)CSc1cncc(c1)Br 62a_100000728054_100011219619 [0,1,0,0,0,1|2,0,0]=4 5046 B13R1.15 OCC(O)CSc1cncc(c1)Br 62a_100011219619_100000728054 [0,1,0,0,0,1|2,0,0]=4 5047 B13R1.15 OCC(O)CSc1cncc(c1)Cl 62a_100000049639_100011219619 [0,1,0,0,0,1|2,0,0]=4 5048 B13R1.15 OCC(O)CSc1cncc(c1)Cl 62a_100011219619_100000049639 [0,1,0,0,0,1|2,0,0]=4 5049 B13R1.15 OCC(O)CSc1cncc(c1)F 62a_100000744099_100011219619 [0,1,0,0,0,1|2,0,0]=4 5050 B13R1.15 OCC(O)CSc1cncc(c1)F 62a_100011219619_100000744099 [0,1,0,0,0,1|2,0,0]=4 5051 B13R1.15 OCC(O)CSc1cncc(c1)O 62a_100000754920_100011219619 [0,1,0,0,0,1|2,0,0]=4 5052 B13R1.15 OCC(O)CSc1cncc(c1)O 62a_100011219619_100000754920 [0,1,0,0,0,1|2,0,0]=4 5053 B13R1.15 OC[C@@H](O)CNc1cc(ccn1)F 27a_100020644852_100000764206 [0,1,0,0,0,1|2,0,0]=4 5054 B13R1.15 OC[C@@H](O)CNc1cccc(n1)F 27a_100020644852_100009815982 [0,1,0,0,0,1|2,0,0]=4 5055 B13R1.15 OC[C@@H](O)CNc1ccnc(c1)F 27a_100020644852_100009816116 [0,1,0,0,0,1|2,0,0]=4 5056 B13R1.15 OC[C@H](F)CNc1cc(ccn1)F 27a_100015665980_100000764206 [0,1,0,0,0,1|2,0,0]=4 5057 B13R1.15 OC[C@H](F)CNc1cccc(n1)F 27a_100015665980_100009815982 [0,1,0,0,0,1|2,0,0]=4 5058 B13R1.15 OC[C@H](F)CNc1ccnc(c1)F 27a_100015665980_100009816116 [0,1,0,0,0,1|2,0,0]=4 5059 B13R1.15 OC[C@H](O)CNc1cccc(c1)Br 34a_100000210019_100009815848 [0,1,0,0,0,1|1,0,0]=3 5060 B13R1.15 OC[C@H](O)CNc1cccc(c1)Cl 34a_100000185859_100009815848 [0,1,0,0,0,1|1,0,0]=3 5061 B13R1.15 OC[C@H](O)CNc1cccc(c1)F 34a_100000210047_100009815848 [0,1,0,0,0,1|1,0,0]=3 5062 B13R1.15 OC[C@H](O)CNc1cccc(c1)I 34a_100000211102_100009815848 [0,1,0,0,0,1|1,0,0]=3 5063 B13R1.15 OC[C@H](O)CNc1cccc(c1)O 34a_100000210217_100009815848 [0,1,0,0,0,1|1,0,0]=3 5064 B13R1.15 OC[C@H](O)COc1cccc(c1)Br 34a_100000210342_100009815848 [0,1,0,0,0,1|1,0,0]=3 5065 B13R1.15 OC[C@H](O)COc1cccc(c1)Br 7a_100000210342_100009815848 [0,1,0,0,0,1|1,0,0]=3 5066 B13R1.15 OC[C@H](O)COc1cccc(c1)Cl 34a_100000210295_100009815848 [0,1,0,0,0,1|1,0,0]=3 5067 B13R1.15 OC[C@H](O)COc1cccc(c1)Cl 7a_100000210295_100009815848 [0,1,0,0,0,1|1,0,0]=3 5068 B13R1.15 OC[C@H](O)COc1cccc(c1)F 34a_100000210426_100009815848 [0,1,0,0,0,1|1,0,0]=3 5069 B13R1.15 OC[C@H](O)COc1cccc(c1)F 7a_100000210426_100009815848 [0,1,0,0,0,1|1,0,0]=3 5070 B13R1.15 OC[C@H](O)COc1cccc(c1)I 34a_100000211634_100009815848 [0,1,0,0,0,1|1,0,0]=3 5071 B13R1.15 OC[C@H](O)COc1cccc(c1)I 7a_100000211634_100009815848 [0,1,0,0,0,1|1,0,0]=3 5072 B13R1.15 OC[C@H](O)COc1cccc(n1)F 34a_100011432558_100009815848 [0,1,0,0,0,1|2,0,0]=4 5073 B13R1.15 OC[C@H](O)COc1ccnc(c1)Cl 34a_100000762945_100009815848 [0,1,0,0,0,1|2,0,0]=4 5074 B13R1.15 OC[C@H](O)COc1ccnc(c1)F 34a_100000732698_100009815848 [0,1,0,0,0,1|2,0,0]=4 5075 B13R1.15 OC[C@H](O)COc1cncc(c1)Br 34a_100000754920_100009815848 [0,1,0,0,0,1|2,0,0]=4 5076 B13R1.15 OC[C@H](O)COc1cncc(c1)Br 7a_100000754920_100009815848 [0,1,0,0,0,1|2,0,0]=4 5077 B13R1.15 OC[C@H](O)COc1cncc(c1)Cl 7a_100000032511_100009815848 [0,1,0,0,0,1|2,0,0]=4 5078 B13R1.15 OC[C@H](O)COc1cncc(c1)F 34a_100011830296_100009815848 [0,1,0,0,0,1|2,0,0]=4 5079 B13R1.15 OC[C@H](O)COc1cncc(c1)F 7a_100011830296_100009815848 [0,1,0,0,0,1|2,0,0]=4 5080 B13R1.15 OC[C@H](O)CSc1cc(ccn1)Cl 62a_100009815848_100010167805 [0,1,0,0,0,1|2,0,0]=4 5081 B13R1.15 OC[C@H](O)CSc1cc(ccn1)Cl 62a_100010167805_100009815848 [0,1,0,0,0,1|2,0,0]=4 5082 B13R1.15 OC[C@H](O)CSc1cc(ccn1)F 62a_100000764206_100009815848 [0,1,0,0,0,1|2,0,0]=4 5083 B13R1.15 OC[C@H](O)CSc1cc(ccn1)F 62a_100009815848_100000764206 [0,1,0,0,0,1|2,0,0]=4 5084 B13R1.15 OC[C@H](O)CSc1cc(ccn1)O 62a_100009815848_100000762945 [0,1,0,0,0,1|2,0,0]=4 5085 B13R1.15 OC[C@H](O)CSc1cccc(c1)Br 62a_100000691529_100009815848 [0,1,0,0,0,1|1,0,0]=3 5086 B13R1.15 OC[C@H](O)CSc1cccc(c1)Br 62a_100009815848_100000691529 [0,1,0,0,0,1|1,0,0]=3 5087 B13R1.15 OC[C@H](O)CSc1cccc(c1)Cl 62a_100000699651_100009815848 [0,1,0,0,0,1|1,0,0]=3 5088 B13R1.15 OC[C@H](O)CSc1cccc(c1)Cl 62a_100009815848_100000699651 [0,1,0,0,0,1|1,0,0]=3 5089 B13R1.15 OC[C@H](O)CSc1cccc(c1)F 62a_100000685547_100009815848 [0,1,0,0,0,1|1,0,0]=3 5090 B13R1.15 OC[C@H](O)CSc1cccc(c1)F 62a_100009815848_100000685547 [0,1,0,0,0,1|1,0,0]=3 5091 B13R1.15 OC[C@H](O)CSc1cccc(c1)O 62a_100009815848_100000211634 [0,1,0,0,0,1|1,0,0]=3 5092 B13R1.15 OC[C@H](O)CSc1cccc(c1)[S] 62a_100009815848_114929384022 [0,1,0,0,0,1|1,0,0]=3 5093 B13R1.15 OC[C@H](O)CSc1cccc(c1)[S] 62a_114929384022_100009815848 [0,1,0,0,0,1|1,0,0]=3 5094 B13R1.15 OC[C@H](O)CSc1cccc(n1)Br 62a_100000684672_100009815848 [0,1,0,0,0,1|2,0,0]=4 5095 B13R1.15 OC[C@H](O)CSc1cccc(n1)Br 62a_100009815848_100000684672 [0,1,0,0,0,1|2,0,0]=4 5096 B13R1.15 OC[C@H](O)CSc1cccc(n1)Cl 62a_100000051397_100009815848 [0,1,0,0,0,1|2,0,0]=4 5097 B13R1.15 OC[C@H](O)CSc1cccc(n1)Cl 62a_100009815848_100000051397 [0,1,0,0,0,1|2,0,0]=4 5098 B13R1.15 OC[C@H](O)CSc1cccc(n1)F 62a_100009815848_100009815982 [0,1,0,0,0,1|2,0,0]=4 5099 B13R1.15 OC[C@H](O)CSc1cccc(n1)F 62a_100009815982_100009815848 [0,1,0,0,0,1|2,0,0]=4 5100 B13R1.15 OC[C@H](O)CSc1ccnc(c1)Br 62a_100009814637_100009815848 [0,1,0,0,0,1|2,0,0]=4 5101 B13R1.15 OC[C@H](O)CSc1ccnc(c1)Br 62a_100009815848_100009814637 [0,1,0,0,0,1|2,0,0]=4 5102 B13R1.15 OC[C@H](O)CSc1ccnc(c1)Cl 62a_100000035001_100009815848 [0,1,0,0,0,1|2,0,0]=4 5103 B13R1.15 OC[C@H](O)CSc1ccnc(c1)Cl 62a_100009815848_100000035001 [0,1,0,0,0,1|2,0,0]=4 5104 B13R1.15 OC[C@H](O)CSc1ccnc(c1)F 62a_100009815848_100009816116 [0,1,0,0,0,1|2,0,0]=4 5105 B13R1.15 OC[C@H](O)CSc1ccnc(c1)F 62a_100009816116_100009815848 [0,1,0,0,0,1|2,0,0]=4 5106 B13R1.15 OC[C@H](O)CSc1cncc(c1)Br 62a_100000728054_100009815848 [0,1,0,0,0,1|2,0,0]=4 5107 B13R1.15 OC[C@H](O)CSc1cncc(c1)Br 62a_100009815848_100000728054 [0,1,0,0,0,1|2,0,0]=4 5108 B13R1.15 OC[C@H](O)CSc1cncc(c1)Cl 62a_100000049639_100009815848 [0,1,0,0,0,1|2,0,0]=4 5109 B13R1.15 OC[C@H](O)CSc1cncc(c1)Cl 62a_100009815848_100000049639 [0,1,0,0,0,1|2,0,0]=4 5110 B13R1.15 OC[C@H](O)CSc1cncc(c1)F 62a_100000744099_100009815848 [0,1,0,0,0,1|2,0,0]=4 5111 B13R1.15 OC[C@H](O)CSc1cncc(c1)F 62a_100009815848_100000744099 [0,1,0,0,0,1|2,0,0]=4 5112 B13R1.15 OC[C@H](O)CSc1cncc(c1)O 62a_100000754920_100009815848 [0,1,0,0,0,1|2,0,0]=4 5113 B13R1.15 OC[C@H](O)CSc1cncc(c1)O 62a_100009815848_100000754920 [0,1,0,0,0,1|2,0,0]=4 5114 B13R1.15 O[C@@H](CF)CNc1cccc(c1)Br 34a_100000210019_100015614560 [0,1,0,0,0,1|2,0,0]=4 5115 B13R1.15 O[C@@H](CF)CNc1cccc(c1)Cl 34a_100000185859_100015614560 [0,1,0,0,0,1|2,0,0]=4 5116 B13R1.15 O[C@@H](CF)CNc1cccc(c1)F 34a_100000210047_100015614560 [0,1,0,0,0,1|2,0,0]=4 5117 B13R1.15 O[C@@H](CF)CNc1cccc(c1)I 34a_100000211102_100015614560 [0,1,0,0,0,1|2,0,0]=4 5118 B13R1.15 O[C@@H](CF)COc1cccc(c1)Br 34a_100000210342_100015614560 [0,1,0,0,0,1|2,0,0]=4 5119 B13R1.15 O[C@@H](CF)COc1cccc(c1)Br 7a_100000210342_100015614560 [0,1,0,0,0,1|2,0,0]=4 5120 B13R1.15 O[C@@H](CF)COc1cccc(c1)Cl 34a_100000210295_100015614560 [0,1,0,0,0,1|2,0,0]=4 5121 B13R1.15 O[C@@H](CF)COc1cccc(c1)Cl 7a_100000210295_100015614560 [0,1,0,0,0,1|2,0,0]=4 5122 B13R1.15 O[C@@H](CF)COc1cccc(c1)F 34a_100000210426_100015614560 [0,1,0,0,0,1|2,0,0]=4 5123 B13R1.15 O[C@@H](CF)COc1cccc(c1)F 7a_100000210426_100015614560 [0,1,0,0,0,1|2,0,0]=4 5124 B13R1.15 O[C@@H](CF)COc1cccc(c1)I 34a_100000211634_100015614560 [0,1,0,0,0,1|2,0,0]=4 5125 B13R1.15 O[C@@H](CF)COc1cccc(c1)I 7a_100000211634_100015614560 [0,1,0,0,0,1|2,0,0]=4 5126 B13R1.15 O[C@@H](CF)CSc1cccc(c1)Br 62a_100000691529_100015614560 [0,1,0,0,0,1|2,0,0]=4 5127 B13R1.15 O[C@@H](CF)CSc1cccc(c1)Br 62a_100015614560_100000691529 [0,1,0,0,0,1|2,0,0]=4 5128 B13R1.15 O[C@@H](CF)CSc1cccc(c1)Cl 62a_100000699651_100015614560 [0,1,0,0,0,1|2,0,0]=4 5129 B13R1.15 O[C@@H](CF)CSc1cccc(c1)Cl 62a_100015614560_100000699651 [0,1,0,0,0,1|2,0,0]=4 5130 B13R1.15 O[C@@H](CF)CSc1cccc(c1)F 62a_100000685547_100015614560 [0,1,0,0,0,1|2,0,0]=4 5131 B13R1.15 O[C@@H](CF)CSc1cccc(c1)F 62a_100015614560_100000685547 [0,1,0,0,0,1|2,0,0]=4 5132 B13R1.15 O[C@@H](CF)CSc1cccc(c1)[S] 62a_100015614560_114929384022 [0,1,0,0,0,1|2,0,0]=4 5133 B13R1.15 O[C@@H](CF)CSc1cccc(c1)[S] 62a_114929384022_100015614560 [0,1,0,0,0,1|2,0,0]=4 5134 B13R1.15 Oc1cccc(c1)NC[C@@H](O)CF 34a_100000210217_100015614560 [0,1,0,0,0,1|2,0,0]=4 5135 B13R1.15 Oc1cccc(c1)SC[C@@H](O)CF 62a_100015614560_100000211634 [0,1,0,0,0,1|2,0,0]=4 5136 B13R1.15 [O-][n+]1cccc(c1)OCC(O)CO 34a_100000039713_100011219619 [0,1,0,0,0,1|2,0,0]=4 5137 B13R1.15 [O-][n+]1cccc(c1)OCC(O)CO 7a_100000039713_100011219619 [0,1,0,0,0,1|2,0,0]=4 5138 B13R1.15 [O-][n+]1cccc(c1)OC[C@@H](O)CO 34a_100000039713_100009815848 [0,1,0,0,0,1|2,0,0]=4 5139 B13R1.15 [O-][n+]1cccc(c1)OC[C@@H](O)CO 7a_100000039713_100009815848 [0,1,0,0,0,1|2,0,0]=4 5140 B13R1.15 [O-][n+]1cccc(c1)SCC(O)CO 62a_100011219619_100009815978 [0,1,0,0,0,1|2,0,0]=4 5141 B13R1.15 [O-][n+]1cccc(c1)SC[C@@H](O)CO 62a_100009815848_100009815978 [0,1,0,0,0,1|2,0,0]=4 5142 B13R1.42 C#CCC(C)OCc1ccccc1 34a_100000685586_100015291786 [0,1,0,0,0,1|2,0,0]=4 5143 B13R1.42 C#CCC(C)OCc1ccccc1 7a_100000685586_100000211182 [0,1,0,0,0,1|2,0,0]=4 5144 B13R1.42 C=CC[C@@H](C)OCc1ccccc1 34a_100000731007_100015291786 [0,1,0,0,0,1|2,0,0]=4 5145 B13R1.42 C=CC[C@@H](C)OCc1ccccc1 7a_100000731007_100000211182 [0,1,0,0,0,1|2,0,0]=4 5146 B13R1.42 CC(CC#N)NCc1ccccc1 2230a_100015324214_100009813641 [0,1,0,0,0,1|2,0,0]=4 5147 B13R1.42 CC(CC#N)OCc1ccccc1 7a_100000210790_100009813641 [0,1,0,0,0,1|2,0,0]=4 5148 B13R1.42 CC(CC#N)SCc1ccccc1 62a_100000211182_100009813641 [0,1,0,0,0,1|2,0,0]=4 5149 B13R1.42 CC(CC#N)SCc1ccccc1 62a_100009813641_100015291786 [0,1,0,0,0,1|2,0,0]=4 5150 B13R1.42 CC(CCBr)OCc1ccccc1 34a_100012276601_100015291786 [0,1,0,0,0,1|2,0,0]=4 5151 B13R1.42 CC(CCO)NCc1ccccc1 2230a_100015324214_100009893172 [0,1,0,0,0,1|1,0,0]=3 5152 B13R1.42 CC(CCO)NCc1ccccc1 34a_100015324214_100009893172 [0,1,0,0,0,1|1,0,0]=3 5153 B13R1.42 CC(CCO)OCc1ccccc1 34a_100000210790_100009893172 [0,1,0,0,0,1|1,0,0]=3 5154 B13R1.42 CC(CCO)OCc1ccccc1 7a_100000210790_100009893172 [0,1,0,0,0,1|1,0,0]=3 5155 B13R1.42 CC(CCO)SCc1ccccc1 62a_100000211182_100009893172 [0,1,0,0,0,1|1,0,0]=3 5156 B13R1.42 CC(CCO)SCc1ccccc1 62a_100009893172_100015291786 [0,1,0,0,0,1|1,0,0]=3 5157 B13R1.42 CC(CCO)SCc1ccccn1 62a_100000721315_100009893172 [0,1,0,0,0,1|2,0,0]=4 5158 B13R1.42 CC(CCO)SCc1ccccn1 62a_100009893172_100000721315 [0,1,0,0,0,1|2,0,0]=4 5159 B13R1.42 CC(CCO)SCc1cccnc1 62a_100000741622_100009893172 [0,1,0,0,0,1|2,0,0]=4 5160 B13R1.42 CC(CCO)SCc1cccnc1 62a_100009893172_100000741622 [0,1,0,0,0,1|2,0,0]=4 5161 B13R1.42 CC(CCO)SCc1ccncc1 62a_100009893172_100015193705 [0,1,0,0,0,1|2,0,0]=4 5162 B13R1.42 CC(CCO)SCc1ccncc1 62a_100015193705_100009893172 [0,1,0,0,0,1|2,0,0]=4 5163 B13R1.42 CC(CCc1ccccc1)NCF 34a_100000210798_100015361967 [0,1,0,0,0,1|2,0,0]=4 5164 B13R1.42 CC(COc1ccccc1)NCF 34a_100000746794_100015361967 [0,1,0,0,0,1|2,0,0]=4 5165 B13R1.42 CC(COc1ccccc1)OCF 34a_100000210911_100015361967 [0,1,0,0,0,1|2,0,0]=4 5166 B13R1.42 CC(COc1ccccc1)OCF 7a_100000210911_100015361967 [0,1,0,0,0,1|2,0,0]=4 5167 B13R1.42 CCCC(C)CNc1ccccc1 34a_100000106764_100011216630 [0,1,0,0,0,1|2,0,0]=4 5168 B13R1.42 CCCC(C)COc1ccccc1 34a_100000210340_100011216630 [0,1,0,0,0,1|2,0,0]=4 5169 B13R1.42 CCCC(C)COc1ccccc1 7a_100000210340_100011216630 [0,1,0,0,0,1|2,0,0]=4 5170 B13R1.42 CCCC(C)CSc1ccccc1 62a_100000719477_100011216630 [0,1,0,0,0,1|2,0,0]=4 5171 B13R1.42 CCCC(C)CSc1ccccc1 62a_100011216630_100000041952 [0,1,0,0,0,1|2,0,0]=4 5172 B13R1.42 CCCC(C)NCc1ccccc1 207a_100000741246_100015611070 [0,1,0,0,0,1|2,0,0]=4 5173 B13R1.42 CCCC(C)NCc1ccccc1 2230a_100000741246_100015291786 [0,1,0,0,0,1|2,0,0]=4 5174 B13R1.42 CCCC(C)NCc1ccccc1 2230a_100015324214_100000766640 [0,1,0,0,0,1|2,0,0]=4 5175 B13R1.42 CCCC(C)NCc1ccccc1 270004a_100000741246_100015611070 [0,1,0,0,0,1|2,0,0]=4 5176 B13R1.42 CCCC(C)NCc1ccccc1 270004a_100015324214_100000211909 [0,1,0,0,0,1|2,0,0]=4 5177 B13R1.42 CCCC(C)NCc1ccccc1 34a_100015324214_100000766640 [0,1,0,0,0,1|2,0,0]=4 5178 B13R1.42 CCCC(C)OCc1ccccc1 34a_100000210790_100000766640 [0,1,0,0,0,1|2,0,0]=4 5179 B13R1.42 CCCC(C)OCc1ccccc1 34a_100000764384_100015291786 [0,1,0,0,0,1|2,0,0]=4 5180 B13R1.42 CCCC(C)OCc1ccccc1 7a_100000210790_100000766640 [0,1,0,0,0,1|2,0,0]=4 5181 B13R1.42 CCCC(C)OCc1ccccc1 7a_100000764384_100000211182 [0,1,0,0,0,1|2,0,0]=4 5182 B13R1.42 CCCC(C)SCc1ccccc1 62a_100000211182_100000766640 [0,1,0,0,0,1|2,0,0]=4 5183 B13R1.42 CCCC(C)SCc1ccccc1 62a_100000766640_100015291786 [0,1,0,0,0,1|2,0,0]=4 5184 B13R1.42 CCNC(C)CCc1ccccc1 2230a_100000210798_100000210202 [0,1,0,0,0,1|2,0,0]=4 5185 B13R1.42 CCNC(C)CCc1ccccc1 270004a_100015525214_100000210092 [0,1,0,0,0,1|2,0,0]=4 5186 B13R1.42 CCNC(C)CCc1ccccc1 34a_100000210798_100000210202 [0,1,0,0,0,1|2,0,0]=4 5187 B13R1.42 CCNC(C)COc1ccccc1 2230a_100000746794_100000210202 [0,1,0,0,0,1|2,0,0]=4 5188 B13R1.42 CCNC(C)COc1ccccc1 270004a_100015525214_100000150576 [0,1,0,0,0,1|2,0,0]=4 5189 B13R1.42 CCNC(C)COc1ccccc1 34a_100000746794_100000210202 [0,1,0,0,0,1|2,0,0]=4 5190 B13R1.42 CCNC(C)CSc1ccccc1 270004a_100015525214_100000150717 [0,1,0,0,0,1|2,0,0]=4 5191 B13R1.42 CCOC(C)COc1ccccc1 34a_100000210911_100000210202 [0,1,0,0,0,1|2,0,0]=4 5192 B13R1.42 CCOC(C)COc1ccccc1 7a_100000210911_100000210202 [0,1,0,0,0,1|2,0,0]=4 5193 B13R1.42 CCO[C@@H](C)CCc1ccccc1 34a_100009815974_100000210202 [0,1,0,0,0,1|2,0,0]=4 5194 B13R1.42 CCO[C@@H](C)CCc1ccccc1 7a_100009815974_100000210202 [0,1,0,0,0,1|2,0,0]=4 5195 B13R1.42 CN(CCO)CCc1ccccc1 2230a_100000207497_100000211926 [0,1,0,0,0,1|2,0,0]=4 5196 B13R1.42 CN(CCO)CCc1ccccc1 2230a_100000210263_100000765856 [0,1,0,0,0,1|2,0,0]=4 5197 B13R1.42 CN(CCO)CCc1ccccc1 269982a_100000207497_100000211926 [0,1,0,0,0,1|2,0,0]=4 5198 B13R1.42 CN(CCO)CCc1ccccc1 269982a_100000210263_100000765856 [0,1,0,0,0,1|2,0,0]=4 5199 B13R1.42 CN(CCO)CSc1ccccc1 2230a_100000210263_100011218342 [0,1,0,0,0,1|2,0,0]=4 5200 B13R1.42 CN(CCO)CSc1ccccc1 269982a_100000210263_100011218342 [0,1,0,0,0,1|2,0,0]=4 5201 B13R1.42 CNCC(O)COc1ccccc1 2230a_100000738913_200000210301 [0,1,0,0,0,1|2,0,0]=4 5202 B13R1.42 CNCC(O)COc1ccccc1 34a_100000738913_200000210301 [0,1,0,0,0,1|2,0,0]=4 5203 B13R1.42 COCC(=O)CCc1ccccc1 1458a_100000210968_100000765856 [0,1,0,0,0,1|1,0,1]=4 5204 B13R1.42 COCC(=O)CCc1ccccc1 34a_100138415774_100012361361 [0,1,0,0,0,1|1,0,1]=4 5205 B13R1.42 COCC(=O)NCc1ccccc1 11a_100015324214_100000210968 [0,1,0,0,0,1|1,0,1]=4 5206 B13R1.42 COCC(=O)NCc1ccccc1 1626a_100015324214_100000210968 [0,1,0,0,0,1|1,0,1]=4 5207 B13R1.42 COCC(=O)NCc1ccccc1 240690a_100015324214_100000210968 [0,1,0,0,0,1|1,0,1]=4 5208 B13R1.42 COCC(=O)NCc1ccccc1 34a_100138415774_100000183539 [0,1,0,0,0,1|1,0,1]=4 5209 B13R1.42 COCC(=O)NCc1ccccc1 527a_100015324214_100000210968 [0,1,0,0,0,1|1,0,1]=4 5210 B13R1.42 COCC(=O)OCc1ccccc1 34a_100138415774_100000753625 [0,1,0,0,0,1|1,0,1]=4 5211 B13R1.42 COCC(C)NCc1ccccc1 2230a_100015324214_100000765312 [0,1,0,0,0,1|1,0,0]=3 5212 B13R1.42 COCC(C)NCc1ccccc1 270004a_100015324214_100000749346 [0,1,0,0,0,1|1,0,0]=3 5213 B13R1.42 COCC(C)NCc1ccccc1 34a_100015324214_100000765312 [0,1,0,0,0,1|1,0,0]=3 5214 B13R1.42 COCC(C)NCc1ccccn1 270004a_100000210449_100000749346 [0,1,0,0,0,1|2,0,0]=4 5215 B13R1.42 COCC(C)NCc1cccnc1 270004a_100000210453_100000749346 [0,1,0,0,0,1|2,0,0]=4 5216 B13R1.42 COCC(C)OCc1ccccc1 34a_100000210790_100000765312 [0,1,0,0,0,1|1,0,0]=3 5217 B13R1.42 COCC(C)OCc1ccccc1 7a_100000210790_100000765312 [0,1,0,0,0,1|1,0,0]=3 5218 B13R1.42 COCC(C)SCc1ccccc1 62a_100000211182_100000765312 [0,1,0,0,0,1|1,0,0]=3 5219 B13R1.42 COCC(C)SCc1ccccc1 62a_100000765312_100015291786 [0,1,0,0,0,1|1,0,0]=3 5220 B13R1.42 COCC(C)SCc1ccccn1 62a_100000721315_100000765312 [0,1,0,0,0,1|2,0,0]=4 5221 B13R1.42 COCC(C)SCc1ccccn1 62a_100000765312_100000721315 [0,1,0,0,0,1|2,0,0]=4 5222 B13R1.42 COCC(C)SCc1cccnc1 62a_100000741622_100000765312 [0,1,0,0,0,1|2,0,0]=4 5223 B13R1.42 COCC(C)SCc1cccnc1 62a_100000765312_100000741622 [0,1,0,0,0,1|2,0,0]=4 5224 B13R1.42 COCC(C)SCc1ccncc1 62a_100000765312_100015193705 [0,1,0,0,0,1|2,0,0]=4 5225 B13R1.42 COCC(C)SCc1ccncc1 62a_100015193705_100000765312 [0,1,0,0,0,1|2,0,0]=4 5226 B13R1.42 COCC(O)CNc1ccccc1 34a_100000106764_100011215053 [0,1,0,0,0,1|1,0,0]=3 5227 B13R1.42 COCC(O)COc1ccccc1 34a_100000210340_100011215053 [0,1,0,0,0,1|1,0,0]=3 5228 B13R1.42 COCC(O)COc1ccccc1 7a_100000210340_100011215053 [0,1,0,0,0,1|1,0,0]=3 5229 B13R1.42 COCC(O)COc1cccnc1 34a_100000210849_100011215053 [0,1,0,0,0,1|2,0,0]=4 5230 B13R1.42 COCC(O)COc1cccnc1 7a_100000210849_100011215053 [0,1,0,0,0,1|2,0,0]=4 5231 B13R1.42 COCC(O)COc1ccncc1 34a_100000212176_100011215053 [0,1,0,0,0,1|2,0,0]=4 5232 B13R1.42 COCC(O)CSc1ccccc1 62a_100000719477_100011215053 [0,1,0,0,0,1|1,0,0]=3 5233 B13R1.42 COCC(O)CSc1ccccc1 62a_100011215053_100000041952 [0,1,0,0,0,1|1,0,0]=3 5234 B13R1.42 COCC(O)CSc1ccccn1 62a_100011215053_100011216584 [0,1,0,0,0,1|2,0,0]=4 5235 B13R1.42 COCC(O)CSc1ccccn1 62a_100011216584_100011215053 [0,1,0,0,0,1|2,0,0]=4 5236 B13R1.42 COCC(O)CSc1cccnc1 62a_100000210063_100011215053 [0,1,0,0,0,1|2,0,0]=4 5237 B13R1.42 COCC(O)CSc1cccnc1 62a_100011215053_100000210063 [0,1,0,0,0,1|2,0,0]=4 5238 B13R1.42 COCC(O)CSc1ccncc1 62a_100000728582_100011215053 [0,1,0,0,0,1|2,0,0]=4 5239 B13R1.42 COCC(O)CSc1ccncc1 62a_100011215053_100000728582 [0,1,0,0,0,1|2,0,0]=4 5240 B13R1.42 COCN(C)CCc1ccccc1 2230a_100000207497_100000766300 [0,1,0,0,0,1|2,0,0]=4 5241 B13R1.42 COCN(C)CCc1ccccc1 269982a_100000207497_100000766300 [0,1,0,0,0,1|2,0,0]=4 5242 B13R1.42 COC[C@@H](C)NCc1ccccc1 207a_100000764878_100015611070 [0,1,0,0,0,1|1,0,0]=3 5243 B13R1.42 COC[C@@H](C)NCc1ccccc1 2230a_100000764878_100015291786 [0,1,0,0,0,1|1,0,0]=3 5244 B13R1.42 COC[C@@H](C)NCc1ccccc1 270004a_100000764878_100015611070 [0,1,0,0,0,1|1,0,0]=3 5245 B13R1.42 COC[C@@H](C)NCc1ccccc1 34a_100000762708_200000210301 [0,1,0,0,0,1|1,0,0]=3 5246 B13R1.42 COC[C@@H](C)NCc1ccccn1 207a_100000764878_100000209966 [0,1,0,0,0,1|2,0,0]=4 5247 B13R1.42 COC[C@@H](C)NCc1ccccn1 2230a_100000764878_100000721315 [0,1,0,0,0,1|2,0,0]=4 5248 B13R1.42 COC[C@@H](C)NCc1ccccn1 270004a_100000764878_100000209966 [0,1,0,0,0,1|2,0,0]=4 5249 B13R1.42 COC[C@@H](C)NCc1cccnc1 207a_100000764878_100000209961 [0,1,0,0,0,1|2,0,0]=4 5250 B13R1.42 COC[C@@H](C)NCc1cccnc1 2230a_100000764878_100000741622 [0,1,0,0,0,1|2,0,0]=4 5251 B13R1.42 COC[C@@H](C)NCc1cccnc1 270004a_100000764878_100000209961 [0,1,0,0,0,1|2,0,0]=4 5252 B13R1.42 COC[C@@H](C)NCc1ccncc1 207a_100000764878_100000186114 [0,1,0,0,0,1|2,0,0]=4 5253 B13R1.42 COC[C@@H](C)NCc1ccncc1 2230a_100000764878_100015193705 [0,1,0,0,0,1|2,0,0]=4 5254 B13R1.42 COC[C@@H](C)OCc1ccccc1 34a_100011934205_100015291786 [0,1,0,0,0,1|1,0,0]=3 5255 B13R1.42 COC[C@@H](C)OCc1ccccn1 34a_100011934205_100000721315 [0,1,0,0,0,1|2,0,0]=4 5256 B13R1.42 COC[C@@H](C)OCc1cccnc1 34a_100011934205_100000733263 [0,1,0,0,0,1|2,0,0]=4 5257 B13R1.42 CSCC(C)NCc1ccccc1 270004a_100015324214_100011216314 [0,1,0,0,0,1|1,1,0]=4 5258 B13R1.42 C[C@@H](CC#N)NCc1ccccc1 207a_100016994482_100015611070 [0,1,0,0,0,1|2,0,0]=4 5259 B13R1.42 C[C@@H](CC#N)NCc1ccccc1 2230a_100016994482_100015291786 [0,1,0,0,0,1|2,0,0]=4 5260 B13R1.42 C[C@@H](CCc1ccccc1)OCF 34a_100009815974_100015361967 [0,1,0,0,0,1|2,0,0]=4 5261 B13R1.42 C[C@@H](CCc1ccccc1)OCF 7a_100009815974_100015361967 [0,1,0,0,0,1|2,0,0]=4 5262 B13R1.42 C[C@H](CCO)NCc1ccccc1 207a_100000706166_100015611070 [0,1,0,0,0,1|1,0,0]=3 5263 B13R1.42 C[C@H](CCO)NCc1ccccc1 2230a_100000706166_100015291786 [0,1,0,0,0,1|1,0,0]=3 5264 B13R1.42 C[C@H](CCO)NCc1ccccc1 270004a_100000706166_100015611070 [0,1,0,0,0,1|1,0,0]=3 5265 B13R1.42 C[C@H](CCO)NCc1ccccc1 34a_100000706166_100015291786 [0,1,0,0,0,1|1,0,0]=3 5266 B13R1.42 C[C@H](CCO)NCc1ccccn1 207a_100000706166_100000209966 [0,1,0,0,0,1|2,0,0]=4 5267 B13R1.42 C[C@H](CCO)NCc1ccccn1 2230a_100000706166_100000721315 [0,1,0,0,0,1|2,0,0]=4 5268 B13R1.42 C[C@H](CCO)NCc1ccccn1 270004a_100000706166_100000209966 [0,1,0,0,0,1|2,0,0]=4 5269 B13R1.42 C[C@H](CCO)NCc1ccccn1 34a_100000706166_100000721315 [0,1,0,0,0,1|2,0,0]=4 5270 B13R1.42 C[C@H](CCO)NCc1cccnc1 207a_100000706166_100000209961 [0,1,0,0,0,1|2,0,0]=4 5271 B13R1.42 C[C@H](CCO)NCc1cccnc1 2230a_100000706166_100000741622 [0,1,0,0,0,1|2,0,0]=4 5272 B13R1.42 C[C@H](CCO)NCc1cccnc1 270004a_100000706166_100000209961 [0,1,0,0,0,1|2,0,0]=4 5273 B13R1.42 C[C@H](CCO)NCc1cccnc1 34a_100000706166_100000733263 [0,1,0,0,0,1|2,0,0]=4 5274 B13R1.42 C[C@H](CCO)NCc1ccncc1 207a_100000706166_100000186114 [0,1,0,0,0,1|2,0,0]=4 5275 B13R1.42 C[C@H](CCO)NCc1ccncc1 2230a_100000706166_100015193705 [0,1,0,0,0,1|2,0,0]=4 5276 B13R1.42 C[C@H](CO[13CH3])NCc1ccccc1 34a_100000762708_200025704644 [0,1,0,0,0,1|1,0,0]=3 5277 B13R1.42 N#CC[C@H](O)COc1ccccc1 7a_100000210340_100000001066 [0,1,0,0,0,1|2,0,0]=4 5278 B13R1.42 N#CC[C@H](O)CSc1ccccc1 62a_100000001066_100000041952 [0,1,0,0,0,1|2,0,0]=4 5279 B13R1.42 N#CC[C@H](O)CSc1ccccc1 62a_100000719477_100000001066 [0,1,0,0,0,1|2,0,0]=4 5280 B13R1.42 O=C(CCO)CCc1ccccc1 1458a_100000185753_100000211926 [0,1,0,0,0,1|1,0,1]=4 5281 B13R1.42 O=C(CCO)CCc1ccccc1 1458a_100011216618_100000765856 [0,1,0,0,0,1|1,0,1]=4 5282 B13R1.42 O=C(CCO)COc1ccccc1 1458a_100000186222_100000211926 [0,1,0,0,0,1|1,0,1]=4 5283 B13R1.42 O=C(CCO)CSc1ccccc1 1458a_100000211596_100000211926 [0,1,0,0,0,1|1,0,1]=4 5284 B13R1.42 O=C(CCO)NCc1ccccc1 240690a_100015324214_100011216618 [0,1,0,0,0,1|1,0,1]=4 5285 B13R1.42 O=C(CNc1ccccc1)NCO 34a_100000106764_100000185155 [0,1,0,0,0,1|1,0,1]=4 5286 B13R1.42 O=C(COc1ccccc1)NCO 34a_100000210340_100000185155 [0,1,0,0,0,1|1,0,1]=4 5287 B13R1.42 O=C(COc1ccccc1)NCO 7a_100000210340_100000185155 [0,1,0,0,0,1|1,0,1]=4 5288 B13R1.42 O=C(CSc1ccccc1)NCO 62a_100000185155_100000041952 [0,1,0,0,0,1|1,0,1]=4 5289 B13R1.42 O=C(CSc1ccccc1)NCO 62a_100000719477_100000185155 [0,1,0,0,0,1|1,0,1]=4 5290 B13R1.42 [13CH3]NCC(O)COc1ccccc1 2230a_100000738913_200025704644 [0,1,0,0,0,1|2,0,0]=4 5291 B13R1.42 [13CH3]NCC(O)COc1ccccc1 34a_100000738913_200025704644 [0,1,0,0,0,1|2,0,0]=4 5292 B13R1.135 CC(CO)N(C)Cc1ccccc1 2230a_100000186898_100012180447 [0,1,0,0,0,1|1,0,0]=3 5293 B13R1.135 CC(CO)N(C)Cc1ccccc1 2230a_100000693034_100015291786 [0,1,0,0,0,1|1,0,0]=3 5294 B13R1.135 CC(CO)N(C)Cc1ccccc1 269982a_100000693034_100000211182 [0,1,0,0,0,1|1,0,0]=3 5295 B13R1.135 CC(CO)N(C)Cc1ccccc1 270004a_100000693034_100015611070 [0,1,0,0,0,1|1,0,0]=3 5296 B13R1.135 CC(CO)N(C)Cc1ccccn1 2230a_100000207498_100012180447 [0,1,0,0,0,1|2,0,0]=4 5297 B13R1.135 CC(CO)N(C)Cc1ccccn1 2230a_100000693034_100000721315 [0,1,0,0,0,1|2,0,0]=4 5298 B13R1.135 CC(CO)N(C)Cc1ccccn1 269982a_100000693034_100000721315 [0,1,0,0,0,1|2,0,0]=4 5299 B13R1.135 CC(CO)N(C)Cc1ccccn1 270004a_100000693034_100000209966 [0,1,0,0,0,1|2,0,0]=4 5300 B13R1.135 CC(CO)N(C)Cc1cccnc1 2230a_100000184577_100012180447 [0,1,0,0,0,1|2,0,0]=4 5301 B13R1.135 CC(CO)N(C)Cc1cccnc1 2230a_100000693034_100000741622 [0,1,0,0,0,1|2,0,0]=4 5302 B13R1.135 CC(CO)N(C)Cc1cccnc1 269982a_100000693034_100000733263 [0,1,0,0,0,1|2,0,0]=4 5303 B13R1.135 CC(CO)N(C)Cc1cccnc1 270004a_100000693034_100000209961 [0,1,0,0,0,1|2,0,0]=4 5304 B13R1.135 CC(CO)N(C)Cc1ccncc1 2230a_100000187231_100012180447 [0,1,0,0,0,1|2,0,0]=4 5305 B13R1.135 CC(CO)N(C)Cc1ccncc1 2230a_100000693034_100015193705 [0,1,0,0,0,1|2,0,0]=4 5306 B13R1.135 CC(CO)N(C)Cc1ccncc1 269982a_100000693034_100015193705 [0,1,0,0,0,1|2,0,0]=4 5307 B13R1.135 CC(Cc1ccccc1)C(=O)CO 1458a_100000210174_200011218536 [0,1,0,0,0,1|1,0,1]=4 5308 B13R1.135 CCC(C)C(=O)Cc1ccccc1 1458a_100011192722_100015291786 [0,1,0,0,0,1|2,0,0]=4 5309 B13R1.135 CCC(C)N(C)Cc1ccccc1 2230a_100000186898_100000758301 [0,1,0,0,0,1|2,0,0]=4 5310 B13R1.135 CCC(C)N(C)Cc1ccccc1 2230a_100000693180_200000210301 [0,1,0,0,0,1|2,0,0]=4 5311 B13R1.135 CCC(C)N(C)Cc1ccccc1 2230a_100000741768_100015291786 [0,1,0,0,0,1|2,0,0]=4 5312 B13R1.135 CCC(C)N(C)Cc1ccccc1 269982a_100000186898_100000758301 [0,1,0,0,0,1|2,0,0]=4 5313 B13R1.135 CCC(C)N(C)Cc1ccccc1 269982a_100000693180_200000210301 [0,1,0,0,0,1|2,0,0]=4 5314 B13R1.135 CCC(C)N(C)Cc1ccccc1 269982a_100000741768_100000211182 [0,1,0,0,0,1|2,0,0]=4 5315 B13R1.135 CCC(C)N(C)Cc1ccccc1 270004a_100000741768_100015611070 [0,1,0,0,0,1|2,0,0]=4 5316 B13R1.135 CCC(C)N([13CH3])Cc1ccccc1 2230a_100000693180_200025704644 [0,1,0,0,0,1|2,0,0]=4 5317 B13R1.135 CCC(C)N([13CH3])Cc1ccccc1 269982a_100000693180_200025704644 [0,1,0,0,0,1|2,0,0]=4 5318 B13R1.135 CCC(O)C(=O)Cc1ccccc1 1458a_100011196387_100015291786 [0,1,0,0,0,1|2,0,0]=4 5319 B13R1.135 CN(Cc1ccccc1)C(=O)CO 240690a_100000186898_100000210174 [0,1,0,0,0,1|1,0,1]=4 5320 B13R1.135 CN(Cc1ccccc1)C(=O)CO 527a_100000186898_100000210174 [0,1,0,0,0,1|1,0,1]=4 5321 B13R1.135 C[C@H](CO)N(C)Cc1ccccc1 2230a_100000762708_200000210301 [0,1,0,0,0,1|1,0,0]=3 5322 B13R1.135 C[C@H](CO)N(C)Cc1ccccc1 269982a_100000186898_100016084084 [0,1,0,0,0,1|1,0,0]=3 5323 B13R1.135 C[C@H](CO)N(C)Cc1ccccc1 269982a_100000762708_200000210301 [0,1,0,0,0,1|1,0,0]=3 5324 B13R1.135 C[C@H](CO)N(C)Cc1ccccn1 269982a_100000207498_100016084084 [0,1,0,0,0,1|2,0,0]=4 5325 B13R1.135 C[C@H](CO)N(C)Cc1cccnc1 269982a_100000184577_100016084084 [0,1,0,0,0,1|2,0,0]=4 5326 B13R1.135 C[C@H](CO)N(C)Cc1ccncc1 269982a_100000187231_100016084084 [0,1,0,0,0,1|2,0,0]=4 5327 B13R1.135 C[C@H](CO)N([13CH3])Cc1ccccc1 2230a_100000762708_200025704644 [0,1,0,0,0,1|1,0,0]=3 5328 B13R1.135 C[C@H](CO)N([13CH3])Cc1ccccc1 269982a_100000762708_200025704644 [0,1,0,0,0,1|1,0,0]=3 5329 B13R1.135 O=C(Cc1ccccc1)C(O)CO 1458a_100011215603_100015291786 [0,1,0,0,0,1|1,0,0]=3 5330 B13R1.135 O=C(Cc1ccccn1)C(O)CO 1458a_100011215603_100000721315 [0,1,0,0,0,1|2,0,0]=4 5331 B13R1.135 O=C(Cc1cccnc1)C(O)CO 1458a_100011215603_100000733263 [0,1,0,0,0,1|2,0,0]=4 5332 B13R1.135 O=C(Cc1ccncc1)C(O)CO 1458a_100011215603_100000705612 [0,1,0,0,0,1|2,0,0]=4 5333 B13R1.135 O=C(Nc1ccccc1)C(O)CO 22a_100000106764_100011215603 [0,1,0,0,0,1|1,0,1]=4 5334 B13R1.254 CC(C)(CCl)OCc1ccccc1 7a_100000764493_100000211182 [0,1,0,0,0,1|2,0,0]=4 5335 B13R1.254 CC(C)(CO)CNc1ccccc1 34a_100000106764_100009813988 [0,1,0,0,0,1|1,0,0]=3 5336 B13R1.254 CC(C)(CO)COc1ccccc1 34a_100000210340_100009813988 [0,1,0,0,0,1|1,0,0]=3 5337 B13R1.254 CC(C)(CO)COc1ccccc1 7a_100000210340_100009813988 [0,1,0,0,0,1|1,0,0]=3 5338 B13R1.254 CC(C)(CO)COc1cccnc1 34a_100000210849_100009813988 [0,1,0,0,0,1|2,0,0]=4 5339 B13R1.254 CC(C)(CO)COc1cccnc1 7a_100000210849_100009813988 [0,1,0,0,0,1|2,0,0]=4 5340 B13R1.254 CC(C)(CO)COc1ccncc1 34a_100000212176_100009813988 [0,1,0,0,0,1|2,0,0]=4 5341 B13R1.254 CC(C)(CO)CSc1ccccc1 62a_100000719477_100009813988 [0,1,0,0,0,1|1,0,0]=3 5342 B13R1.254 CC(C)(CO)CSc1ccccc1 62a_100009813988_100000041952 [0,1,0,0,0,1|1,0,0]=3 5343 B13R1.254 CC(C)(CO)CSc1ccccn1 62a_100009813988_100011216584 [0,1,0,0,0,1|2,0,0]=4 5344 B13R1.254 CC(C)(CO)CSc1ccccn1 62a_100011216584_100009813988 [0,1,0,0,0,1|2,0,0]=4 5345 B13R1.254 CC(C)(CO)CSc1cccnc1 62a_100000210063_100009813988 [0,1,0,0,0,1|2,0,0]=4 5346 B13R1.254 CC(C)(CO)CSc1cccnc1 62a_100009813988_100000210063 [0,1,0,0,0,1|2,0,0]=4 5347 B13R1.254 CC(C)(CO)CSc1ccncc1 62a_100000728582_100009813988 [0,1,0,0,0,1|2,0,0]=4 5348 B13R1.254 CC(C)(CO)CSc1ccncc1 62a_100009813988_100000728582 [0,1,0,0,0,1|2,0,0]=4 5349 B13R1.254 CC(C)(CO)NCc1ccccc1 207a_100000210608_100015611070 [0,1,0,0,0,1|1,0,0]=3 5350 B13R1.254 CC(C)(CO)NCc1ccccc1 2230a_100000210608_100015291786 [0,1,0,0,0,1|1,0,0]=3 5351 B13R1.254 CC(C)(CO)NCc1ccccc1 270004a_100000210608_100015611070 [0,1,0,0,0,1|1,0,0]=3 5352 B13R1.254 CC(C)(CO)NCc1ccccn1 207a_100000210608_100000209966 [0,1,0,0,0,1|2,0,0]=4 5353 B13R1.254 CC(C)(CO)NCc1ccccn1 2230a_100000210608_100000721315 [0,1,0,0,0,1|2,0,0]=4 5354 B13R1.254 CC(C)(CO)NCc1ccccn1 270004a_100000210608_100000209966 [0,1,0,0,0,1|2,0,0]=4 5355 B13R1.254 CC(C)(CO)NCc1cccnc1 207a_100000210608_100000209961 [0,1,0,0,0,1|2,0,0]=4 5356 B13R1.254 CC(C)(CO)NCc1cccnc1 2230a_100000210608_100000741622 [0,1,0,0,0,1|2,0,0]=4 5357 B13R1.254 CC(C)(CO)NCc1cccnc1 270004a_100000210608_100000209961 [0,1,0,0,0,1|2,0,0]=4 5358 B13R1.254 CC(C)(CO)NCc1ccncc1 207a_100000210608_100000186114 [0,1,0,0,0,1|2,0,0]=4 5359 B13R1.254 CC(C)(CO)NCc1ccncc1 2230a_100000210608_100015193705 [0,1,0,0,0,1|2,0,0]=4 5360 B13R1.254 CCC(C)(C)NCc1ccccc1 207a_100000211385_100015611070 [0,1,0,0,0,1|2,0,0]=4 5361 B13R1.254 CCC(C)(C)NCc1ccccc1 2230a_100000211385_100015291786 [0,1,0,0,0,1|2,0,0]=4 5362 B13R1.254 CCC(C)(C)NCc1ccccc1 270004a_100000211385_100015611070 [0,1,0,0,0,1|2,0,0]=4 5363 B13R1.254 CCC(C)(C)OCc1ccccc1 7a_100000210230_100000211182 [0,1,0,0,0,1|2,0,0]=4 5364 B13R1.254 CCC(C)(C)OCc1ccccc1 7a_100000210790_100000210677 [0,1,0,0,0,1|2,0,0]=4 5365 B13R1.254 CCC(C)(C)SCc1ccccc1 62a_100000032637_100015291786 [0,1,0,0,0,1|2,0,0]=4 5366 B13R1.254 CCC(C)(C)SCc1ccccc1 62a_100000211182_100000032637 [0,1,0,0,0,1|2,0,0]=4 5367 B13R1.254 OCC(F)(F)SCc1ccccc1 62a_100000211182_100011217949 [0,1,0,0,0,1|1,0,0]=3 5368 B13R1.254 OCC(F)(F)SCc1ccccc1 62a_100011217949_100015291786 [0,1,0,0,0,1|1,0,0]=3 5369 B13R1.254 OCC(F)(F)SCc1ccccn1 62a_100000721315_100011217949 [0,1,0,0,0,1|2,0,0]=4 5370 B13R1.254 OCC(F)(F)SCc1ccccn1 62a_100011217949_100000721315 [0,1,0,0,0,1|2,0,0]=4 5371 B13R1.254 OCC(F)(F)SCc1cccnc1 62a_100000741622_100011217949 [0,1,0,0,0,1|2,0,0]=4 5372 B13R1.254 OCC(F)(F)SCc1cccnc1 62a_100011217949_100000741622 [0,1,0,0,0,1|2,0,0]=4 5373 B13R1.254 OCC(F)(F)SCc1ccncc1 62a_100011217949_100015193705 [0,1,0,0,0,1|2,0,0]=4 5374 B13R1.254 OCC(F)(F)SCc1ccncc1 62a_100015193705_100011217949 [0,1,0,0,0,1|2,0,0]=4 5375 B13R1.351 CC(C)C(C)NCc1ccccc1 207a_100000211541_100015611070 [0,1,0,0,0,1|2,0,0]=4 5376 B13R1.351 CC(C)C(C)NCc1ccccc1 2230a_100000211541_100015291786 [0,1,0,0,0,1|2,0,0]=4 5377 B13R1.351 CC(C)C(C)NCc1ccccc1 270004a_100000211541_100015611070 [0,1,0,0,0,1|2,0,0]=4 5378 B13R1.351 CC(C)C(C)OCc1ccccc1 7a_100000748068_100000211182 [0,1,0,0,0,1|2,0,0]=4 5379 B13R1.351 C[C@@H](O)C(=O)CCc1ccccc1 1458a_100000717761_100000765856 [0,1,0,0,0,1|1,0,1]=4 5380 B13R1.351 C[C@@H](O)C(=O)NCc1ccccc1 240690a_100015324214_100000717761 [0,1,0,0,0,1|1,0,1]=4 5381 B13R1.351 C[C@H](NCc1ccccc1)C(=O)O 269956a_100000743915_100015291786 [0,1,0,0,0,1|1,0,1]=4 5382 B13R1.351 C[C@H](O)C(=O)CCc1ccccc1 1458a_217856618621_100000765856 [0,1,0,0,0,1|1,0,1]=4 5383 B13R1.351 C[C@H](O)C(=O)NCc1ccccc1 1626a_100015324214_217856618621 [0,1,0,0,0,1|1,0,1]=4 5384 B13R1.351 C[C@H](O)C(=O)NCc1ccccc1 240690a_100015324214_217856618621 [0,1,0,0,0,1|1,0,1]=4 5385 B13R1.351 O=C(CCc1ccccc1)C(O)O 1458a_100000233687_100000765856 [0,1,0,0,0,1|1,0,1]=4 5386 B13R1.351 O=C(NCc1ccccc1)C(O)O 240690a_100015324214_100000233687 [0,1,0,0,0,1|1,0,1]=4 5387 B13R1.417 C#CC(CC)OCc1ccccc1 34a_100000758843_100015291786 [0,1,0,0,0,1|2,0,0]=4 5388 B13R1.417 C#CC(CC)OCc1ccccc1 7a_100000758843_100000211182 [0,1,0,0,0,1|2,0,0]=4 5389 B13R1.417 C=CC(CC)OCc1ccccc1 34a_100000766422_100015291786 [0,1,0,0,0,1|2,0,0]=4 5390 B13R1.417 C=CC(CC)OCc1ccccc1 7a_100000766422_100000211182 [0,1,0,0,0,1|2,0,0]=4 5391 B13R1.417 C=C[C@@H](CO)NCc1ccccc1 2230a_100016989147_100015291786 [0,1,0,0,0,1|1,0,0]=3 5392 B13R1.417 C=C[C@@H](CO)NCc1ccccc1 270004a_100016989147_100015611070 [0,1,0,0,0,1|1,0,0]=3 5393 B13R1.417 C=C[C@@H](CO)NCc1ccccc1 34a_100016989147_100015291786 [0,1,0,0,0,1|1,0,0]=3 5394 B13R1.417 C=C[C@@H](CO)NCc1ccccn1 2230a_100016989147_100000721315 [0,1,0,0,0,1|2,0,0]=4 5395 B13R1.417 C=C[C@@H](CO)NCc1ccccn1 270004a_100016989147_100000209966 [0,1,0,0,0,1|2,0,0]=4 5396 B13R1.417 C=C[C@@H](CO)NCc1ccccn1 34a_100016989147_100000721315 [0,1,0,0,0,1|2,0,0]=4 5397 B13R1.417 C=C[C@@H](CO)NCc1cccnc1 2230a_100016989147_100000741622 [0,1,0,0,0,1|2,0,0]=4 5398 B13R1.417 C=C[C@@H](CO)NCc1cccnc1 270004a_100016989147_100000209961 [0,1,0,0,0,1|2,0,0]=4 5399 B13R1.417 C=C[C@@H](CO)NCc1cccnc1 34a_100016989147_100000733263 [0,1,0,0,0,1|2,0,0]=4 5400 B13R1.417 C=C[C@@H](CO)NCc1ccncc1 2230a_100016989147_100015193705 [0,1,0,0,0,1|2,0,0]=4 5401 B13R1.417 CCC(CC)CNc1ccccc1 34a_100000106764_100011215472 [0,1,0,0,0,1|2,0,0]=4 5402 B13R1.417 CCC(CC)COc1ccccc1 34a_100000210340_100011215472 [0,1,0,0,0,1|2,0,0]=4 5403 B13R1.417 CCC(CC)COc1ccccc1 7a_100000210340_100011215472 [0,1,0,0,0,1|2,0,0]=4 5404 B13R1.417 CCC(CC)CSc1ccccc1 62a_100000719477_100011215472 [0,1,0,0,0,1|2,0,0]=4 5405 B13R1.417 CCC(CC)CSc1ccccc1 62a_100011215472_100000041952 [0,1,0,0,0,1|2,0,0]=4 5406 B13R1.417 CCC(CC)NCc1ccccc1 207a_100000199018_100015611070 [0,1,0,0,0,1|2,0,0]=4 5407 B13R1.417 CCC(CC)NCc1ccccc1 2230a_100000199018_100015291786 [0,1,0,0,0,1|2,0,0]=4 5408 B13R1.417 CCC(CC)NCc1ccccc1 270004a_100000199018_100015611070 [0,1,0,0,0,1|2,0,0]=4 5409 B13R1.417 CCC(CC)NCc1ccccc1 270004a_100015324214_100000210860 [0,1,0,0,0,1|2,0,0]=4 5410 B13R1.417 CCC(CC)OCc1ccccc1 7a_100000210790_100000210505 [0,1,0,0,0,1|2,0,0]=4 5411 B13R1.417 CCC(CC)OCc1ccccc1 7a_100000688536_100000211182 [0,1,0,0,0,1|2,0,0]=4 5412 B13R1.417 CCC(CC)SCc1ccccc1 62a_100000210505_100015291786 [0,1,0,0,0,1|2,0,0]=4 5413 B13R1.417 CCC(CC)SCc1ccccc1 62a_100000211182_100000210505 [0,1,0,0,0,1|2,0,0]=4 5414 B13R1.417 CCC(CCc1ccccc1)NC 270004a_106832991635_100011279265 [0,1,0,0,0,1|1,0,0]=3 5415 B13R1.417 CC[C@@H](CO)NCc1ccccc1 207a_100000709445_100015611070 [0,1,0,0,0,1|1,0,0]=3 5416 B13R1.417 CC[C@@H](CO)NCc1ccccc1 2230a_100000709445_100015291786 [0,1,0,0,0,1|1,0,0]=3 5417 B13R1.417 CC[C@@H](CO)NCc1ccccc1 270004a_100000709445_100015611070 [0,1,0,0,0,1|1,0,0]=3 5418 B13R1.417 CC[C@@H](CO)NCc1ccccn1 207a_100000709445_100000209966 [0,1,0,0,0,1|2,0,0]=4 5419 B13R1.417 CC[C@@H](CO)NCc1ccccn1 2230a_100000709445_100000721315 [0,1,0,0,0,1|2,0,0]=4 5420 B13R1.417 CC[C@@H](CO)NCc1ccccn1 270004a_100000709445_100000209966 [0,1,0,0,0,1|2,0,0]=4 5421 B13R1.417 CC[C@@H](CO)NCc1cccnc1 207a_100000709445_100000209961 [0,1,0,0,0,1|2,0,0]=4 5422 B13R1.417 CC[C@@H](CO)NCc1cccnc1 2230a_100000709445_100000741622 [0,1,0,0,0,1|2,0,0]=4 5423 B13R1.417 CC[C@@H](CO)NCc1cccnc1 270004a_100000709445_100000209961 [0,1,0,0,0,1|2,0,0]=4 5424 B13R1.417 CC[C@@H](CO)NCc1ccncc1 207a_100000709445_100000186114 [0,1,0,0,0,1|2,0,0]=4 5425 B13R1.417 CC[C@@H](CO)NCc1ccncc1 2230a_100000709445_100015193705 [0,1,0,0,0,1|2,0,0]=4 5426 B13R1.417 COC(CN)COc1ccccc1 34a_100000738913_200000210301 [0,1,0,0,0,1|2,0,0]=4 5427 B13R1.417 ClCC(CCl)OCc1ccccc1 7a_100000737055_100000211182 [0,1,0,0,0,1|2,0,0]=4 5428 B13R1.417 FCC(CF)OCc1ccccc1 34a_100000032261_100015291786 [0,1,0,0,0,1|2,0,0]=4 5429 B13R1.417 FCC(CF)OCc1ccccc1 7a_100000032261_100000211182 [0,1,0,0,0,1|2,0,0]=4 5430 B13R1.417 FC[C@@H](CCl)OCc1ccccc1 34a_100015614560_100015291786 [0,1,0,0,0,1|2,0,0]=4 5431 B13R1.417 FC[C@@H](CCl)OCc1ccccc1 7a_100015614560_100000211182 [0,1,0,0,0,1|2,0,0]=4 5432 B13R1.417 NCC(CN)OCc1ccccc1 34a_100000031598_100015291786 [0,1,0,0,0,1|1,0,0]=3 5433 B13R1.417 NCC(CN)OCc1ccccn1 34a_100000031598_100000721315 [0,1,0,0,0,1|2,0,0]=4 5434 B13R1.417 NCC(CN)OCc1cccnc1 34a_100000031598_100000733263 [0,1,0,0,0,1|2,0,0]=4 5435 B13R1.417 OCC(CO)NCc1ccccc1 207a_100000759517_100015611070 [0,1,0,0,0,1|1,0,0]=3 5436 B13R1.417 OCC(CO)NCc1ccccc1 2230a_100000759517_100015291786 [0,1,0,0,0,1|1,0,0]=3 5437 B13R1.417 OCC(CO)NCc1ccccn1 207a_100000759517_100000209966 [0,1,0,0,0,1|2,0,0]=4 5438 B13R1.417 OCC(CO)NCc1ccccn1 2230a_100000759517_100000721315 [0,1,0,0,0,1|2,0,0]=4 5439 B13R1.417 OCC(CO)NCc1cccnc1 207a_100000759517_100000209961 [0,1,0,0,0,1|2,0,0]=4 5440 B13R1.417 OCC(CO)NCc1cccnc1 2230a_100000759517_100000741622 [0,1,0,0,0,1|2,0,0]=4 5441 B13R1.417 OCC(CO)NCc1ccncc1 207a_100000759517_100000186114 [0,1,0,0,0,1|2,0,0]=4 5442 B13R1.417 OCC(CO)NCc1ccncc1 2230a_100000759517_100015193705 [0,1,0,0,0,1|2,0,0]=4 5443 B13R1.417 [13CH3]OC(CN)COc1ccccc1 34a_100000738913_200025704644 [0,1,0,0,0,1|2,0,0]=4 5444 B13R1.528 CC(CF)OCc1ccccc1Br 34a_100016041109_100000184730 [0,1,0,0,0,1|2,0,0]=4 5445 B13R1.528 CC(CF)OCc1ccccc1Br 7a_100016041109_100000184730 [0,1,0,0,0,1|2,0,0]=4 5446 B13R1.528 CC(CF)OCc1ccccc1Cl 34a_100016041109_100000187162 [0,1,0,0,0,1|2,0,0]=4 5447 B13R1.528 CC(CF)OCc1ccccc1Cl 7a_100016041109_100000187162 [0,1,0,0,0,1|2,0,0]=4 5448 B13R1.528 CC(CF)OCc1ccccc1F 34a_100016041109_100000211605 [0,1,0,0,0,1|2,0,0]=4 5449 B13R1.528 CC(CF)OCc1ccccc1F 7a_100016041109_100000211605 [0,1,0,0,0,1|2,0,0]=4 5450 B13R1.528 CC(CF)OCc1ccccc1I 34a_100016041109_100011215278 [0,1,0,0,0,1|2,0,0]=4 5451 B13R1.528 CC(CF)OCc1ccccc1I 7a_100016041109_100011215278 [0,1,0,0,0,1|2,0,0]=4 5452 B13R1.528 CC(CN)OCc1ccccc1Br 34a_100000210904_100000184730 [0,1,0,0,0,1|2,0,0]=4 5453 B13R1.528 CC(CN)OCc1ccccc1Cl 34a_100000210904_100000187162 [0,1,0,0,0,1|2,0,0]=4 5454 B13R1.528 CC(CN)OCc1ccccc1F 34a_100000210904_100000211605 [0,1,0,0,0,1|2,0,0]=4 5455 B13R1.528 CC(CN)OCc1ccccc1I 34a_100000210904_100011215278 [0,1,0,0,0,1|2,0,0]=4 5456 B13R1.528 CC(CO)CNc1ccncc1Br 27a_100000744482_100000726257 [0,1,0,0,0,1|2,0,0]=4 5457 B13R1.528 CC(CO)CNc1ccncc1F 27a_100000744482_100000035921 [0,1,0,0,0,1|2,0,0]=4 5458 B13R1.528 CC(CO)CNc1ncccc1Br 27a_100000744482_100000696092 [0,1,0,0,0,1|2,0,0]=4 5459 B13R1.528 CC(CO)NCc1ccccc1Br 2230a_100000689332_100012180447 [0,1,0,0,0,1|1,0,0]=3 5460 B13R1.528 CC(CO)NCc1ccccc1Br 34a_100000689332_100012180447 [0,1,0,0,0,1|1,0,0]=3 5461 B13R1.528 CC(CO)NCc1ccccc1Cl 2230a_100000174879_100012180447 [0,1,0,0,0,1|1,0,0]=3 5462 B13R1.528 CC(CO)NCc1ccccc1Cl 34a_100000174879_100012180447 [0,1,0,0,0,1|1,0,0]=3 5463 B13R1.528 CC(CO)NCc1ccccc1F 34a_100000174869_100012180447 [0,1,0,0,0,1|1,0,0]=3 5464 B13R1.528 CC(CO)NCc1ccccc1O 34a_100000185550_100012180447 [0,1,0,0,0,1|1,0,0]=3 5465 B13R1.528 CC(CO)NCc1cccnc1Br 2230a_100009818023_100012180447 [0,1,0,0,0,1|2,0,0]=4 5466 B13R1.528 CC(CO)NCc1cccnc1Br 34a_100009818023_100012180447 [0,1,0,0,0,1|2,0,0]=4 5467 B13R1.528 CC(CO)NCc1cccnc1Cl 2230a_100015189234_100012180447 [0,1,0,0,0,1|2,0,0]=4 5468 B13R1.528 CC(CO)NCc1cccnc1Cl 34a_100015189234_100012180447 [0,1,0,0,0,1|2,0,0]=4 5469 B13R1.528 CC(CO)NCc1cccnc1F 34a_100000724633_100012180447 [0,1,0,0,0,1|2,0,0]=4 5470 B13R1.528 CC(CO)NCc1ccncc1F 34a_100011935246_100012180447 [0,1,0,0,0,1|2,0,0]=4 5471 B13R1.528 CC(CO)NCc1ncccc1Cl 2230a_100015189233_100012180447 [0,1,0,0,0,1|2,0,0]=4 5472 B13R1.528 CC(CO)NCc1ncccc1F 34a_100000690088_100012180447 [0,1,0,0,0,1|2,0,0]=4 5473 B13R1.528 CC(CO)OCc1ccccc1Br 34a_100000756307_100012180447 [0,1,0,0,0,1|1,0,0]=3 5474 B13R1.528 CC(CO)OCc1ccccc1Br 7a_100000756307_100012180447 [0,1,0,0,0,1|1,0,0]=3 5475 B13R1.528 CC(CO)OCc1ccccc1Cl 34a_100000210847_100012180447 [0,1,0,0,0,1|1,0,0]=3 5476 B13R1.528 CC(CO)OCc1ccccc1Cl 7a_100000210847_100012180447 [0,1,0,0,0,1|1,0,0]=3 5477 B13R1.528 CC(CO)OCc1ccccc1F 34a_100000211962_100012180447 [0,1,0,0,0,1|1,0,0]=3 5478 B13R1.528 CC(CO)OCc1ccccc1F 7a_100000211962_100012180447 [0,1,0,0,0,1|1,0,0]=3 5479 B13R1.528 CC(CO)OCc1ccccc1I 34a_100000187465_100012180447 [0,1,0,0,0,1|1,0,0]=3 5480 B13R1.528 CC(CO)OCc1ccccc1I 7a_100000187465_100012180447 [0,1,0,0,0,1|1,0,0]=3 5481 B13R1.528 CC(CO)OCc1ccccc1N 34a_100000212039_100012180447 [0,1,0,0,0,1|1,0,0]=3 5482 B13R1.528 CC(CO)OCc1cccnc1Br 34a_100000719692_100012180447 [0,1,0,0,0,1|2,0,0]=4 5483 B13R1.528 CC(CO)OCc1cccnc1Br 7a_100000719692_100012180447 [0,1,0,0,0,1|2,0,0]=4 5484 B13R1.528 CC(CO)OCc1cccnc1Cl 34a_100000748726_100012180447 [0,1,0,0,0,1|2,0,0]=4 5485 B13R1.528 CC(CO)OCc1cccnc1Cl 7a_100000748726_100012180447 [0,1,0,0,0,1|2,0,0]=4 5486 B13R1.528 CC(CO)OCc1cccnc1F 34a_100000079888_100012180447 [0,1,0,0,0,1|2,0,0]=4 5487 B13R1.528 CC(CO)OCc1cccnc1F 7a_100000079888_100012180447 [0,1,0,0,0,1|2,0,0]=4 5488 B13R1.528 CC(CO)OCc1ccncc1F 34a_100012172863_100012180447 [0,1,0,0,0,1|2,0,0]=4 5489 B13R1.528 CC(CO)OCc1cnccc1Cl 34a_100000117392_100012180447 [0,1,0,0,0,1|2,0,0]=4 5490 B13R1.528 CC(CO)OCc1ncccc1Br 34a_100011996772_100012180447 [0,1,0,0,0,1|2,0,0]=4 5491 B13R1.528 CC(CO)OCc1ncccc1Cl 34a_100012002383_100012180447 [0,1,0,0,0,1|2,0,0]=4 5492 B13R1.528 CC(CO)OCc1ncccc1F 34a_100011934865_100012180447 [0,1,0,0,0,1|2,0,0]=4 5493 B13R1.528 CC(CO)OCc1ncccc1N 34a_114873767017_100012180447 [0,1,0,0,0,1|2,0,0]=4 5494 B13R1.528 CC(CO)SCc1ccccc1Br 62a_100012180447_100000184730 [0,1,0,0,0,1|1,0,0]=3 5495 B13R1.528 CC(CO)SCc1ccccc1Cl 62a_100012180447_100000187162 [0,1,0,0,0,1|1,0,0]=3 5496 B13R1.528 CC(CO)SCc1ccccc1F 62a_100012180447_100000211605 [0,1,0,0,0,1|1,0,0]=3 5497 B13R1.528 CC(CO)SCc1ccccc1I 62a_100012180447_100011216222 [0,1,0,0,0,1|1,0,0]=3 5498 B13R1.528 CC(CO)SCc1cccnc1Br 62a_100012180447_100010140945 [0,1,0,0,0,1|2,0,0]=4 5499 B13R1.528 CC(CO)SCc1cccnc1Cl 62a_100012180447_100000045678 [0,1,0,0,0,1|2,0,0]=4 5500 B13R1.528 CC(CO)SCc1cccnc1F 62a_100012180447_100000099810 [0,1,0,0,0,1|2,0,0]=4 5501 B13R1.528 CC(CO)SCc1ccncc1Cl 62a_100012180447_100000763264 [0,1,0,0,0,1|2,0,0]=4 5502 B13R1.528 CC(CO)SCc1ncccc1Br 62a_100012180447_100025702911 [0,1,0,0,0,1|2,0,0]=4 5503 B13R1.528 CC(CO)SCc1ncccc1Cl 62a_100012180447_100000099807 [0,1,0,0,0,1|2,0,0]=4 5504 B13R1.528 CC(CO)SCc1ncccc1F 62a_100012180447_100000104219 [0,1,0,0,0,1|2,0,0]=4 5505 B13R1.528 CC(CO)SCc1ncccc1O 62a_100012180447_200020655725 [0,1,0,0,0,1|2,0,0]=4 5506 B13R1.528 CCC(C)CNc1ccccc1Br 34a_100000210017_100000748023 [0,1,0,0,0,1|2,0,0]=4 5507 B13R1.528 CCC(C)CNc1ccccc1C 34a_100015192222_100000748023 [0,1,0,0,0,1|2,0,0]=4 5508 B13R1.528 CCC(C)CNc1ccccc1Cl 34a_100000185783_100000748023 [0,1,0,0,0,1|2,0,0]=4 5509 B13R1.528 CCC(C)CNc1ccccc1F 34a_100000210422_100000748023 [0,1,0,0,0,1|2,0,0]=4 5510 B13R1.528 CCC(C)CNc1ccccc1I 34a_100000210053_100000748023 [0,1,0,0,0,1|2,0,0]=4 5511 B13R1.528 CCC(C)CNc1ccccc1O 34a_100000185747_100000748023 [0,1,0,0,0,1|2,0,0]=4 5512 B13R1.528 CCC(C)COc1ccccc1Br 34a_100000181306_100000748023 [0,1,0,0,0,1|2,0,0]=4 5513 B13R1.528 CCC(C)COc1ccccc1Br 7a_100000181306_100000748023 [0,1,0,0,0,1|2,0,0]=4 5514 B13R1.528 CCC(C)COc1ccccc1C 34a_100000210338_100000748023 [0,1,0,0,0,1|2,0,0]=4 5515 B13R1.528 CCC(C)COc1ccccc1C 7a_100000210338_100000748023 [0,1,0,0,0,1|2,0,0]=4 5516 B13R1.528 CCC(C)COc1ccccc1Cl 34a_100000210172_100000748023 [0,1,0,0,0,1|2,0,0]=4 5517 B13R1.528 CCC(C)COc1ccccc1Cl 7a_100000210172_100000748023 [0,1,0,0,0,1|2,0,0]=4 5518 B13R1.528 CCC(C)COc1ccccc1F 34a_100000210171_100000748023 [0,1,0,0,0,1|2,0,0]=4 5519 B13R1.528 CCC(C)COc1ccccc1F 7a_100000210171_100000748023 [0,1,0,0,0,1|2,0,0]=4 5520 B13R1.528 CCC(C)COc1ccccc1I 34a_100000739446_100000748023 [0,1,0,0,0,1|2,0,0]=4 5521 B13R1.528 CCC(C)COc1ccccc1I 7a_100000739446_100000748023 [0,1,0,0,0,1|2,0,0]=4 5522 B13R1.528 CCC(C)COc1ccccc1N 34a_100000185747_100000748023 [0,1,0,0,0,1|2,0,0]=4 5523 B13R1.528 CCC(C)COc1ccccc1N 7a_100000185747_100000748023 [0,1,0,0,0,1|2,0,0]=4 5524 B13R1.528 CCC(C)CSc1ccccc1Br 62a_100000695589_100000748023 [0,1,0,0,0,1|2,0,0]=4 5525 B13R1.528 CCC(C)CSc1ccccc1Br 62a_100000748023_100000695589 [0,1,0,0,0,1|2,0,0]=4 5526 B13R1.528 CCC(C)CSc1ccccc1C 62a_100000210755_100000748023 [0,1,0,0,0,1|2,0,0]=4 5527 B13R1.528 CCC(C)CSc1ccccc1C 62a_100000748023_100000210755 [0,1,0,0,0,1|2,0,0]=4 5528 B13R1.528 CCC(C)CSc1ccccc1Cl 62a_100000748023_100000764095 [0,1,0,0,0,1|2,0,0]=4 5529 B13R1.528 CCC(C)CSc1ccccc1Cl 62a_100000764095_100000748023 [0,1,0,0,0,1|2,0,0]=4 5530 B13R1.528 CCC(C)CSc1ccccc1F 62a_100000748023_100011215700 [0,1,0,0,0,1|2,0,0]=4 5531 B13R1.528 CCC(C)CSc1ccccc1F 62a_100011215700_100000748023 [0,1,0,0,0,1|2,0,0]=4 5532 B13R1.528 CCC(C)CSc1ccccc1N 62a_100000210017_100000748023 [0,1,0,0,0,1|2,0,0]=4 5533 B13R1.528 CCC(C)CSc1ccccc1N 62a_100000748023_100000210017 [0,1,0,0,0,1|2,0,0]=4 5534 B13R1.528 CCC(C)CSc1ccccc1O 62a_100000739446_100000748023 [0,1,0,0,0,1|2,0,0]=4 5535 B13R1.528 CCC(C)CSc1ccccc1O 62a_100000748023_100000739446 [0,1,0,0,0,1|2,0,0]=4 5536 B13R1.528 CCC(C)NCc1ccccc1Br 207a_100000209981_100000211189 [0,1,0,0,0,1|2,0,0]=4 5537 B13R1.528 CCC(C)NCc1ccccc1Br 2230a_100000209981_100000184730 [0,1,0,0,0,1|2,0,0]=4 5538 B13R1.528 CCC(C)NCc1ccccc1Br 2230a_100000689332_100000758301 [0,1,0,0,0,1|2,0,0]=4 5539 B13R1.528 CCC(C)NCc1ccccc1Br 270004a_100000209981_100000211189 [0,1,0,0,0,1|2,0,0]=4 5540 B13R1.528 CCC(C)NCc1ccccc1Br 34a_100000689332_100011215416 [0,1,0,0,0,1|2,0,0]=4 5541 B13R1.528 CCC(C)NCc1ccccc1C 207a_100000209981_100000211143 [0,1,0,0,0,1|2,0,0]=4 5542 B13R1.528 CCC(C)NCc1ccccc1C 2230a_100000209981_100000211839 [0,1,0,0,0,1|2,0,0]=4 5543 B13R1.528 CCC(C)NCc1ccccc1C 270004a_100000209981_100000211143 [0,1,0,0,0,1|2,0,0]=4 5544 B13R1.528 CCC(C)NCc1ccccc1C 34a_100000174972_100011215416 [0,1,0,0,0,1|2,0,0]=4 5545 B13R1.528 CCC(C)NCc1ccccc1Cl 207a_100000209981_100000210073 [0,1,0,0,0,1|2,0,0]=4 5546 B13R1.528 CCC(C)NCc1ccccc1Cl 2230a_100000174879_100000758301 [0,1,0,0,0,1|2,0,0]=4 5547 B13R1.528 CCC(C)NCc1ccccc1Cl 2230a_100000209981_100000187162 [0,1,0,0,0,1|2,0,0]=4 5548 B13R1.528 CCC(C)NCc1ccccc1Cl 270004a_100000209981_100000210073 [0,1,0,0,0,1|2,0,0]=4 5549 B13R1.528 CCC(C)NCc1ccccc1Cl 34a_100000174879_100011215416 [0,1,0,0,0,1|2,0,0]=4 5550 B13R1.528 CCC(C)NCc1ccccc1F 207a_100000209981_100000210811 [0,1,0,0,0,1|2,0,0]=4 5551 B13R1.528 CCC(C)NCc1ccccc1F 2230a_100000209981_100000211605 [0,1,0,0,0,1|2,0,0]=4 5552 B13R1.528 CCC(C)NCc1ccccc1F 270004a_100000209981_100000210811 [0,1,0,0,0,1|2,0,0]=4 5553 B13R1.528 CCC(C)NCc1ccccc1F 34a_100000174869_100011215416 [0,1,0,0,0,1|2,0,0]=4 5554 B13R1.528 CCC(C)NCc1ccccc1I 207a_100000209981_100000010305 [0,1,0,0,0,1|2,0,0]=4 5555 B13R1.528 CCC(C)NCc1ccccc1I 2230a_100000209981_100011215278 [0,1,0,0,0,1|2,0,0]=4 5556 B13R1.528 CCC(C)NCc1ccccc1I 270004a_100000209981_100000010305 [0,1,0,0,0,1|2,0,0]=4 5557 B13R1.528 CCC(C)NCc1ccccc1O 271570a_203496583355_100015185290 [0,1,0,0,0,1|2,0,0]=4 5558 B13R1.528 CCC(C)NCc1ccccc1O 34a_100000185550_100011215416 [0,1,0,0,0,1|2,0,0]=4 5559 B13R1.528 CCC(C)OCc1ccccc1Br 34a_100000756307_100011215416 [0,1,0,0,0,1|2,0,0]=4 5560 B13R1.528 CCC(C)OCc1ccccc1Br 7a_100000210228_100000184730 [0,1,0,0,0,1|2,0,0]=4 5561 B13R1.528 CCC(C)OCc1ccccc1Br 7a_100000756307_100000758301 [0,1,0,0,0,1|2,0,0]=4 5562 B13R1.528 CCC(C)OCc1ccccc1C 34a_100000698903_100011215416 [0,1,0,0,0,1|2,0,0]=4 5563 B13R1.528 CCC(C)OCc1ccccc1C 7a_100000210228_100000211839 [0,1,0,0,0,1|2,0,0]=4 5564 B13R1.528 CCC(C)OCc1ccccc1C 7a_100000698903_100000758301 [0,1,0,0,0,1|2,0,0]=4 5565 B13R1.528 CCC(C)OCc1ccccc1Cl 34a_100000210847_100011215416 [0,1,0,0,0,1|2,0,0]=4 5566 B13R1.528 CCC(C)OCc1ccccc1Cl 7a_100000210228_100000187162 [0,1,0,0,0,1|2,0,0]=4 5567 B13R1.528 CCC(C)OCc1ccccc1Cl 7a_100000210847_100000758301 [0,1,0,0,0,1|2,0,0]=4 5568 B13R1.528 CCC(C)OCc1ccccc1F 34a_100000211962_100011215416 [0,1,0,0,0,1|2,0,0]=4 5569 B13R1.528 CCC(C)OCc1ccccc1F 7a_100000210228_100000211605 [0,1,0,0,0,1|2,0,0]=4 5570 B13R1.528 CCC(C)OCc1ccccc1F 7a_100000211962_100000758301 [0,1,0,0,0,1|2,0,0]=4 5571 B13R1.528 CCC(C)OCc1ccccc1I 34a_100000187465_100011215416 [0,1,0,0,0,1|2,0,0]=4 5572 B13R1.528 CCC(C)OCc1ccccc1I 7a_100000187465_100000758301 [0,1,0,0,0,1|2,0,0]=4 5573 B13R1.528 CCC(C)OCc1ccccc1I 7a_100000210228_100011215278 [0,1,0,0,0,1|2,0,0]=4 5574 B13R1.528 CCC(C)OCc1ccccc1N 34a_100000212039_100011215416 [0,1,0,0,0,1|2,0,0]=4 5575 B13R1.528 CCC(C)SCc1ccccc1Br 62a_100000184730_100000758301 [0,1,0,0,0,1|2,0,0]=4 5576 B13R1.528 CCC(C)SCc1ccccc1Br 62a_100000758301_100000184730 [0,1,0,0,0,1|2,0,0]=4 5577 B13R1.528 CCC(C)SCc1ccccc1C 62a_100000211839_100000758301 [0,1,0,0,0,1|2,0,0]=4 5578 B13R1.528 CCC(C)SCc1ccccc1C 62a_100000758301_100000211839 [0,1,0,0,0,1|2,0,0]=4 5579 B13R1.528 CCC(C)SCc1ccccc1Cl 62a_100000187162_100000758301 [0,1,0,0,0,1|2,0,0]=4 5580 B13R1.528 CCC(C)SCc1ccccc1Cl 62a_100000758301_100000187162 [0,1,0,0,0,1|2,0,0]=4 5581 B13R1.528 CCC(C)SCc1ccccc1F 62a_100000211605_100000758301 [0,1,0,0,0,1|2,0,0]=4 5582 B13R1.528 CCC(C)SCc1ccccc1F 62a_100000758301_100000211605 [0,1,0,0,0,1|2,0,0]=4 5583 B13R1.528 CCC(C)SCc1ccccc1I 62a_100000758301_100011216222 [0,1,0,0,0,1|2,0,0]=4 5584 B13R1.528 CCC(C)SCc1ccccc1I 62a_100011216222_100000758301 [0,1,0,0,0,1|2,0,0]=4 5585 B13R1.528 CCC(O)CNc1ccccc1Br 34a_100000210017_100011218378 [0,1,0,0,0,1|2,0,0]=4 5586 B13R1.528 CCC(O)CNc1ccccc1C 34a_100015192222_100011218378 [0,1,0,0,0,1|2,0,0]=4 5587 B13R1.528 CCC(O)CNc1ccccc1Cl 34a_100000185783_100011218378 [0,1,0,0,0,1|2,0,0]=4 5588 B13R1.528 CCC(O)CNc1ccccc1F 34a_100000210422_100011218378 [0,1,0,0,0,1|2,0,0]=4 5589 B13R1.528 CCC(O)CNc1ccccc1I 34a_100000210053_100011218378 [0,1,0,0,0,1|2,0,0]=4 5590 B13R1.528 CCC(O)CNc1ccccc1O 34a_100000185747_100011218378 [0,1,0,0,0,1|2,0,0]=4 5591 B13R1.528 CCC(O)COc1ccccc1Br 34a_100000181306_100011218378 [0,1,0,0,0,1|2,0,0]=4 5592 B13R1.528 CCC(O)COc1ccccc1Br 7a_100000181306_100011218378 [0,1,0,0,0,1|2,0,0]=4 5593 B13R1.528 CCC(O)COc1ccccc1C 34a_100000210338_100011218378 [0,1,0,0,0,1|2,0,0]=4 5594 B13R1.528 CCC(O)COc1ccccc1C 7a_100000210338_100011218378 [0,1,0,0,0,1|2,0,0]=4 5595 B13R1.528 CCC(O)COc1ccccc1Cl 34a_100000210172_100011218378 [0,1,0,0,0,1|2,0,0]=4 5596 B13R1.528 CCC(O)COc1ccccc1Cl 7a_100000210172_100011218378 [0,1,0,0,0,1|2,0,0]=4 5597 B13R1.528 CCC(O)COc1ccccc1F 34a_100000210171_100011218378 [0,1,0,0,0,1|2,0,0]=4 5598 B13R1.528 CCC(O)COc1ccccc1F 7a_100000210171_100011218378 [0,1,0,0,0,1|2,0,0]=4 5599 B13R1.528 CCC(O)COc1ccccc1I 34a_100000739446_100011218378 [0,1,0,0,0,1|2,0,0]=4 5600 B13R1.528 CCC(O)COc1ccccc1I 7a_100000739446_100011218378 [0,1,0,0,0,1|2,0,0]=4 5601 B13R1.528 CCC(O)COc1ccccc1N 34a_100000185747_100011218378 [0,1,0,0,0,1|2,0,0]=4 5602 B13R1.528 CCC(O)COc1ccccc1N 7a_100000185747_100011218378 [0,1,0,0,0,1|2,0,0]=4 5603 B13R1.528 CCC(O)CSc1ccccc1Br 62a_100000695589_100011218378 [0,1,0,0,0,1|2,0,0]=4 5604 B13R1.528 CCC(O)CSc1ccccc1Br 62a_100011218378_100000695589 [0,1,0,0,0,1|2,0,0]=4 5605 B13R1.528 CCC(O)CSc1ccccc1C 62a_100000210755_100011218378 [0,1,0,0,0,1|2,0,0]=4 5606 B13R1.528 CCC(O)CSc1ccccc1C 62a_100011218378_100000210755 [0,1,0,0,0,1|2,0,0]=4 5607 B13R1.528 CCC(O)CSc1ccccc1Cl 62a_100000764095_100011218378 [0,1,0,0,0,1|2,0,0]=4 5608 B13R1.528 CCC(O)CSc1ccccc1Cl 62a_100011218378_100000764095 [0,1,0,0,0,1|2,0,0]=4 5609 B13R1.528 CCC(O)CSc1ccccc1F 62a_100011215700_100011218378 [0,1,0,0,0,1|2,0,0]=4 5610 B13R1.528 CCC(O)CSc1ccccc1F 62a_100011218378_100011215700 [0,1,0,0,0,1|2,0,0]=4 5611 B13R1.528 CCC(O)CSc1ccccc1N 62a_100000210017_100011218378 [0,1,0,0,0,1|2,0,0]=4 5612 B13R1.528 CCC(O)CSc1ccccc1N 62a_100011218378_100000210017 [0,1,0,0,0,1|2,0,0]=4 5613 B13R1.528 CCC(O)CSc1ccccc1O 62a_100000739446_100011218378 [0,1,0,0,0,1|2,0,0]=4 5614 B13R1.528 CCC(O)CSc1ccccc1O 62a_100011218378_100000739446 [0,1,0,0,0,1|2,0,0]=4 5615 B13R1.528 CC[C@H](C)CNc1ccccc1Br 34a_100000210017_100009816398 [0,1,0,0,0,1|2,0,0]=4 5616 B13R1.528 CC[C@H](C)CNc1ccccc1C 34a_100015192222_100009816398 [0,1,0,0,0,1|2,0,0]=4 5617 B13R1.528 CC[C@H](C)CNc1ccccc1Cl 34a_100000185783_100009816398 [0,1,0,0,0,1|2,0,0]=4 5618 B13R1.528 CC[C@H](C)CNc1ccccc1F 34a_100000210422_100009816398 [0,1,0,0,0,1|2,0,0]=4 5619 B13R1.528 CC[C@H](C)CNc1ccccc1I 34a_100000210053_100009816398 [0,1,0,0,0,1|2,0,0]=4 5620 B13R1.528 CC[C@H](C)CNc1ccccc1O 34a_100000185747_100009816398 [0,1,0,0,0,1|2,0,0]=4 5621 B13R1.528 CC[C@H](C)COc1ccccc1Br 34a_100000181306_100009816398 [0,1,0,0,0,1|2,0,0]=4 5622 B13R1.528 CC[C@H](C)COc1ccccc1Br 7a_100000181306_100009816398 [0,1,0,0,0,1|2,0,0]=4 5623 B13R1.528 CC[C@H](C)COc1ccccc1C 34a_100000210338_100009816398 [0,1,0,0,0,1|2,0,0]=4 5624 B13R1.528 CC[C@H](C)COc1ccccc1C 7a_100000210338_100009816398 [0,1,0,0,0,1|2,0,0]=4 5625 B13R1.528 CC[C@H](C)COc1ccccc1Cl 34a_100000210172_100009816398 [0,1,0,0,0,1|2,0,0]=4 5626 B13R1.528 CC[C@H](C)COc1ccccc1Cl 7a_100000210172_100009816398 [0,1,0,0,0,1|2,0,0]=4 5627 B13R1.528 CC[C@H](C)COc1ccccc1F 34a_100000210171_100009816398 [0,1,0,0,0,1|2,0,0]=4 5628 B13R1.528 CC[C@H](C)COc1ccccc1F 7a_100000210171_100009816398 [0,1,0,0,0,1|2,0,0]=4 5629 B13R1.528 CC[C@H](C)COc1ccccc1I 34a_100000739446_100009816398 [0,1,0,0,0,1|2,0,0]=4 5630 B13R1.528 CC[C@H](C)COc1ccccc1I 7a_100000739446_100009816398 [0,1,0,0,0,1|2,0,0]=4 5631 B13R1.528 CC[C@H](C)COc1ccccc1N 34a_100000185747_100009816398 [0,1,0,0,0,1|2,0,0]=4 5632 B13R1.528 CC[C@H](C)COc1ccccc1N 7a_100000185747_100009816398 [0,1,0,0,0,1|2,0,0]=4 5633 B13R1.528 CC[C@H](C)CSc1ccccc1Br 62a_100000695589_100009816398 [0,1,0,0,0,1|2,0,0]=4 5634 B13R1.528 CC[C@H](C)CSc1ccccc1Br 62a_100009816398_100000695589 [0,1,0,0,0,1|2,0,0]=4 5635 B13R1.528 CC[C@H](C)CSc1ccccc1C 62a_100000210755_100009816398 [0,1,0,0,0,1|2,0,0]=4 5636 B13R1.528 CC[C@H](C)CSc1ccccc1C 62a_100009816398_100000210755 [0,1,0,0,0,1|2,0,0]=4 5637 B13R1.528 CC[C@H](C)CSc1ccccc1Cl 62a_100000764095_100009816398 [0,1,0,0,0,1|2,0,0]=4 5638 B13R1.528 CC[C@H](C)CSc1ccccc1Cl 62a_100009816398_100000764095 [0,1,0,0,0,1|2,0,0]=4 5639 B13R1.528 CC[C@H](C)CSc1ccccc1F 62a_100009816398_100011215700 [0,1,0,0,0,1|2,0,0]=4 5640 B13R1.528 CC[C@H](C)CSc1ccccc1F 62a_100011215700_100009816398 [0,1,0,0,0,1|2,0,0]=4 5641 B13R1.528 CC[C@H](C)CSc1ccccc1N 62a_100000210017_100009816398 [0,1,0,0,0,1|2,0,0]=4 5642 B13R1.528 CC[C@H](C)CSc1ccccc1N 62a_100009816398_100000210017 [0,1,0,0,0,1|2,0,0]=4 5643 B13R1.528 CC[C@H](C)CSc1ccccc1O 62a_100000739446_100009816398 [0,1,0,0,0,1|2,0,0]=4 5644 B13R1.528 CC[C@H](C)CSc1ccccc1O 62a_100009816398_100000739446 [0,1,0,0,0,1|2,0,0]=4 5645 B13R1.528 C[C@@H](CO)CNc1ccccc1Br 34a_100000210017_100000059175 [0,1,0,0,0,1|1,0,0]=3 5646 B13R1.528 C[C@@H](CO)CNc1ccccc1Cl 34a_100000185783_100000059175 [0,1,0,0,0,1|1,0,0]=3 5647 B13R1.528 C[C@@H](CO)CNc1ccccc1F 34a_100000210422_100000059175 [0,1,0,0,0,1|1,0,0]=3 5648 B13R1.528 C[C@@H](CO)CNc1ccccc1I 34a_100000210053_100000059175 [0,1,0,0,0,1|1,0,0]=3 5649 B13R1.528 C[C@@H](CO)CNc1ccccc1O 34a_100000185747_100000059175 [0,1,0,0,0,1|1,0,0]=3 5650 B13R1.528 C[C@@H](CO)COc1cccc[n+]1[O-] 7a_100000211761_100000059175 [0,1,0,0,0,1|2,0,0]=4 5651 B13R1.528 C[C@@H](CO)COc1ccccc1Br 34a_100000181306_100000059175 [0,1,0,0,0,1|1,0,0]=3 5652 B13R1.528 C[C@@H](CO)COc1ccccc1Br 7a_100000181306_100000059175 [0,1,0,0,0,1|1,0,0]=3 5653 B13R1.528 C[C@@H](CO)COc1ccccc1Cl 34a_100000210172_100000059175 [0,1,0,0,0,1|1,0,0]=3 5654 B13R1.528 C[C@@H](CO)COc1ccccc1Cl 7a_100000210172_100000059175 [0,1,0,0,0,1|1,0,0]=3 5655 B13R1.528 C[C@@H](CO)COc1ccccc1F 34a_100000210171_100000059175 [0,1,0,0,0,1|1,0,0]=3 5656 B13R1.528 C[C@@H](CO)COc1ccccc1F 7a_100000210171_100000059175 [0,1,0,0,0,1|1,0,0]=3 5657 B13R1.528 C[C@@H](CO)COc1ccccc1I 34a_100000739446_100000059175 [0,1,0,0,0,1|1,0,0]=3 5658 B13R1.528 C[C@@H](CO)COc1ccccc1I 7a_100000739446_100000059175 [0,1,0,0,0,1|1,0,0]=3 5659 B13R1.528 C[C@@H](CO)COc1ccccc1N 34a_100000185747_100000059175 [0,1,0,0,0,1|1,0,0]=3 5660 B13R1.528 C[C@@H](CO)COc1ccccc1N 7a_100000185747_100000059175 [0,1,0,0,0,1|1,0,0]=3 5661 B13R1.528 C[C@@H](CO)COc1cccnc1Br 34a_100000744436_100000059175 [0,1,0,0,0,1|2,0,0]=4 5662 B13R1.528 C[C@@H](CO)COc1cccnc1Br 7a_100000744436_100000059175 [0,1,0,0,0,1|2,0,0]=4 5663 B13R1.528 C[C@@H](CO)COc1cccnc1Cl 34a_100000757616_100000059175 [0,1,0,0,0,1|2,0,0]=4 5664 B13R1.528 C[C@@H](CO)COc1cccnc1Cl 7a_100000757616_100000059175 [0,1,0,0,0,1|2,0,0]=4 5665 B13R1.528 C[C@@H](CO)COc1cccnc1F 34a_100000061740_100000059175 [0,1,0,0,0,1|2,0,0]=4 5666 B13R1.528 C[C@@H](CO)COc1cccnc1F 7a_100000061740_100000059175 [0,1,0,0,0,1|2,0,0]=4 5667 B13R1.528 C[C@@H](CO)COc1cccnc1I 34a_100000034122_100000059175 [0,1,0,0,0,1|2,0,0]=4 5668 B13R1.528 C[C@@H](CO)COc1cccnc1I 7a_100000034122_100000059175 [0,1,0,0,0,1|2,0,0]=4 5669 B13R1.528 C[C@@H](CO)COc1cccnc1N 34a_100000211975_100000059175 [0,1,0,0,0,1|2,0,0]=4 5670 B13R1.528 C[C@@H](CO)COc1cccnc1N 7a_100000211975_100000059175 [0,1,0,0,0,1|2,0,0]=4 5671 B13R1.528 C[C@@H](CO)COc1cccoc1=O 34a_100000077404_100000059175 [0,1,0,0,0,1|2,0,0]=4 5672 B13R1.528 C[C@@H](CO)COc1cccoc1=O 7a_100000077404_100000059175 [0,1,0,0,0,1|2,0,0]=4 5673 B13R1.528 C[C@@H](CO)COc1ccncc1Br 34a_100011996408_100000059175 [0,1,0,0,0,1|2,0,0]=4 5674 B13R1.528 C[C@@H](CO)COc1ccncc1Cl 34a_100011997054_100000059175 [0,1,0,0,0,1|2,0,0]=4 5675 B13R1.528 C[C@@H](CO)COc1ccncc1F 34a_200000081243_100000059175 [0,1,0,0,0,1|2,0,0]=4 5676 B13R1.528 C[C@@H](CO)COc1cnccc1Cl 34a_100011996695_100000059175 [0,1,0,0,0,1|2,0,0]=4 5677 B13R1.528 C[C@@H](CO)COc1cnccc1I 34a_100000050107_100000059175 [0,1,0,0,0,1|2,0,0]=4 5678 B13R1.528 C[C@@H](CO)COc1cnccc1N 34a_100000753702_100000059175 [0,1,0,0,0,1|2,0,0]=4 5679 B13R1.528 C[C@@H](CO)COc1coccc1=O 34a_100000060831_100000059175 [0,1,0,0,0,1|2,0,0]=4 5680 B13R1.528 C[C@@H](CO)COc1ncccc1Cl 34a_100011290957_100000059175 [0,1,0,0,0,1|2,0,0]=4 5681 B13R1.528 C[C@@H](CO)COc1ncccc1F 34a_100011219419_100000059175 [0,1,0,0,0,1|2,0,0]=4 5682 B13R1.528 C[C@@H](CO)COc1ncccc1N 34a_100000746358_100000059175 [0,1,0,0,0,1|2,0,0]=4 5683 B13R1.528 C[C@@H](CO)CSc1c[nH]ccc1=O 62a_100000059175_100009998708 [0,1,0,0,0,1|2,0,0]=4 5684 B13R1.528 C[C@@H](CO)CSc1c[nH]ccc1=O 62a_100009998708_100000059175 [0,1,0,0,0,1|2,0,0]=4 5685 B13R1.528 C[C@@H](CO)CSc1c[nH]ccc1=S 62a_100000059175_200012280681 [0,1,0,0,0,1|2,0,0]=4 5686 B13R1.528 C[C@@H](CO)CSc1c[nH]ccc1=S 62a_200012280681_100000059175 [0,1,0,0,0,1|2,0,0]=4 5687 B13R1.528 C[C@@H](CO)CSc1cccc[n+]1C 62a_100000059175_100000212160 [0,1,0,0,0,1|2,0,0]=4 5688 B13R1.528 C[C@@H](CO)CSc1cccc[n+]1[O-] 62a_100000059175_200000042595 [0,1,0,0,0,1|2,0,0]=4 5689 B13R1.528 C[C@@H](CO)CSc1ccccc1Br 62a_100000059175_100000695589 [0,1,0,0,0,1|1,0,0]=3 5690 B13R1.528 C[C@@H](CO)CSc1ccccc1Br 62a_100000695589_100000059175 [0,1,0,0,0,1|1,0,0]=3 5691 B13R1.528 C[C@@H](CO)CSc1ccccc1Cl 62a_100000059175_100000764095 [0,1,0,0,0,1|1,0,0]=3 5692 B13R1.528 C[C@@H](CO)CSc1ccccc1Cl 62a_100000764095_100000059175 [0,1,0,0,0,1|1,0,0]=3 5693 B13R1.528 C[C@@H](CO)CSc1ccccc1F 62a_100000059175_100011215700 [0,1,0,0,0,1|1,0,0]=3 5694 B13R1.528 C[C@@H](CO)CSc1ccccc1F 62a_100011215700_100000059175 [0,1,0,0,0,1|1,0,0]=3 5695 B13R1.528 C[C@@H](CO)CSc1ccccc1N 62a_100000059175_100000210017 [0,1,0,0,0,1|1,0,0]=3 5696 B13R1.528 C[C@@H](CO)CSc1ccccc1N 62a_100000210017_100000059175 [0,1,0,0,0,1|1,0,0]=3 5697 B13R1.528 C[C@@H](CO)CSc1ccccc1O 62a_100000059175_100000739446 [0,1,0,0,0,1|1,0,0]=3 5698 B13R1.528 C[C@@H](CO)CSc1ccccc1O 62a_100000739446_100000059175 [0,1,0,0,0,1|1,0,0]=3 5699 B13R1.528 C[C@@H](CO)CSc1cccnc1Br 62a_100000059175_100010202626 [0,1,0,0,0,1|2,0,0]=4 5700 B13R1.528 C[C@@H](CO)CSc1cccnc1Br 62a_100010202626_100000059175 [0,1,0,0,0,1|2,0,0]=4 5701 B13R1.528 C[C@@H](CO)CSc1cccnc1Cl 62a_100000036424_100000059175 [0,1,0,0,0,1|2,0,0]=4 5702 B13R1.528 C[C@@H](CO)CSc1cccnc1Cl 62a_100000059175_100000036424 [0,1,0,0,0,1|2,0,0]=4 5703 B13R1.528 C[C@@H](CO)CSc1cccnc1F 62a_100000059175_100009816115 [0,1,0,0,0,1|2,0,0]=4 5704 B13R1.528 C[C@@H](CO)CSc1cccnc1F 62a_100009816115_100000059175 [0,1,0,0,0,1|2,0,0]=4 5705 B13R1.528 C[C@@H](CO)CSc1cccnc1N 62a_100000045569_100000059175 [0,1,0,0,0,1|2,0,0]=4 5706 B13R1.528 C[C@@H](CO)CSc1cccnc1N 62a_100000059175_100000045569 [0,1,0,0,0,1|2,0,0]=4 5707 B13R1.528 C[C@@H](CO)CSc1cccnc1O 62a_100000059175_100000760158 [0,1,0,0,0,1|2,0,0]=4 5708 B13R1.528 C[C@@H](CO)CSc1cccnc1O 62a_100000760158_100000059175 [0,1,0,0,0,1|2,0,0]=4 5709 B13R1.528 C[C@@H](CO)CSc1ccncc1Br 62a_100000059175_100000726257 [0,1,0,0,0,1|2,0,0]=4 5710 B13R1.528 C[C@@H](CO)CSc1ccncc1Br 62a_100000726257_100000059175 [0,1,0,0,0,1|2,0,0]=4 5711 B13R1.528 C[C@@H](CO)CSc1ccncc1Cl 62a_100000059175_100000708259 [0,1,0,0,0,1|2,0,0]=4 5712 B13R1.528 C[C@@H](CO)CSc1ccncc1Cl 62a_100000708259_100000059175 [0,1,0,0,0,1|2,0,0]=4 5713 B13R1.528 C[C@@H](CO)CSc1ccncc1F 62a_100000047030_100000059175 [0,1,0,0,0,1|2,0,0]=4 5714 B13R1.528 C[C@@H](CO)CSc1ccncc1F 62a_100000059175_100000047030 [0,1,0,0,0,1|2,0,0]=4 5715 B13R1.528 C[C@@H](CO)CSc1ccncc1N 62a_100000059175_100000756074 [0,1,0,0,0,1|2,0,0]=4 5716 B13R1.528 C[C@@H](CO)CSc1ccncc1N 62a_100000756074_100000059175 [0,1,0,0,0,1|2,0,0]=4 5717 B13R1.528 C[C@@H](CO)CSc1ccncc1O 62a_100000059175_100009817591 [0,1,0,0,0,1|2,0,0]=4 5718 B13R1.528 C[C@@H](CO)CSc1ccncc1O 62a_100009817591_100000059175 [0,1,0,0,0,1|2,0,0]=4 5719 B13R1.528 C[C@@H](CO)CSc1cnccc1Br 62a_100000059175_100010138639 [0,1,0,0,0,1|2,0,0]=4 5720 B13R1.528 C[C@@H](CO)CSc1cnccc1Br 62a_100010138639_100000059175 [0,1,0,0,0,1|2,0,0]=4 5721 B13R1.528 C[C@@H](CO)CSc1cnccc1Cl 62a_100000059175_100009995489 [0,1,0,0,0,1|2,0,0]=4 5722 B13R1.528 C[C@@H](CO)CSc1cnccc1Cl 62a_100009995489_100000059175 [0,1,0,0,0,1|2,0,0]=4 5723 B13R1.528 C[C@@H](CO)CSc1cnccc1F 62a_100000059175_100009820683 [0,1,0,0,0,1|2,0,0]=4 5724 B13R1.528 C[C@@H](CO)CSc1cnccc1F 62a_100009820683_100000059175 [0,1,0,0,0,1|2,0,0]=4 5725 B13R1.528 C[C@@H](CO)CSc1cnccc1N 62a_100000047001_100000059175 [0,1,0,0,0,1|2,0,0]=4 5726 B13R1.528 C[C@@H](CO)CSc1cnccc1N 62a_100000059175_100000047001 [0,1,0,0,0,1|2,0,0]=4 5727 B13R1.528 C[C@@H](CO)CSc1ncccc1Br 62a_100000059175_100000696092 [0,1,0,0,0,1|2,0,0]=4 5728 B13R1.528 C[C@@H](CO)CSc1ncccc1Br 62a_100000696092_100000059175 [0,1,0,0,0,1|2,0,0]=4 5729 B13R1.528 C[C@@H](CO)CSc1ncccc1Cl 62a_100000059175_100011356963 [0,1,0,0,0,1|2,0,0]=4 5730 B13R1.528 C[C@@H](CO)CSc1ncccc1Cl 62a_100011356963_100000059175 [0,1,0,0,0,1|2,0,0]=4 5731 B13R1.528 C[C@@H](CO)CSc1ncccc1F 62a_100000059175_100000685392 [0,1,0,0,0,1|2,0,0]=4 5732 B13R1.528 C[C@@H](CO)CSc1ncccc1F 62a_100000685392_100000059175 [0,1,0,0,0,1|2,0,0]=4 5733 B13R1.528 C[C@@H](CO)CSc1ncccc1N 62a_100000059175_100000688686 [0,1,0,0,0,1|2,0,0]=4 5734 B13R1.528 C[C@@H](CO)CSc1ncccc1N 62a_100000688686_100000059175 [0,1,0,0,0,1|2,0,0]=4 5735 B13R1.528 C[C@@H](CO)CSc1ncccc1O 62a_100000034122_100000059175 [0,1,0,0,0,1|2,0,0]=4 5736 B13R1.528 C[C@@H](CO)CSc1ncccc1O 62a_100000059175_100000034122 [0,1,0,0,0,1|2,0,0]=4 5737 B13R1.528 C[C@H](CF)NCc1ccccc1Br 207a_100102880703_100000211189 [0,1,0,0,0,1|2,0,0]=4 5738 B13R1.528 C[C@H](CF)NCc1ccccc1Br 270004a_100102880703_100000211189 [0,1,0,0,0,1|2,0,0]=4 5739 B13R1.528 C[C@H](CF)NCc1ccccc1Cl 207a_100102880703_100000210073 [0,1,0,0,0,1|2,0,0]=4 5740 B13R1.528 C[C@H](CF)NCc1ccccc1Cl 270004a_100102880703_100000210073 [0,1,0,0,0,1|2,0,0]=4 5741 B13R1.528 C[C@H](CF)NCc1ccccc1F 207a_100102880703_100000210811 [0,1,0,0,0,1|2,0,0]=4 5742 B13R1.528 C[C@H](CF)NCc1ccccc1F 270004a_100102880703_100000210811 [0,1,0,0,0,1|2,0,0]=4 5743 B13R1.528 C[C@H](CF)NCc1ccccc1I 207a_100102880703_100000010305 [0,1,0,0,0,1|2,0,0]=4 5744 B13R1.528 C[C@H](CF)NCc1ccccc1I 270004a_100102880703_100000010305 [0,1,0,0,0,1|2,0,0]=4 5745 B13R1.528 C[C@H](CO)NCc1ccccc1Br 207a_100000737577_100000211189 [0,1,0,0,0,1|1,0,0]=3 5746 B13R1.528 C[C@H](CO)NCc1ccccc1Br 2230a_100000737577_100000184730 [0,1,0,0,0,1|1,0,0]=3 5747 B13R1.528 C[C@H](CO)NCc1ccccc1Br 270004a_100000737577_100000211189 [0,1,0,0,0,1|1,0,0]=3 5748 B13R1.528 C[C@H](CO)NCc1ccccc1Cl 207a_100000737577_100000210073 [0,1,0,0,0,1|1,0,0]=3 5749 B13R1.528 C[C@H](CO)NCc1ccccc1Cl 2230a_100000737577_100000187162 [0,1,0,0,0,1|1,0,0]=3 5750 B13R1.528 C[C@H](CO)NCc1ccccc1Cl 270004a_100000737577_100000210073 [0,1,0,0,0,1|1,0,0]=3 5751 B13R1.528 C[C@H](CO)NCc1ccccc1F 207a_100000737577_100000210811 [0,1,0,0,0,1|1,0,0]=3 5752 B13R1.528 C[C@H](CO)NCc1ccccc1F 2230a_100000737577_100000211605 [0,1,0,0,0,1|1,0,0]=3 5753 B13R1.528 C[C@H](CO)NCc1ccccc1F 270004a_100000737577_100000210811 [0,1,0,0,0,1|1,0,0]=3 5754 B13R1.528 C[C@H](CO)NCc1ccccc1I 207a_100000737577_100000010305 [0,1,0,0,0,1|1,0,0]=3 5755 B13R1.528 C[C@H](CO)NCc1ccccc1I 2230a_100000737577_100011215278 [0,1,0,0,0,1|1,0,0]=3 5756 B13R1.528 C[C@H](CO)NCc1ccccc1I 270004a_100000737577_100000010305 [0,1,0,0,0,1|1,0,0]=3 5757 B13R1.528 C[C@H](CO)NCc1cccnc1Br 2230a_100000737577_100010140945 [0,1,0,0,0,1|2,0,0]=4 5758 B13R1.528 C[C@H](CO)NCc1cccnc1Cl 2230a_100000737577_100000045678 [0,1,0,0,0,1|2,0,0]=4 5759 B13R1.528 C[C@H](CO)NCc1cccnc1F 2230a_100000737577_100000099810 [0,1,0,0,0,1|2,0,0]=4 5760 B13R1.528 C[C@H](CO)NCc1cccnc1O 207a_100000737577_100011998315 [0,1,0,0,0,1|2,0,0]=4 5761 B13R1.528 C[C@H](CO)NCc1cccnc1O 270004a_100000737577_100011998315 [0,1,0,0,0,1|2,0,0]=4 5762 B13R1.528 C[C@H](CO)NCc1ccncc1Br 270004a_100000737577_100000755692 [0,1,0,0,0,1|2,0,0]=4 5763 B13R1.528 C[C@H](CO)NCc1ccncc1Cl 207a_100000737577_100011934409 [0,1,0,0,0,1|2,0,0]=4 5764 B13R1.528 C[C@H](CO)NCc1ccncc1Cl 2230a_100000737577_100000763264 [0,1,0,0,0,1|2,0,0]=4 5765 B13R1.528 C[C@H](CO)NCc1ccncc1Cl 270004a_100000737577_100011934409 [0,1,0,0,0,1|2,0,0]=4 5766 B13R1.528 C[C@H](CO)NCc1cnccc1Br 270004a_100000737577_100009816821 [0,1,0,0,0,1|2,0,0]=4 5767 B13R1.528 C[C@H](CO)NCc1cnccc1Cl 270004a_100000737577_100000050567 [0,1,0,0,0,1|2,0,0]=4 5768 B13R1.528 C[C@H](CO)NCc1ncccc1Br 207a_100000737577_100011934733 [0,1,0,0,0,1|2,0,0]=4 5769 B13R1.528 C[C@H](CO)NCc1ncccc1Br 2230a_100000737577_100025702911 [0,1,0,0,0,1|2,0,0]=4 5770 B13R1.528 C[C@H](CO)NCc1ncccc1Br 270004a_100000737577_100011934733 [0,1,0,0,0,1|2,0,0]=4 5771 B13R1.528 C[C@H](CO)NCc1ncccc1Cl 207a_100000737577_100012001307 [0,1,0,0,0,1|2,0,0]=4 5772 B13R1.528 C[C@H](CO)NCc1ncccc1Cl 2230a_100000737577_100000099807 [0,1,0,0,0,1|2,0,0]=4 5773 B13R1.528 C[C@H](CO)NCc1ncccc1Cl 270004a_100000737577_100012001307 [0,1,0,0,0,1|2,0,0]=4 5774 B13R1.528 C[C@H](CO)NCc1ncccc1F 207a_100000737577_100011934734 [0,1,0,0,0,1|2,0,0]=4 5775 B13R1.528 C[C@H](CO)NCc1ncccc1F 2230a_100000737577_100000104219 [0,1,0,0,0,1|2,0,0]=4 5776 B13R1.528 C[C@H](CO)NCc1ncccc1F 270004a_100000737577_100011934734 [0,1,0,0,0,1|2,0,0]=4 5777 B13R1.528 C[C@H](CO)SCc1ccccc1Br 62a_100000184730_100016084084 [0,1,0,0,0,1|1,0,0]=3 5778 B13R1.528 C[C@H](CO)SCc1ccccc1Br 62a_100016084084_100000184730 [0,1,0,0,0,1|1,0,0]=3 5779 B13R1.528 C[C@H](CO)SCc1ccccc1Cl 62a_100000187162_100016084084 [0,1,0,0,0,1|1,0,0]=3 5780 B13R1.528 C[C@H](CO)SCc1ccccc1Cl 62a_100016084084_100000187162 [0,1,0,0,0,1|1,0,0]=3 5781 B13R1.528 C[C@H](CO)SCc1ccccc1F 62a_100000211605_100016084084 [0,1,0,0,0,1|1,0,0]=3 5782 B13R1.528 C[C@H](CO)SCc1ccccc1F 62a_100016084084_100000211605 [0,1,0,0,0,1|1,0,0]=3 5783 B13R1.528 C[C@H](CO)SCc1ccccc1I 62a_100011216222_100016084084 [0,1,0,0,0,1|1,0,0]=3 5784 B13R1.528 C[C@H](CO)SCc1ccccc1I 62a_100016084084_100011216222 [0,1,0,0,0,1|1,0,0]=3 5785 B13R1.528 C[C@H](CO)SCc1cccnc1Br 62a_100010140945_100016084084 [0,1,0,0,0,1|2,0,0]=4 5786 B13R1.528 C[C@H](CO)SCc1cccnc1Br 62a_100016084084_100010140945 [0,1,0,0,0,1|2,0,0]=4 5787 B13R1.528 C[C@H](CO)SCc1cccnc1Cl 62a_100000045678_100016084084 [0,1,0,0,0,1|2,0,0]=4 5788 B13R1.528 C[C@H](CO)SCc1cccnc1Cl 62a_100016084084_100000045678 [0,1,0,0,0,1|2,0,0]=4 5789 B13R1.528 C[C@H](CO)SCc1cccnc1F 62a_100000099810_100016084084 [0,1,0,0,0,1|2,0,0]=4 5790 B13R1.528 C[C@H](CO)SCc1cccnc1F 62a_100016084084_100000099810 [0,1,0,0,0,1|2,0,0]=4 5791 B13R1.528 C[C@H](CO)SCc1ccncc1Cl 62a_100000763264_100016084084 [0,1,0,0,0,1|2,0,0]=4 5792 B13R1.528 C[C@H](CO)SCc1ccncc1Cl 62a_100016084084_100000763264 [0,1,0,0,0,1|2,0,0]=4 5793 B13R1.528 C[C@H](CO)SCc1ncccc1Br 62a_100016084084_100025702911 [0,1,0,0,0,1|2,0,0]=4 5794 B13R1.528 C[C@H](CO)SCc1ncccc1Br 62a_100025702911_100016084084 [0,1,0,0,0,1|2,0,0]=4 5795 B13R1.528 C[C@H](CO)SCc1ncccc1Cl 62a_100000099807_100016084084 [0,1,0,0,0,1|2,0,0]=4 5796 B13R1.528 C[C@H](CO)SCc1ncccc1Cl 62a_100016084084_100000099807 [0,1,0,0,0,1|2,0,0]=4 5797 B13R1.528 C[C@H](CO)SCc1ncccc1F 62a_100000104219_100016084084 [0,1,0,0,0,1|2,0,0]=4 5798 B13R1.528 C[C@H](CO)SCc1ncccc1F 62a_100016084084_100000104219 [0,1,0,0,0,1|2,0,0]=4 5799 B13R1.528 C[C@H](CO)SCc1ncccc1O 62a_100016084084_200020655725 [0,1,0,0,0,1|2,0,0]=4 5800 B13R1.528 C[C@H](CO)SCc1ncccc1O 62a_200020655725_100016084084 [0,1,0,0,0,1|2,0,0]=4 5801 B13R1.528 C[n+]1ccccc1SCC(O)CO 62a_100011219619_100000212160 [0,1,0,0,0,1|2,0,0]=4 5802 B13R1.528 C[n+]1ccccc1SC[C@@H](O)CO 62a_100009815848_100000212160 [0,1,0,0,0,1|2,0,0]=4 5803 B13R1.528 Cc1ccccc1CCC(=O)CO 1458a_100000210174_100011713688 [0,1,0,0,0,1|1,0,1]=4 5804 B13R1.528 Cc1ccccc1CNC(=O)CO 240690a_100000174972_100000210174 [0,1,0,0,0,1|1,0,1]=4 5805 B13R1.528 Cc1ccccc1CNC(=O)CO 527a_100000174972_100000210174 [0,1,0,0,0,1|1,0,1]=4 5806 B13R1.528 Cc1ccccc1CNC(C)CO 34a_100000174972_100012180447 [0,1,0,0,0,1|1,0,0]=3 5807 B13R1.528 Cc1ccccc1CN[C@H](C)CF 207a_100102880703_100000211143 [0,1,0,0,0,1|2,0,0]=4 5808 B13R1.528 Cc1ccccc1CN[C@H](C)CF 270004a_100102880703_100000211143 [0,1,0,0,0,1|2,0,0]=4 5809 B13R1.528 Cc1ccccc1CN[C@H](C)CO 207a_100000737577_100000211143 [0,1,0,0,0,1|1,0,0]=3 5810 B13R1.528 Cc1ccccc1CN[C@H](C)CO 2230a_100000737577_100000211839 [0,1,0,0,0,1|1,0,0]=3 5811 B13R1.528 Cc1ccccc1CN[C@H](C)CO 270004a_100000737577_100000211143 [0,1,0,0,0,1|1,0,0]=3 5812 B13R1.528 Cc1ccccc1COC(C)CF 34a_100016041109_100000211839 [0,1,0,0,0,1|2,0,0]=4 5813 B13R1.528 Cc1ccccc1COC(C)CF 7a_100016041109_100000211839 [0,1,0,0,0,1|2,0,0]=4 5814 B13R1.528 Cc1ccccc1COC(C)CN 34a_100000210904_100000211839 [0,1,0,0,0,1|2,0,0]=4 5815 B13R1.528 Cc1ccccc1COC(C)CO 34a_100000698903_100012180447 [0,1,0,0,0,1|1,0,0]=3 5816 B13R1.528 Cc1ccccc1COC(C)CO 7a_100000698903_100012180447 [0,1,0,0,0,1|1,0,0]=3 5817 B13R1.528 Cc1ccccc1CSC(C)CO 62a_100012180447_100000211839 [0,1,0,0,0,1|1,0,0]=3 5818 B13R1.528 Cc1ccccc1CS[C@H](C)CO 62a_100000211839_100016084084 [0,1,0,0,0,1|1,0,0]=3 5819 B13R1.528 Cc1ccccc1CS[C@H](C)CO 62a_100016084084_100000211839 [0,1,0,0,0,1|1,0,0]=3 5820 B13R1.528 Cc1ccccc1NCC(O)CO 34a_100015192222_100011219619 [0,1,0,0,0,1|1,0,0]=3 5821 B13R1.528 Cc1ccccc1NC[C@@H](C)CO 34a_100015192222_100000059175 [0,1,0,0,0,1|1,0,0]=3 5822 B13R1.528 Cc1ccccc1NC[C@@H](O)CF 34a_100015192222_100015614560 [0,1,0,0,0,1|2,0,0]=4 5823 B13R1.528 Cc1ccccc1NC[C@@H](O)CO 34a_100015192222_100009815848 [0,1,0,0,0,1|1,0,0]=3 5824 B13R1.528 Cc1ccccc1OCC(O)CO 34a_100000210338_100011219619 [0,1,0,0,0,1|1,0,0]=3 5825 B13R1.528 Cc1ccccc1OCC(O)CO 7a_100000210338_100011219619 [0,1,0,0,0,1|1,0,0]=3 5826 B13R1.528 Cc1ccccc1OC[C@@H](C)CO 34a_100000210338_100000059175 [0,1,0,0,0,1|1,0,0]=3 5827 B13R1.528 Cc1ccccc1OC[C@@H](C)CO 7a_100000210338_100000059175 [0,1,0,0,0,1|1,0,0]=3 5828 B13R1.528 Cc1ccccc1OC[C@@H](O)CF 34a_100000210338_100015614560 [0,1,0,0,0,1|2,0,0]=4 5829 B13R1.528 Cc1ccccc1OC[C@@H](O)CF 7a_100000210338_100015614560 [0,1,0,0,0,1|2,0,0]=4 5830 B13R1.528 Cc1ccccc1OC[C@@H](O)CO 34a_100000210338_100009815848 [0,1,0,0,0,1|1,0,0]=3 5831 B13R1.528 Cc1ccccc1OC[C@@H](O)CO 7a_100000210338_100009815848 [0,1,0,0,0,1|1,0,0]=3 5832 B13R1.528 Cc1ccccc1SCC(O)CO 62a_100000210755_100011219619 [0,1,0,0,0,1|1,0,0]=3 5833 B13R1.528 Cc1ccccc1SCC(O)CO 62a_100011219619_100000210755 [0,1,0,0,0,1|1,0,0]=3 5834 B13R1.528 Cc1ccccc1SC[C@@H](C)CO 62a_100000059175_100000210755 [0,1,0,0,0,1|1,0,0]=3 5835 B13R1.528 Cc1ccccc1SC[C@@H](C)CO 62a_100000210755_100000059175 [0,1,0,0,0,1|1,0,0]=3 5836 B13R1.528 Cc1ccccc1SC[C@@H](O)CF 62a_100000210755_100015614560 [0,1,0,0,0,1|2,0,0]=4 5837 B13R1.528 Cc1ccccc1SC[C@@H](O)CF 62a_100015614560_100000210755 [0,1,0,0,0,1|2,0,0]=4 5838 B13R1.528 Cc1ccccc1SC[C@@H](O)CO 62a_100000210755_100009815848 [0,1,0,0,0,1|1,0,0]=3 5839 B13R1.528 Cc1ccccc1SC[C@@H](O)CO 62a_100009815848_100000210755 [0,1,0,0,0,1|1,0,0]=3 5840 B13R1.528 Cc1cccnc1CNC(C)CO 34a_100011223789_100012180447 [0,1,0,0,0,1|2,0,0]=4 5841 B13R1.528 Cc1cccnc1CN[C@H](C)CO 207a_100000737577_100000698913 [0,1,0,0,0,1|2,0,0]=4 5842 B13R1.528 Cc1cccnc1CN[C@H](C)CO 2230a_100000737577_100000696600 [0,1,0,0,0,1|2,0,0]=4 5843 B13R1.528 Cc1cccnc1CN[C@H](C)CO 270004a_100000737577_100000698913 [0,1,0,0,0,1|2,0,0]=4 5844 B13R1.528 Cc1cccnc1COC(C)CO 34a_100000698912_100012180447 [0,1,0,0,0,1|2,0,0]=4 5845 B13R1.528 Cc1cccnc1CSC(C)CO 62a_100012180447_100000696600 [0,1,0,0,0,1|2,0,0]=4 5846 B13R1.528 Cc1cccnc1CS[C@H](C)CO 62a_100000696600_100016084084 [0,1,0,0,0,1|2,0,0]=4 5847 B13R1.528 Cc1cccnc1CS[C@H](C)CO 62a_100016084084_100000696600 [0,1,0,0,0,1|2,0,0]=4 5848 B13R1.528 Cc1cccnc1SCC(O)CO 62a_100000751373_100011219619 [0,1,0,0,0,1|2,0,0]=4 5849 B13R1.528 Cc1cccnc1SCC(O)CO 62a_100011219619_100000751373 [0,1,0,0,0,1|2,0,0]=4 5850 B13R1.528 Cc1cccnc1SC[C@@H](C)CO 62a_100000059175_100000751373 [0,1,0,0,0,1|2,0,0]=4 5851 B13R1.528 Cc1cccnc1SC[C@@H](C)CO 62a_100000751373_100000059175 [0,1,0,0,0,1|2,0,0]=4 5852 B13R1.528 Cc1cccnc1SC[C@@H](O)CO 62a_100000751373_100009815848 [0,1,0,0,0,1|2,0,0]=4 5853 B13R1.528 Cc1cccnc1SC[C@@H](O)CO 62a_100009815848_100000751373 [0,1,0,0,0,1|2,0,0]=4 5854 B13R1.528 Cc1ccncc1CN[C@H](C)CO 207a_100000737577_100000685662 [0,1,0,0,0,1|2,0,0]=4 5855 B13R1.528 Cc1ccncc1CN[C@H](C)CO 2230a_100000737577_100000690890 [0,1,0,0,0,1|2,0,0]=4 5856 B13R1.528 Cc1ccncc1CN[C@H](C)CO 270004a_100000737577_100000685662 [0,1,0,0,0,1|2,0,0]=4 5857 B13R1.528 Cc1ccncc1COC(C)CO 34a_100011996381_100012180447 [0,1,0,0,0,1|2,0,0]=4 5858 B13R1.528 Cc1ccncc1CSC(C)CO 62a_100012180447_100000690890 [0,1,0,0,0,1|2,0,0]=4 5859 B13R1.528 Cc1ccncc1CS[C@H](C)CO 62a_100000690890_100016084084 [0,1,0,0,0,1|2,0,0]=4 5860 B13R1.528 Cc1ccncc1CS[C@H](C)CO 62a_100016084084_100000690890 [0,1,0,0,0,1|2,0,0]=4 5861 B13R1.528 Cc1ccncc1OCC(O)CO 34a_100011997053_100011219619 [0,1,0,0,0,1|2,0,0]=4 5862 B13R1.528 Cc1ccncc1OCC(O)CO 7a_100011997053_100011219619 [0,1,0,0,0,1|2,0,0]=4 5863 B13R1.528 Cc1ccncc1OC[C@@H](C)CO 34a_100011997053_100000059175 [0,1,0,0,0,1|2,0,0]=4 5864 B13R1.528 Cc1ccncc1OC[C@@H](C)CO 7a_100011997053_100000059175 [0,1,0,0,0,1|2,0,0]=4 5865 B13R1.528 Cc1ccncc1OC[C@@H](O)CO 34a_100011997053_100009815848 [0,1,0,0,0,1|2,0,0]=4 5866 B13R1.528 Cc1ccncc1OC[C@@H](O)CO 7a_100011997053_100009815848 [0,1,0,0,0,1|2,0,0]=4 5867 B13R1.528 Cc1ccncc1SCC(O)CO 62a_100000761580_100011219619 [0,1,0,0,0,1|2,0,0]=4 5868 B13R1.528 Cc1ccncc1SCC(O)CO 62a_100011219619_100000761580 [0,1,0,0,0,1|2,0,0]=4 5869 B13R1.528 Cc1ccncc1SC[C@@H](C)CO 62a_100000059175_100000761580 [0,1,0,0,0,1|2,0,0]=4 5870 B13R1.528 Cc1ccncc1SC[C@@H](C)CO 62a_100000761580_100000059175 [0,1,0,0,0,1|2,0,0]=4 5871 B13R1.528 Cc1ccncc1SC[C@@H](O)CO 62a_100000761580_100009815848 [0,1,0,0,0,1|2,0,0]=4 5872 B13R1.528 Cc1ccncc1SC[C@@H](O)CO 62a_100009815848_100000761580 [0,1,0,0,0,1|2,0,0]=4 5873 B13R1.528 Cc1cnccc1CN[C@H](C)CO 2230a_100000737577_100020672808 [0,1,0,0,0,1|2,0,0]=4 5874 B13R1.528 Cc1cnccc1COC(C)CO 34a_100011997032_100012180447 [0,1,0,0,0,1|2,0,0]=4 5875 B13R1.528 Cc1cnccc1CSC(C)CO 62a_100012180447_100020672808 [0,1,0,0,0,1|2,0,0]=4 5876 B13R1.528 Cc1cnccc1CS[C@H](C)CO 62a_100016084084_100020672808 [0,1,0,0,0,1|2,0,0]=4 5877 B13R1.528 Cc1cnccc1CS[C@H](C)CO 62a_100020672808_100016084084 [0,1,0,0,0,1|2,0,0]=4 5878 B13R1.528 Cc1cnccc1NCC(C)CO 27a_100000744482_100000765111 [0,1,0,0,0,1|2,0,0]=4 5879 B13R1.528 Cc1cnccc1NC[C@@H](F)CO 27a_100015665980_100000765111 [0,1,0,0,0,1|2,0,0]=4 5880 B13R1.528 Cc1cnccc1NC[C@H](O)CO 27a_100020644852_100000765111 [0,1,0,0,0,1|2,0,0]=4 5881 B13R1.528 Cc1cnccc1OCC(O)CO 34a_100000694293_100011219619 [0,1,0,0,0,1|2,0,0]=4 5882 B13R1.528 Cc1cnccc1OC[C@@H](C)CO 34a_100000694293_100000059175 [0,1,0,0,0,1|2,0,0]=4 5883 B13R1.528 Cc1cnccc1OC[C@@H](O)CO 34a_100000694293_100009815848 [0,1,0,0,0,1|2,0,0]=4 5884 B13R1.528 Cc1cnccc1SCC(O)CO 62a_100000765111_100011219619 [0,1,0,0,0,1|2,0,0]=4 5885 B13R1.528 Cc1cnccc1SCC(O)CO 62a_100011219619_100000765111 [0,1,0,0,0,1|2,0,0]=4 5886 B13R1.528 Cc1cnccc1SC[C@@H](C)CO 62a_100000059175_100000765111 [0,1,0,0,0,1|2,0,0]=4 5887 B13R1.528 Cc1cnccc1SC[C@@H](C)CO 62a_100000765111_100000059175 [0,1,0,0,0,1|2,0,0]=4 5888 B13R1.528 Cc1cnccc1SC[C@@H](O)CO 62a_100000765111_100009815848 [0,1,0,0,0,1|2,0,0]=4 5889 B13R1.528 Cc1cnccc1SC[C@@H](O)CO 62a_100009815848_100000765111 [0,1,0,0,0,1|2,0,0]=4 5890 B13R1.528 Cc1ncccc1CN[C@H](C)CO 207a_100000737577_100000751968 [0,1,0,0,0,1|2,0,0]=4 5891 B13R1.528 Cc1ncccc1CN[C@H](C)CO 2230a_100000737577_100000732876 [0,1,0,0,0,1|2,0,0]=4 5892 B13R1.528 Cc1ncccc1CN[C@H](C)CO 270004a_100000737577_100000751968 [0,1,0,0,0,1|2,0,0]=4 5893 B13R1.528 Cc1ncccc1COC(C)CO 34a_100000729262_100012180447 [0,1,0,0,0,1|2,0,0]=4 5894 B13R1.528 Cc1ncccc1COC(C)CO 7a_100000729262_100012180447 [0,1,0,0,0,1|2,0,0]=4 5895 B13R1.528 Cc1ncccc1CSC(C)CO 62a_100012180447_100000732876 [0,1,0,0,0,1|2,0,0]=4 5896 B13R1.528 Cc1ncccc1CS[C@H](C)CO 62a_100000732876_100016084084 [0,1,0,0,0,1|2,0,0]=4 5897 B13R1.528 Cc1ncccc1CS[C@H](C)CO 62a_100016084084_100000732876 [0,1,0,0,0,1|2,0,0]=4 5898 B13R1.528 Cc1ncccc1OCC(O)CO 34a_100000745507_100011219619 [0,1,0,0,0,1|2,0,0]=4 5899 B13R1.528 Cc1ncccc1OCC(O)CO 7a_100000745507_100011219619 [0,1,0,0,0,1|2,0,0]=4 5900 B13R1.528 Cc1ncccc1OC[C@@H](C)CO 34a_100000745507_100000059175 [0,1,0,0,0,1|2,0,0]=4 5901 B13R1.528 Cc1ncccc1OC[C@@H](C)CO 7a_100000745507_100000059175 [0,1,0,0,0,1|2,0,0]=4 5902 B13R1.528 Cc1ncccc1OC[C@@H](O)CO 34a_100000745507_100009815848 [0,1,0,0,0,1|2,0,0]=4 5903 B13R1.528 Cc1ncccc1OC[C@@H](O)CO 7a_100000745507_100009815848 [0,1,0,0,0,1|2,0,0]=4 5904 B13R1.528 Cc1ncccc1SCC(O)CO 62a_100000751574_100011219619 [0,1,0,0,0,1|2,0,0]=4 5905 B13R1.528 Cc1ncccc1SCC(O)CO 62a_100011219619_100000751574 [0,1,0,0,0,1|2,0,0]=4 5906 B13R1.528 Cc1ncccc1SC[C@@H](C)CO 62a_100000059175_100000751574 [0,1,0,0,0,1|2,0,0]=4 5907 B13R1.528 Cc1ncccc1SC[C@@H](C)CO 62a_100000751574_100000059175 [0,1,0,0,0,1|2,0,0]=4 5908 B13R1.528 Cc1ncccc1SC[C@@H](O)CO 62a_100000751574_100009815848 [0,1,0,0,0,1|2,0,0]=4 5909 B13R1.528 Cc1ncccc1SC[C@@H](O)CO 62a_100009815848_100000751574 [0,1,0,0,0,1|2,0,0]=4 5910 B13R1.528 Nc1ccccc1OCC(O)CO 34a_100000185747_100011219619 [0,1,0,0,0,1|1,0,0]=3 5911 B13R1.528 Nc1ccccc1OCC(O)CO 7a_100000185747_100011219619 [0,1,0,0,0,1|1,0,0]=3 5912 B13R1.528 Nc1ccccc1OC[C@@H](O)CF 34a_100000185747_100015614560 [0,1,0,0,0,1|2,0,0]=4 5913 B13R1.528 Nc1ccccc1OC[C@@H](O)CF 7a_100000185747_100015614560 [0,1,0,0,0,1|2,0,0]=4 5914 B13R1.528 Nc1ccccc1OC[C@@H](O)CO 34a_100000185747_100009815848 [0,1,0,0,0,1|1,0,0]=3 5915 B13R1.528 Nc1ccccc1OC[C@@H](O)CO 7a_100000185747_100009815848 [0,1,0,0,0,1|1,0,0]=3 5916 B13R1.528 Nc1ccccc1SCC(O)CO 62a_100000210017_100011219619 [0,1,0,0,0,1|1,0,0]=3 5917 B13R1.528 Nc1ccccc1SCC(O)CO 62a_100011219619_100000210017 [0,1,0,0,0,1|1,0,0]=3 5918 B13R1.528 Nc1ccccc1SC[C@@H](O)CF 62a_100000210017_100015614560 [0,1,0,0,0,1|2,0,0]=4 5919 B13R1.528 Nc1ccccc1SC[C@@H](O)CF 62a_100015614560_100000210017 [0,1,0,0,0,1|2,0,0]=4 5920 B13R1.528 Nc1ccccc1SC[C@@H](O)CO 62a_100000210017_100009815848 [0,1,0,0,0,1|1,0,0]=3 5921 B13R1.528 Nc1ccccc1SC[C@@H](O)CO 62a_100009815848_100000210017 [0,1,0,0,0,1|1,0,0]=3 5922 B13R1.528 Nc1cccnc1OCC(O)CO 34a_100000746358_100011219619 [0,1,0,0,0,1|2,0,0]=4 5923 B13R1.528 Nc1cccnc1OC[C@@H](O)CO 34a_100000746358_100009815848 [0,1,0,0,0,1|2,0,0]=4 5924 B13R1.528 Nc1cccnc1SCC(O)CO 62a_100000688686_100011219619 [0,1,0,0,0,1|2,0,0]=4 5925 B13R1.528 Nc1cccnc1SCC(O)CO 62a_100011219619_100000688686 [0,1,0,0,0,1|2,0,0]=4 5926 B13R1.528 Nc1cccnc1SC[C@@H](O)CO 62a_100000688686_100009815848 [0,1,0,0,0,1|2,0,0]=4 5927 B13R1.528 Nc1cccnc1SC[C@@H](O)CO 62a_100009815848_100000688686 [0,1,0,0,0,1|2,0,0]=4 5928 B13R1.528 Nc1ccncc1OCC(O)CO 34a_100000753702_100011219619 [0,1,0,0,0,1|2,0,0]=4 5929 B13R1.528 Nc1ccncc1OC[C@@H](O)CO 34a_100000753702_100009815848 [0,1,0,0,0,1|2,0,0]=4 5930 B13R1.528 Nc1ccncc1SCC(O)CO 62a_100000047001_100011219619 [0,1,0,0,0,1|2,0,0]=4 5931 B13R1.528 Nc1ccncc1SCC(O)CO 62a_100011219619_100000047001 [0,1,0,0,0,1|2,0,0]=4 5932 B13R1.528 Nc1ccncc1SC[C@@H](O)CO 62a_100000047001_100009815848 [0,1,0,0,0,1|2,0,0]=4 5933 B13R1.528 Nc1ccncc1SC[C@@H](O)CO 62a_100009815848_100000047001 [0,1,0,0,0,1|2,0,0]=4 5934 B13R1.528 Nc1cnccc1SCC(O)CO 62a_100000756074_100011219619 [0,1,0,0,0,1|2,0,0]=4 5935 B13R1.528 Nc1cnccc1SCC(O)CO 62a_100011219619_100000756074 [0,1,0,0,0,1|2,0,0]=4 5936 B13R1.528 Nc1cnccc1SC[C@@H](O)CO 62a_100000756074_100009815848 [0,1,0,0,0,1|2,0,0]=4 5937 B13R1.528 Nc1cnccc1SC[C@@H](O)CO 62a_100009815848_100000756074 [0,1,0,0,0,1|2,0,0]=4 5938 B13R1.528 Nc1ncccc1OCC(O)CO 34a_100000211975_100011219619 [0,1,0,0,0,1|2,0,0]=4 5939 B13R1.528 Nc1ncccc1OCC(O)CO 7a_100000211975_100011219619 [0,1,0,0,0,1|2,0,0]=4 5940 B13R1.528 Nc1ncccc1OC[C@@H](O)CO 34a_100000211975_100009815848 [0,1,0,0,0,1|2,0,0]=4 5941 B13R1.528 Nc1ncccc1OC[C@@H](O)CO 7a_100000211975_100009815848 [0,1,0,0,0,1|2,0,0]=4 5942 B13R1.528 Nc1ncccc1SCC(O)CO 62a_100000045569_100011219619 [0,1,0,0,0,1|2,0,0]=4 5943 B13R1.528 Nc1ncccc1SCC(O)CO 62a_100011219619_100000045569 [0,1,0,0,0,1|2,0,0]=4 5944 B13R1.528 Nc1ncccc1SC[C@@H](O)CO 62a_100000045569_100009815848 [0,1,0,0,0,1|2,0,0]=4 5945 B13R1.528 Nc1ncccc1SC[C@@H](O)CO 62a_100009815848_100000045569 [0,1,0,0,0,1|2,0,0]=4 5946 B13R1.528 O=C(CO)CCc1ccccc1Br 1458a_100000210174_100012161201 [0,1,0,0,0,1|1,0,1]=4 5947 B13R1.528 O=C(CO)CCc1ccccc1Cl 1458a_100000210174_100011713703 [0,1,0,0,0,1|1,0,1]=4 5948 B13R1.528 O=C(CO)CCc1ccccc1F 1458a_100000210174_100000720011 [0,1,0,0,0,1|1,0,1]=4 5949 B13R1.528 O=C(CO)CCc1ccccc1O 1458a_100000210174_100000722297 [0,1,0,0,0,1|1,0,1]=4 5950 B13R1.528 O=C(CO)NCc1ccccc1Br 240690a_100000689332_100000210174 [0,1,0,0,0,1|1,0,1]=4 5951 B13R1.528 O=C(CO)NCc1ccccc1Br 527a_100000689332_100000210174 [0,1,0,0,0,1|1,0,1]=4 5952 B13R1.528 O=C(CO)NCc1ccccc1Cl 240690a_100000174879_100000210174 [0,1,0,0,0,1|1,0,1]=4 5953 B13R1.528 O=C(CO)NCc1ccccc1Cl 527a_100000174879_100000210174 [0,1,0,0,0,1|1,0,1]=4 5954 B13R1.528 O=C(CO)NCc1ccccc1F 240690a_100000174869_100000210174 [0,1,0,0,0,1|1,0,1]=4 5955 B13R1.528 O=C(CO)NCc1ccccc1F 527a_100000174869_100000210174 [0,1,0,0,0,1|1,0,1]=4 5956 B13R1.528 O=C(CO)NCc1ccccc1I 240690a_100015347259_100000210174 [0,1,0,0,0,1|1,0,1]=4 5957 B13R1.528 O=C(CO)NCc1ccccc1I 527a_100015347259_100000210174 [0,1,0,0,0,1|1,0,1]=4 5958 B13R1.528 O=C(CO)NCc1ccccc1O 240690a_100000185550_100000210174 [0,1,0,0,0,1|1,0,1]=4 5959 B13R1.528 O=C(CO)NCc1ccccc1O 527a_100000185550_100000210174 [0,1,0,0,0,1|1,0,1]=4 5960 B13R1.528 O=c1cc[nH]cc1SCC(O)CO 62a_100009998708_100011219619 [0,1,0,0,0,1|2,0,0]=4 5961 B13R1.528 O=c1cc[nH]cc1SCC(O)CO 62a_100011219619_100009998708 [0,1,0,0,0,1|2,0,0]=4 5962 B13R1.528 O=c1cc[nH]cc1SC[C@@H](O)CO 62a_100009815848_100009998708 [0,1,0,0,0,1|2,0,0]=4 5963 B13R1.528 O=c1cc[nH]cc1SC[C@@H](O)CO 62a_100009998708_100009815848 [0,1,0,0,0,1|2,0,0]=4 5964 B13R1.528 O=c1ccocc1OCC(O)CO 34a_100000060831_100011219619 [0,1,0,0,0,1|2,0,0]=4 5965 B13R1.528 O=c1ccocc1OC[C@@H](O)CO 34a_100000060831_100009815848 [0,1,0,0,0,1|2,0,0]=4 5966 B13R1.528 O=c1occcc1OCC(O)CO 34a_100000077404_100011219619 [0,1,0,0,0,1|2,0,0]=4 5967 B13R1.528 O=c1occcc1OCC(O)CO 7a_100000077404_100011219619 [0,1,0,0,0,1|2,0,0]=4 5968 B13R1.528 O=c1occcc1OC[C@@H](O)CO 34a_100000077404_100009815848 [0,1,0,0,0,1|2,0,0]=4 5969 B13R1.528 O=c1occcc1OC[C@@H](O)CO 7a_100000077404_100009815848 [0,1,0,0,0,1|2,0,0]=4 5970 B13R1.528 OCC(O)CNc1ccccc1Br 34a_100000210017_100011219619 [0,1,0,0,0,1|1,0,0]=3 5971 B13R1.528 OCC(O)CNc1ccccc1Cl 34a_100000185783_100011219619 [0,1,0,0,0,1|1,0,0]=3 5972 B13R1.528 OCC(O)CNc1ccccc1F 34a_100000210422_100011219619 [0,1,0,0,0,1|1,0,0]=3 5973 B13R1.528 OCC(O)CNc1ccccc1I 34a_100000210053_100011219619 [0,1,0,0,0,1|1,0,0]=3 5974 B13R1.528 OCC(O)CNc1ccccc1O 34a_100000185747_100011219619 [0,1,0,0,0,1|1,0,0]=3 5975 B13R1.528 OCC(O)COc1ccccc1Br 34a_100000181306_100011219619 [0,1,0,0,0,1|1,0,0]=3 5976 B13R1.528 OCC(O)COc1ccccc1Br 7a_100000181306_100011219619 [0,1,0,0,0,1|1,0,0]=3 5977 B13R1.528 OCC(O)COc1ccccc1Cl 34a_100000210172_100011219619 [0,1,0,0,0,1|1,0,0]=3 5978 B13R1.528 OCC(O)COc1ccccc1Cl 7a_100000210172_100011219619 [0,1,0,0,0,1|1,0,0]=3 5979 B13R1.528 OCC(O)COc1ccccc1F 34a_100000210171_100011219619 [0,1,0,0,0,1|1,0,0]=3 5980 B13R1.528 OCC(O)COc1ccccc1F 7a_100000210171_100011219619 [0,1,0,0,0,1|1,0,0]=3 5981 B13R1.528 OCC(O)COc1ccccc1I 34a_100000739446_100011219619 [0,1,0,0,0,1|1,0,0]=3 5982 B13R1.528 OCC(O)COc1ccccc1I 7a_100000739446_100011219619 [0,1,0,0,0,1|1,0,0]=3 5983 B13R1.528 OCC(O)COc1cccnc1Br 34a_100000744436_100011219619 [0,1,0,0,0,1|2,0,0]=4 5984 B13R1.528 OCC(O)COc1cccnc1Br 7a_100000744436_100011219619 [0,1,0,0,0,1|2,0,0]=4 5985 B13R1.528 OCC(O)COc1cccnc1Cl 34a_100000757616_100011219619 [0,1,0,0,0,1|2,0,0]=4 5986 B13R1.528 OCC(O)COc1cccnc1Cl 7a_100000757616_100011219619 [0,1,0,0,0,1|2,0,0]=4 5987 B13R1.528 OCC(O)COc1cccnc1F 34a_100000061740_100011219619 [0,1,0,0,0,1|2,0,0]=4 5988 B13R1.528 OCC(O)COc1cccnc1F 7a_100000061740_100011219619 [0,1,0,0,0,1|2,0,0]=4 5989 B13R1.528 OCC(O)COc1cccnc1I 34a_100000034122_100011219619 [0,1,0,0,0,1|2,0,0]=4 5990 B13R1.528 OCC(O)COc1cccnc1I 7a_100000034122_100011219619 [0,1,0,0,0,1|2,0,0]=4 5991 B13R1.528 OCC(O)COc1ccncc1Br 34a_100011996408_100011219619 [0,1,0,0,0,1|2,0,0]=4 5992 B13R1.528 OCC(O)COc1ccncc1Cl 34a_100011997054_100011219619 [0,1,0,0,0,1|2,0,0]=4 5993 B13R1.528 OCC(O)COc1ccncc1F 34a_200000081243_100011219619 [0,1,0,0,0,1|2,0,0]=4 5994 B13R1.528 OCC(O)COc1cnccc1Cl 34a_100011996695_100011219619 [0,1,0,0,0,1|2,0,0]=4 5995 B13R1.528 OCC(O)COc1cnccc1I 34a_100000050107_100011219619 [0,1,0,0,0,1|2,0,0]=4 5996 B13R1.528 OCC(O)COc1ncccc1Cl 34a_100011290957_100011219619 [0,1,0,0,0,1|2,0,0]=4 5997 B13R1.528 OCC(O)COc1ncccc1F 34a_100011219419_100011219619 [0,1,0,0,0,1|2,0,0]=4 5998 B13R1.528 OCC(O)CSc1c[nH]ccc1=S 62a_100011219619_200012280681 [0,1,0,0,0,1|2,0,0]=4 5999 B13R1.528 OCC(O)CSc1c[nH]ccc1=S 62a_200012280681_100011219619 [0,1,0,0,0,1|2,0,0]=4 6000 B13R1.528 OCC(O)CSc1ccccc1Br 62a_100000695589_100011219619 [0,1,0,0,0,1|1,0,0]=3 6001 B13R1.528 OCC(O)CSc1ccccc1Br 62a_100011219619_100000695589 [0,1,0,0,0,1|1,0,0]=3 6002 B13R1.528 OCC(O)CSc1ccccc1Cl 62a_100000764095_100011219619 [0,1,0,0,0,1|1,0,0]=3 6003 B13R1.528 OCC(O)CSc1ccccc1Cl 62a_100011219619_100000764095 [0,1,0,0,0,1|1,0,0]=3 6004 B13R1.528 OCC(O)CSc1ccccc1F 62a_100011215700_100011219619 [0,1,0,0,0,1|1,0,0]=3 6005 B13R1.528 OCC(O)CSc1ccccc1F 62a_100011219619_100011215700 [0,1,0,0,0,1|1,0,0]=3 6006 B13R1.528 OCC(O)CSc1ccccc1O 62a_100000739446_100011219619 [0,1,0,0,0,1|1,0,0]=3 6007 B13R1.528 OCC(O)CSc1ccccc1O 62a_100011219619_100000739446 [0,1,0,0,0,1|1,0,0]=3 6008 B13R1.528 OCC(O)CSc1cccnc1Br 62a_100010202626_100011219619 [0,1,0,0,0,1|2,0,0]=4 6009 B13R1.528 OCC(O)CSc1cccnc1Br 62a_100011219619_100010202626 [0,1,0,0,0,1|2,0,0]=4 6010 B13R1.528 OCC(O)CSc1cccnc1Cl 62a_100000036424_100011219619 [0,1,0,0,0,1|2,0,0]=4 6011 B13R1.528 OCC(O)CSc1cccnc1Cl 62a_100011219619_100000036424 [0,1,0,0,0,1|2,0,0]=4 6012 B13R1.528 OCC(O)CSc1cccnc1F 62a_100009816115_100011219619 [0,1,0,0,0,1|2,0,0]=4 6013 B13R1.528 OCC(O)CSc1cccnc1F 62a_100011219619_100009816115 [0,1,0,0,0,1|2,0,0]=4 6014 B13R1.528 OCC(O)CSc1cccnc1O 62a_100000760158_100011219619 [0,1,0,0,0,1|2,0,0]=4 6015 B13R1.528 OCC(O)CSc1cccnc1O 62a_100011219619_100000760158 [0,1,0,0,0,1|2,0,0]=4 6016 B13R1.528 OCC(O)CSc1ccncc1Br 62a_100000726257_100011219619 [0,1,0,0,0,1|2,0,0]=4 6017 B13R1.528 OCC(O)CSc1ccncc1Br 62a_100011219619_100000726257 [0,1,0,0,0,1|2,0,0]=4 6018 B13R1.528 OCC(O)CSc1ccncc1Cl 62a_100000708259_100011219619 [0,1,0,0,0,1|2,0,0]=4 6019 B13R1.528 OCC(O)CSc1ccncc1Cl 62a_100011219619_100000708259 [0,1,0,0,0,1|2,0,0]=4 6020 B13R1.528 OCC(O)CSc1ccncc1F 62a_100000047030_100011219619 [0,1,0,0,0,1|2,0,0]=4 6021 B13R1.528 OCC(O)CSc1ccncc1F 62a_100011219619_100000047030 [0,1,0,0,0,1|2,0,0]=4 6022 B13R1.528 OCC(O)CSc1ccncc1O 62a_100009817591_100011219619 [0,1,0,0,0,1|2,0,0]=4 6023 B13R1.528 OCC(O)CSc1ccncc1O 62a_100011219619_100009817591 [0,1,0,0,0,1|2,0,0]=4 6024 B13R1.528 OCC(O)CSc1cnccc1Br 62a_100010138639_100011219619 [0,1,0,0,0,1|2,0,0]=4 6025 B13R1.528 OCC(O)CSc1cnccc1Br 62a_100011219619_100010138639 [0,1,0,0,0,1|2,0,0]=4 6026 B13R1.528 OCC(O)CSc1cnccc1Cl 62a_100009995489_100011219619 [0,1,0,0,0,1|2,0,0]=4 6027 B13R1.528 OCC(O)CSc1cnccc1Cl 62a_100011219619_100009995489 [0,1,0,0,0,1|2,0,0]=4 6028 B13R1.528 OCC(O)CSc1cnccc1F 62a_100009820683_100011219619 [0,1,0,0,0,1|2,0,0]=4 6029 B13R1.528 OCC(O)CSc1cnccc1F 62a_100011219619_100009820683 [0,1,0,0,0,1|2,0,0]=4 6030 B13R1.528 OCC(O)CSc1ncccc1Br 62a_100000696092_100011219619 [0,1,0,0,0,1|2,0,0]=4 6031 B13R1.528 OCC(O)CSc1ncccc1Br 62a_100011219619_100000696092 [0,1,0,0,0,1|2,0,0]=4 6032 B13R1.528 OCC(O)CSc1ncccc1Cl 62a_100011219619_100011356963 [0,1,0,0,0,1|2,0,0]=4 6033 B13R1.528 OCC(O)CSc1ncccc1Cl 62a_100011356963_100011219619 [0,1,0,0,0,1|2,0,0]=4 6034 B13R1.528 OCC(O)CSc1ncccc1F 62a_100000685392_100011219619 [0,1,0,0,0,1|2,0,0]=4 6035 B13R1.528 OCC(O)CSc1ncccc1F 62a_100011219619_100000685392 [0,1,0,0,0,1|2,0,0]=4 6036 B13R1.528 OCC(O)CSc1ncccc1O 62a_100000034122_100011219619 [0,1,0,0,0,1|2,0,0]=4 6037 B13R1.528 OCC(O)CSc1ncccc1O 62a_100011219619_100000034122 [0,1,0,0,0,1|2,0,0]=4 6038 B13R1.528 OC[C@@H](O)CNc1ccncc1Br 27a_100020644852_100000726257 [0,1,0,0,0,1|2,0,0]=4 6039 B13R1.528 OC[C@@H](O)CNc1ccncc1F 27a_100020644852_100000035921 [0,1,0,0,0,1|2,0,0]=4 6040 B13R1.528 OC[C@@H](O)CNc1ncccc1Br 27a_100020644852_100000696092 [0,1,0,0,0,1|2,0,0]=4 6041 B13R1.528 OC[C@H](F)CNc1ccncc1Br 27a_100015665980_100000726257 [0,1,0,0,0,1|2,0,0]=4 6042 B13R1.528 OC[C@H](F)CNc1ccncc1F 27a_100015665980_100000035921 [0,1,0,0,0,1|2,0,0]=4 6043 B13R1.528 OC[C@H](F)CNc1ncccc1Br 27a_100015665980_100000696092 [0,1,0,0,0,1|2,0,0]=4 6044 B13R1.528 OC[C@H](O)CNc1ccccc1Br 34a_100000210017_100009815848 [0,1,0,0,0,1|1,0,0]=3 6045 B13R1.528 OC[C@H](O)CNc1ccccc1Cl 34a_100000185783_100009815848 [0,1,0,0,0,1|1,0,0]=3 6046 B13R1.528 OC[C@H](O)CNc1ccccc1F 34a_100000210422_100009815848 [0,1,0,0,0,1|1,0,0]=3 6047 B13R1.528 OC[C@H](O)CNc1ccccc1I 34a_100000210053_100009815848 [0,1,0,0,0,1|1,0,0]=3 6048 B13R1.528 OC[C@H](O)CNc1ccccc1O 34a_100000185747_100009815848 [0,1,0,0,0,1|1,0,0]=3 6049 B13R1.528 OC[C@H](O)COc1ccccc1Br 34a_100000181306_100009815848 [0,1,0,0,0,1|1,0,0]=3 6050 B13R1.528 OC[C@H](O)COc1ccccc1Br 7a_100000181306_100009815848 [0,1,0,0,0,1|1,0,0]=3 6051 B13R1.528 OC[C@H](O)COc1ccccc1Cl 34a_100000210172_100009815848 [0,1,0,0,0,1|1,0,0]=3 6052 B13R1.528 OC[C@H](O)COc1ccccc1Cl 7a_100000210172_100009815848 [0,1,0,0,0,1|1,0,0]=3 6053 B13R1.528 OC[C@H](O)COc1ccccc1F 34a_100000210171_100009815848 [0,1,0,0,0,1|1,0,0]=3 6054 B13R1.528 OC[C@H](O)COc1ccccc1F 7a_100000210171_100009815848 [0,1,0,0,0,1|1,0,0]=3 6055 B13R1.528 OC[C@H](O)COc1ccccc1I 34a_100000739446_100009815848 [0,1,0,0,0,1|1,0,0]=3 6056 B13R1.528 OC[C@H](O)COc1ccccc1I 7a_100000739446_100009815848 [0,1,0,0,0,1|1,0,0]=3 6057 B13R1.528 OC[C@H](O)COc1cccnc1Br 34a_100000744436_100009815848 [0,1,0,0,0,1|2,0,0]=4 6058 B13R1.528 OC[C@H](O)COc1cccnc1Br 7a_100000744436_100009815848 [0,1,0,0,0,1|2,0,0]=4 6059 B13R1.528 OC[C@H](O)COc1cccnc1Cl 34a_100000757616_100009815848 [0,1,0,0,0,1|2,0,0]=4 6060 B13R1.528 OC[C@H](O)COc1cccnc1Cl 7a_100000757616_100009815848 [0,1,0,0,0,1|2,0,0]=4 6061 B13R1.528 OC[C@H](O)COc1cccnc1F 34a_100000061740_100009815848 [0,1,0,0,0,1|2,0,0]=4 6062 B13R1.528 OC[C@H](O)COc1cccnc1F 7a_100000061740_100009815848 [0,1,0,0,0,1|2,0,0]=4 6063 B13R1.528 OC[C@H](O)COc1cccnc1I 34a_100000034122_100009815848 [0,1,0,0,0,1|2,0,0]=4 6064 B13R1.528 OC[C@H](O)COc1cccnc1I 7a_100000034122_100009815848 [0,1,0,0,0,1|2,0,0]=4 6065 B13R1.528 OC[C@H](O)COc1ccncc1Br 34a_100011996408_100009815848 [0,1,0,0,0,1|2,0,0]=4 6066 B13R1.528 OC[C@H](O)COc1ccncc1Cl 34a_100011997054_100009815848 [0,1,0,0,0,1|2,0,0]=4 6067 B13R1.528 OC[C@H](O)COc1ccncc1F 34a_200000081243_100009815848 [0,1,0,0,0,1|2,0,0]=4 6068 B13R1.528 OC[C@H](O)COc1cnccc1Cl 34a_100011996695_100009815848 [0,1,0,0,0,1|2,0,0]=4 6069 B13R1.528 OC[C@H](O)COc1cnccc1I 34a_100000050107_100009815848 [0,1,0,0,0,1|2,0,0]=4 6070 B13R1.528 OC[C@H](O)COc1ncccc1Cl 34a_100011290957_100009815848 [0,1,0,0,0,1|2,0,0]=4 6071 B13R1.528 OC[C@H](O)COc1ncccc1F 34a_100011219419_100009815848 [0,1,0,0,0,1|2,0,0]=4 6072 B13R1.528 OC[C@H](O)CSc1c[nH]ccc1=S 62a_100009815848_200012280681 [0,1,0,0,0,1|2,0,0]=4 6073 B13R1.528 OC[C@H](O)CSc1c[nH]ccc1=S 62a_200012280681_100009815848 [0,1,0,0,0,1|2,0,0]=4 6074 B13R1.528 OC[C@H](O)CSc1ccccc1Br 62a_100000695589_100009815848 [0,1,0,0,0,1|1,0,0]=3 6075 B13R1.528 OC[C@H](O)CSc1ccccc1Br 62a_100009815848_100000695589 [0,1,0,0,0,1|1,0,0]=3 6076 B13R1.528 OC[C@H](O)CSc1ccccc1Cl 62a_100000764095_100009815848 [0,1,0,0,0,1|1,0,0]=3 6077 B13R1.528 OC[C@H](O)CSc1ccccc1Cl 62a_100009815848_100000764095 [0,1,0,0,0,1|1,0,0]=3 6078 B13R1.528 OC[C@H](O)CSc1ccccc1F 62a_100009815848_100011215700 [0,1,0,0,0,1|1,0,0]=3 6079 B13R1.528 OC[C@H](O)CSc1ccccc1F 62a_100011215700_100009815848 [0,1,0,0,0,1|1,0,0]=3 6080 B13R1.528 OC[C@H](O)CSc1ccccc1O 62a_100000739446_100009815848 [0,1,0,0,0,1|1,0,0]=3 6081 B13R1.528 OC[C@H](O)CSc1ccccc1O 62a_100009815848_100000739446 [0,1,0,0,0,1|1,0,0]=3 6082 B13R1.528 OC[C@H](O)CSc1cccnc1Br 62a_100009815848_100010202626 [0,1,0,0,0,1|2,0,0]=4 6083 B13R1.528 OC[C@H](O)CSc1cccnc1Br 62a_100010202626_100009815848 [0,1,0,0,0,1|2,0,0]=4 6084 B13R1.528 OC[C@H](O)CSc1cccnc1Cl 62a_100000036424_100009815848 [0,1,0,0,0,1|2,0,0]=4 6085 B13R1.528 OC[C@H](O)CSc1cccnc1Cl 62a_100009815848_100000036424 [0,1,0,0,0,1|2,0,0]=4 6086 B13R1.528 OC[C@H](O)CSc1cccnc1F 62a_100009815848_100009816115 [0,1,0,0,0,1|2,0,0]=4 6087 B13R1.528 OC[C@H](O)CSc1cccnc1F 62a_100009816115_100009815848 [0,1,0,0,0,1|2,0,0]=4 6088 B13R1.528 OC[C@H](O)CSc1cccnc1O 62a_100000760158_100009815848 [0,1,0,0,0,1|2,0,0]=4 6089 B13R1.528 OC[C@H](O)CSc1cccnc1O 62a_100009815848_100000760158 [0,1,0,0,0,1|2,0,0]=4 6090 B13R1.528 OC[C@H](O)CSc1ccncc1Br 62a_100000726257_100009815848 [0,1,0,0,0,1|2,0,0]=4 6091 B13R1.528 OC[C@H](O)CSc1ccncc1Br 62a_100009815848_100000726257 [0,1,0,0,0,1|2,0,0]=4 6092 B13R1.528 OC[C@H](O)CSc1ccncc1Cl 62a_100000708259_100009815848 [0,1,0,0,0,1|2,0,0]=4 6093 B13R1.528 OC[C@H](O)CSc1ccncc1Cl 62a_100009815848_100000708259 [0,1,0,0,0,1|2,0,0]=4 6094 B13R1.528 OC[C@H](O)CSc1ccncc1F 62a_100000047030_100009815848 [0,1,0,0,0,1|2,0,0]=4 6095 B13R1.528 OC[C@H](O)CSc1ccncc1F 62a_100009815848_100000047030 [0,1,0,0,0,1|2,0,0]=4 6096 B13R1.528 OC[C@H](O)CSc1ccncc1O 62a_100009815848_100009817591 [0,1,0,0,0,1|2,0,0]=4 6097 B13R1.528 OC[C@H](O)CSc1ccncc1O 62a_100009817591_100009815848 [0,1,0,0,0,1|2,0,0]=4 6098 B13R1.528 OC[C@H](O)CSc1cnccc1Br 62a_100009815848_100010138639 [0,1,0,0,0,1|2,0,0]=4 6099 B13R1.528 OC[C@H](O)CSc1cnccc1Br 62a_100010138639_100009815848 [0,1,0,0,0,1|2,0,0]=4 6100 B13R1.528 OC[C@H](O)CSc1cnccc1Cl 62a_100009815848_100009995489 [0,1,0,0,0,1|2,0,0]=4 6101 B13R1.528 OC[C@H](O)CSc1cnccc1Cl 62a_100009995489_100009815848 [0,1,0,0,0,1|2,0,0]=4 6102 B13R1.528 OC[C@H](O)CSc1cnccc1F 62a_100009815848_100009820683 [0,1,0,0,0,1|2,0,0]=4 6103 B13R1.528 OC[C@H](O)CSc1cnccc1F 62a_100009820683_100009815848 [0,1,0,0,0,1|2,0,0]=4 6104 B13R1.528 OC[C@H](O)CSc1ncccc1Br 62a_100000696092_100009815848 [0,1,0,0,0,1|2,0,0]=4 6105 B13R1.528 OC[C@H](O)CSc1ncccc1Br 62a_100009815848_100000696092 [0,1,0,0,0,1|2,0,0]=4 6106 B13R1.528 OC[C@H](O)CSc1ncccc1Cl 62a_100009815848_100011356963 [0,1,0,0,0,1|2,0,0]=4 6107 B13R1.528 OC[C@H](O)CSc1ncccc1Cl 62a_100011356963_100009815848 [0,1,0,0,0,1|2,0,0]=4 6108 B13R1.528 OC[C@H](O)CSc1ncccc1F 62a_100000685392_100009815848 [0,1,0,0,0,1|2,0,0]=4 6109 B13R1.528 OC[C@H](O)CSc1ncccc1F 62a_100009815848_100000685392 [0,1,0,0,0,1|2,0,0]=4 6110 B13R1.528 OC[C@H](O)CSc1ncccc1O 62a_100000034122_100009815848 [0,1,0,0,0,1|2,0,0]=4 6111 B13R1.528 OC[C@H](O)CSc1ncccc1O 62a_100009815848_100000034122 [0,1,0,0,0,1|2,0,0]=4 6112 B13R1.528 O[C@@H](CF)CNc1ccccc1Br 34a_100000210017_100015614560 [0,1,0,0,0,1|2,0,0]=4 6113 B13R1.528 O[C@@H](CF)CNc1ccccc1Cl 34a_100000185783_100015614560 [0,1,0,0,0,1|2,0,0]=4 6114 B13R1.528 O[C@@H](CF)CNc1ccccc1F 34a_100000210422_100015614560 [0,1,0,0,0,1|2,0,0]=4 6115 B13R1.528 O[C@@H](CF)CNc1ccccc1I 34a_100000210053_100015614560 [0,1,0,0,0,1|2,0,0]=4 6116 B13R1.528 O[C@@H](CF)COc1ccccc1Br 34a_100000181306_100015614560 [0,1,0,0,0,1|2,0,0]=4 6117 B13R1.528 O[C@@H](CF)COc1ccccc1Br 7a_100000181306_100015614560 [0,1,0,0,0,1|2,0,0]=4 6118 B13R1.528 O[C@@H](CF)COc1ccccc1Cl 34a_100000210172_100015614560 [0,1,0,0,0,1|2,0,0]=4 6119 B13R1.528 O[C@@H](CF)COc1ccccc1Cl 7a_100000210172_100015614560 [0,1,0,0,0,1|2,0,0]=4 6120 B13R1.528 O[C@@H](CF)COc1ccccc1F 34a_100000210171_100015614560 [0,1,0,0,0,1|2,0,0]=4 6121 B13R1.528 O[C@@H](CF)COc1ccccc1F 7a_100000210171_100015614560 [0,1,0,0,0,1|2,0,0]=4 6122 B13R1.528 O[C@@H](CF)COc1ccccc1I 34a_100000739446_100015614560 [0,1,0,0,0,1|2,0,0]=4 6123 B13R1.528 O[C@@H](CF)COc1ccccc1I 7a_100000739446_100015614560 [0,1,0,0,0,1|2,0,0]=4 6124 B13R1.528 O[C@@H](CF)CSc1ccccc1Br 62a_100000695589_100015614560 [0,1,0,0,0,1|2,0,0]=4 6125 B13R1.528 O[C@@H](CF)CSc1ccccc1Br 62a_100015614560_100000695589 [0,1,0,0,0,1|2,0,0]=4 6126 B13R1.528 O[C@@H](CF)CSc1ccccc1Cl 62a_100000764095_100015614560 [0,1,0,0,0,1|2,0,0]=4 6127 B13R1.528 O[C@@H](CF)CSc1ccccc1Cl 62a_100015614560_100000764095 [0,1,0,0,0,1|2,0,0]=4 6128 B13R1.528 O[C@@H](CF)CSc1ccccc1F 62a_100011215700_100015614560 [0,1,0,0,0,1|2,0,0]=4 6129 B13R1.528 O[C@@H](CF)CSc1ccccc1F 62a_100015614560_100011215700 [0,1,0,0,0,1|2,0,0]=4 6130 B13R1.528 Oc1ccccc1NC[C@@H](O)CF 34a_100000185747_100015614560 [0,1,0,0,0,1|2,0,0]=4 6131 B13R1.528 Oc1ccccc1SC[C@@H](O)CF 62a_100000739446_100015614560 [0,1,0,0,0,1|2,0,0]=4 6132 B13R1.528 Oc1ccccc1SC[C@@H](O)CF 62a_100015614560_100000739446 [0,1,0,0,0,1|2,0,0]=4 6133 B13R1.528 [O-][n+]1ccccc1OCC(O)CO 7a_100000211761_100011219619 [0,1,0,0,0,1|2,0,0]=4 6134 B13R1.528 [O-][n+]1ccccc1OC[C@@H](O)CO 7a_100000211761_100009815848 [0,1,0,0,0,1|2,0,0]=4 6135 B13R1.528 [O-][n+]1ccccc1SCC(O)CO 62a_100011219619_200000042595 [0,1,0,0,0,1|2,0,0]=4 6136 B13R1.528 [O-][n+]1ccccc1SC[C@@H](O)CO 62a_100009815848_200000042595 [0,1,0,0,0,1|2,0,0]=4 6137 B13R1.527 CC(CO)Oc1cccccc1=O 34a_100000036025_100012180447 [0,1,0,0,0,1|2,0,0]=4 6138 B13R1.527 CC(CO)Oc1cccccc1=O 7a_100000036025_100012180447 [0,1,0,0,0,1|2,0,0]=4 6139 B13R1.19 CC(CCO)Nc1ccc(cc1)Br 2230a_100000210018_100009893172 [0,2,0,0,0,0|2,0,0]=4 6140 B13R1.19 CC(CCO)Nc1ccc(cc1)Br 34a_100000210018_100009893172 [0,2,0,0,0,0|2,0,0]=4 6141 B13R1.19 CC(CCO)Nc1ccc(cc1)Cl 2230a_100000210052_100009893172 [0,2,0,0,0,0|2,0,0]=4 6142 B13R1.19 CC(CCO)Nc1ccc(cc1)Cl 34a_100000210052_100009893172 [0,2,0,0,0,0|2,0,0]=4 6143 B13R1.19 CC(CCO)Nc1ccc(cc1)F 34a_100000185862_100009893172 [0,2,0,0,0,0|2,0,0]=4 6144 B13R1.19 CC(CCO)Nc1ccc(cc1)I 34a_100000185761_100009893172 [0,2,0,0,0,0|2,0,0]=4 6145 B13R1.19 CC(CCO)Nc1ccc(cc1)O 34a_100000185829_100009893172 [0,2,0,0,0,0|2,0,0]=4 6146 B13R1.19 CC(CCO)Oc1ccc(cc1)Br 34a_100000185759_100009893172 [0,2,0,0,0,0|2,0,0]=4 6147 B13R1.19 CC(CCO)Oc1ccc(cc1)Br 7a_100000185759_100009893172 [0,2,0,0,0,0|2,0,0]=4 6148 B13R1.19 CC(CCO)Oc1ccc(cc1)Cl 34a_100000210216_100009893172 [0,2,0,0,0,0|2,0,0]=4 6149 B13R1.19 CC(CCO)Oc1ccc(cc1)Cl 7a_100000210216_100009893172 [0,2,0,0,0,0|2,0,0]=4 6150 B13R1.19 CC(CCO)Oc1ccc(cc1)F 34a_100000210339_100009893172 [0,2,0,0,0,0|2,0,0]=4 6151 B13R1.19 CC(CCO)Oc1ccc(cc1)I 34a_100000212066_100009893172 [0,2,0,0,0,0|2,0,0]=4 6152 B13R1.19 CC(CCO)Oc1ccc(cc1)I 7a_100000212066_100009893172 [0,2,0,0,0,0|2,0,0]=4 6153 B13R1.19 CC(CCO)Oc1ccc(cc1)N 34a_100000185829_100009893172 [0,2,0,0,0,0|2,0,0]=4 6154 B13R1.19 CC(CCO)Sc1ccc(cc1)Br 62a_100000752885_100009893172 [0,2,0,0,0,0|2,0,0]=4 6155 B13R1.19 CC(CCO)Sc1ccc(cc1)Br 62a_100009893172_100000752885 [0,2,0,0,0,0|2,0,0]=4 6156 B13R1.19 CC(CCO)Sc1ccc(cc1)Cl 62a_100000755918_100009893172 [0,2,0,0,0,0|2,0,0]=4 6157 B13R1.19 CC(CCO)Sc1ccc(cc1)Cl 62a_100009893172_100000755918 [0,2,0,0,0,0|2,0,0]=4 6158 B13R1.19 CC(CCO)Sc1ccc(cc1)F 62a_100000211213_100009893172 [0,2,0,0,0,0|2,0,0]=4 6159 B13R1.19 CC(CCO)Sc1ccc(cc1)F 62a_100009893172_100000211213 [0,2,0,0,0,0|2,0,0]=4 6160 B13R1.19 CC(CCO)Sc1ccc(cc1)N 62a_100000185761_100009893172 [0,2,0,0,0,0|2,0,0]=4 6161 B13R1.19 CC(CCO)Sc1ccc(cc1)N 62a_100009893172_100000185761 [0,2,0,0,0,0|2,0,0]=4 6162 B13R1.19 CC(CCO)Sc1ccc(cc1)O 62a_100009893172_100000185759 [0,2,0,0,0,0|2,0,0]=4 6163 B13R1.19 CC(Cc1ccc(cc1)F)OCF 34a_100011351027_100015361967 [0,2,0,0,0,0|2,0,0]=4 6164 B13R1.19 CC(Cc1ccc(cc1)F)OCF 7a_100011351027_100015361967 [0,2,0,0,0,0|2,0,0]=4 6165 B13R1.19 CC(Cc1ccc(cc1)O)NCF 34a_100102634573_100015361967 [0,2,0,0,0,0|2,0,0]=4 6166 B13R1.19 CCNC(C)Cc1ccc(cc1)Br 270004a_100015525214_100000691760 [0,2,0,0,0,0|2,0,0]=4 6167 B13R1.19 CCNC(C)Cc1ccc(cc1)C 270004a_100015525214_100000751045 [0,2,0,0,0,0|2,0,0]=4 6168 B13R1.19 CCNC(C)Cc1ccc(cc1)Cl 270004a_100015525214_100000747806 [0,2,0,0,0,0|2,0,0]=4 6169 B13R1.19 CCNC(C)Cc1ccc(cc1)F 270004a_100015525214_100000745281 [0,2,0,0,0,0|2,0,0]=4 6170 B13R1.19 CCNC(C)Cc1ccc(cc1)O 2230a_100102634573_100000210202 [0,2,0,0,0,0|2,0,0]=4 6171 B13R1.19 CCNC(C)Cc1ccc(cc1)O 270004a_100015525214_100011218180 [0,2,0,0,0,0|2,0,0]=4 6172 B13R1.19 CCNC(C)Cc1ccc(cc1)O 34a_100102634573_100000210202 [0,2,0,0,0,0|2,0,0]=4 6173 B13R1.19 CCOC(C)Cc1ccc(cc1)F 34a_100011351027_100000210202 [0,2,0,0,0,0|2,0,0]=4 6174 B13R1.19 CCOC(C)Cc1ccc(cc1)F 7a_100011351027_100000210202 [0,2,0,0,0,0|2,0,0]=4 6175 B13R1.19 CN(CCO)Cc1ccc(cc1)Br 2230a_100000180866_100000211926 [0,2,0,0,0,0|2,0,0]=4 6176 B13R1.19 CN(CCO)Cc1ccc(cc1)Br 2230a_100000186819_200000210301 [0,2,0,0,0,0|2,0,0]=4 6177 B13R1.19 CN(CCO)Cc1ccc(cc1)Br 2230a_100000210263_100011217064 [0,2,0,0,0,0|2,0,0]=4 6178 B13R1.19 CN(CCO)Cc1ccc(cc1)Br 269982a_100000180866_100000211926 [0,2,0,0,0,0|2,0,0]=4 6179 B13R1.19 CN(CCO)Cc1ccc(cc1)Br 269982a_100000186819_200000210301 [0,2,0,0,0,0|2,0,0]=4 6180 B13R1.19 CN(CCO)Cc1ccc(cc1)Br 269982a_100000210263_100011217064 [0,2,0,0,0,0|2,0,0]=4 6181 B13R1.19 CN(CCO)Cc1ccc(cc1)Br 26a_100000210263_100000185759 [0,2,0,0,0,0|2,0,0]=4 6182 B13R1.19 CN(CCO)Cc1ccc(cc1)Br 270004a_100000210263_100000186029 [0,2,0,0,0,0|2,0,0]=4 6183 B13R1.19 CN(CCO)Cc1ccc(cc1)Br 34a_100000186819_200000210301 [0,2,0,0,0,0|2,0,0]=4 6184 B13R1.19 CN(CCO)Cc1ccc(cc1)Cl 2230a_100000184517_100000211926 [0,2,0,0,0,0|2,0,0]=4 6185 B13R1.19 CN(CCO)Cc1ccc(cc1)Cl 2230a_100000210263_100000694040 [0,2,0,0,0,0|2,0,0]=4 6186 B13R1.19 CN(CCO)Cc1ccc(cc1)Cl 269982a_100000184517_100000211926 [0,2,0,0,0,0|2,0,0]=4 6187 B13R1.19 CN(CCO)Cc1ccc(cc1)Cl 269982a_100000210263_100000187161 [0,2,0,0,0,0|2,0,0]=4 6188 B13R1.19 CN(CCO)Cc1ccc(cc1)Cl 270004a_100000210263_100000189385 [0,2,0,0,0,0|2,0,0]=4 6189 B13R1.19 CN(CCO)Cc1ccc(cc1)Cl 34a_100000184517_100000211926 [0,2,0,0,0,0|2,0,0]=4 6190 B13R1.19 CN(CCO)Cc1ccc(cc1)F 2230a_100000184576_100000211926 [0,2,0,0,0,0|2,0,0]=4 6191 B13R1.19 CN(CCO)Cc1ccc(cc1)F 2230a_100000210263_100000198546 [0,2,0,0,0,0|2,0,0]=4 6192 B13R1.19 CN(CCO)Cc1ccc(cc1)F 2230a_100015183715_200000210301 [0,2,0,0,0,0|2,0,0]=4 6193 B13R1.19 CN(CCO)Cc1ccc(cc1)F 269982a_100000184576_100000211926 [0,2,0,0,0,0|2,0,0]=4 6194 B13R1.19 CN(CCO)Cc1ccc(cc1)F 269982a_100000210263_100000198546 [0,2,0,0,0,0|2,0,0]=4 6195 B13R1.19 CN(CCO)Cc1ccc(cc1)F 269982a_100015183715_200000210301 [0,2,0,0,0,0|2,0,0]=4 6196 B13R1.19 CN(CCO)Cc1ccc(cc1)F 270004a_100000210263_100000210084 [0,2,0,0,0,0|2,0,0]=4 6197 B13R1.19 CN(CCO)Cc1ccc(cc1)F 34a_100000184576_100000211926 [0,2,0,0,0,0|2,0,0]=4 6198 B13R1.19 CN(CCO)Cc1ccc(cc1)F 34a_100015183715_200000210301 [0,2,0,0,0,0|2,0,0]=4 6199 B13R1.19 CN(CCO)Cc1ccc(cc1)I 2230a_100000210263_100000189116 [0,2,0,0,0,0|2,0,0]=4 6200 B13R1.19 CN(CCO)Cc1ccc(cc1)I 269982a_100000210263_100000189116 [0,2,0,0,0,0|2,0,0]=4 6201 B13R1.19 CN(CCO)Cc1ccc(cc1)O 2230a_100000207500_100000211926 [0,2,0,0,0,0|2,0,0]=4 6202 B13R1.19 CN(CCO)Cc1ccc(cc1)O 269982a_100000207500_100000211926 [0,2,0,0,0,0|2,0,0]=4 6203 B13R1.19 COCC(=O)Cc1ccc(cc1)Br 1458a_100000210968_100000189115 [0,2,0,0,0,0|1,0,1]=4 6204 B13R1.19 COCC(=O)Cc1ccc(cc1)C 1458a_100000210968_100000210814 [0,2,0,0,0,0|1,0,1]=4 6205 B13R1.19 COCC(=O)Cc1ccc(cc1)Cl 1458a_100000210968_100000694040 [0,2,0,0,0,0|1,0,1]=4 6206 B13R1.19 COCC(=O)Cc1ccc(cc1)F 1458a_100000210968_100000198546 [0,2,0,0,0,0|1,0,1]=4 6207 B13R1.19 COCC(=O)Cc1ccc(cc1)I 1458a_100000210968_100000189116 [0,2,0,0,0,0|1,0,1]=4 6208 B13R1.19 COCC(C)Nc1ccc(cc1)Br 2230a_100000210018_100000765312 [0,2,0,0,0,0|2,0,0]=4 6209 B13R1.19 COCC(C)Nc1ccc(cc1)Br 34a_100000210018_100000765312 [0,2,0,0,0,0|2,0,0]=4 6210 B13R1.19 COCC(C)Nc1ccc(cc1)C 34a_100000124888_100000765312 [0,2,0,0,0,0|2,0,0]=4 6211 B13R1.19 COCC(C)Nc1ccc(cc1)Cl 2230a_100000210052_100000765312 [0,2,0,0,0,0|2,0,0]=4 6212 B13R1.19 COCC(C)Nc1ccc(cc1)Cl 34a_100000210052_100000765312 [0,2,0,0,0,0|2,0,0]=4 6213 B13R1.19 COCC(C)Nc1ccc(cc1)F 34a_100000185862_100000765312 [0,2,0,0,0,0|2,0,0]=4 6214 B13R1.19 COCC(C)Nc1ccc(cc1)I 34a_100000185761_100000765312 [0,2,0,0,0,0|2,0,0]=4 6215 B13R1.19 COCC(C)Nc1ccc(cc1)O 34a_100000185829_100000765312 [0,2,0,0,0,0|2,0,0]=4 6216 B13R1.19 COCC(C)Oc1ccc(cc1)Br 34a_100000185759_100000765312 [0,2,0,0,0,0|2,0,0]=4 6217 B13R1.19 COCC(C)Oc1ccc(cc1)Br 7a_100000185759_100000765312 [0,2,0,0,0,0|2,0,0]=4 6218 B13R1.19 COCC(C)Oc1ccc(cc1)C 34a_100000210336_100000765312 [0,2,0,0,0,0|2,0,0]=4 6219 B13R1.19 COCC(C)Oc1ccc(cc1)C 7a_100000210336_100000765312 [0,2,0,0,0,0|2,0,0]=4 6220 B13R1.19 COCC(C)Oc1ccc(cc1)Cl 34a_100000210216_100000765312 [0,2,0,0,0,0|2,0,0]=4 6221 B13R1.19 COCC(C)Oc1ccc(cc1)Cl 7a_100000210216_100000765312 [0,2,0,0,0,0|2,0,0]=4 6222 B13R1.19 COCC(C)Oc1ccc(cc1)F 34a_100000210339_100000765312 [0,2,0,0,0,0|2,0,0]=4 6223 B13R1.19 COCC(C)Oc1ccc(cc1)F 34a_100138415774_100010228477 [0,2,0,0,0,0|2,0,0]=4 6224 B13R1.19 COCC(C)Oc1ccc(cc1)I 34a_100000212066_100000765312 [0,2,0,0,0,0|2,0,0]=4 6225 B13R1.19 COCC(C)Oc1ccc(cc1)I 7a_100000212066_100000765312 [0,2,0,0,0,0|2,0,0]=4 6226 B13R1.19 COCC(C)Oc1ccc(cc1)N 34a_100000185829_100000765312 [0,2,0,0,0,0|2,0,0]=4 6227 B13R1.19 COCC(C)Sc1ccc(cc1)Br 62a_100000752885_100000765312 [0,2,0,0,0,0|2,0,0]=4 6228 B13R1.19 COCC(C)Sc1ccc(cc1)Br 62a_100000765312_100000752885 [0,2,0,0,0,0|2,0,0]=4 6229 B13R1.19 COCC(C)Sc1ccc(cc1)C 62a_100000186775_100000765312 [0,2,0,0,0,0|2,0,0]=4 6230 B13R1.19 COCC(C)Sc1ccc(cc1)C 62a_100000765312_100000186775 [0,2,0,0,0,0|2,0,0]=4 6231 B13R1.19 COCC(C)Sc1ccc(cc1)Cl 62a_100000755918_100000765312 [0,2,0,0,0,0|2,0,0]=4 6232 B13R1.19 COCC(C)Sc1ccc(cc1)Cl 62a_100000765312_100000755918 [0,2,0,0,0,0|2,0,0]=4 6233 B13R1.19 COCC(C)Sc1ccc(cc1)F 62a_100000211213_100000765312 [0,2,0,0,0,0|2,0,0]=4 6234 B13R1.19 COCC(C)Sc1ccc(cc1)F 62a_100000765312_100000211213 [0,2,0,0,0,0|2,0,0]=4 6235 B13R1.19 COCC(C)Sc1ccc(cc1)N 62a_100000185761_100000765312 [0,2,0,0,0,0|2,0,0]=4 6236 B13R1.19 COCC(C)Sc1ccc(cc1)N 62a_100000765312_100000185761 [0,2,0,0,0,0|2,0,0]=4 6237 B13R1.19 COCC(C)Sc1ccc(cc1)O 62a_100000765312_100000185759 [0,2,0,0,0,0|2,0,0]=4 6238 B13R1.19 COCC(N)Cc1ccc(cc1)Cl 34a_100025702442_200000210301 [0,2,0,0,0,0|0,0,0]=2 6239 B13R1.19 COCN(C)Cc1ccc(cc1)Br 2230a_100000180866_100000766300 [0,2,0,0,0,0|2,0,0]=4 6240 B13R1.19 COCN(C)Cc1ccc(cc1)Br 269982a_100000180866_100000766300 [0,2,0,0,0,0|2,0,0]=4 6241 B13R1.19 COCN(C)Cc1ccc(cc1)C 2230a_100000744650_100000766300 [0,2,0,0,0,0|2,0,0]=4 6242 B13R1.19 COCN(C)Cc1ccc(cc1)C 269982a_100000744650_100000766300 [0,2,0,0,0,0|2,0,0]=4 6243 B13R1.19 COCN(C)Cc1ccc(cc1)Cl 2230a_100000184517_100000766300 [0,2,0,0,0,0|2,0,0]=4 6244 B13R1.19 COCN(C)Cc1ccc(cc1)Cl 269982a_100000184517_100000766300 [0,2,0,0,0,0|2,0,0]=4 6245 B13R1.19 COCN(C)Cc1ccc(cc1)F 2230a_100000184576_100000766300 [0,2,0,0,0,0|2,0,0]=4 6246 B13R1.19 COCN(C)Cc1ccc(cc1)F 269982a_100000184576_100000766300 [0,2,0,0,0,0|2,0,0]=4 6247 B13R1.19 COCN(C)Cc1ccc(cc1)O 2230a_100000207500_100000766300 [0,2,0,0,0,0|2,0,0]=4 6248 B13R1.19 COCN(C)Cc1ccc(cc1)O 269982a_100000207500_100000766300 [0,2,0,0,0,0|2,0,0]=4 6249 B13R1.19 Cc1ccc(cc1)CC(=O)CCO 1458a_100000212244_100000211926 [0,2,0,0,0,0|1,0,1]=4 6250 B13R1.19 Cc1ccc(cc1)CC(=O)CCO 1458a_100011216618_100000210814 [0,2,0,0,0,0|1,0,1]=4 6251 B13R1.19 Cc1ccc(cc1)CN(C)CCO 2230a_100000186992_200000210301 [0,2,0,0,0,0|2,0,0]=4 6252 B13R1.19 Cc1ccc(cc1)CN(C)CCO 2230a_100000210263_100000210814 [0,2,0,0,0,0|2,0,0]=4 6253 B13R1.19 Cc1ccc(cc1)CN(C)CCO 2230a_100000744650_100000211926 [0,2,0,0,0,0|2,0,0]=4 6254 B13R1.19 Cc1ccc(cc1)CN(C)CCO 269982a_100000186992_200000210301 [0,2,0,0,0,0|2,0,0]=4 6255 B13R1.19 Cc1ccc(cc1)CN(C)CCO 269982a_100000210263_100000210814 [0,2,0,0,0,0|2,0,0]=4 6256 B13R1.19 Cc1ccc(cc1)CN(C)CCO 269982a_100000744650_100000211926 [0,2,0,0,0,0|2,0,0]=4 6257 B13R1.19 Cc1ccc(cc1)CN(C)CCO 26a_100000210263_200020625495 [0,2,0,0,0,0|2,0,0]=4 6258 B13R1.19 Cc1ccc(cc1)CN(C)CCO 270004a_100000210263_100000211033 [0,2,0,0,0,0|2,0,0]=4 6259 B13R1.19 Cc1ccc(cc1)CN(C)CCO 34a_100000186992_200000210301 [0,2,0,0,0,0|2,0,0]=4 6260 B13R1.19 Cc1ccc(cc1)CN(C)CCO 34a_100000744650_100000211926 [0,2,0,0,0,0|2,0,0]=4 6261 B13R1.19 Cc1ccc(cc1)CN([13CH3])CCO 2230a_100000186992_200025704644 [0,2,0,0,0,0|2,0,0]=4 6262 B13R1.19 Cc1ccc(cc1)CN([13CH3])CCO 269982a_100000186992_200025704644 [0,2,0,0,0,0|2,0,0]=4 6263 B13R1.19 Cc1ccc(cc1)CN([13CH3])CCO 34a_100000186992_200025704644 [0,2,0,0,0,0|2,0,0]=4 6264 B13R1.19 Cc1ccc(cc1)NC(C)CCO 34a_100000124888_100009893172 [0,2,0,0,0,0|2,0,0]=4 6265 B13R1.19 Cc1ccc(cc1)OC(C)CCO 34a_100000210336_100009893172 [0,2,0,0,0,0|2,0,0]=4 6266 B13R1.19 Cc1ccc(cc1)OC(C)CCO 7a_100000210336_100009893172 [0,2,0,0,0,0|2,0,0]=4 6267 B13R1.19 Cc1ccc(cc1)SC(C)CCO 62a_100000186775_100009893172 [0,2,0,0,0,0|2,0,0]=4 6268 B13R1.19 Cc1ccc(cc1)SC(C)CCO 62a_100009893172_100000186775 [0,2,0,0,0,0|2,0,0]=4 6269 B13R1.19 O=C(CCO)Cc1ccc(cc1)Br 1458a_100000198978_100000211926 [0,2,0,0,0,0|1,0,1]=4 6270 B13R1.19 O=C(CCO)Cc1ccc(cc1)Br 1458a_100011216618_100000189115 [0,2,0,0,0,0|1,0,1]=4 6271 B13R1.19 O=C(CCO)Cc1ccc(cc1)Cl 1458a_100000211027_100000211926 [0,2,0,0,0,0|1,0,1]=4 6272 B13R1.19 O=C(CCO)Cc1ccc(cc1)Cl 1458a_100011216618_100000694040 [0,2,0,0,0,0|1,0,1]=4 6273 B13R1.19 O=C(CCO)Cc1ccc(cc1)F 1458a_100000210951_100000211926 [0,2,0,0,0,0|1,0,1]=4 6274 B13R1.19 O=C(CCO)Cc1ccc(cc1)F 1458a_100011216618_100000198546 [0,2,0,0,0,0|1,0,1]=4 6275 B13R1.19 O=C(CCO)Cc1ccc(cc1)I 1458a_100000688869_100000211926 [0,2,0,0,0,0|1,0,1]=4 6276 B13R1.19 O=C(CCO)Cc1ccc(cc1)I 1458a_100011216618_100000189116 [0,2,0,0,0,0|1,0,1]=4 6277 B13R1.19 O=C(CCO)Cc1ccc(cc1)O 1458a_100000198540_100000211926 [0,2,0,0,0,0|1,0,1]=4 6278 B13R1.19 [13CH3]N(CCO)Cc1ccc(cc1)Br 2230a_100000186819_200025704644 [0,2,0,0,0,0|2,0,0]=4 6279 B13R1.19 [13CH3]N(CCO)Cc1ccc(cc1)Br 269982a_100000186819_200025704644 [0,2,0,0,0,0|2,0,0]=4 6280 B13R1.19 [13CH3]N(CCO)Cc1ccc(cc1)Br 34a_100000186819_200025704644 [0,2,0,0,0,0|2,0,0]=4 6281 B13R1.19 [13CH3]N(CCO)Cc1ccc(cc1)F 2230a_100015183715_200025704644 [0,2,0,0,0,0|2,0,0]=4 6282 B13R1.19 [13CH3]N(CCO)Cc1ccc(cc1)F 269982a_100015183715_200025704644 [0,2,0,0,0,0|2,0,0]=4 6283 B13R1.19 [13CH3]N(CCO)Cc1ccc(cc1)F 34a_100015183715_200025704644 [0,2,0,0,0,0|2,0,0]=4 6284 B13R1.19 [13CH3]OCC(N)Cc1ccc(cc1)Cl 34a_100025702442_200025704644 [0,2,0,0,0,0|0,0,0]=2 6285 B13R1.20 CC(CCO)Nc1cccc(c1)Br 34a_100000210019_100009893172 [0,2,0,0,0,0|2,0,0]=4 6286 B13R1.20 CC(CCO)Nc1cccc(c1)Cl 34a_100000185859_100009893172 [0,2,0,0,0,0|2,0,0]=4 6287 B13R1.20 CC(CCO)Nc1cccc(c1)F 34a_100000210047_100009893172 [0,2,0,0,0,0|2,0,0]=4 6288 B13R1.20 CC(CCO)Nc1cccc(c1)I 34a_100000211102_100009893172 [0,2,0,0,0,0|2,0,0]=4 6289 B13R1.20 CC(CCO)Nc1cccc(c1)O 34a_100000210217_100009893172 [0,2,0,0,0,0|2,0,0]=4 6290 B13R1.20 CC(CCO)Oc1cccc(c1)Br 34a_100000210342_100009893172 [0,2,0,0,0,0|2,0,0]=4 6291 B13R1.20 CC(CCO)Oc1cccc(c1)Br 7a_100000210342_100009893172 [0,2,0,0,0,0|2,0,0]=4 6292 B13R1.20 CC(CCO)Oc1cccc(c1)Cl 34a_100000210295_100009893172 [0,2,0,0,0,0|2,0,0]=4 6293 B13R1.20 CC(CCO)Oc1cccc(c1)Cl 7a_100000210295_100009893172 [0,2,0,0,0,0|2,0,0]=4 6294 B13R1.20 CC(CCO)Oc1cccc(c1)F 34a_100000210426_100009893172 [0,2,0,0,0,0|2,0,0]=4 6295 B13R1.20 CC(CCO)Oc1cccc(c1)F 7a_100000210426_100009893172 [0,2,0,0,0,0|2,0,0]=4 6296 B13R1.20 CC(CCO)Oc1cccc(c1)I 34a_100000211634_100009893172 [0,2,0,0,0,0|2,0,0]=4 6297 B13R1.20 CC(CCO)Oc1cccc(c1)I 7a_100000211634_100009893172 [0,2,0,0,0,0|2,0,0]=4 6298 B13R1.20 CC(CCO)Oc1cccc(c1)N 34a_100000210217_100009893172 [0,2,0,0,0,0|2,0,0]=4 6299 B13R1.20 CC(CCO)Sc1cccc(c1)Br 62a_100000691529_100009893172 [0,2,0,0,0,0|2,0,0]=4 6300 B13R1.20 CC(CCO)Sc1cccc(c1)Br 62a_100009893172_100000691529 [0,2,0,0,0,0|2,0,0]=4 6301 B13R1.20 CC(CCO)Sc1cccc(c1)Cl 62a_100000699651_100009893172 [0,2,0,0,0,0|2,0,0]=4 6302 B13R1.20 CC(CCO)Sc1cccc(c1)Cl 62a_100009893172_100000699651 [0,2,0,0,0,0|2,0,0]=4 6303 B13R1.20 CC(CCO)Sc1cccc(c1)F 62a_100000685547_100009893172 [0,2,0,0,0,0|2,0,0]=4 6304 B13R1.20 CC(CCO)Sc1cccc(c1)F 62a_100009893172_100000685547 [0,2,0,0,0,0|2,0,0]=4 6305 B13R1.20 CC(CCO)Sc1cccc(c1)N 62a_100000210019_100009893172 [0,2,0,0,0,0|2,0,0]=4 6306 B13R1.20 CC(CCO)Sc1cccc(c1)N 62a_100009893172_100000210019 [0,2,0,0,0,0|2,0,0]=4 6307 B13R1.20 CC(CCO)Sc1cccc(c1)O 62a_100009893172_100000211634 [0,2,0,0,0,0|2,0,0]=4 6308 B13R1.20 CC(CCO)Sc1cccc(c1)[S] 62a_100009893172_114929384022 [0,2,0,0,0,0|2,0,0]=4 6309 B13R1.20 CC(CCO)Sc1cccc(c1)[S] 62a_114929384022_100009893172 [0,2,0,0,0,0|2,0,0]=4 6310 B13R1.20 CCNC(C)Cc1cccc(c1)Br 270004a_100015525214_100000689217 [0,2,0,0,0,0|2,0,0]=4 6311 B13R1.20 CCNC(C)Cc1cccc(c1)Cl 270004a_100015525214_100000727212 [0,2,0,0,0,0|2,0,0]=4 6312 B13R1.20 CCNC(C)Cc1cccc(c1)F 270004a_100015525214_100000687711 [0,2,0,0,0,0|2,0,0]=4 6313 B13R1.20 CN(CCO)Cc1cccc(c1)Br 2230a_100000187585_100000211926 [0,2,0,0,0,0|2,0,0]=4 6314 B13R1.20 CN(CCO)Cc1cccc(c1)Br 2230a_100000210263_100000698116 [0,2,0,0,0,0|2,0,0]=4 6315 B13R1.20 CN(CCO)Cc1cccc(c1)Br 269982a_100000187585_100000211926 [0,2,0,0,0,0|2,0,0]=4 6316 B13R1.20 CN(CCO)Cc1cccc(c1)Br 269982a_100000210263_100000211773 [0,2,0,0,0,0|2,0,0]=4 6317 B13R1.20 CN(CCO)Cc1cccc(c1)Br 26a_100000210263_100000210342 [0,2,0,0,0,0|2,0,0]=4 6318 B13R1.20 CN(CCO)Cc1cccc(c1)Br 270004a_100000210263_100000210085 [0,2,0,0,0,0|2,0,0]=4 6319 B13R1.20 CN(CCO)Cc1cccc(c1)Cl 2230a_100000210263_100000181238 [0,2,0,0,0,0|2,0,0]=4 6320 B13R1.20 CN(CCO)Cc1cccc(c1)Cl 2230a_100000719050_200000210301 [0,2,0,0,0,0|2,0,0]=4 6321 B13R1.20 CN(CCO)Cc1cccc(c1)Cl 2230a_100020629429_100000211926 [0,2,0,0,0,0|2,0,0]=4 6322 B13R1.20 CN(CCO)Cc1cccc(c1)Cl 269982a_100000210263_100000181238 [0,2,0,0,0,0|2,0,0]=4 6323 B13R1.20 CN(CCO)Cc1cccc(c1)Cl 269982a_100000719050_200000210301 [0,2,0,0,0,0|2,0,0]=4 6324 B13R1.20 CN(CCO)Cc1cccc(c1)Cl 269982a_100020629429_100000211926 [0,2,0,0,0,0|2,0,0]=4 6325 B13R1.20 CN(CCO)Cc1cccc(c1)Cl 270004a_100000210263_100000210801 [0,2,0,0,0,0|2,0,0]=4 6326 B13R1.20 CN(CCO)Cc1cccc(c1)Cl 34a_100000719050_200000210301 [0,2,0,0,0,0|2,0,0]=4 6327 B13R1.20 CN(CCO)Cc1cccc(c1)F 2230a_100000184398_100000211926 [0,2,0,0,0,0|2,0,0]=4 6328 B13R1.20 CN(CCO)Cc1cccc(c1)F 2230a_100000210263_100000230114 [0,2,0,0,0,0|2,0,0]=4 6329 B13R1.20 CN(CCO)Cc1cccc(c1)F 269982a_100000184398_100000211926 [0,2,0,0,0,0|2,0,0]=4 6330 B13R1.20 CN(CCO)Cc1cccc(c1)F 269982a_100000210263_100000230114 [0,2,0,0,0,0|2,0,0]=4 6331 B13R1.20 CN(CCO)Cc1cccc(c1)F 270004a_100000210263_100000210812 [0,2,0,0,0,0|2,0,0]=4 6332 B13R1.20 CN(CCO)Cc1cccc(c1)F 34a_100000184398_100000211926 [0,2,0,0,0,0|2,0,0]=4 6333 B13R1.20 CN(CCO)Cc1cccc(c1)I 2230a_100000210263_100011218688 [0,2,0,0,0,0|2,0,0]=4 6334 B13R1.20 CN(CCO)Cc1cccc(c1)I 269982a_100000210263_100011218688 [0,2,0,0,0,0|2,0,0]=4 6335 B13R1.20 CN(CCO)Cc1cccc(c1)I 270004a_100000210263_100000014684 [0,2,0,0,0,0|2,0,0]=4 6336 B13R1.20 CN(CCO)Cc1cccc(c1)O 2230a_100000207540_100000211926 [0,2,0,0,0,0|2,0,0]=4 6337 B13R1.20 CN(CCO)Cc1cccc(c1)O 2230a_100000210263_100011660834 [0,2,0,0,0,0|2,0,0]=4 6338 B13R1.20 CN(CCO)Cc1cccc(c1)O 269982a_100000207540_100000211926 [0,2,0,0,0,0|2,0,0]=4 6339 B13R1.20 CN(CCO)Cc1cccc(c1)O 269982a_100000210263_100000084143 [0,2,0,0,0,0|2,0,0]=4 6340 B13R1.20 CN(CCO)Cc1cccc(c1)O 270004a_100000210263_100000188321 [0,2,0,0,0,0|2,0,0]=4 6341 B13R1.20 COCC(=O)Cc1cccc(c1)Br 1458a_100000210968_100000211773 [0,2,0,0,0,0|1,0,1]=4 6342 B13R1.20 COCC(=O)Cc1cccc(c1)C 1458a_100000210968_100000211840 [0,2,0,0,0,0|1,0,1]=4 6343 B13R1.20 COCC(=O)Cc1cccc(c1)Cl 1458a_100000210968_100000181238 [0,2,0,0,0,0|1,0,1]=4 6344 B13R1.20 COCC(=O)Cc1cccc(c1)F 1458a_100000210968_100000230114 [0,2,0,0,0,0|1,0,1]=4 6345 B13R1.20 COCC(=O)Cc1cccc(c1)I 1458a_100000210968_100011218688 [0,2,0,0,0,0|1,0,1]=4 6346 B13R1.20 COCC(=O)Cc1cccc(c1)O 1458a_100000210968_100011660834 [0,2,0,0,0,0|1,0,1]=4 6347 B13R1.20 COCC(C)Nc1cccc(c1)Br 34a_100000210019_100000765312 [0,2,0,0,0,0|2,0,0]=4 6348 B13R1.20 COCC(C)Nc1cccc(c1)C 2230a_100000188690_100000765312 [0,2,0,0,0,0|2,0,0]=4 6349 B13R1.20 COCC(C)Nc1cccc(c1)C 34a_100000188690_100000765312 [0,2,0,0,0,0|2,0,0]=4 6350 B13R1.20 COCC(C)Nc1cccc(c1)Cl 34a_100000185859_100000765312 [0,2,0,0,0,0|2,0,0]=4 6351 B13R1.20 COCC(C)Nc1cccc(c1)F 34a_100000210047_100000765312 [0,2,0,0,0,0|2,0,0]=4 6352 B13R1.20 COCC(C)Nc1cccc(c1)I 34a_100000211102_100000765312 [0,2,0,0,0,0|2,0,0]=4 6353 B13R1.20 COCC(C)Nc1cccc(c1)O 34a_100000210217_100000765312 [0,2,0,0,0,0|2,0,0]=4 6354 B13R1.20 COCC(C)Oc1cccc(c1)Br 34a_100000210342_100000765312 [0,2,0,0,0,0|2,0,0]=4 6355 B13R1.20 COCC(C)Oc1cccc(c1)Br 7a_100000210342_100000765312 [0,2,0,0,0,0|2,0,0]=4 6356 B13R1.20 COCC(C)Oc1cccc(c1)C 34a_100000210337_100000765312 [0,2,0,0,0,0|2,0,0]=4 6357 B13R1.20 COCC(C)Oc1cccc(c1)C 7a_100000210337_100000765312 [0,2,0,0,0,0|2,0,0]=4 6358 B13R1.20 COCC(C)Oc1cccc(c1)Cl 34a_100000210295_100000765312 [0,2,0,0,0,0|2,0,0]=4 6359 B13R1.20 COCC(C)Oc1cccc(c1)Cl 7a_100000210295_100000765312 [0,2,0,0,0,0|2,0,0]=4 6360 B13R1.20 COCC(C)Oc1cccc(c1)F 34a_100000210426_100000765312 [0,2,0,0,0,0|2,0,0]=4 6361 B13R1.20 COCC(C)Oc1cccc(c1)F 7a_100000210426_100000765312 [0,2,0,0,0,0|2,0,0]=4 6362 B13R1.20 COCC(C)Oc1cccc(c1)I 34a_100000211634_100000765312 [0,2,0,0,0,0|2,0,0]=4 6363 B13R1.20 COCC(C)Oc1cccc(c1)I 7a_100000211634_100000765312 [0,2,0,0,0,0|2,0,0]=4 6364 B13R1.20 COCC(C)Oc1cccc(c1)N 34a_100000210217_100000765312 [0,2,0,0,0,0|2,0,0]=4 6365 B13R1.20 COCC(C)Sc1cccc(c1)Br 62a_100000691529_100000765312 [0,2,0,0,0,0|2,0,0]=4 6366 B13R1.20 COCC(C)Sc1cccc(c1)Br 62a_100000765312_100000691529 [0,2,0,0,0,0|2,0,0]=4 6367 B13R1.20 COCC(C)Sc1cccc(c1)C 62a_100000765312_100011215228 [0,2,0,0,0,0|2,0,0]=4 6368 B13R1.20 COCC(C)Sc1cccc(c1)C 62a_100011215228_100000765312 [0,2,0,0,0,0|2,0,0]=4 6369 B13R1.20 COCC(C)Sc1cccc(c1)Cl 62a_100000699651_100000765312 [0,2,0,0,0,0|2,0,0]=4 6370 B13R1.20 COCC(C)Sc1cccc(c1)Cl 62a_100000765312_100000699651 [0,2,0,0,0,0|2,0,0]=4 6371 B13R1.20 COCC(C)Sc1cccc(c1)F 62a_100000685547_100000765312 [0,2,0,0,0,0|2,0,0]=4 6372 B13R1.20 COCC(C)Sc1cccc(c1)F 62a_100000765312_100000685547 [0,2,0,0,0,0|2,0,0]=4 6373 B13R1.20 COCC(C)Sc1cccc(c1)N 62a_100000210019_100000765312 [0,2,0,0,0,0|2,0,0]=4 6374 B13R1.20 COCC(C)Sc1cccc(c1)N 62a_100000765312_100000210019 [0,2,0,0,0,0|2,0,0]=4 6375 B13R1.20 COCC(C)Sc1cccc(c1)O 62a_100000765312_100000211634 [0,2,0,0,0,0|2,0,0]=4 6376 B13R1.20 COCC(C)Sc1cccc(c1)[S] 62a_100000765312_114929384022 [0,2,0,0,0,0|2,0,0]=4 6377 B13R1.20 COCC(C)Sc1cccc(c1)[S] 62a_114929384022_100000765312 [0,2,0,0,0,0|2,0,0]=4 6378 B13R1.20 COCC(N)Cc1cccc(c1)Br 34a_114802770106_200000210301 [0,2,0,0,0,0|0,0,0]=2 6379 B13R1.20 COCC(N)Cc1cccc(c1)C 34a_100000716799_200000210301 [0,2,0,0,0,0|0,0,0]=2 6380 B13R1.20 COCC(N)Cc1cccc(c1)F 34a_200012000099_200000210301 [0,2,0,0,0,0|0,0,0]=2 6381 B13R1.20 COCN(C)Cc1cccc(c1)Br 2230a_100000187585_100000766300 [0,2,0,0,0,0|2,0,0]=4 6382 B13R1.20 COCN(C)Cc1cccc(c1)Br 269982a_100000187585_100000766300 [0,2,0,0,0,0|2,0,0]=4 6383 B13R1.20 COCN(C)Cc1cccc(c1)C 2230a_102495364743_100000766300 [0,2,0,0,0,0|2,0,0]=4 6384 B13R1.20 COCN(C)Cc1cccc(c1)C 269982a_102495364743_100000766300 [0,2,0,0,0,0|2,0,0]=4 6385 B13R1.20 COCN(C)Cc1cccc(c1)Cl 2230a_100020629429_100000766300 [0,2,0,0,0,0|2,0,0]=4 6386 B13R1.20 COCN(C)Cc1cccc(c1)Cl 269982a_100020629429_100000766300 [0,2,0,0,0,0|2,0,0]=4 6387 B13R1.20 COCN(C)Cc1cccc(c1)F 2230a_100000184398_100000766300 [0,2,0,0,0,0|2,0,0]=4 6388 B13R1.20 COCN(C)Cc1cccc(c1)F 269982a_100000184398_100000766300 [0,2,0,0,0,0|2,0,0]=4 6389 B13R1.20 COCN(C)Cc1cccc(c1)O 2230a_100000207540_100000766300 [0,2,0,0,0,0|2,0,0]=4 6390 B13R1.20 COCN(C)Cc1cccc(c1)O 269982a_100000207540_100000766300 [0,2,0,0,0,0|2,0,0]=4 6391 B13R1.20 Cc1cccc(c1)CC(=O)CCO 1458a_100011206899_100000211926 [0,2,0,0,0,0|1,0,1]=4 6392 B13R1.20 Cc1cccc(c1)CC(=O)CCO 1458a_100011216618_100000211840 [0,2,0,0,0,0|1,0,1]=4 6393 B13R1.20 Cc1cccc(c1)CC(N)CO[13CH3] 34a_100000716799_200025704644 [0,2,0,0,0,0|0,0,0]=2 6394 B13R1.20 Cc1cccc(c1)CN(C)CCO 2230a_100000210263_100000211840 [0,2,0,0,0,0|2,0,0]=4 6395 B13R1.20 Cc1cccc(c1)CN(C)CCO 2230a_102495364743_100000211926 [0,2,0,0,0,0|2,0,0]=4 6396 B13R1.20 Cc1cccc(c1)CN(C)CCO 269982a_100000210263_100000211840 [0,2,0,0,0,0|2,0,0]=4 6397 B13R1.20 Cc1cccc(c1)CN(C)CCO 269982a_102495364743_100000211926 [0,2,0,0,0,0|2,0,0]=4 6398 B13R1.20 Cc1cccc(c1)CN(C)CCO 270004a_100000210263_100000211157 [0,2,0,0,0,0|2,0,0]=4 6399 B13R1.20 Cc1cccc(c1)CN(C)CCO 34a_102495364743_100000211926 [0,2,0,0,0,0|2,0,0]=4 6400 B13R1.20 Cc1cccc(c1)NC(C)CCO 2230a_100000188690_100009893172 [0,2,0,0,0,0|2,0,0]=4 6401 B13R1.20 Cc1cccc(c1)NC(C)CCO 34a_100000188690_100009893172 [0,2,0,0,0,0|2,0,0]=4 6402 B13R1.20 Cc1cccc(c1)OC(C)CCO 34a_100000210337_100009893172 [0,2,0,0,0,0|2,0,0]=4 6403 B13R1.20 Cc1cccc(c1)OC(C)CCO 7a_100000210337_100009893172 [0,2,0,0,0,0|2,0,0]=4 6404 B13R1.20 Cc1cccc(c1)SC(C)CCO 62a_100009893172_100011215228 [0,2,0,0,0,0|2,0,0]=4 6405 B13R1.20 Cc1cccc(c1)SC(C)CCO 62a_100011215228_100009893172 [0,2,0,0,0,0|2,0,0]=4 6406 B13R1.20 O=C(CCO)Cc1cccc(c1)Br 1458a_100000747190_100000211926 [0,2,0,0,0,0|1,0,1]=4 6407 B13R1.20 O=C(CCO)Cc1cccc(c1)Br 1458a_100011216618_100000211773 [0,2,0,0,0,0|1,0,1]=4 6408 B13R1.20 O=C(CCO)Cc1cccc(c1)Cl 1458a_100000749307_100000211926 [0,2,0,0,0,0|1,0,1]=4 6409 B13R1.20 O=C(CCO)Cc1cccc(c1)Cl 1458a_100011216618_100000181238 [0,2,0,0,0,0|1,0,1]=4 6410 B13R1.20 O=C(CCO)Cc1cccc(c1)F 1458a_100000211661_100000211926 [0,2,0,0,0,0|1,0,1]=4 6411 B13R1.20 O=C(CCO)Cc1cccc(c1)F 1458a_100011216618_100000230114 [0,2,0,0,0,0|1,0,1]=4 6412 B13R1.20 O=C(CCO)Cc1cccc(c1)I 1458a_100000238430_100000211926 [0,2,0,0,0,0|1,0,1]=4 6413 B13R1.20 O=C(CCO)Cc1cccc(c1)I 1458a_100011216618_100011218688 [0,2,0,0,0,0|1,0,1]=4 6414 B13R1.20 O=C(CCO)Cc1cccc(c1)O 1458a_100000745134_100000211926 [0,2,0,0,0,0|1,0,1]=4 6415 B13R1.20 O=C(CCO)Cc1cccc(c1)O 1458a_100011216618_100011660834 [0,2,0,0,0,0|1,0,1]=4 6416 B13R1.20 [13CH3]N(CCO)Cc1cccc(c1)Cl 2230a_100000719050_200025704644 [0,2,0,0,0,0|2,0,0]=4 6417 B13R1.20 [13CH3]N(CCO)Cc1cccc(c1)Cl 269982a_100000719050_200025704644 [0,2,0,0,0,0|2,0,0]=4 6418 B13R1.20 [13CH3]N(CCO)Cc1cccc(c1)Cl 34a_100000719050_200025704644 [0,2,0,0,0,0|2,0,0]=4 6419 B13R1.20 [13CH3]OCC(N)Cc1cccc(c1)Br 34a_114802770106_200025704644 [0,2,0,0,0,0|0,0,0]=2 6420 B13R1.20 [13CH3]OCC(N)Cc1cccc(c1)F 34a_200012000099_200025704644 [0,2,0,0,0,0|0,0,0]=2 6421 B13R1.44 C#CCNC(C)Cc1ccccc1 34a_100000212058_200011218536 [0,2,0,0,0,0|2,0,0]=4 6422 B13R1.44 C#CCOC(C)Cc1ccccc1 34a_100000210247_200011218536 [0,2,0,0,0,0|2,0,0]=4 6423 B13R1.44 C#CCOC(C)Cc1ccccc1 34a_100000748627_100000184674 [0,2,0,0,0,0|2,0,0]=4 6424 B13R1.44 C#CCOC(C)Cc1ccccc1 7a_100000748627_100000038162 [0,2,0,0,0,0|2,0,0]=4 6425 B13R1.44 C#CCSC(C)Cc1ccccc1 62a_100000038162_200011218536 [0,2,0,0,0,0|2,0,0]=4 6426 B13R1.44 C=CCOC(C)Cc1ccccc1 34a_100000748627_100015514636 [0,2,0,0,0,0|2,0,0]=4 6427 B13R1.44 C=CCOC(C)Cc1ccccc1 34a_200000210373_200011218536 [0,2,0,0,0,0|2,0,0]=4 6428 B13R1.44 C=CCOC(C)Cc1ccccc1 7a_100000748627_100015514636 [0,2,0,0,0,0|2,0,0]=4 6429 B13R1.44 C=CCSC(C)Cc1ccccc1 62a_100000210623_200011218536 [0,2,0,0,0,0|2,0,0]=4 6430 B13R1.44 C=CCSC(C)Cc1ccccc1 62a_200011218536_100000210623 [0,2,0,0,0,0|2,0,0]=4 6431 B13R1.44 CC(COCF)Cc1ccccc1 34a_100012125295_100015361967 [0,2,0,0,0,0|1,0,0]=3 6432 B13R1.44 CC(COCF)Cc1ccccc1 7a_100012125295_100015361967 [0,2,0,0,0,0|1,0,0]=3 6433 B13R1.44 CC(COCF)Oc1ccccc1 34a_200000036796_100015361967 [0,2,0,0,0,0|2,0,0]=4 6434 B13R1.44 CC(COCF)Oc1ccccc1 7a_200000036796_100015361967 [0,2,0,0,0,0|2,0,0]=4 6435 B13R1.44 CC(C[n+]1ccccc1)NCCO 270004a_100000210304_100000034229 [0,2,0,0,0,0|2,0,0]=4 6436 B13R1.44 CC(Cc1ccccc1)NCCF 34a_100000724931_200011218536 [0,2,0,0,0,0|2,0,0]=4 6437 B13R1.44 CC(Cc1ccccc1)NCCO 34a_100016990907_200011218536 [0,2,0,0,0,0|1,0,0]=3 6438 B13R1.44 CC(Cc1ccccc1)OCC#N 7a_100000748627_100011215382 [0,2,0,0,0,0|2,0,0]=4 6439 B13R1.44 CC(Cc1ccccc1)OCC=O 34a_100000748627_200009817547 [0,2,0,0,0,0|1,0,1]=4 6440 B13R1.44 CC(Cc1ccccc1)OCC=O 7a_100000748627_200015260668 [0,2,0,0,0,0|1,0,1]=4 6441 B13R1.44 CC(Cc1ccccc1)OCCBr 34a_100000211926_200011218536 [0,2,0,0,0,0|2,0,0]=4 6442 B13R1.44 CC(Cc1ccccc1)OCCF 34a_100000748627_100011217306 [0,2,0,0,0,0|2,0,0]=4 6443 B13R1.44 CC(Cc1ccccc1)OCCF 7a_100000748627_100011217306 [0,2,0,0,0,0|2,0,0]=4 6444 B13R1.44 CC(Cc1ccccc1)OCCN 34a_100000210304_200011218536 [0,2,0,0,0,0|2,0,0]=4 6445 B13R1.44 CC(Cc1ccccc1)OCCO 34a_100000748627_100000211926 [0,2,0,0,0,0|1,0,0]=3 6446 B13R1.44 CC(Cc1ccccc1)OCCO 7a_100000748627_100000211926 [0,2,0,0,0,0|1,0,0]=3 6447 B13R1.44 CC(Cc1ccccc1)SCC#N 62a_100011215382_200011218536 [0,2,0,0,0,0|2,0,0]=4 6448 B13R1.44 CC(Cc1ccccc1)SCC#N 62a_200011218536_100011215382 [0,2,0,0,0,0|2,0,0]=4 6449 B13R1.44 CC(Cc1ccccc1)SCC=O 62a_200011218536_200015260668 [0,2,0,0,0,0|1,0,1]=4 6450 B13R1.44 CC(Cc1ccccc1)SCC=O 62a_200015260668_200011218536 [0,2,0,0,0,0|1,0,1]=4 6451 B13R1.44 CC(Cc1ccccc1)SCCF 62a_100011217306_200011218536 [0,2,0,0,0,0|2,0,0]=4 6452 B13R1.44 CC(Cc1ccccc1)SCCF 62a_200011218536_100011217306 [0,2,0,0,0,0|2,0,0]=4 6453 B13R1.44 CC(Cc1ccccc1)SCCO 62a_100000211926_200011218536 [0,2,0,0,0,0|1,0,0]=3 6454 B13R1.44 CC(Cc1ccccc1)SCCO 62a_200011218536_100000211926 [0,2,0,0,0,0|1,0,0]=3 6455 B13R1.44 CC(Cc1ccccn1)NCCO 2230a_100000238496_100000211926 [0,2,0,0,0,0|2,0,0]=4 6456 B13R1.44 CC(Cc1cccnc1)NCCO 2230a_100011207255_100000211926 [0,2,0,0,0,0|2,0,0]=4 6457 B13R1.44 CC(Cc1cccnc1)NCCO 270004a_100000210304_100015187140 [0,2,0,0,0,0|2,0,0]=4 6458 B13R1.44 CC(Cc1ccncc1)NCCO 270004a_100000210304_100000238508 [0,2,0,0,0,0|2,0,0]=4 6459 B13R1.44 CCCOC(C)Cc1ccccc1 34a_100000210258_200011218536 [0,2,0,0,0,0|2,0,0]=4 6460 B13R1.44 CCCOC(C)Cc1ccccc1 34a_100000748627_100000210303 [0,2,0,0,0,0|2,0,0]=4 6461 B13R1.44 CCCOC(C)Cc1ccccc1 7a_100000748627_100000210303 [0,2,0,0,0,0|2,0,0]=4 6462 B13R1.44 CCCSC(C)Cc1ccccc1 62a_100000210303_200011218536 [0,2,0,0,0,0|2,0,0]=4 6463 B13R1.44 CCCSC(C)Cc1ccccc1 62a_200011218536_100000210303 [0,2,0,0,0,0|2,0,0]=4 6464 B13R1.44 CCNCC(O)Cc1ccccc1 2230a_100000752270_100000210202 [0,2,0,0,0,0|2,0,0]=4 6465 B13R1.44 CCNC[C@@H](O)Cc1ccccc1 2230a_100015525214_100000729385 [0,2,0,0,0,0|2,0,0]=4 6466 B13R1.44 CCOCC(=O)Cc1ccccc1 1458a_100000211967_100015291786 [0,2,0,0,0,0|1,0,1]=4 6467 B13R1.44 CCOCC(C)Cc1ccccc1 34a_100012125295_100000210202 [0,2,0,0,0,0|1,0,0]=3 6468 B13R1.44 CCOCC(C)Cc1ccccc1 7a_100012125295_100000210202 [0,2,0,0,0,0|1,0,0]=3 6469 B13R1.44 CCOCC(C)Oc1ccccc1 34a_200000036796_100000210202 [0,2,0,0,0,0|2,0,0]=4 6470 B13R1.44 CCOCC(C)Oc1ccccc1 7a_200000036796_100000210202 [0,2,0,0,0,0|2,0,0]=4 6471 B13R1.44 CCOCC(N)Cc1ccccc1 34a_100000739027_100000210202 [0,2,0,0,0,0|0,0,0]=2 6472 B13R1.44 CCOCN(C)Cc1ccccc1 269982a_100000186898_100000739092 [0,2,0,0,0,0|2,0,0]=4 6473 B13R1.44 CCOC[C@@H](O)Cc1ccccc1 34a_100121572206_100000729385 [0,2,0,0,0,0|1,0,0]=3 6474 B13R1.44 CCSC[C@@H](O)Cc1ccccc1 62a_100000210202_100000729385 [0,2,0,0,0,0|1,1,0]=4 6475 B13R1.44 CCSC[C@@H](O)Cc1ccccc1 62a_100000729385_100000210202 [0,2,0,0,0,0|1,1,0]=4 6476 B13R1.44 CN(CCCO)Cc1ccccc1 2230a_100000185501_200000210301 [0,2,0,0,0,0|2,0,0]=4 6477 B13R1.44 CN(CCCO)Cc1ccccc1 2230a_100000186898_100000230001 [0,2,0,0,0,0|2,0,0]=4 6478 B13R1.44 CN(CCCO)Cc1ccccc1 2230a_100000213112_100015291786 [0,2,0,0,0,0|2,0,0]=4 6479 B13R1.44 CN(CCCO)Cc1ccccc1 269982a_100000185501_200000210301 [0,2,0,0,0,0|2,0,0]=4 6480 B13R1.44 CN(CCCO)Cc1ccccc1 269982a_100000186898_100011215043 [0,2,0,0,0,0|2,0,0]=4 6481 B13R1.44 CN(CCCO)Cc1ccccc1 269982a_100000213112_100000211182 [0,2,0,0,0,0|2,0,0]=4 6482 B13R1.44 CN(CCCO)Cc1ccccc1 270004a_100000213112_100015611070 [0,2,0,0,0,0|2,0,0]=4 6483 B13R1.44 COCCC(=O)Cc1ccccc1 1458a_100000749529_100015291786 [0,2,0,0,0,0|1,0,1]=4 6484 B13R1.44 COCCN(C)Cc1ccccc1 2230a_100000186898_100011201679 [0,2,0,0,0,0|2,0,0]=4 6485 B13R1.44 COCCN(C)Cc1ccccc1 2230a_100000743101_100015291786 [0,2,0,0,0,0|2,0,0]=4 6486 B13R1.44 COCCN(C)Cc1ccccc1 269982a_100000186898_100000233755 [0,2,0,0,0,0|2,0,0]=4 6487 B13R1.44 COCCN(C)Cc1ccccc1 269982a_100000743101_100000211182 [0,2,0,0,0,0|2,0,0]=4 6488 B13R1.44 COCCN(C)Cc1ccccc1 270004a_100000743101_100015611070 [0,2,0,0,0,0|2,0,0]=4 6489 B13R1.44 COCCN(C)Cc1ccccc1 34a_100138415774_100015196923 [0,2,0,0,0,0|2,0,0]=4 6490 B13R1.44 COCNC(C)Cc1ccccn1 2230a_100000238496_100000766300 [0,2,0,0,0,0|2,0,0]=4 6491 B13R1.44 COCNC(C)Cc1cccnc1 2230a_100011207255_100000766300 [0,2,0,0,0,0|2,0,0]=4 6492 B13R1.44 COCSC(C)Cc1ccccc1 62a_100000766300_200011218536 [0,2,0,0,0,0|1,0,0]=3 6493 B13R1.44 COCSC(C)Cc1ccccc1 62a_200011218536_100000766300 [0,2,0,0,0,0|1,0,0]=3 6494 B13R1.44 CSCOC(C)Cc1ccccc1 34a_100000748627_100011218213 [0,2,0,0,0,0|1,1,0]=4 6495 B13R1.44 CSCSC(C)Cc1ccccc1 62a_100011218213_200011218536 [0,2,0,0,0,0|1,1,0]=4 6496 B13R1.44 CSCSC(C)Cc1ccccc1 62a_200011218536_100011218213 [0,2,0,0,0,0|1,1,0]=4 6497 B13R1.44 NC(COCF)Cc1ccccc1 34a_100000739027_100015361967 [0,2,0,0,0,0|0,0,0]=2 6498 B13R1.44 O=C(C#CCO)Cc1ccccc1 1458a_100000049017_100015291786 [0,2,0,0,0,0|1,0,1]=4 6499 B13R1.44 O[C@H](CSCF)Cc1ccccc1 62a_100000729385_100015361967 [0,2,0,0,0,0|1,1,0]=4 6500 B13R1.44 O[C@H](CSCF)Cc1ccccc1 62a_100015361967_100000729385 [0,2,0,0,0,0|1,1,0]=4 6501 B13R1.44 [13CH3]N(CCCO)Cc1ccccc1 2230a_100000185501_200025704644 [0,2,0,0,0,0|2,0,0]=4 6502 B13R1.44 [13CH3]N(CCCO)Cc1ccccc1 269982a_100000185501_200025704644 [0,2,0,0,0,0|2,0,0]=4 6503 B13R1.47 CC(C(=O)CCO)c1ccccc1 1458a_100011216618_100000230085 [0,2,0,0,0,0|1,0,1]=4 6504 B13R1.47 CC(CCO)C(=O)c1ccccc1 1458a_100000185807_100009893172 [0,2,0,0,0,0|1,0,1]=4 6505 B13R1.47 CC(CCO)N(C)c1ccccc1 2230a_100000210012_100009893172 [0,2,0,0,0,0|2,0,0]=4 6506 B13R1.47 CC(CCO)N(C)c1ccccc1 269982a_100000210012_100009893172 [0,2,0,0,0,0|2,0,0]=4 6507 B13R1.47 CC(CCO)N(C)c1ccccc1 34a_100000210012_100009893172 [0,2,0,0,0,0|2,0,0]=4 6508 B13R1.47 CC(c1ccccc1)N(C)CCO 2230a_100000195388_100000211926 [0,2,0,0,0,0|2,0,0]=4 6509 B13R1.47 CC(c1ccccc1)N(C)CCO 2230a_100000210263_100000230085 [0,2,0,0,0,0|2,0,0]=4 6510 B13R1.47 CC(c1ccccc1)N(C)CCO 269982a_100000195388_100000211926 [0,2,0,0,0,0|2,0,0]=4 6511 B13R1.47 CC(c1ccccc1)N(C)CCO 269982a_100000210263_100000230085 [0,2,0,0,0,0|2,0,0]=4 6512 B13R1.47 CCO[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_100000210202 [0,2,0,0,0,0|2,0,0]=4 6513 B13R1.47 COCC(=O)C(C)c1ccccc1 1458a_100000210968_100000230085 [0,2,0,0,0,0|1,0,1]=4 6514 B13R1.47 COCC(C)C(=O)c1ccccc1 1458a_100000185807_100000765312 [0,2,0,0,0,0|1,0,1]=4 6515 B13R1.47 COCC(C)N(C)c1ccccc1 2230a_100000210012_100000765312 [0,2,0,0,0,0|2,0,0]=4 6516 B13R1.47 COCC(C)N(C)c1ccccc1 2230a_100011695367_200000210301 [0,2,0,0,0,0|2,0,0]=4 6517 B13R1.47 COCC(C)N(C)c1ccccc1 269982a_100000210012_100000765312 [0,2,0,0,0,0|2,0,0]=4 6518 B13R1.47 COCC(C)N(C)c1ccccc1 269982a_100011695367_200000210301 [0,2,0,0,0,0|2,0,0]=4 6519 B13R1.47 COCC(C)N(C)c1ccccc1 34a_100000210012_100000765312 [0,2,0,0,0,0|2,0,0]=4 6520 B13R1.47 COCC(C)N(C)c1ccccc1 34a_100011695367_200000210301 [0,2,0,0,0,0|2,0,0]=4 6521 B13R1.47 COCC(C)N([13CH3])c1ccccc1 2230a_100011695367_200025704644 [0,2,0,0,0,0|2,0,0]=4 6522 B13R1.47 COCC(C)N([13CH3])c1ccccc1 269982a_100011695367_200025704644 [0,2,0,0,0,0|2,0,0]=4 6523 B13R1.47 COCC(C)N([13CH3])c1ccccc1 34a_100011695367_200025704644 [0,2,0,0,0,0|2,0,0]=4 6524 B13R1.47 COCN(C)C(C)c1ccccc1 2230a_100000195388_100000766300 [0,2,0,0,0,0|2,0,0]=4 6525 B13R1.47 COCN(C)C(C)c1ccccc1 269982a_100000195388_100000766300 [0,2,0,0,0,0|2,0,0]=4 6526 B13R1.47 C[C@H](C(=O)CCO)c1ccccc1 1458a_100000751047_100000211926 [0,2,0,0,0,0|1,0,1]=4 6527 B13R1.47 C[C@H](OCF)[C@@H](N)c1ccccc1 34a_100134616770_100015361967 [0,2,0,0,0,0|2,0,0]=4 6528 B13R1.47 C[C@H](c1ccccc1)N(C)CCO 2230a_100000753783_200000210301 [0,2,0,0,0,0|2,0,0]=4 6529 B13R1.47 C[C@H](c1ccccc1)N(C)CCO 269982a_100000753783_200000210301 [0,2,0,0,0,0|2,0,0]=4 6530 B13R1.47 C[C@H](c1ccccc1)N([13CH3])CCO 2230a_100000753783_200025704644 [0,2,0,0,0,0|2,0,0]=4 6531 B13R1.47 C[C@H](c1ccccc1)N([13CH3])CCO 269982a_100000753783_200025704644 [0,2,0,0,0,0|2,0,0]=4 6532 B13R1.47 O=C(CCO)C(F)c1ccccc1 1458a_100000698975_100000211926 [0,2,0,0,0,0|1,0,1]=4 6533 B13R1.47 O=C(CCO)[C@H](O)c1ccccc1 1458a_100000684486_100000211926 [0,2,0,0,0,0|1,0,1]=4 6534 B13R1.79 C#CC(Cc1ccccc1)OCC 34a_100000685211_100000210202 [0,2,0,0,0,0|2,0,0]=4 6535 B13R1.79 C#CC(Cc1ccccc1)OCC 7a_100000685211_100000210202 [0,2,0,0,0,0|2,0,0]=4 6536 B13R1.79 C#CC(Cc1ccccc1)OCF 34a_100000685211_100015361967 [0,2,0,0,0,0|2,0,0]=4 6537 B13R1.79 C#CC(Cc1ccccc1)OCF 7a_100000685211_100015361967 [0,2,0,0,0,0|2,0,0]=4 6538 B13R1.79 CCC(Cc1ccccc1)OCF 7a_100000760156_100015361967 [0,2,0,0,0,0|2,0,0]=4 6539 B13R1.79 CCN(CCO)Cc1ccccc1 2230a_100000180844_100000210202 [0,2,0,0,0,0|2,0,0]=4 6540 B13R1.79 CCN(CCO)Cc1ccccc1 2230a_100000186914_100000211926 [0,2,0,0,0,0|2,0,0]=4 6541 B13R1.79 CCN(CCO)Cc1ccccc1 2230a_100000210973_100015291786 [0,2,0,0,0,0|2,0,0]=4 6542 B13R1.79 CCN(CCO)Cc1ccccc1 269982a_100000180844_100000204670 [0,2,0,0,0,0|2,0,0]=4 6543 B13R1.79 CCN(CCO)Cc1ccccc1 269982a_100000186914_100000211926 [0,2,0,0,0,0|2,0,0]=4 6544 B13R1.79 CCN(CCO)Cc1ccccc1 269982a_100000210973_100000211182 [0,2,0,0,0,0|2,0,0]=4 6545 B13R1.79 CCN(CCO)Cc1ccccc1 270004a_100000210973_100015611070 [0,2,0,0,0,0|2,0,0]=4 6546 B13R1.79 CCN(COC)Cc1ccccc1 2230a_100000186914_100000766300 [0,2,0,0,0,0|2,0,0]=4 6547 B13R1.79 CCN(COC)Cc1ccccc1 269982a_100000186914_100000766300 [0,2,0,0,0,0|2,0,0]=4 6548 B13R1.79 CCNC(C#N)Cc1ccccc1 2230a_100000746547_100000210202 [0,2,0,0,0,0|1,0,1]=4 6549 B13R1.79 CCNC(CC)Cc1ccccc1 270004a_100015525214_100000212045 [0,2,0,0,0,0|1,0,0]=3 6550 B13R1.79 CCNC(CO)Cc1ccccc1 2230a_100000739027_100000210202 [0,2,0,0,0,0|0,0,0]=2 6551 B13R1.79 CCNC(CO)Cc1cccnc1 2230a_100000717814_100000210202 [0,2,0,0,0,0|1,0,0]=3 6552 B13R1.79 CCNC(CO)Cc1ccncc1 2230a_100000717866_100000210202 [0,2,0,0,0,0|1,0,0]=3 6553 B13R1.79 CCOC(CC)Cc1ccccc1 7a_100000760156_100000210202 [0,2,0,0,0,0|2,0,0]=4 6554 B13R1.79 CCOC(CN)Cc1ccccc1 34a_100000752270_100000210202 [0,2,0,0,0,0|1,0,0]=3 6555 B13R1.79 CCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100000210202 [0,2,0,0,0,0|2,0,0]=4 6556 B13R1.79 CCSC(C#N)Cc1ccccc1 62a_100000183401_100000210202 [0,2,0,0,0,0|1,0,1]=4 6557 B13R1.79 CCSC(C#N)Cc1ccccc1 62a_100000210202_100000183401 [0,2,0,0,0,0|1,0,1]=4 6558 B13R1.79 CNC(COC)Cc1ccccc1 2230a_100000766165_200000210301 [0,2,0,0,0,0|0,0,0]=2 6559 B13R1.79 CNCC(CO)Cc1ccccc1 34a_100160572655_200000210301 [0,2,0,0,0,0|0,0,0]=2 6560 B13R1.79 CN[C@H](COC)Cc1ccccc1 34a_100016995599_200000210301 [0,2,0,0,0,0|0,0,0]=2 6561 B13R1.79 CN[C@H](CO[13CH3])Cc1ccccc1 34a_100016995599_200025704644 [0,2,0,0,0,0|0,0,0]=2 6562 B13R1.79 COCC(C#N)Cc1ccccc1 34a_100000684917_200000210301 [0,2,0,0,0,0|0,0,1]=3 6563 B13R1.79 COCC(C#N)Cc1ccccc1 7a_100000684917_200000210301 [0,2,0,0,0,0|0,0,1]=3 6564 B13R1.79 COCC(CN)Cc1ccccc1 34a_100160572655_200000210301 [0,2,0,0,0,0|0,0,0]=2 6565 B13R1.79 COCC(Cc1ccccc1)N[13CH3] 2230a_100000766165_200025704644 [0,2,0,0,0,0|0,0,0]=2 6566 B13R1.79 FCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100015361967 [0,2,0,0,0,0|2,0,0]=4 6567 B13R1.79 N#CC(Cc1ccccc1)SCF 62a_100000183401_100015361967 [0,2,0,0,0,0|1,0,1]=4 6568 B13R1.79 N#CC(Cc1ccccc1)SCF 62a_100015361967_100000183401 [0,2,0,0,0,0|1,0,1]=4 6569 B13R1.79 NCC(Cc1ccccc1)OCF 34a_100000752270_100015361967 [0,2,0,0,0,0|1,0,0]=3 6570 B13R1.79 OCCN(CF)Cc1ccccc1 269982a_100000180844_100015361967 [0,2,0,0,0,0|2,0,0]=4 6571 B13R1.79 [13CH3]NCC(CO)Cc1ccccc1 34a_100160572655_200025704644 [0,2,0,0,0,0|0,0,0]=2 6572 B13R1.79 [13CH3]OCC(C#N)Cc1ccccc1 34a_100000684917_200025704644 [0,2,0,0,0,0|0,0,1]=3 6573 B13R1.79 [13CH3]OCC(C#N)Cc1ccccc1 7a_100000684917_200025704644 [0,2,0,0,0,0|0,0,1]=3 6574 B13R1.79 [13CH3]OCC(CN)Cc1ccccc1 34a_100160572655_200025704644 [0,2,0,0,0,0|0,0,0]=2 6575 B13R1.348 CC(C)NC(C)Cc1ccccc1 34a_100138425928_200011218536 [0,2,0,0,0,0|2,0,0]=4 6576 B13R1.348 CC(C)OC(C)Cc1ccccc1 34a_100000212225_200011218536 [0,2,0,0,0,0|2,0,0]=4 6577 B13R1.348 CC(C)OC(C)Cc1ccccc1 34a_100000748627_100000210206 [0,2,0,0,0,0|2,0,0]=4 6578 B13R1.348 CC(C)OC(C)Cc1ccccc1 7a_100000748627_100000210206 [0,2,0,0,0,0|2,0,0]=4 6579 B13R1.348 CC(C)SC(C)Cc1ccccc1 62a_100000210206_200011218536 [0,2,0,0,0,0|2,0,0]=4 6580 B13R1.348 CC(C)SC(C)Cc1ccccc1 62a_200011218536_100000210206 [0,2,0,0,0,0|2,0,0]=4 6581 B13R1.348 CC(O)CN(C)Cc1ccccc1 2230a_100000186898_100011218427 [0,2,0,0,0,0|2,0,0]=4 6582 B13R1.348 CC(O)CN(C)Cc1ccccc1 2230a_100000189065_200000210301 [0,2,0,0,0,0|2,0,0]=4 6583 B13R1.348 CC(O)CN(C)Cc1ccccc1 2230a_100000227577_100015291786 [0,2,0,0,0,0|2,0,0]=4 6584 B13R1.348 CC(O)CN(C)Cc1ccccc1 269982a_100000186898_100011218427 [0,2,0,0,0,0|2,0,0]=4 6585 B13R1.348 CC(O)CN(C)Cc1ccccc1 269982a_100000189065_200000210301 [0,2,0,0,0,0|2,0,0]=4 6586 B13R1.348 CC(O)CN(C)Cc1ccccc1 269982a_100000227577_100000211182 [0,2,0,0,0,0|2,0,0]=4 6587 B13R1.348 CC(O)CN(C)Cc1ccccc1 270004a_100000227577_100015611070 [0,2,0,0,0,0|2,0,0]=4 6588 B13R1.348 CC(O)CN([13CH3])Cc1ccccc1 2230a_100000189065_200025704644 [0,2,0,0,0,0|2,0,0]=4 6589 B13R1.348 CC(O)CN([13CH3])Cc1ccccc1 269982a_100000189065_200025704644 [0,2,0,0,0,0|2,0,0]=4 6590 B13R1.348 CN(C)C[C@@H](O)Cc1ccccc1 2230a_100102631434_100000729385 [0,2,0,0,0,0|2,0,0]=4 6591 B13R1.348 CN(C)C[C@@H](O)Cc1ccccc1 269982a_100102631434_100000729385 [0,2,0,0,0,0|2,0,0]=4 6592 B13R1.348 CN(CC(=O)O)Cc1ccccc1 269956a_100000745947_200000210301 [0,2,0,0,0,0|2,0,0]=4 6593 B13R1.348 CN(CC(=O)O)Cc1ccccc1 269956a_100000746989_100015291786 [0,2,0,0,0,0|2,0,0]=4 6594 B13R1.348 C[C@@H](O)CC(=O)Cc1ccccc1 1458a_100011933948_100015291786 [0,2,0,0,0,0|1,0,1]=4 6595 B13R1.348 C[C@@H](O)CN(C)Cc1ccccc1 2230a_100000186898_100009817552 [0,2,0,0,0,0|2,0,0]=4 6596 B13R1.348 C[C@@H](O)CN(C)Cc1ccccc1 269982a_100000186898_100009817552 [0,2,0,0,0,0|2,0,0]=4 6597 B13R1.348 [13CH3]N(CC(=O)O)Cc1ccccc1 269956a_100000745947_200025704644 [0,2,0,0,0,0|2,0,0]=4 6598 B13R1.470 CC(CCO)Nc1ccccc1Br 34a_100000210017_100009893172 [0,2,0,0,0,0|2,0,0]=4 6599 B13R1.470 CC(CCO)Nc1ccccc1Cl 34a_100000185783_100009893172 [0,2,0,0,0,0|2,0,0]=4 6600 B13R1.470 CC(CCO)Nc1ccccc1F 34a_100000210422_100009893172 [0,2,0,0,0,0|2,0,0]=4 6601 B13R1.470 CC(CCO)Nc1ccccc1I 34a_100000210053_100009893172 [0,2,0,0,0,0|2,0,0]=4 6602 B13R1.470 CC(CCO)Nc1ccccc1O 34a_100000185747_100009893172 [0,2,0,0,0,0|2,0,0]=4 6603 B13R1.470 CC(CCO)Oc1ccccc1Br 34a_100000181306_100009893172 [0,2,0,0,0,0|2,0,0]=4 6604 B13R1.470 CC(CCO)Oc1ccccc1Br 7a_100000181306_100009893172 [0,2,0,0,0,0|2,0,0]=4 6605 B13R1.470 CC(CCO)Oc1ccccc1Cl 34a_100000210172_100009893172 [0,2,0,0,0,0|2,0,0]=4 6606 B13R1.470 CC(CCO)Oc1ccccc1Cl 7a_100000210172_100009893172 [0,2,0,0,0,0|2,0,0]=4 6607 B13R1.470 CC(CCO)Oc1ccccc1F 34a_100000210171_100009893172 [0,2,0,0,0,0|2,0,0]=4 6608 B13R1.470 CC(CCO)Oc1ccccc1F 7a_100000210171_100009893172 [0,2,0,0,0,0|2,0,0]=4 6609 B13R1.470 CC(CCO)Oc1ccccc1I 34a_100000739446_100009893172 [0,2,0,0,0,0|2,0,0]=4 6610 B13R1.470 CC(CCO)Oc1ccccc1I 7a_100000739446_100009893172 [0,2,0,0,0,0|2,0,0]=4 6611 B13R1.470 CC(CCO)Oc1ccccc1N 34a_100000185747_100009893172 [0,2,0,0,0,0|2,0,0]=4 6612 B13R1.470 CC(CCO)Oc1ccccc1N 7a_100000185747_100009893172 [0,2,0,0,0,0|2,0,0]=4 6613 B13R1.470 CC(CCO)Sc1ccccc1Br 62a_100000695589_100009893172 [0,2,0,0,0,0|2,0,0]=4 6614 B13R1.470 CC(CCO)Sc1ccccc1Br 62a_100009893172_100000695589 [0,2,0,0,0,0|2,0,0]=4 6615 B13R1.470 CC(CCO)Sc1ccccc1Cl 62a_100000764095_100009893172 [0,2,0,0,0,0|2,0,0]=4 6616 B13R1.470 CC(CCO)Sc1ccccc1Cl 62a_100009893172_100000764095 [0,2,0,0,0,0|2,0,0]=4 6617 B13R1.470 CC(CCO)Sc1ccccc1F 62a_100009893172_100011215700 [0,2,0,0,0,0|2,0,0]=4 6618 B13R1.470 CC(CCO)Sc1ccccc1F 62a_100011215700_100009893172 [0,2,0,0,0,0|2,0,0]=4 6619 B13R1.470 CC(CCO)Sc1ccccc1N 62a_100000210017_100009893172 [0,2,0,0,0,0|2,0,0]=4 6620 B13R1.470 CC(CCO)Sc1ccccc1N 62a_100009893172_100000210017 [0,2,0,0,0,0|2,0,0]=4 6621 B13R1.470 CC(CCO)Sc1ccccc1O 62a_100000739446_100009893172 [0,2,0,0,0,0|2,0,0]=4 6622 B13R1.470 CC(CCO)Sc1ccccc1O 62a_100009893172_100000739446 [0,2,0,0,0,0|2,0,0]=4 6623 B13R1.470 CCNC(C)Cc1ccccc1Br 270004a_100015525214_100011350739 [0,2,0,0,0,0|2,0,0]=4 6624 B13R1.470 CCNC(C)Cc1ccccc1C 270004a_100015525214_200000764500 [0,2,0,0,0,0|2,0,0]=4 6625 B13R1.470 CCNC(C)Cc1ccccc1Cl 270004a_100015525214_100000758791 [0,2,0,0,0,0|2,0,0]=4 6626 B13R1.470 CCNC(C)Cc1ccccc1F 270004a_100015525214_100000709178 [0,2,0,0,0,0|2,0,0]=4 6627 B13R1.470 CN(CCO)Cc1ccccc1Br 2230a_100000184654_100000211926 [0,2,0,0,0,0|2,0,0]=4 6628 B13R1.470 CN(CCO)Cc1ccccc1Br 2230a_100000210263_100000184730 [0,2,0,0,0,0|2,0,0]=4 6629 B13R1.470 CN(CCO)Cc1ccccc1Br 2230a_106744479749_200000210301 [0,2,0,0,0,0|2,0,0]=4 6630 B13R1.470 CN(CCO)Cc1ccccc1Br 269982a_100000184654_100000211926 [0,2,0,0,0,0|2,0,0]=4 6631 B13R1.470 CN(CCO)Cc1ccccc1Br 269982a_100000210263_100000184730 [0,2,0,0,0,0|2,0,0]=4 6632 B13R1.470 CN(CCO)Cc1ccccc1Br 269982a_106744479749_200000210301 [0,2,0,0,0,0|2,0,0]=4 6633 B13R1.470 CN(CCO)Cc1ccccc1Br 26a_100000210263_100000181306 [0,2,0,0,0,0|2,0,0]=4 6634 B13R1.470 CN(CCO)Cc1ccccc1Br 270004a_100000210263_100000211189 [0,2,0,0,0,0|2,0,0]=4 6635 B13R1.470 CN(CCO)Cc1ccccc1Cl 2230a_100000184507_100000211926 [0,2,0,0,0,0|2,0,0]=4 6636 B13R1.470 CN(CCO)Cc1ccccc1Cl 2230a_100000210263_100000187162 [0,2,0,0,0,0|2,0,0]=4 6637 B13R1.470 CN(CCO)Cc1ccccc1Cl 2230a_100015187164_200000210301 [0,2,0,0,0,0|2,0,0]=4 6638 B13R1.470 CN(CCO)Cc1ccccc1Cl 269982a_100000184507_100000211926 [0,2,0,0,0,0|2,0,0]=4 6639 B13R1.470 CN(CCO)Cc1ccccc1Cl 269982a_100000210263_100000187162 [0,2,0,0,0,0|2,0,0]=4 6640 B13R1.470 CN(CCO)Cc1ccccc1Cl 269982a_100015187164_200000210301 [0,2,0,0,0,0|2,0,0]=4 6641 B13R1.470 CN(CCO)Cc1ccccc1Cl 26a_100000210263_100000210172 [0,2,0,0,0,0|2,0,0]=4 6642 B13R1.470 CN(CCO)Cc1ccccc1Cl 270004a_100000210263_100000210073 [0,2,0,0,0,0|2,0,0]=4 6643 B13R1.470 CN(CCO)Cc1ccccc1Cl 34a_100015187164_200000210301 [0,2,0,0,0,0|2,0,0]=4 6644 B13R1.470 CN(CCO)Cc1ccccc1F 2230a_100000210263_100000211605 [0,2,0,0,0,0|2,0,0]=4 6645 B13R1.470 CN(CCO)Cc1ccccc1F 2230a_100000742528_100000211926 [0,2,0,0,0,0|2,0,0]=4 6646 B13R1.470 CN(CCO)Cc1ccccc1F 269982a_100000210263_100000211605 [0,2,0,0,0,0|2,0,0]=4 6647 B13R1.470 CN(CCO)Cc1ccccc1F 269982a_100000742528_100000211926 [0,2,0,0,0,0|2,0,0]=4 6648 B13R1.470 CN(CCO)Cc1ccccc1F 270004a_100000210263_100000210811 [0,2,0,0,0,0|2,0,0]=4 6649 B13R1.470 CN(CCO)Cc1ccccc1F 34a_100000742528_100000211926 [0,2,0,0,0,0|2,0,0]=4 6650 B13R1.470 CN(CCO)Cc1ccccc1I 2230a_100000210263_100011215278 [0,2,0,0,0,0|2,0,0]=4 6651 B13R1.470 CN(CCO)Cc1ccccc1I 269982a_100000210263_100011215278 [0,2,0,0,0,0|2,0,0]=4 6652 B13R1.470 CN(CCO)Cc1ccccc1I 270004a_100000210263_100000010305 [0,2,0,0,0,0|2,0,0]=4 6653 B13R1.470 CN(CCO)Cc1ccccc1O 2230a_100015189988_100000211926 [0,2,0,0,0,0|2,0,0]=4 6654 B13R1.470 CN(CCO)Cc1ccccc1O 269982a_100015189988_100000211926 [0,2,0,0,0,0|2,0,0]=4 6655 B13R1.470 COCC(=O)Cc1ccccc1Br 1458a_100000210968_100000184730 [0,2,0,0,0,0|1,0,1]=4 6656 B13R1.470 COCC(=O)Cc1ccccc1Br 34a_100138415774_100000700504 [0,2,0,0,0,0|1,0,1]=4 6657 B13R1.470 COCC(=O)Cc1ccccc1C 1458a_100000210968_100000211839 [0,2,0,0,0,0|1,0,1]=4 6658 B13R1.470 COCC(=O)Cc1ccccc1Cl 1458a_100000210968_100000187162 [0,2,0,0,0,0|1,0,1]=4 6659 B13R1.470 COCC(=O)Cc1ccccc1F 1458a_100000210968_100000187165 [0,2,0,0,0,0|1,0,1]=4 6660 B13R1.470 COCC(=O)Cc1ccccc1I 1458a_100000210968_100011216222 [0,2,0,0,0,0|1,0,1]=4 6661 B13R1.470 COCC(C)Nc1ccccc1Br 34a_100000210017_100000765312 [0,2,0,0,0,0|2,0,0]=4 6662 B13R1.470 COCC(C)Nc1ccccc1C 34a_100015192222_100000765312 [0,2,0,0,0,0|2,0,0]=4 6663 B13R1.470 COCC(C)Nc1ccccc1Cl 34a_100000185783_100000765312 [0,2,0,0,0,0|2,0,0]=4 6664 B13R1.470 COCC(C)Nc1ccccc1F 34a_100000210422_100000765312 [0,2,0,0,0,0|2,0,0]=4 6665 B13R1.470 COCC(C)Nc1ccccc1I 34a_100000210053_100000765312 [0,2,0,0,0,0|2,0,0]=4 6666 B13R1.470 COCC(C)Nc1ccccc1O 34a_100000185747_100000765312 [0,2,0,0,0,0|2,0,0]=4 6667 B13R1.470 COCC(C)Oc1ccccc1Br 34a_100000181306_100000765312 [0,2,0,0,0,0|2,0,0]=4 6668 B13R1.470 COCC(C)Oc1ccccc1Br 7a_100000181306_100000765312 [0,2,0,0,0,0|2,0,0]=4 6669 B13R1.470 COCC(C)Oc1ccccc1C 34a_100000210338_100000765312 [0,2,0,0,0,0|2,0,0]=4 6670 B13R1.470 COCC(C)Oc1ccccc1C 7a_100000210338_100000765312 [0,2,0,0,0,0|2,0,0]=4 6671 B13R1.470 COCC(C)Oc1ccccc1Cl 34a_100000210172_100000765312 [0,2,0,0,0,0|2,0,0]=4 6672 B13R1.470 COCC(C)Oc1ccccc1Cl 7a_100000210172_100000765312 [0,2,0,0,0,0|2,0,0]=4 6673 B13R1.470 COCC(C)Oc1ccccc1F 34a_100000210171_100000765312 [0,2,0,0,0,0|2,0,0]=4 6674 B13R1.470 COCC(C)Oc1ccccc1F 7a_100000210171_100000765312 [0,2,0,0,0,0|2,0,0]=4 6675 B13R1.470 COCC(C)Oc1ccccc1I 34a_100000739446_100000765312 [0,2,0,0,0,0|2,0,0]=4 6676 B13R1.470 COCC(C)Oc1ccccc1I 7a_100000739446_100000765312 [0,2,0,0,0,0|2,0,0]=4 6677 B13R1.470 COCC(C)Oc1ccccc1N 34a_100000185747_100000765312 [0,2,0,0,0,0|2,0,0]=4 6678 B13R1.470 COCC(C)Oc1ccccc1N 7a_100000185747_100000765312 [0,2,0,0,0,0|2,0,0]=4 6679 B13R1.470 COCC(C)Sc1ccccc1Br 62a_100000695589_100000765312 [0,2,0,0,0,0|2,0,0]=4 6680 B13R1.470 COCC(C)Sc1ccccc1Br 62a_100000765312_100000695589 [0,2,0,0,0,0|2,0,0]=4 6681 B13R1.470 COCC(C)Sc1ccccc1C 62a_100000210755_100000765312 [0,2,0,0,0,0|2,0,0]=4 6682 B13R1.470 COCC(C)Sc1ccccc1C 62a_100000765312_100000210755 [0,2,0,0,0,0|2,0,0]=4 6683 B13R1.470 COCC(C)Sc1ccccc1Cl 62a_100000764095_100000765312 [0,2,0,0,0,0|2,0,0]=4 6684 B13R1.470 COCC(C)Sc1ccccc1Cl 62a_100000765312_100000764095 [0,2,0,0,0,0|2,0,0]=4 6685 B13R1.470 COCC(C)Sc1ccccc1F 62a_100000765312_100011215700 [0,2,0,0,0,0|2,0,0]=4 6686 B13R1.470 COCC(C)Sc1ccccc1F 62a_100011215700_100000765312 [0,2,0,0,0,0|2,0,0]=4 6687 B13R1.470 COCC(C)Sc1ccccc1N 62a_100000210017_100000765312 [0,2,0,0,0,0|2,0,0]=4 6688 B13R1.470 COCC(C)Sc1ccccc1N 62a_100000765312_100000210017 [0,2,0,0,0,0|2,0,0]=4 6689 B13R1.470 COCC(C)Sc1ccccc1O 62a_100000739446_100000765312 [0,2,0,0,0,0|2,0,0]=4 6690 B13R1.470 COCC(C)Sc1ccccc1O 62a_100000765312_100000739446 [0,2,0,0,0,0|2,0,0]=4 6691 B13R1.470 COCC(N)Cc1ccccc1Cl 34a_100012001541_200000210301 [0,2,0,0,0,0|0,0,0]=2 6692 B13R1.470 COCN(C)Cc1ccccc1Br 2230a_100000184654_100000766300 [0,2,0,0,0,0|2,0,0]=4 6693 B13R1.470 COCN(C)Cc1ccccc1Br 269982a_100000184654_100000766300 [0,2,0,0,0,0|2,0,0]=4 6694 B13R1.470 COCN(C)Cc1ccccc1C 2230a_100000184421_100000766300 [0,2,0,0,0,0|2,0,0]=4 6695 B13R1.470 COCN(C)Cc1ccccc1C 269982a_100000184421_100000766300 [0,2,0,0,0,0|2,0,0]=4 6696 B13R1.470 COCN(C)Cc1ccccc1Cl 2230a_100000184507_100000766300 [0,2,0,0,0,0|2,0,0]=4 6697 B13R1.470 COCN(C)Cc1ccccc1Cl 269982a_100000184507_100000766300 [0,2,0,0,0,0|2,0,0]=4 6698 B13R1.470 COCN(C)Cc1ccccc1F 2230a_100000742528_100000766300 [0,2,0,0,0,0|2,0,0]=4 6699 B13R1.470 COCN(C)Cc1ccccc1F 269982a_100000742528_100000766300 [0,2,0,0,0,0|2,0,0]=4 6700 B13R1.470 COCN(C)Cc1ccccc1O 2230a_100015189988_100000766300 [0,2,0,0,0,0|2,0,0]=4 6701 B13R1.470 COCN(C)Cc1ccccc1O 269982a_100015189988_100000766300 [0,2,0,0,0,0|2,0,0]=4 6702 B13R1.470 Cc1ccccc1CC(=O)CCO 1458a_100000212180_100000211926 [0,2,0,0,0,0|1,0,1]=4 6703 B13R1.470 Cc1ccccc1CC(=O)CCO 1458a_100011216618_100000211839 [0,2,0,0,0,0|1,0,1]=4 6704 B13R1.470 Cc1ccccc1CN(C)CCO 2230a_100000184421_100000211926 [0,2,0,0,0,0|2,0,0]=4 6705 B13R1.470 Cc1ccccc1CN(C)CCO 2230a_100000210263_100000211839 [0,2,0,0,0,0|2,0,0]=4 6706 B13R1.470 Cc1ccccc1CN(C)CCO 269982a_100000184421_100000211926 [0,2,0,0,0,0|2,0,0]=4 6707 B13R1.470 Cc1ccccc1CN(C)CCO 269982a_100000210263_100000211839 [0,2,0,0,0,0|2,0,0]=4 6708 B13R1.470 Cc1ccccc1CN(C)CCO 270004a_100000210263_100000211143 [0,2,0,0,0,0|2,0,0]=4 6709 B13R1.470 Cc1ccccc1NC(C)CCO 34a_100015192222_100009893172 [0,2,0,0,0,0|2,0,0]=4 6710 B13R1.470 Cc1ccccc1OC(C)CCO 34a_100000210338_100009893172 [0,2,0,0,0,0|2,0,0]=4 6711 B13R1.470 Cc1ccccc1OC(C)CCO 7a_100000210338_100009893172 [0,2,0,0,0,0|2,0,0]=4 6712 B13R1.470 Cc1ccccc1SC(C)CCO 62a_100000210755_100009893172 [0,2,0,0,0,0|2,0,0]=4 6713 B13R1.470 Cc1ccccc1SC(C)CCO 62a_100009893172_100000210755 [0,2,0,0,0,0|2,0,0]=4 6714 B13R1.470 O=C(CCO)Cc1ccccc1Br 1458a_100000751119_100000211926 [0,2,0,0,0,0|1,0,1]=4 6715 B13R1.470 O=C(CCO)Cc1ccccc1Br 1458a_100011216618_100000184730 [0,2,0,0,0,0|1,0,1]=4 6716 B13R1.470 O=C(CCO)Cc1ccccc1Cl 1458a_100000183793_100000211926 [0,2,0,0,0,0|1,0,1]=4 6717 B13R1.470 O=C(CCO)Cc1ccccc1Cl 1458a_100011216618_100000187162 [0,2,0,0,0,0|1,0,1]=4 6718 B13R1.470 O=C(CCO)Cc1ccccc1F 1458a_100000212012_100000211926 [0,2,0,0,0,0|1,0,1]=4 6719 B13R1.470 O=C(CCO)Cc1ccccc1F 1458a_100011216618_100000187165 [0,2,0,0,0,0|1,0,1]=4 6720 B13R1.470 O=C(CCO)Cc1ccccc1I 1458a_100000036491_100000211926 [0,2,0,0,0,0|1,0,1]=4 6721 B13R1.470 O=C(CCO)Cc1ccccc1I 1458a_100011216618_100011216222 [0,2,0,0,0,0|1,0,1]=4 6722 B13R1.470 O=C(CCO)Cc1ccccc1O 1458a_100000743006_100000211926 [0,2,0,0,0,0|1,0,1]=4 6723 B13R1.470 [13CH3]N(CCO)Cc1ccccc1Br 2230a_106744479749_200025704644 [0,2,0,0,0,0|2,0,0]=4 6724 B13R1.470 [13CH3]N(CCO)Cc1ccccc1Br 269982a_106744479749_200025704644 [0,2,0,0,0,0|2,0,0]=4 6725 B13R1.470 [13CH3]N(CCO)Cc1ccccc1Cl 2230a_100015187164_200025704644 [0,2,0,0,0,0|2,0,0]=4 6726 B13R1.470 [13CH3]N(CCO)Cc1ccccc1Cl 269982a_100015187164_200025704644 [0,2,0,0,0,0|2,0,0]=4 6727 B13R1.470 [13CH3]N(CCO)Cc1ccccc1Cl 34a_100015187164_200025704644 [0,2,0,0,0,0|2,0,0]=4 6728 B13R1.470 [13CH3]OCC(N)Cc1ccccc1Cl 34a_100012001541_200025704644 [0,2,0,0,0,0|0,0,0]=2 6729 B13R1.1327 CC(C)(Cc1ccccc1)OCF 7a_100011215222_100015361967 [0,2,0,0,0,0|2,0,0]=4 6730 B13R1.1327 CCOC(C)(C)Cc1ccccc1 7a_100011215222_100000210202 [0,2,0,0,0,0|2,0,0]=4 6731 B13R1.21 CC(C(=O)CO)c1ccc(cc1)Br 1458a_100000210174_100000755118 [0,2,0,0,0,0|1,0,1]=4 6732 B13R1.21 CC(C(=O)CO)c1ccc(cc1)Cl 1458a_100000210174_100000684792 [0,2,0,0,0,0|1,0,1]=4 6733 B13R1.21 CC(C(=O)CO)c1ccc(cc1)F 1458a_100000210174_100000743420 [0,2,0,0,0,0|1,0,1]=4 6734 B13R1.21 CC(CO)N(C)c1ccc(cc1)Br 2230a_100000219623_100012180447 [0,2,0,0,0,0|2,0,0]=4 6735 B13R1.21 CC(CO)N(C)c1ccc(cc1)Br 34a_100000219623_100012180447 [0,2,0,0,0,0|2,0,0]=4 6736 B13R1.21 CC(CO)N(C)c1ccc(cc1)Cl 2230a_100020629279_100012180447 [0,2,0,0,0,0|2,0,0]=4 6737 B13R1.21 CC(CO)N(C)c1ccc(cc1)Cl 34a_100020629279_100012180447 [0,2,0,0,0,0|2,0,0]=4 6738 B13R1.21 CC(CO)N(C)c1ccc(cc1)F 2230a_100000219829_100012180447 [0,2,0,0,0,0|2,0,0]=4 6739 B13R1.21 CC(CO)N(C)c1ccc(cc1)F 34a_100000219829_100012180447 [0,2,0,0,0,0|2,0,0]=4 6740 B13R1.21 CC(CO)N(C)c1ccc(cc1)I 2230a_100000743151_100012180447 [0,2,0,0,0,0|2,0,0]=4 6741 B13R1.21 CC(CO)N(C)c1ccc(cc1)I 34a_100000743151_100012180447 [0,2,0,0,0,0|2,0,0]=4 6742 B13R1.21 CC(CO)N(C)c1ccc(cc1)O 34a_100000182112_100012180447 [0,2,0,0,0,0|2,0,0]=4 6743 B13R1.21 C[C@H](CO)N(C)c1ccc(cc1)Br 269982a_100000219623_100016084084 [0,2,0,0,0,0|2,0,0]=4 6744 B13R1.21 C[C@H](CO)N(C)c1ccc(cc1)Cl 269982a_100020629279_100016084084 [0,2,0,0,0,0|2,0,0]=4 6745 B13R1.21 C[C@H](CO)N(C)c1ccc(cc1)F 269982a_100000219829_100016084084 [0,2,0,0,0,0|2,0,0]=4 6746 B13R1.21 C[C@H](CO)N(C)c1ccc(cc1)I 269982a_100000743151_100016084084 [0,2,0,0,0,0|2,0,0]=4 6747 B13R1.21 C[C@H](CO)N(C)c1ccc(cc1)O 269982a_100000182112_100016084084 [0,2,0,0,0,0|2,0,0]=4 6748 B13R1.21 Cc1ccc(cc1)C(C)C(=O)CO 1458a_100000210174_100011261388 [0,2,0,0,0,0|1,0,1]=4 6749 B13R1.21 Cc1ccc(cc1)N(C)C(C)CO 2230a_100000219977_100012180447 [0,2,0,0,0,0|2,0,0]=4 6750 B13R1.21 Cc1ccc(cc1)N(C)C(C)CO 34a_100000219977_100012180447 [0,2,0,0,0,0|2,0,0]=4 6751 B13R1.21 Cc1ccc(cc1)N(C)[C@H](C)CO 269982a_100000219977_100016084084 [0,2,0,0,0,0|2,0,0]=4 6752 B13R1.22 CC(CO)N(C)c1cccc(c1)Br 2230a_100000219648_100012180447 [0,2,0,0,0,0|2,0,0]=4 6753 B13R1.22 CC(CO)N(C)c1cccc(c1)Br 34a_100000219648_100012180447 [0,2,0,0,0,0|2,0,0]=4 6754 B13R1.22 CC(CO)N(C)c1cccc(c1)Cl 2230a_100000220044_100012180447 [0,2,0,0,0,0|2,0,0]=4 6755 B13R1.22 CC(CO)N(C)c1cccc(c1)Cl 34a_100000220044_100012180447 [0,2,0,0,0,0|2,0,0]=4 6756 B13R1.22 CC(CO)N(C)c1cccc(c1)F 2230a_100020633736_100012180447 [0,2,0,0,0,0|2,0,0]=4 6757 B13R1.22 CC(CO)N(C)c1cccc(c1)F 34a_100020633736_100012180447 [0,2,0,0,0,0|2,0,0]=4 6758 B13R1.22 CC(CO)N(C)c1cccc(c1)I 2230a_100000221217_100012180447 [0,2,0,0,0,0|2,0,0]=4 6759 B13R1.22 CC(CO)N(C)c1cccc(c1)I 34a_100000221217_100012180447 [0,2,0,0,0,0|2,0,0]=4 6760 B13R1.22 CC(CO)N(C)c1cccc(c1)O 2230a_100000756613_100012180447 [0,2,0,0,0,0|2,0,0]=4 6761 B13R1.22 CC(CO)N(C)c1cccc(c1)O 34a_100000756613_100012180447 [0,2,0,0,0,0|2,0,0]=4 6762 B13R1.22 C[C@H](CO)N(C)c1cccc(c1)Br 269982a_100000219648_100016084084 [0,2,0,0,0,0|2,0,0]=4 6763 B13R1.22 C[C@H](CO)N(C)c1cccc(c1)Cl 269982a_100000220044_100016084084 [0,2,0,0,0,0|2,0,0]=4 6764 B13R1.22 C[C@H](CO)N(C)c1cccc(c1)F 269982a_100020633736_100016084084 [0,2,0,0,0,0|2,0,0]=4 6765 B13R1.22 C[C@H](CO)N(C)c1cccc(c1)I 269982a_100000221217_100016084084 [0,2,0,0,0,0|2,0,0]=4 6766 B13R1.22 C[C@H](CO)N(C)c1cccc(c1)O 269982a_100000756613_100016084084 [0,2,0,0,0,0|2,0,0]=4 6767 B13R1.22 Cc1cccc(c1)N(C)C(C)CO 2230a_100000219674_100012180447 [0,2,0,0,0,0|2,0,0]=4 6768 B13R1.22 Cc1cccc(c1)N(C)C(C)CO 34a_100000219674_100012180447 [0,2,0,0,0,0|2,0,0]=4 6769 B13R1.22 Cc1cccc(c1)N(C)[C@H](C)CO 269982a_100000219674_100016084084 [0,2,0,0,0,0|2,0,0]=4 6770 B13R1.86 CN[C@H](CO)[C@H](O)c1ccccc1 2230a_100000004308_200000210301 [0,2,0,0,0,0|0,0,0]=2 6771 B13R1.86 [13CH3]N[C@H](CO)[C@H](O)c1ccccc1 2230a_100000004308_200025704644 [0,2,0,0,0,0|0,0,0]=2 6772 B13R1.152 CC(C(=O)C(O)O)c1ccccc1 1458a_100000233687_100000230085 [0,2,0,0,0,0|1,0,1]=4 6773 B13R1.152 CC(C(=O)[C@@H](C)O)c1ccccc1 1458a_100000717761_100000230085 [0,2,0,0,0,0|1,0,1]=4 6774 B13R1.152 CC(C(=O)[C@H](C)O)c1ccccc1 1458a_217856618621_100000230085 [0,2,0,0,0,0|1,0,1]=4 6775 B13R1.532 CCC(C)C(NC)c1ccccc1 2230a_100025702663_200000210301 [0,2,0,0,0,0|2,0,0]=4 6776 B13R1.532 CCC(C)C(N[13CH3])c1ccccc1 2230a_100025702663_200025704644 [0,2,0,0,0,0|2,0,0]=4 6777 B13R1.532 CCN(c1ccccc1)C(C)CO 2230a_100000210013_100012180447 [0,2,0,0,0,0|2,0,0]=4 6778 B13R1.532 CCN(c1ccccc1)C(C)CO 34a_100000210013_100012180447 [0,2,0,0,0,0|2,0,0]=4 6779 B13R1.532 CCN(c1ccccc1)[C@H](C)CO 269982a_100000210013_100016084084 [0,2,0,0,0,0|2,0,0]=4 6780 B13R1.696 CC(C(=O)CO)c1ccccc1Cl 1458a_100000210174_100000181259 [0,2,0,0,0,0|1,0,1]=4 6781 B13R1.696 CC(C(=O)CO)c1ccccc1F 1458a_100000210174_200000741388 [0,2,0,0,0,0|1,0,1]=4 6782 B13R1.696 CC(CO)N(C)c1ccccc1Br 2230a_100020606079_100012180447 [0,2,0,0,0,0|2,0,0]=4 6783 B13R1.696 CC(CO)N(C)c1ccccc1Br 34a_100020606079_100012180447 [0,2,0,0,0,0|2,0,0]=4 6784 B13R1.696 CC(CO)N(C)c1ccccc1Cl 2230a_100000219374_100012180447 [0,2,0,0,0,0|2,0,0]=4 6785 B13R1.696 CC(CO)N(C)c1ccccc1Cl 34a_100000219374_100012180447 [0,2,0,0,0,0|2,0,0]=4 6786 B13R1.696 CC(CO)N(C)c1ccccc1F 2230a_100000220357_100012180447 [0,2,0,0,0,0|2,0,0]=4 6787 B13R1.696 CC(CO)N(C)c1ccccc1F 34a_100000220357_100012180447 [0,2,0,0,0,0|2,0,0]=4 6788 B13R1.696 C[C@H](CO)N(C)c1ccccc1Br 269982a_100020606079_100016084084 [0,2,0,0,0,0|2,0,0]=4 6789 B13R1.696 C[C@H](CO)N(C)c1ccccc1Cl 269982a_100000219374_100016084084 [0,2,0,0,0,0|2,0,0]=4 6790 B13R1.696 C[C@H](CO)N(C)c1ccccc1F 269982a_100000220357_100016084084 [0,2,0,0,0,0|2,0,0]=4 6791 B13R1.696 C[C@H](CO)N(C)c1ccccc1O 269982a_100000033821_100016084084 [0,2,0,0,0,0|2,0,0]=4 6792 B13R1.696 Cc1ccccc1N(C)C(C)CO 2230a_100000219699_100012180447 [0,2,0,0,0,0|2,0,0]=4 6793 B13R1.696 Cc1ccccc1N(C)C(C)CO 34a_100000219699_100012180447 [0,2,0,0,0,0|2,0,0]=4 6794 B13R1.696 Cc1ccccc1N(C)[C@H](C)CO 269982a_100000219699_100016084084 [0,2,0,0,0,0|2,0,0]=4 6795 B13R1.708 CC(C)(C(=O)CO)c1ccccc1 1458a_100000210174_100000034625 [0,2,0,0,0,0|1,0,1]=4 6796 B13R1.708 O=C(CO)C(F)(F)c1ccccc1 1458a_100000210174_100000036403 [0,2,0,0,0,0|1,0,1]=4 6797 B13R1.133 C[C@@H](O)C(=O)Cc1ccc(cc1)Br 1458a_100000717761_100000189115 [0,2,0,0,0,0|1,0,1]=4 6798 B13R1.133 C[C@@H](O)C(=O)Cc1ccc(cc1)Cl 1458a_100000717761_100000694040 [0,2,0,0,0,0|1,0,1]=4 6799 B13R1.133 C[C@@H](O)C(=O)Cc1ccc(cc1)F 1458a_100000717761_100000198546 [0,2,0,0,0,0|1,0,1]=4 6800 B13R1.133 C[C@@H](O)C(=O)Cc1ccc(cc1)I 1458a_100000717761_100000189116 [0,2,0,0,0,0|1,0,1]=4 6801 B13R1.133 C[C@H](O)C(=O)Cc1ccc(cc1)Br 1458a_217856618621_100000189115 [0,2,0,0,0,0|1,0,1]=4 6802 B13R1.133 C[C@H](O)C(=O)Cc1ccc(cc1)Cl 1458a_217856618621_100000694040 [0,2,0,0,0,0|1,0,1]=4 6803 B13R1.133 C[C@H](O)C(=O)Cc1ccc(cc1)F 1458a_217856618621_100000198546 [0,2,0,0,0,0|1,0,1]=4 6804 B13R1.133 C[C@H](O)C(=O)Cc1ccc(cc1)I 1458a_217856618621_100000189116 [0,2,0,0,0,0|1,0,1]=4 6805 B13R1.133 Cc1ccc(cc1)CC(=O)C(O)O 1458a_100000233687_100000210814 [0,2,0,0,0,0|1,0,1]=4 6806 B13R1.133 Cc1ccc(cc1)CC(=O)[C@@H](C)O 1458a_100000717761_100000210814 [0,2,0,0,0,0|1,0,1]=4 6807 B13R1.133 Cc1ccc(cc1)CC(=O)[C@H](C)O 1458a_217856618621_100000210814 [0,2,0,0,0,0|1,0,1]=4 6808 B13R1.133 O=C(Cc1ccc(cc1)Br)C(O)O 1458a_100000233687_100000189115 [0,2,0,0,0,0|1,0,1]=4 6809 B13R1.133 O=C(Cc1ccc(cc1)Cl)C(O)O 1458a_100000233687_100000694040 [0,2,0,0,0,0|1,0,1]=4 6810 B13R1.133 O=C(Cc1ccc(cc1)F)C(O)O 1458a_100000233687_100000198546 [0,2,0,0,0,0|1,0,1]=4 6811 B13R1.133 O=C(Cc1ccc(cc1)I)C(O)O 1458a_100000233687_100000189116 [0,2,0,0,0,0|1,0,1]=4 6812 B13R1.148 C[C@@H](O)C(=O)Cc1cccc(c1)Br 1458a_100000717761_100000211773 [0,2,0,0,0,0|1,0,1]=4 6813 B13R1.148 C[C@@H](O)C(=O)Cc1cccc(c1)Cl 1458a_100000717761_100000181238 [0,2,0,0,0,0|1,0,1]=4 6814 B13R1.148 C[C@@H](O)C(=O)Cc1cccc(c1)F 1458a_100000717761_100000230114 [0,2,0,0,0,0|1,0,1]=4 6815 B13R1.148 C[C@@H](O)C(=O)Cc1cccc(c1)I 1458a_100000717761_100011218688 [0,2,0,0,0,0|1,0,1]=4 6816 B13R1.148 C[C@@H](O)C(=O)Cc1cccc(c1)O 1458a_100000717761_100011660834 [0,2,0,0,0,0|1,0,1]=4 6817 B13R1.148 C[C@H](O)C(=O)Cc1cccc(c1)Br 1458a_217856618621_100000211773 [0,2,0,0,0,0|1,0,1]=4 6818 B13R1.148 C[C@H](O)C(=O)Cc1cccc(c1)Cl 1458a_217856618621_100000181238 [0,2,0,0,0,0|1,0,1]=4 6819 B13R1.148 C[C@H](O)C(=O)Cc1cccc(c1)F 1458a_217856618621_100000230114 [0,2,0,0,0,0|1,0,1]=4 6820 B13R1.148 C[C@H](O)C(=O)Cc1cccc(c1)I 1458a_217856618621_100011218688 [0,2,0,0,0,0|1,0,1]=4 6821 B13R1.148 C[C@H](O)C(=O)Cc1cccc(c1)O 1458a_217856618621_100011660834 [0,2,0,0,0,0|1,0,1]=4 6822 B13R1.148 Cc1cccc(c1)CC(=O)C(O)O 1458a_100000233687_100000211840 [0,2,0,0,0,0|1,0,1]=4 6823 B13R1.148 Cc1cccc(c1)CC(=O)[C@@H](C)O 1458a_100000717761_100000211840 [0,2,0,0,0,0|1,0,1]=4 6824 B13R1.148 Cc1cccc(c1)CC(=O)[C@H](C)O 1458a_217856618621_100000211840 [0,2,0,0,0,0|1,0,1]=4 6825 B13R1.148 O=C(Cc1cccc(c1)Br)C(O)O 1458a_100000233687_100000211773 [0,2,0,0,0,0|1,0,1]=4 6826 B13R1.148 O=C(Cc1cccc(c1)Cl)C(O)O 1458a_100000233687_100000181238 [0,2,0,0,0,0|1,0,1]=4 6827 B13R1.148 O=C(Cc1cccc(c1)F)C(O)O 1458a_100000233687_100000230114 [0,2,0,0,0,0|1,0,1]=4 6828 B13R1.148 O=C(Cc1cccc(c1)I)C(O)O 1458a_100000233687_100011218688 [0,2,0,0,0,0|1,0,1]=4 6829 B13R1.148 O=C(Cc1cccc(c1)O)C(O)O 1458a_100000233687_100011660834 [0,2,0,0,0,0|1,0,1]=4 6830 B13R1.202 C[C@@H](O)C(=O)Cc1ccccc1Br 1458a_100000717761_100000184730 [0,2,0,0,0,0|1,0,1]=4 6831 B13R1.202 C[C@@H](O)C(=O)Cc1ccccc1Cl 1458a_100000717761_100000187162 [0,2,0,0,0,0|1,0,1]=4 6832 B13R1.202 C[C@@H](O)C(=O)Cc1ccccc1F 1458a_100000717761_100000187165 [0,2,0,0,0,0|1,0,1]=4 6833 B13R1.202 C[C@@H](O)C(=O)Cc1ccccc1I 1458a_100000717761_100011216222 [0,2,0,0,0,0|1,0,1]=4 6834 B13R1.202 C[C@H](O)C(=O)Cc1ccccc1Br 1458a_217856618621_100000184730 [0,2,0,0,0,0|1,0,1]=4 6835 B13R1.202 C[C@H](O)C(=O)Cc1ccccc1Cl 1458a_217856618621_100000187162 [0,2,0,0,0,0|1,0,1]=4 6836 B13R1.202 C[C@H](O)C(=O)Cc1ccccc1F 1458a_217856618621_100000187165 [0,2,0,0,0,0|1,0,1]=4 6837 B13R1.202 C[C@H](O)C(=O)Cc1ccccc1I 1458a_217856618621_100011216222 [0,2,0,0,0,0|1,0,1]=4 6838 B13R1.202 Cc1ccccc1CC(=O)C(O)O 1458a_100000233687_100000211839 [0,2,0,0,0,0|1,0,1]=4 6839 B13R1.202 Cc1ccccc1CC(=O)[C@@H](C)O 1458a_100000717761_100000211839 [0,2,0,0,0,0|1,0,1]=4 6840 B13R1.202 Cc1ccccc1CC(=O)[C@H](C)O 1458a_217856618621_100000211839 [0,2,0,0,0,0|1,0,1]=4 6841 B13R1.202 O=C(Cc1ccccc1Br)C(O)O 1458a_100000233687_100000184730 [0,2,0,0,0,0|1,0,1]=4 6842 B13R1.202 O=C(Cc1ccccc1Cl)C(O)O 1458a_100000233687_100000187162 [0,2,0,0,0,0|1,0,1]=4 6843 B13R1.202 O=C(Cc1ccccc1F)C(O)O 1458a_100000233687_100000187165 [0,2,0,0,0,0|1,0,1]=4 6844 B13R1.202 O=C(Cc1ccccc1I)C(O)O 1458a_100000233687_100011216222 [0,2,0,0,0,0|1,0,1]=4 6845 B13R1.353 CC(C)(O)C(=O)Cc1ccccc1 1458a_100000242741_100015291786 [0,2,0,0,0,0|1,0,1]=4 6846 B13R1.418 CCC(Cc1ccccc1)N(C)C 270004a_100102631434_100000212045 [0,2,0,0,0,0|1,0,0]=3 6847 B13R1.418 CCC(Nc1ccccc1)C(=O)N 34a_100000106764_100000750255 [0,2,0,0,0,0|2,0,0]=4 6848 B13R1.418 CCC(Oc1ccccc1)C(=O)N 34a_100000210340_100000750255 [0,2,0,0,0,0|2,0,0]=4 6849 B13R1.418 CCC(Oc1ccccc1)C(=O)N 7a_100000210340_100000750255 [0,2,0,0,0,0|2,0,0]=4 6850 B13R1.418 CCC(Sc1ccccc1)C(=O)N 62a_100000719477_100000750255 [0,2,0,0,0,0|2,0,0]=4 6851 B13R1.418 CCC(Sc1ccccc1)C(=O)N 62a_100000750255_100000041952 [0,2,0,0,0,0|2,0,0]=4 6852 B13R1.418 CN(C)[C@H](CO)Cc1ccccc1 2230a_100016995599_200000210301 [0,2,0,0,0,0|0,0,0]=2 6853 B13R1.418 CN(C)[C@H](CO)Cc1ccccc1 269982a_100016995599_200000210301 [0,2,0,0,0,0|0,0,0]=2 6854 B13R1.418 CN([13CH3])[C@H](CO)Cc1ccccc1 2230a_100016995599_200025704644 [0,2,0,0,0,0|0,0,0]=2 6855 B13R1.418 CN([13CH3])[C@H](CO)Cc1ccccc1 269982a_100016995599_200025704644 [0,2,0,0,0,0|0,0,0]=2 6856 B13R1.418 CNC(Cc1ccccc1)C(=O)N 2230a_100000745710_200000210301 [0,2,0,0,0,0|0,0,2]=4 6857 B13R1.418 CNC(Cc1ccccc1)C(=O)N 34a_100000745710_200000210301 [0,2,0,0,0,0|0,0,2]=4 6858 B13R1.418 CNC(Cc1ccccc1)C(C)C 270004a_106832991635_200000703227 [0,2,0,0,0,0|1,0,0]=3 6859 B13R1.418 [13CH3]NC(Cc1ccccc1)C(=O)N 2230a_100000745710_200025704644 [0,2,0,0,0,0|0,0,2]=4 6860 B13R1.418 [13CH3]NC(Cc1ccccc1)C(=O)N 34a_100000745710_200025704644 [0,2,0,0,0,0|0,0,2]=4 6861 B13R1.5 C#Cc1ccc(cc1)CC(=O)CO 1458a_100000210174_100000140223 [0,2,0,0,0,0|1,0,1]=4 6862 B13R1.5 C#Cc1ccc(cc1)NC(C)CO 34a_100011215031_100012180447 [0,2,0,0,0,0|2,0,0]=4 6863 B13R1.5 C=Cc1ccc(cc1)CC(=O)CO 1458a_100000210174_100000034074 [0,2,0,0,0,0|1,0,1]=4 6864 B13R1.5 C=Cc1ccc(cc1)NC(C)CO 34a_100011218248_100012180447 [0,2,0,0,0,0|2,0,0]=4 6865 B13R1.5 C=Cc1ccc(cc1)OC(C)CO 34a_100000189437_100012180447 [0,2,0,0,0,0|2,0,0]=4 6866 B13R1.5 C=Cc1ccc(cc1)OC(C)CO 7a_100000189437_100012180447 [0,2,0,0,0,0|2,0,0]=4 6867 B13R1.5 C=Cc1ccc(cc1)SC(C)CO 62a_100012180447_100000748128 [0,2,0,0,0,0|2,0,0]=4 6868 B13R1.5 C=Cc1ccc(cc1)S[C@H](C)CO 62a_100000748128_100016084084 [0,2,0,0,0,0|2,0,0]=4 6869 B13R1.5 C=Cc1ccc(cc1)S[C@H](C)CO 62a_100016084084_100000748128 [0,2,0,0,0,0|2,0,0]=4 6870 B13R1.5 CC(CO)Nc1ccc(cc1)C#N 34a_100000185469_100012180447 [0,2,0,0,0,0|2,0,0]=4 6871 B13R1.5 CC(CO)Nc1ccc(cc1)CO 2230a_100011215238_100012180447 [0,2,0,0,0,0|2,0,0]=4 6872 B13R1.5 CC(CO)Nc1ccc(cc1)CO 34a_100011215238_100012180447 [0,2,0,0,0,0|2,0,0]=4 6873 B13R1.5 CC(CO)Oc1ccc(cc1)C#N 34a_100000210344_100012180447 [0,2,0,0,0,0|2,0,0]=4 6874 B13R1.5 CC(CO)Oc1ccc(cc1)C#N 7a_100000210344_100012180447 [0,2,0,0,0,0|2,0,0]=4 6875 B13R1.5 CC(CO)Oc1ccc(cc1)CN 34a_100000185549_100012180447 [0,2,0,0,0,0|2,0,0]=4 6876 B13R1.5 CC(CO)Oc1ccc(cc1)CO 34a_100000211755_100012180447 [0,2,0,0,0,0|2,0,0]=4 6877 B13R1.5 CC(CO)Sc1ccc(cc1)C#N 62a_100012180447_100000184291 [0,2,0,0,0,0|2,0,0]=4 6878 B13R1.5 CC(CO)Sc1ccc(cc1)C=O 62a_100012180447_100000188517 [0,2,0,0,0,0|2,0,0]=4 6879 B13R1.5 CC(CO)Sc1ccc(cc1)CF 62a_100012180447_100010268989 [0,2,0,0,0,0|2,0,0]=4 6880 B13R1.5 CC(CO)Sc1ccc(cc1)CN 62a_100012180447_100016989417 [0,2,0,0,0,0|2,0,0]=4 6881 B13R1.5 CC(CO)Sc1ccc(cc1)CO 62a_100012180447_100000690907 [0,2,0,0,0,0|2,0,0]=4 6882 B13R1.5 CC(CO)Sc1ccc(cc1)NN 62a_100012180447_100016988836 [0,2,0,0,0,0|2,0,0]=4 6883 B13R1.5 CCc1ccc(cc1)CC(=O)CO 1458a_100000210174_100000747183 [0,2,0,0,0,0|1,0,1]=4 6884 B13R1.5 CCc1ccc(cc1)NC(C)CO 2230a_100000211069_100012180447 [0,2,0,0,0,0|2,0,0]=4 6885 B13R1.5 CCc1ccc(cc1)NC(C)CO 34a_100000211069_100012180447 [0,2,0,0,0,0|2,0,0]=4 6886 B13R1.5 CCc1ccc(cc1)OC(C)CO 34a_100000211359_100012180447 [0,2,0,0,0,0|2,0,0]=4 6887 B13R1.5 CCc1ccc(cc1)OC(C)CO 7a_100000211359_100012180447 [0,2,0,0,0,0|2,0,0]=4 6888 B13R1.5 CCc1ccc(cc1)SC(C)CO 62a_100012180447_100011215824 [0,2,0,0,0,0|2,0,0]=4 6889 B13R1.5 CCc1ccc(cc1)S[C@H](C)CO 62a_100011215824_100016084084 [0,2,0,0,0,0|2,0,0]=4 6890 B13R1.5 CCc1ccc(cc1)S[C@H](C)CO 62a_100016084084_100011215824 [0,2,0,0,0,0|2,0,0]=4 6891 B13R1.5 CNc1ccc(cc1)OC(C)CO 34a_100000182112_100012180447 [0,2,0,0,0,0|2,0,0]=4 6892 B13R1.5 CNc1ccc(cc1)SC(C)CO 62a_100012180447_100000743151 [0,2,0,0,0,0|2,0,0]=4 6893 B13R1.5 CNc1ccc(cc1)S[C@H](C)CO 62a_100000743151_100016084084 [0,2,0,0,0,0|2,0,0]=4 6894 B13R1.5 CNc1ccc(cc1)S[C@H](C)CO 62a_100016084084_100000743151 [0,2,0,0,0,0|2,0,0]=4 6895 B13R1.5 COc1ccc(cc1)C[C@@H](N)CO 34a_100020629837_200000210301 [0,2,0,0,0,0|0,0,0]=2 6896 B13R1.5 COc1ccc(cc1)NC(C)CO 34a_100000184247_100012180447 [0,2,0,0,0,0|2,0,0]=4 6897 B13R1.5 COc1ccc(cc1)OC(C)CO 34a_100000210503_100012180447 [0,2,0,0,0,0|2,0,0]=4 6898 B13R1.5 COc1ccc(cc1)SC(C)CO 62a_100012180447_100000171711 [0,2,0,0,0,0|2,0,0]=4 6899 B13R1.5 COc1ccc(cc1)S[C@H](C)CO 62a_100016084084_100000171711 [0,2,0,0,0,0|2,0,0]=4 6900 B13R1.5 CSc1ccc(cc1)CC(=O)CO 1458a_100000210174_100000181263 [0,2,0,0,0,0|1,0,1]=4 6901 B13R1.5 CSc1ccc(cc1)NC(C)CO 34a_100000212337_100012180447 [0,2,0,0,0,0|2,0,0]=4 6902 B13R1.5 CSc1ccc(cc1)OC(C)CO 34a_100000211864_100012180447 [0,2,0,0,0,0|2,0,0]=4 6903 B13R1.5 CSc1ccc(cc1)SC(C)CO 62a_100012180447_100011263217 [0,2,0,0,0,0|2,0,0]=4 6904 B13R1.5 CSc1ccc(cc1)S[C@H](C)CO 62a_100011263217_100016084084 [0,2,0,0,0,0|2,0,0]=4 6905 B13R1.5 CSc1ccc(cc1)S[C@H](C)CO 62a_100016084084_100011263217 [0,2,0,0,0,0|2,0,0]=4 6906 B13R1.5 C[C@H](CO)Sc1ccc(cc1)C#N 62a_100016084084_100000184291 [0,2,0,0,0,0|2,0,0]=4 6907 B13R1.5 C[C@H](CO)Sc1ccc(cc1)C=O 62a_100000188517_100016084084 [0,2,0,0,0,0|2,0,0]=4 6908 B13R1.5 C[C@H](CO)Sc1ccc(cc1)C=O 62a_100016084084_100000188517 [0,2,0,0,0,0|2,0,0]=4 6909 B13R1.5 C[C@H](CO)Sc1ccc(cc1)CF 62a_100010268989_100016084084 [0,2,0,0,0,0|2,0,0]=4 6910 B13R1.5 C[C@H](CO)Sc1ccc(cc1)CF 62a_100016084084_100010268989 [0,2,0,0,0,0|2,0,0]=4 6911 B13R1.5 C[C@H](CO)Sc1ccc(cc1)CN 62a_100016084084_100016989417 [0,2,0,0,0,0|2,0,0]=4 6912 B13R1.5 C[C@H](CO)Sc1ccc(cc1)CN 62a_100016989417_100016084084 [0,2,0,0,0,0|2,0,0]=4 6913 B13R1.5 C[C@H](CO)Sc1ccc(cc1)CO 62a_100000690907_100016084084 [0,2,0,0,0,0|2,0,0]=4 6914 B13R1.5 C[C@H](CO)Sc1ccc(cc1)CO 62a_100016084084_100000690907 [0,2,0,0,0,0|2,0,0]=4 6915 B13R1.5 C[C@H](CO)Sc1ccc(cc1)NN 62a_100016084084_100016988836 [0,2,0,0,0,0|2,0,0]=4 6916 B13R1.5 C[C@H](CO)Sc1ccc(cc1)NN 62a_100016988836_100016084084 [0,2,0,0,0,0|2,0,0]=4 6917 B13R1.5 N#Cc1ccc(cc1)CC(=O)CO 1458a_100000210174_100000184898 [0,2,0,0,0,0|1,0,1]=4 6918 B13R1.5 O=C(CO)Cc1ccc(cc1)CO 1458a_100000210174_100000067286 [0,2,0,0,0,0|1,0,1]=4 6919 B13R1.5 O=Cc1ccc(cc1)CC(=O)CO 1458a_100000210174_100000075337 [0,2,0,0,0,0|1,0,1]=4 6920 B13R1.5 [13CH3]Oc1ccc(cc1)C[C@@H](N)CO 34a_100020629837_200025704644 [0,2,0,0,0,0|0,0,0]=2 6921 B13R1.145 CNC(C#N)Cc1ccc(cc1)C 34a_100102657272_100000697087 [0,2,0,0,0,0|1,0,1]=4 6922 B13R1.145 CNC(C#N)Cc1ccc(cc1)C 7a_106832991635_100000697087 [0,2,0,0,0,0|1,0,1]=4 6923 B13R1.145 CNC(CO)Cc1ccc(cc1)Cl 2230a_100025702442_200000210301 [0,2,0,0,0,0|0,0,0]=2 6924 B13R1.145 CNC(CO)Cc1ccc(cc1)Cl 34a_100025702442_200000210301 [0,2,0,0,0,0|0,0,0]=2 6925 B13R1.145 CN[C@@H](CO)Cc1ccc(cc1)O 2230a_100020629837_200000210301 [0,2,0,0,0,0|0,0,0]=2 6926 B13R1.145 CN[C@@H](CO)Cc1ccc(cc1)O 34a_100020629837_200000210301 [0,2,0,0,0,0|0,0,0]=2 6927 B13R1.145 [13CH3]NC(CO)Cc1ccc(cc1)Cl 2230a_100025702442_200025704644 [0,2,0,0,0,0|0,0,0]=2 6928 B13R1.145 [13CH3]NC(CO)Cc1ccc(cc1)Cl 34a_100025702442_200025704644 [0,2,0,0,0,0|0,0,0]=2 6929 B13R1.145 [13CH3]N[C@@H](CO)Cc1ccc(cc1)O 2230a_100020629837_200025704644 [0,2,0,0,0,0|0,0,0]=2 6930 B13R1.145 [13CH3]N[C@@H](CO)Cc1ccc(cc1)O 34a_100020629837_200025704644 [0,2,0,0,0,0|0,0,0]=2 6931 B13R1.249 Cc1ccc(cc1)SC(F)(F)CO 62a_100000186775_100011217949 [0,2,0,0,0,0|2,0,0]=4 6932 B13R1.249 Cc1ccc(cc1)SC(F)(F)CO 62a_100011217949_100000186775 [0,2,0,0,0,0|2,0,0]=4 6933 B13R1.249 Nc1ccc(cc1)SC(F)(F)CO 62a_100000185761_100011217949 [0,2,0,0,0,0|2,0,0]=4 6934 B13R1.249 Nc1ccc(cc1)SC(F)(F)CO 62a_100011217949_100000185761 [0,2,0,0,0,0|2,0,0]=4 6935 B13R1.249 OCC(F)(F)Sc1ccc(cc1)Br 62a_100000752885_100011217949 [0,2,0,0,0,0|2,0,0]=4 6936 B13R1.249 OCC(F)(F)Sc1ccc(cc1)Br 62a_100011217949_100000752885 [0,2,0,0,0,0|2,0,0]=4 6937 B13R1.249 OCC(F)(F)Sc1ccc(cc1)Cl 62a_100000755918_100011217949 [0,2,0,0,0,0|2,0,0]=4 6938 B13R1.249 OCC(F)(F)Sc1ccc(cc1)Cl 62a_100011217949_100000755918 [0,2,0,0,0,0|2,0,0]=4 6939 B13R1.249 OCC(F)(F)Sc1ccc(cc1)F 62a_100000211213_100011217949 [0,2,0,0,0,0|2,0,0]=4 6940 B13R1.249 OCC(F)(F)Sc1ccc(cc1)F 62a_100011217949_100000211213 [0,2,0,0,0,0|2,0,0]=4 6941 B13R1.249 OCC(F)(F)Sc1ccc(cc1)O 62a_100011217949_100000185759 [0,2,0,0,0,0|2,0,0]=4 6942 B13R1.2679 CC(CO)Nc1ccc(cc1Br)Br 34a_100000211012_100012180447 [0,2,0,0,0,0|2,0,0]=4 6943 B13R1.2679 CC(CO)Nc1ccc(cc1Br)Cl 34a_100000752454_100012180447 [0,2,0,0,0,0|2,0,0]=4 6944 B13R1.2679 CC(CO)Nc1ccc(cc1Br)F 34a_100000738039_100012180447 [0,2,0,0,0,0|2,0,0]=4 6945 B13R1.2679 CC(CO)Nc1ccc(cc1Br)O 34a_100012001276_100012180447 [0,2,0,0,0,0|2,0,0]=4 6946 B13R1.2679 CC(CO)Nc1ccc(cc1Cl)Br 34a_100000211467_100012180447 [0,2,0,0,0,0|2,0,0]=4 6947 B13R1.2679 CC(CO)Nc1ccc(cc1Cl)Cl 34a_100000185861_100012180447 [0,2,0,0,0,0|2,0,0]=4 6948 B13R1.2679 CC(CO)Nc1ccc(cc1Cl)F 34a_100000212003_100012180447 [0,2,0,0,0,0|2,0,0]=4 6949 B13R1.2679 CC(CO)Nc1ccc(cc1Cl)I 34a_100011218065_100012180447 [0,2,0,0,0,0|2,0,0]=4 6950 B13R1.2679 CC(CO)Nc1ccc(cc1Cl)O 34a_100011215599_100012180447 [0,2,0,0,0,0|2,0,0]=4 6951 B13R1.2679 CC(CO)Nc1ccc(cc1F)Br 34a_100000210722_100012180447 [0,2,0,0,0,0|2,0,0]=4 6952 B13R1.2679 CC(CO)Nc1ccc(cc1F)Cl 34a_100000211020_100012180447 [0,2,0,0,0,0|2,0,0]=4 6953 B13R1.2679 CC(CO)Nc1ccc(cc1F)F 34a_100000210720_100012180447 [0,2,0,0,0,0|2,0,0]=4 6954 B13R1.2679 CC(CO)Nc1ccc(cc1F)I 34a_100011215594_100012180447 [0,2,0,0,0,0|2,0,0]=4 6955 B13R1.2679 CC(CO)Nc1ccc(cc1F)O 34a_100000759473_100012180447 [0,2,0,0,0,0|2,0,0]=4 6956 B13R1.2679 CC(CO)Nc1ccc(cc1I)Br 34a_100000187925_100012180447 [0,2,0,0,0,0|2,0,0]=4 6957 B13R1.2679 CC(CO)Nc1ccc(cc1I)Cl 34a_100000761889_100012180447 [0,2,0,0,0,0|2,0,0]=4 6958 B13R1.2679 CC(CO)Nc1ccc(cc1I)F 34a_100000760547_100012180447 [0,2,0,0,0,0|2,0,0]=4 6959 B13R1.2679 CC(CO)Nc1ccc(cc1I)O 34a_100010084370_100012180447 [0,2,0,0,0,0|2,0,0]=4 6960 B13R1.2679 CC(CO)Nc1ccc(cc1O)Br 34a_100000739049_100012180447 [0,2,0,0,0,0|2,0,0]=4 6961 B13R1.2679 CC(CO)Nc1ccc(cc1O)Cl 34a_100000185728_100012180447 [0,2,0,0,0,0|2,0,0]=4 6962 B13R1.2679 CC(CO)Nc1ccc(cc1O)F 34a_100000753323_100012180447 [0,2,0,0,0,0|2,0,0]=4 6963 B13R1.2679 CC(CO)Nc1ccc(cc1O)O 34a_100000106777_100012180447 [0,2,0,0,0,0|2,0,0]=4 6964 B13R1.2679 CC(CO)Oc1ccc(cc1Br)Br 34a_100000188717_100012180447 [0,2,0,0,0,0|2,0,0]=4 6965 B13R1.2679 CC(CO)Oc1ccc(cc1Br)Br 7a_100000188717_100012180447 [0,2,0,0,0,0|2,0,0]=4 6966 B13R1.2679 CC(CO)Oc1ccc(cc1Br)Cl 34a_100000211998_100012180447 [0,2,0,0,0,0|2,0,0]=4 6967 B13R1.2679 CC(CO)Oc1ccc(cc1Br)Cl 7a_100000211998_100012180447 [0,2,0,0,0,0|2,0,0]=4 6968 B13R1.2679 CC(CO)Oc1ccc(cc1Br)F 34a_100000211999_100012180447 [0,2,0,0,0,0|2,0,0]=4 6969 B13R1.2679 CC(CO)Oc1ccc(cc1Br)F 7a_100000211999_100012180447 [0,2,0,0,0,0|2,0,0]=4 6970 B13R1.2679 CC(CO)Oc1ccc(cc1Br)I 34a_100012361655_100012180447 [0,2,0,0,0,0|2,0,0]=4 6971 B13R1.2679 CC(CO)Oc1ccc(cc1Br)I 7a_100012361655_100012180447 [0,2,0,0,0,0|2,0,0]=4 6972 B13R1.2679 CC(CO)Oc1ccc(cc1Br)N 34a_100011534360_100012180447 [0,2,0,0,0,0|2,0,0]=4 6973 B13R1.2679 CC(CO)Oc1ccc(cc1Br)N 7a_100011534360_100012180447 [0,2,0,0,0,0|2,0,0]=4 6974 B13R1.2679 CC(CO)Oc1ccc(cc1Cl)Br 34a_100000186472_100012180447 [0,2,0,0,0,0|2,0,0]=4 6975 B13R1.2679 CC(CO)Oc1ccc(cc1Cl)Br 7a_100000186472_100012180447 [0,2,0,0,0,0|2,0,0]=4 6976 B13R1.2679 CC(CO)Oc1ccc(cc1Cl)Cl 34a_100015191787_100012180447 [0,2,0,0,0,0|2,0,0]=4 6977 B13R1.2679 CC(CO)Oc1ccc(cc1Cl)Cl 7a_100015191787_100012180447 [0,2,0,0,0,0|2,0,0]=4 6978 B13R1.2679 CC(CO)Oc1ccc(cc1Cl)F 34a_100000212004_100012180447 [0,2,0,0,0,0|2,0,0]=4 6979 B13R1.2679 CC(CO)Oc1ccc(cc1Cl)F 7a_100000212004_100012180447 [0,2,0,0,0,0|2,0,0]=4 6980 B13R1.2679 CC(CO)Oc1ccc(cc1Cl)I 34a_100012360047_100012180447 [0,2,0,0,0,0|2,0,0]=4 6981 B13R1.2679 CC(CO)Oc1ccc(cc1Cl)I 7a_100012360047_100012180447 [0,2,0,0,0,0|2,0,0]=4 6982 B13R1.2679 CC(CO)Oc1ccc(cc1Cl)N 34a_100000744943_100012180447 [0,2,0,0,0,0|2,0,0]=4 6983 B13R1.2679 CC(CO)Oc1ccc(cc1Cl)N 7a_100000744943_100012180447 [0,2,0,0,0,0|2,0,0]=4 6984 B13R1.2679 CC(CO)Oc1ccc(cc1F)Br 34a_100000185481_100012180447 [0,2,0,0,0,0|2,0,0]=4 6985 B13R1.2679 CC(CO)Oc1ccc(cc1F)Br 7a_100000185481_100012180447 [0,2,0,0,0,0|2,0,0]=4 6986 B13R1.2679 CC(CO)Oc1ccc(cc1F)Cl 34a_100000230166_100012180447 [0,2,0,0,0,0|2,0,0]=4 6987 B13R1.2679 CC(CO)Oc1ccc(cc1F)Cl 7a_100000230166_100012180447 [0,2,0,0,0,0|2,0,0]=4 6988 B13R1.2679 CC(CO)Oc1ccc(cc1F)F 34a_100000230127_100012180447 [0,2,0,0,0,0|2,0,0]=4 6989 B13R1.2679 CC(CO)Oc1ccc(cc1F)F 7a_100000230127_100012180447 [0,2,0,0,0,0|2,0,0]=4 6990 B13R1.2679 CC(CO)Oc1ccc(cc1F)I 34a_100011356965_100012180447 [0,2,0,0,0,0|2,0,0]=4 6991 B13R1.2679 CC(CO)Oc1ccc(cc1F)I 7a_100011356965_100012180447 [0,2,0,0,0,0|2,0,0]=4 6992 B13R1.2679 CC(CO)Oc1ccc(cc1F)N 34a_100011220035_100012180447 [0,2,0,0,0,0|2,0,0]=4 6993 B13R1.2679 CC(CO)Oc1ccc(cc1F)N 7a_100011220035_100012180447 [0,2,0,0,0,0|2,0,0]=4 6994 B13R1.2679 CC(CO)Oc1ccc(cc1I)Br 34a_100012355227_100012180447 [0,2,0,0,0,0|2,0,0]=4 6995 B13R1.2679 CC(CO)Oc1ccc(cc1I)Br 7a_100012355227_100012180447 [0,2,0,0,0,0|2,0,0]=4 6996 B13R1.2679 CC(CO)Oc1ccc(cc1I)Cl 34a_100011356953_100012180447 [0,2,0,0,0,0|2,0,0]=4 6997 B13R1.2679 CC(CO)Oc1ccc(cc1I)Cl 7a_100011356953_100012180447 [0,2,0,0,0,0|2,0,0]=4 6998 B13R1.2679 CC(CO)Oc1ccc(cc1I)F 34a_100012355409_100012180447 [0,2,0,0,0,0|2,0,0]=4 6999 B13R1.2679 CC(CO)Oc1ccc(cc1I)F 7a_100012355409_100012180447 [0,2,0,0,0,0|2,0,0]=4 7000 B13R1.2679 CC(CO)Oc1ccc(cc1I)I 7a_100010001573_100012180447 [0,2,0,0,0,0|2,0,0]=4 7001 B13R1.2679 CC(CO)Oc1ccc(cc1N)Br 34a_100000752626_100012180447 [0,2,0,0,0,0|2,0,0]=4 7002 B13R1.2679 CC(CO)Oc1ccc(cc1N)Br 7a_100000752626_100012180447 [0,2,0,0,0,0|2,0,0]=4 7003 B13R1.2679 CC(CO)Oc1ccc(cc1N)Cl 34a_100000210500_100012180447 [0,2,0,0,0,0|2,0,0]=4 7004 B13R1.2679 CC(CO)Oc1ccc(cc1N)Cl 7a_100000210500_100012180447 [0,2,0,0,0,0|2,0,0]=4 7005 B13R1.2679 CC(CO)Oc1ccc(cc1N)F 34a_100000759472_100012180447 [0,2,0,0,0,0|2,0,0]=4 7006 B13R1.2679 CC(CO)Oc1ccc(cc1N)F 7a_100000759472_100012180447 [0,2,0,0,0,0|2,0,0]=4 7007 B13R1.2679 CC(CO)Oc1ccc(cc1N)I 34a_100000753495_100012180447 [0,2,0,0,0,0|2,0,0]=4 7008 B13R1.2679 CC(CO)Oc1ccc(cc1N)I 7a_100000753495_100012180447 [0,2,0,0,0,0|2,0,0]=4 7009 B13R1.2679 CC(CO)Oc1ccc(cc1N)N 34a_100000725306_100012180447 [0,2,0,0,0,0|2,0,0]=4 7010 B13R1.2679 CC(CO)Sc1ccc(cc1Br)Br 62a_100012180447_100011484698 [0,2,0,0,0,0|2,0,0]=4 7011 B13R1.2679 CC(CO)Sc1ccc(cc1Br)Cl 62a_100012180447_100011219703 [0,2,0,0,0,0|2,0,0]=4 7012 B13R1.2679 CC(CO)Sc1ccc(cc1Br)F 62a_100012180447_100011217111 [0,2,0,0,0,0|2,0,0]=4 7013 B13R1.2679 CC(CO)Sc1ccc(cc1Br)N 62a_100012180447_100000750458 [0,2,0,0,0,0|2,0,0]=4 7014 B13R1.2679 CC(CO)Sc1ccc(cc1Br)O 62a_100012180447_100000701344 [0,2,0,0,0,0|2,0,0]=4 7015 B13R1.2679 CC(CO)Sc1ccc(cc1Cl)Br 62a_100012180447_100011216062 [0,2,0,0,0,0|2,0,0]=4 7016 B13R1.2679 CC(CO)Sc1ccc(cc1Cl)Cl 62a_100012180447_100000699841 [0,2,0,0,0,0|2,0,0]=4 7017 B13R1.2679 CC(CO)Sc1ccc(cc1Cl)F 62a_100012180447_100000733362 [0,2,0,0,0,0|2,0,0]=4 7018 B13R1.2679 CC(CO)Sc1ccc(cc1Cl)N 62a_100012180447_100000761885 [0,2,0,0,0,0|2,0,0]=4 7019 B13R1.2679 CC(CO)Sc1ccc(cc1Cl)O 62a_100012180447_100000047559 [0,2,0,0,0,0|2,0,0]=4 7020 B13R1.2679 CC(CO)Sc1ccc(cc1F)Br 62a_100012180447_100009814013 [0,2,0,0,0,0|2,0,0]=4 7021 B13R1.2679 CC(CO)Sc1ccc(cc1F)Cl 62a_100012180447_100011216042 [0,2,0,0,0,0|2,0,0]=4 7022 B13R1.2679 CC(CO)Sc1ccc(cc1F)F 62a_100012180447_100000750030 [0,2,0,0,0,0|2,0,0]=4 7023 B13R1.2679 CC(CO)Sc1ccc(cc1F)N 62a_100012180447_100011356925 [0,2,0,0,0,0|2,0,0]=4 7024 B13R1.2679 CC(CO)Sc1ccc(cc1F)O 62a_100012180447_100000755031 [0,2,0,0,0,0|2,0,0]=4 7025 B13R1.2679 CC(CO)Sc1ccc(cc1N)Br 62a_100012180447_100000743836 [0,2,0,0,0,0|2,0,0]=4 7026 B13R1.2679 CC(CO)Sc1ccc(cc1N)Cl 62a_100012180447_100000761886 [0,2,0,0,0,0|2,0,0]=4 7027 B13R1.2679 CC(CO)Sc1ccc(cc1N)F 62a_100012180447_100000687223 [0,2,0,0,0,0|2,0,0]=4 7028 B13R1.2679 CC(CO)Sc1ccc(cc1N)N 62a_100012180447_200012175722 [0,2,0,0,0,0|2,0,0]=4 7029 B13R1.2679 CC(CO)Sc1ccc(cc1N)O 62a_100012180447_100011999798 [0,2,0,0,0,0|2,0,0]=4 7030 B13R1.2679 CC(CO)Sc1ccc(cc1O)Br 62a_100012180447_100012344904 [0,2,0,0,0,0|2,0,0]=4 7031 B13R1.2679 CC(CO)Sc1ccc(cc1O)Cl 62a_100012180447_100000050036 [0,2,0,0,0,0|2,0,0]=4 7032 B13R1.2679 CC(CO)Sc1ccc(cc1O)F 62a_100012180447_100000690578 [0,2,0,0,0,0|2,0,0]=4 7033 B13R1.2679 CC(CO)Sc1ccc(cc1O)O 62a_100012180447_100009813921 [0,2,0,0,0,0|2,0,0]=4 7034 B13R1.2679 C[C@H](CO)Sc1ccc(cc1Br)Br 62a_100011484698_100016084084 [0,2,0,0,0,0|2,0,0]=4 7035 B13R1.2679 C[C@H](CO)Sc1ccc(cc1Br)Br 62a_100016084084_100011484698 [0,2,0,0,0,0|2,0,0]=4 7036 B13R1.2679 C[C@H](CO)Sc1ccc(cc1Br)Cl 62a_100011219703_100016084084 [0,2,0,0,0,0|2,0,0]=4 7037 B13R1.2679 C[C@H](CO)Sc1ccc(cc1Br)Cl 62a_100016084084_100011219703 [0,2,0,0,0,0|2,0,0]=4 7038 B13R1.2679 C[C@H](CO)Sc1ccc(cc1Br)F 62a_100011217111_100016084084 [0,2,0,0,0,0|2,0,0]=4 7039 B13R1.2679 C[C@H](CO)Sc1ccc(cc1Br)F 62a_100016084084_100011217111 [0,2,0,0,0,0|2,0,0]=4 7040 B13R1.2679 C[C@H](CO)Sc1ccc(cc1Br)N 62a_100000750458_100016084084 [0,2,0,0,0,0|2,0,0]=4 7041 B13R1.2679 C[C@H](CO)Sc1ccc(cc1Br)N 62a_100016084084_100000750458 [0,2,0,0,0,0|2,0,0]=4 7042 B13R1.2679 C[C@H](CO)Sc1ccc(cc1Br)O 62a_100000701344_100016084084 [0,2,0,0,0,0|2,0,0]=4 7043 B13R1.2679 C[C@H](CO)Sc1ccc(cc1Br)O 62a_100016084084_100000701344 [0,2,0,0,0,0|2,0,0]=4 7044 B13R1.2679 C[C@H](CO)Sc1ccc(cc1Cl)Br 62a_100011216062_100016084084 [0,2,0,0,0,0|2,0,0]=4 7045 B13R1.2679 C[C@H](CO)Sc1ccc(cc1Cl)Br 62a_100016084084_100011216062 [0,2,0,0,0,0|2,0,0]=4 7046 B13R1.2679 C[C@H](CO)Sc1ccc(cc1Cl)Cl 62a_100000699841_100016084084 [0,2,0,0,0,0|2,0,0]=4 7047 B13R1.2679 C[C@H](CO)Sc1ccc(cc1Cl)Cl 62a_100016084084_100000699841 [0,2,0,0,0,0|2,0,0]=4 7048 B13R1.2679 C[C@H](CO)Sc1ccc(cc1Cl)F 62a_100000733362_100016084084 [0,2,0,0,0,0|2,0,0]=4 7049 B13R1.2679 C[C@H](CO)Sc1ccc(cc1Cl)F 62a_100016084084_100000733362 [0,2,0,0,0,0|2,0,0]=4 7050 B13R1.2679 C[C@H](CO)Sc1ccc(cc1Cl)N 62a_100000761885_100016084084 [0,2,0,0,0,0|2,0,0]=4 7051 B13R1.2679 C[C@H](CO)Sc1ccc(cc1Cl)N 62a_100016084084_100000761885 [0,2,0,0,0,0|2,0,0]=4 7052 B13R1.2679 C[C@H](CO)Sc1ccc(cc1Cl)O 62a_100000047559_100016084084 [0,2,0,0,0,0|2,0,0]=4 7053 B13R1.2679 C[C@H](CO)Sc1ccc(cc1Cl)O 62a_100016084084_100000047559 [0,2,0,0,0,0|2,0,0]=4 7054 B13R1.2679 C[C@H](CO)Sc1ccc(cc1F)Br 62a_100009814013_100016084084 [0,2,0,0,0,0|2,0,0]=4 7055 B13R1.2679 C[C@H](CO)Sc1ccc(cc1F)Br 62a_100016084084_100009814013 [0,2,0,0,0,0|2,0,0]=4 7056 B13R1.2679 C[C@H](CO)Sc1ccc(cc1F)Cl 62a_100011216042_100016084084 [0,2,0,0,0,0|2,0,0]=4 7057 B13R1.2679 C[C@H](CO)Sc1ccc(cc1F)Cl 62a_100016084084_100011216042 [0,2,0,0,0,0|2,0,0]=4 7058 B13R1.2679 C[C@H](CO)Sc1ccc(cc1F)F 62a_100000750030_100016084084 [0,2,0,0,0,0|2,0,0]=4 7059 B13R1.2679 C[C@H](CO)Sc1ccc(cc1F)F 62a_100016084084_100000750030 [0,2,0,0,0,0|2,0,0]=4 7060 B13R1.2679 C[C@H](CO)Sc1ccc(cc1F)N 62a_100011356925_100016084084 [0,2,0,0,0,0|2,0,0]=4 7061 B13R1.2679 C[C@H](CO)Sc1ccc(cc1F)N 62a_100016084084_100011356925 [0,2,0,0,0,0|2,0,0]=4 7062 B13R1.2679 C[C@H](CO)Sc1ccc(cc1F)O 62a_100000755031_100016084084 [0,2,0,0,0,0|2,0,0]=4 7063 B13R1.2679 C[C@H](CO)Sc1ccc(cc1F)O 62a_100016084084_100000755031 [0,2,0,0,0,0|2,0,0]=4 7064 B13R1.2679 C[C@H](CO)Sc1ccc(cc1N)Br 62a_100000743836_100016084084 [0,2,0,0,0,0|2,0,0]=4 7065 B13R1.2679 C[C@H](CO)Sc1ccc(cc1N)Br 62a_100016084084_100000743836 [0,2,0,0,0,0|2,0,0]=4 7066 B13R1.2679 C[C@H](CO)Sc1ccc(cc1N)Cl 62a_100000761886_100016084084 [0,2,0,0,0,0|2,0,0]=4 7067 B13R1.2679 C[C@H](CO)Sc1ccc(cc1N)Cl 62a_100016084084_100000761886 [0,2,0,0,0,0|2,0,0]=4 7068 B13R1.2679 C[C@H](CO)Sc1ccc(cc1N)F 62a_100000687223_100016084084 [0,2,0,0,0,0|2,0,0]=4 7069 B13R1.2679 C[C@H](CO)Sc1ccc(cc1N)F 62a_100016084084_100000687223 [0,2,0,0,0,0|2,0,0]=4 7070 B13R1.2679 C[C@H](CO)Sc1ccc(cc1N)N 62a_100016084084_200012175722 [0,2,0,0,0,0|2,0,0]=4 7071 B13R1.2679 C[C@H](CO)Sc1ccc(cc1N)N 62a_200012175722_100016084084 [0,2,0,0,0,0|2,0,0]=4 7072 B13R1.2679 C[C@H](CO)Sc1ccc(cc1N)O 62a_100011999798_100016084084 [0,2,0,0,0,0|2,0,0]=4 7073 B13R1.2679 C[C@H](CO)Sc1ccc(cc1N)O 62a_100016084084_100011999798 [0,2,0,0,0,0|2,0,0]=4 7074 B13R1.2679 C[C@H](CO)Sc1ccc(cc1O)Br 62a_100012344904_100016084084 [0,2,0,0,0,0|2,0,0]=4 7075 B13R1.2679 C[C@H](CO)Sc1ccc(cc1O)Br 62a_100016084084_100012344904 [0,2,0,0,0,0|2,0,0]=4 7076 B13R1.2679 C[C@H](CO)Sc1ccc(cc1O)Cl 62a_100000050036_100016084084 [0,2,0,0,0,0|2,0,0]=4 7077 B13R1.2679 C[C@H](CO)Sc1ccc(cc1O)Cl 62a_100016084084_100000050036 [0,2,0,0,0,0|2,0,0]=4 7078 B13R1.2679 C[C@H](CO)Sc1ccc(cc1O)F 62a_100000690578_100016084084 [0,2,0,0,0,0|2,0,0]=4 7079 B13R1.2679 C[C@H](CO)Sc1ccc(cc1O)F 62a_100016084084_100000690578 [0,2,0,0,0,0|2,0,0]=4 7080 B13R1.2679 C[C@H](CO)Sc1ccc(cc1O)O 62a_100016084084_100009813921 [0,2,0,0,0,0|2,0,0]=4 7081 B13R1.2679 Cc1cc(ccc1CC(=O)CO)Br 1458a_100000210174_100000708836 [0,2,0,0,0,0|1,0,1]=4 7082 B13R1.2679 Cc1cc(ccc1CC(=O)CO)Cl 1458a_100000210174_100012361307 [0,2,0,0,0,0|1,0,1]=4 7083 B13R1.2679 Cc1cc(ccc1CC(=O)CO)F 1458a_100000210174_100000700533 [0,2,0,0,0,0|1,0,1]=4 7084 B13R1.2679 Cc1cc(ccc1NC(C)CO)Br 34a_100000211769_100012180447 [0,2,0,0,0,0|2,0,0]=4 7085 B13R1.2679 Cc1cc(ccc1NC(C)CO)Br 7a_100000211769_100012180447 [0,2,0,0,0,0|2,0,0]=4 7086 B13R1.2679 Cc1cc(ccc1NC(C)CO)Cl 34a_100000210418_100012180447 [0,2,0,0,0,0|2,0,0]=4 7087 B13R1.2679 Cc1cc(ccc1NC(C)CO)Cl 7a_100000210418_100012180447 [0,2,0,0,0,0|2,0,0]=4 7088 B13R1.2679 Cc1cc(ccc1NC(C)CO)F 34a_100000211637_100012180447 [0,2,0,0,0,0|2,0,0]=4 7089 B13R1.2679 Cc1cc(ccc1NC(C)CO)F 7a_100000211637_100012180447 [0,2,0,0,0,0|2,0,0]=4 7090 B13R1.2679 Cc1cc(ccc1NC(C)CO)I 34a_100000184554_100012180447 [0,2,0,0,0,0|2,0,0]=4 7091 B13R1.2679 Cc1cc(ccc1NC(C)CO)I 7a_100000184554_100012180447 [0,2,0,0,0,0|2,0,0]=4 7092 B13R1.2679 Cc1cc(ccc1NC(C)CO)O 34a_100000756630_100012180447 [0,2,0,0,0,0|2,0,0]=4 7093 B13R1.2679 Cc1cc(ccc1OC(C)CO)Br 34a_100000186361_100012180447 [0,2,0,0,0,0|2,0,0]=4 7094 B13R1.2679 Cc1cc(ccc1OC(C)CO)Br 7a_100000186361_100012180447 [0,2,0,0,0,0|2,0,0]=4 7095 B13R1.2679 Cc1cc(ccc1OC(C)CO)Cl 34a_100000211091_100012180447 [0,2,0,0,0,0|2,0,0]=4 7096 B13R1.2679 Cc1cc(ccc1OC(C)CO)Cl 7a_100000211091_100012180447 [0,2,0,0,0,0|2,0,0]=4 7097 B13R1.2679 Cc1cc(ccc1OC(C)CO)F 34a_100000764316_100012180447 [0,2,0,0,0,0|2,0,0]=4 7098 B13R1.2679 Cc1cc(ccc1OC(C)CO)F 7a_100000764316_100012180447 [0,2,0,0,0,0|2,0,0]=4 7099 B13R1.2679 Cc1cc(ccc1OC(C)CO)I 34a_100011218673_100012180447 [0,2,0,0,0,0|2,0,0]=4 7100 B13R1.2679 Cc1cc(ccc1OC(C)CO)I 7a_100011218673_100012180447 [0,2,0,0,0,0|2,0,0]=4 7101 B13R1.2679 Cc1cc(ccc1OC(C)CO)N 34a_100011218179_100012180447 [0,2,0,0,0,0|2,0,0]=4 7102 B13R1.2679 Cc1cc(ccc1OC(C)CO)N 7a_100011218179_100012180447 [0,2,0,0,0,0|2,0,0]=4 7103 B13R1.2679 Cc1cc(ccc1SC(C)CO)Br 62a_100012180447_100000701812 [0,2,0,0,0,0|2,0,0]=4 7104 B13R1.2679 Cc1cc(ccc1SC(C)CO)Cl 62a_100012180447_100011219607 [0,2,0,0,0,0|2,0,0]=4 7105 B13R1.2679 Cc1cc(ccc1SC(C)CO)F 62a_100012180447_100011205405 [0,2,0,0,0,0|2,0,0]=4 7106 B13R1.2679 Cc1cc(ccc1SC(C)CO)N 62a_100012180447_100000210723 [0,2,0,0,0,0|2,0,0]=4 7107 B13R1.2679 Cc1cc(ccc1SC(C)CO)O 62a_100012180447_100000690111 [0,2,0,0,0,0|2,0,0]=4 7108 B13R1.2679 Cc1cc(ccc1S[C@H](C)CO)Br 62a_100000701812_100016084084 [0,2,0,0,0,0|2,0,0]=4 7109 B13R1.2679 Cc1cc(ccc1S[C@H](C)CO)Br 62a_100016084084_100000701812 [0,2,0,0,0,0|2,0,0]=4 7110 B13R1.2679 Cc1cc(ccc1S[C@H](C)CO)Cl 62a_100011219607_100016084084 [0,2,0,0,0,0|2,0,0]=4 7111 B13R1.2679 Cc1cc(ccc1S[C@H](C)CO)Cl 62a_100016084084_100011219607 [0,2,0,0,0,0|2,0,0]=4 7112 B13R1.2679 Cc1cc(ccc1S[C@H](C)CO)F 62a_100011205405_100016084084 [0,2,0,0,0,0|2,0,0]=4 7113 B13R1.2679 Cc1cc(ccc1S[C@H](C)CO)F 62a_100016084084_100011205405 [0,2,0,0,0,0|2,0,0]=4 7114 B13R1.2679 Cc1cc(ccc1S[C@H](C)CO)N 62a_100000210723_100016084084 [0,2,0,0,0,0|2,0,0]=4 7115 B13R1.2679 Cc1cc(ccc1S[C@H](C)CO)N 62a_100016084084_100000210723 [0,2,0,0,0,0|2,0,0]=4 7116 B13R1.2679 Cc1cc(ccc1S[C@H](C)CO)O 62a_100016084084_100000690111 [0,2,0,0,0,0|2,0,0]=4 7117 B13R1.2679 Cc1ccc(c(c1)Br)NC(C)CO 34a_100000210942_100012180447 [0,2,0,0,0,0|2,0,0]=4 7118 B13R1.2679 Cc1ccc(c(c1)Br)OC(C)CO 34a_100000210800_100012180447 [0,2,0,0,0,0|2,0,0]=4 7119 B13R1.2679 Cc1ccc(c(c1)Br)OC(C)CO 7a_100000210800_100012180447 [0,2,0,0,0,0|2,0,0]=4 7120 B13R1.2679 Cc1ccc(c(c1)Br)SC(C)CO 62a_100012180447_100009813563 [0,2,0,0,0,0|2,0,0]=4 7121 B13R1.2679 Cc1ccc(c(c1)Br)S[C@H](C)CO 62a_100009813563_100016084084 [0,2,0,0,0,0|2,0,0]=4 7122 B13R1.2679 Cc1ccc(c(c1)Br)S[C@H](C)CO 62a_100016084084_100009813563 [0,2,0,0,0,0|2,0,0]=4 7123 B13R1.2679 Cc1ccc(c(c1)C)CC(=O)CO 1458a_100000210174_100011219618 [0,2,0,0,0,0|1,0,1]=4 7124 B13R1.2679 Cc1ccc(c(c1)C)NC(C)CO 34a_100000736561_100012180447 [0,2,0,0,0,0|2,0,0]=4 7125 B13R1.2679 Cc1ccc(c(c1)C)NC(C)CO 7a_100000736561_100012180447 [0,2,0,0,0,0|2,0,0]=4 7126 B13R1.2679 Cc1ccc(c(c1)C)OC(C)CO 34a_100000211776_100012180447 [0,2,0,0,0,0|2,0,0]=4 7127 B13R1.2679 Cc1ccc(c(c1)C)OC(C)CO 7a_100000211776_100012180447 [0,2,0,0,0,0|2,0,0]=4 7128 B13R1.2679 Cc1ccc(c(c1)C)SC(C)CO 62a_100012180447_100011217332 [0,2,0,0,0,0|2,0,0]=4 7129 B13R1.2679 Cc1ccc(c(c1)C)S[C@H](C)CO 62a_100011217332_100016084084 [0,2,0,0,0,0|2,0,0]=4 7130 B13R1.2679 Cc1ccc(c(c1)C)S[C@H](C)CO 62a_100016084084_100011217332 [0,2,0,0,0,0|2,0,0]=4 7131 B13R1.2679 Cc1ccc(c(c1)Cl)CC(=O)CO 1458a_100000210174_100012349684 [0,2,0,0,0,0|1,0,1]=4 7132 B13R1.2679 Cc1ccc(c(c1)Cl)NC(C)CO 34a_100000210522_100012180447 [0,2,0,0,0,0|2,0,0]=4 7133 B13R1.2679 Cc1ccc(c(c1)Cl)OC(C)CO 34a_100000749699_100012180447 [0,2,0,0,0,0|2,0,0]=4 7134 B13R1.2679 Cc1ccc(c(c1)Cl)OC(C)CO 7a_100000749699_100012180447 [0,2,0,0,0,0|2,0,0]=4 7135 B13R1.2679 Cc1ccc(c(c1)Cl)SC(C)CO 62a_100012180447_100011263221 [0,2,0,0,0,0|2,0,0]=4 7136 B13R1.2679 Cc1ccc(c(c1)Cl)S[C@H](C)CO 62a_100011263221_100016084084 [0,2,0,0,0,0|2,0,0]=4 7137 B13R1.2679 Cc1ccc(c(c1)Cl)S[C@H](C)CO 62a_100016084084_100011263221 [0,2,0,0,0,0|2,0,0]=4 7138 B13R1.2679 Cc1ccc(c(c1)F)CC(=O)CO 1458a_100000210174_100012002367 [0,2,0,0,0,0|1,0,1]=4 7139 B13R1.2679 Cc1ccc(c(c1)F)NC(C)CO 34a_100000211023_100012180447 [0,2,0,0,0,0|2,0,0]=4 7140 B13R1.2679 Cc1ccc(c(c1)F)OC(C)CO 34a_100011216688_100012180447 [0,2,0,0,0,0|2,0,0]=4 7141 B13R1.2679 Cc1ccc(c(c1)F)OC(C)CO 7a_100011216688_100012180447 [0,2,0,0,0,0|2,0,0]=4 7142 B13R1.2679 Cc1ccc(c(c1)F)SC(C)CO 62a_100012180447_100011216119 [0,2,0,0,0,0|2,0,0]=4 7143 B13R1.2679 Cc1ccc(c(c1)F)S[C@H](C)CO 62a_100011216119_100016084084 [0,2,0,0,0,0|2,0,0]=4 7144 B13R1.2679 Cc1ccc(c(c1)F)S[C@H](C)CO 62a_100016084084_100011216119 [0,2,0,0,0,0|2,0,0]=4 7145 B13R1.2679 Cc1ccc(c(c1)I)NC(C)CO 34a_100011356834_100012180447 [0,2,0,0,0,0|2,0,0]=4 7146 B13R1.2679 Cc1ccc(c(c1)I)OC(C)CO 34a_100000765521_100012180447 [0,2,0,0,0,0|2,0,0]=4 7147 B13R1.2679 Cc1ccc(c(c1)I)OC(C)CO 7a_100000765521_100012180447 [0,2,0,0,0,0|2,0,0]=4 7148 B13R1.2679 Cc1ccc(c(c1)N)OC(C)CO 34a_100011215204_100012180447 [0,2,0,0,0,0|2,0,0]=4 7149 B13R1.2679 Cc1ccc(c(c1)N)OC(C)CO 7a_100011215204_100012180447 [0,2,0,0,0,0|2,0,0]=4 7150 B13R1.2679 Cc1ccc(c(c1)N)SC(C)CO 62a_100012180447_100011216686 [0,2,0,0,0,0|2,0,0]=4 7151 B13R1.2679 Cc1ccc(c(c1)N)S[C@H](C)CO 62a_100011216686_100016084084 [0,2,0,0,0,0|2,0,0]=4 7152 B13R1.2679 Cc1ccc(c(c1)N)S[C@H](C)CO 62a_100016084084_100011216686 [0,2,0,0,0,0|2,0,0]=4 7153 B13R1.2679 Cc1ccc(c(c1)O)NC(C)CO 34a_100000211527_100012180447 [0,2,0,0,0,0|2,0,0]=4 7154 B13R1.2679 Cc1ccc(c(c1)O)SC(C)CO 62a_100012180447_100012002257 [0,2,0,0,0,0|2,0,0]=4 7155 B13R1.2679 Cc1ccc(c(c1)O)S[C@H](C)CO 62a_100012002257_100016084084 [0,2,0,0,0,0|2,0,0]=4 7156 B13R1.2679 Cc1ccc(c(c1)O)S[C@H](C)CO 62a_100016084084_100012002257 [0,2,0,0,0,0|2,0,0]=4 7157 B13R1.2679 O=C(CO)Cc1ccc(cc1Br)Br 1458a_100000210174_200012351560 [0,2,0,0,0,0|1,0,1]=4 7158 B13R1.2679 O=C(CO)Cc1ccc(cc1Br)Cl 1458a_100000210174_100000755608 [0,2,0,0,0,0|1,0,1]=4 7159 B13R1.2679 O=C(CO)Cc1ccc(cc1Br)F 1458a_100000210174_100000243222 [0,2,0,0,0,0|1,0,1]=4 7160 B13R1.2679 O=C(CO)Cc1ccc(cc1Br)I 1458a_100000210174_100010146610 [0,2,0,0,0,0|1,0,1]=4 7161 B13R1.2679 O=C(CO)Cc1ccc(cc1Cl)Br 1458a_100000210174_100011740631 [0,2,0,0,0,0|1,0,1]=4 7162 B13R1.2679 O=C(CO)Cc1ccc(cc1Cl)Cl 1458a_100000210174_100000188473 [0,2,0,0,0,0|1,0,1]=4 7163 B13R1.2679 O=C(CO)Cc1ccc(cc1Cl)F 1458a_100000210174_100011216360 [0,2,0,0,0,0|1,0,1]=4 7164 B13R1.2679 O=C(CO)Cc1ccc(cc1F)Br 1458a_100000210174_100000211606 [0,2,0,0,0,0|1,0,1]=4 7165 B13R1.2679 O=C(CO)Cc1ccc(cc1F)Cl 1458a_100000210174_100000709361 [0,2,0,0,0,0|1,0,1]=4 7166 B13R1.2679 O=C(CO)Cc1ccc(cc1F)F 1458a_100000210174_100000748237 [0,2,0,0,0,0|1,0,1]=4 7167 B13R1.2679 O=C(CO)Cc1ccc(cc1F)I 1458a_100000210174_100010244991 [0,2,0,0,0,0|1,0,1]=4 7168 B13R1.2679 O=C(CO)Cc1ccc(cc1I)Br 1458a_100000210174_100010146615 [0,2,0,0,0,0|1,0,1]=4 7169 B13R1.2679 O=C(CO)Cc1ccc(cc1I)Cl 1458a_100000210174_100010254388 [0,2,0,0,0,0|1,0,1]=4 7170 B13R1.2679 O=C(CO)Cc1ccc(cc1I)F 1458a_100000210174_100012354799 [0,2,0,0,0,0|1,0,1]=4 7171 B13R1.2879 CC(CO)Nc1ccc(c(c1)Br)Br 2230a_100011306057_100012180447 [0,2,0,0,0,0|2,0,0]=4 7172 B13R1.2879 CC(CO)Nc1ccc(c(c1)Br)Br 34a_100011306057_100012180447 [0,2,0,0,0,0|2,0,0]=4 7173 B13R1.2879 CC(CO)Nc1ccc(c(c1)Br)Br 7a_100011306057_100012180447 [0,2,0,0,0,0|2,0,0]=4 7174 B13R1.2879 CC(CO)Nc1ccc(c(c1)Br)Cl 2230a_100000686031_100012180447 [0,2,0,0,0,0|2,0,0]=4 7175 B13R1.2879 CC(CO)Nc1ccc(c(c1)Br)Cl 34a_100000686031_100012180447 [0,2,0,0,0,0|2,0,0]=4 7176 B13R1.2879 CC(CO)Nc1ccc(c(c1)Br)F 2230a_100000760356_100012180447 [0,2,0,0,0,0|2,0,0]=4 7177 B13R1.2879 CC(CO)Nc1ccc(c(c1)Br)F 34a_100000760356_100012180447 [0,2,0,0,0,0|2,0,0]=4 7178 B13R1.2879 CC(CO)Nc1ccc(c(c1)Br)F 7a_100000760356_100012180447 [0,2,0,0,0,0|2,0,0]=4 7179 B13R1.2879 CC(CO)Nc1ccc(c(c1)Br)I 34a_100000750458_100012180447 [0,2,0,0,0,0|2,0,0]=4 7180 B13R1.2879 CC(CO)Nc1ccc(c(c1)Br)O 34a_100011534360_100012180447 [0,2,0,0,0,0|2,0,0]=4 7181 B13R1.2879 CC(CO)Nc1ccc(c(c1)Cl)Br 2230a_100000687081_100012180447 [0,2,0,0,0,0|2,0,0]=4 7182 B13R1.2879 CC(CO)Nc1ccc(c(c1)Cl)Br 34a_100000687081_100012180447 [0,2,0,0,0,0|2,0,0]=4 7183 B13R1.2879 CC(CO)Nc1ccc(c(c1)Cl)Br 7a_100000687081_100012180447 [0,2,0,0,0,0|2,0,0]=4 7184 B13R1.2879 CC(CO)Nc1ccc(c(c1)Cl)Cl 2230a_100000184108_100012180447 [0,2,0,0,0,0|2,0,0]=4 7185 B13R1.2879 CC(CO)Nc1ccc(c(c1)Cl)Cl 34a_100000184108_100012180447 [0,2,0,0,0,0|2,0,0]=4 7186 B13R1.2879 CC(CO)Nc1ccc(c(c1)Cl)F 2230a_100000211060_100012180447 [0,2,0,0,0,0|2,0,0]=4 7187 B13R1.2879 CC(CO)Nc1ccc(c(c1)Cl)F 34a_100000211060_100012180447 [0,2,0,0,0,0|2,0,0]=4 7188 B13R1.2879 CC(CO)Nc1ccc(c(c1)Cl)F 7a_100000211060_100012180447 [0,2,0,0,0,0|2,0,0]=4 7189 B13R1.2879 CC(CO)Nc1ccc(c(c1)Cl)I 34a_100000761885_100012180447 [0,2,0,0,0,0|2,0,0]=4 7190 B13R1.2879 CC(CO)Nc1ccc(c(c1)Cl)O 34a_100000744943_100012180447 [0,2,0,0,0,0|2,0,0]=4 7191 B13R1.2879 CC(CO)Nc1ccc(c(c1)F)Br 2230a_100000759894_100012180447 [0,2,0,0,0,0|2,0,0]=4 7192 B13R1.2879 CC(CO)Nc1ccc(c(c1)F)Br 34a_100000759894_100012180447 [0,2,0,0,0,0|2,0,0]=4 7193 B13R1.2879 CC(CO)Nc1ccc(c(c1)F)Br 7a_100000759894_100012180447 [0,2,0,0,0,0|2,0,0]=4 7194 B13R1.2879 CC(CO)Nc1ccc(c(c1)F)Cl 2230a_100000739366_100012180447 [0,2,0,0,0,0|2,0,0]=4 7195 B13R1.2879 CC(CO)Nc1ccc(c(c1)F)Cl 34a_100000739366_100012180447 [0,2,0,0,0,0|2,0,0]=4 7196 B13R1.2879 CC(CO)Nc1ccc(c(c1)F)Cl 7a_100000739366_100012180447 [0,2,0,0,0,0|2,0,0]=4 7197 B13R1.2879 CC(CO)Nc1ccc(c(c1)F)F 2230a_100000210724_100012180447 [0,2,0,0,0,0|2,0,0]=4 7198 B13R1.2879 CC(CO)Nc1ccc(c(c1)F)F 34a_100000210724_100012180447 [0,2,0,0,0,0|2,0,0]=4 7199 B13R1.2879 CC(CO)Nc1ccc(c(c1)F)F 7a_100000210724_100012180447 [0,2,0,0,0,0|2,0,0]=4 7200 B13R1.2879 CC(CO)Nc1ccc(c(c1)F)I 34a_100011356925_100012180447 [0,2,0,0,0,0|2,0,0]=4 7201 B13R1.2879 CC(CO)Nc1ccc(c(c1)F)I 7a_100011356925_100012180447 [0,2,0,0,0,0|2,0,0]=4 7202 B13R1.2879 CC(CO)Nc1ccc(c(c1)F)O 34a_100011220035_100012180447 [0,2,0,0,0,0|2,0,0]=4 7203 B13R1.2879 CC(CO)Nc1ccc(c(c1)F)O 7a_100011220035_100012180447 [0,2,0,0,0,0|2,0,0]=4 7204 B13R1.2879 CC(CO)Nc1ccc(c(c1)I)Br 34a_100000750459_100012180447 [0,2,0,0,0,0|2,0,0]=4 7205 B13R1.2879 CC(CO)Nc1ccc(c(c1)I)Cl 34a_100012360549_100012180447 [0,2,0,0,0,0|2,0,0]=4 7206 B13R1.2879 CC(CO)Nc1ccc(c(c1)I)F 34a_114828291077_100012180447 [0,2,0,0,0,0|2,0,0]=4 7207 B13R1.2879 CC(CO)Nc1ccc(c(c1)I)F 7a_114828291077_100012180447 [0,2,0,0,0,0|2,0,0]=4 7208 B13R1.2879 CC(CO)Nc1ccc(c(c1)O)Cl 34a_100011934209_100012180447 [0,2,0,0,0,0|2,0,0]=4 7209 B13R1.2879 CC(CO)Nc1ccc(c(c1)O)F 34a_100012017398_100012180447 [0,2,0,0,0,0|2,0,0]=4 7210 B13R1.2879 CC(CO)Nc1ccc(c(c1)O)F 7a_100012017398_100012180447 [0,2,0,0,0,0|2,0,0]=4 7211 B13R1.2879 CC(CO)Nc1ccc(c(c1)O)O 34a_100102946323_100012180447 [0,2,0,0,0,0|2,0,0]=4 7212 B13R1.2879 CC(CO)Oc1ccc(c(c1)Br)Cl 34a_100011933957_100012180447 [0,2,0,0,0,0|2,0,0]=4 7213 B13R1.2879 CC(CO)Oc1ccc(c(c1)Br)Cl 7a_100011933957_100012180447 [0,2,0,0,0,0|2,0,0]=4 7214 B13R1.2879 CC(CO)Oc1ccc(c(c1)Br)F 34a_100000693481_100012180447 [0,2,0,0,0,0|2,0,0]=4 7215 B13R1.2879 CC(CO)Oc1ccc(c(c1)Br)F 7a_100000693481_100012180447 [0,2,0,0,0,0|2,0,0]=4 7216 B13R1.2879 CC(CO)Oc1ccc(c(c1)Br)I 34a_100000701344_100012180447 [0,2,0,0,0,0|2,0,0]=4 7217 B13R1.2879 CC(CO)Oc1ccc(c(c1)Br)I 7a_100000701344_100012180447 [0,2,0,0,0,0|2,0,0]=4 7218 B13R1.2879 CC(CO)Oc1ccc(c(c1)Br)N 34a_100012001276_100012180447 [0,2,0,0,0,0|2,0,0]=4 7219 B13R1.2879 CC(CO)Oc1ccc(c(c1)Br)N 7a_100012001276_100012180447 [0,2,0,0,0,0|2,0,0]=4 7220 B13R1.2879 CC(CO)Oc1ccc(c(c1)Cl)Br 34a_100011215161_100012180447 [0,2,0,0,0,0|2,0,0]=4 7221 B13R1.2879 CC(CO)Oc1ccc(c(c1)Cl)Br 7a_100011215161_100012180447 [0,2,0,0,0,0|2,0,0]=4 7222 B13R1.2879 CC(CO)Oc1ccc(c(c1)Cl)Cl 34a_100000211054_100012180447 [0,2,0,0,0,0|2,0,0]=4 7223 B13R1.2879 CC(CO)Oc1ccc(c(c1)Cl)Cl 7a_100000211054_100012180447 [0,2,0,0,0,0|2,0,0]=4 7224 B13R1.2879 CC(CO)Oc1ccc(c(c1)Cl)F 34a_100000211030_100012180447 [0,2,0,0,0,0|2,0,0]=4 7225 B13R1.2879 CC(CO)Oc1ccc(c(c1)Cl)F 7a_100000211030_100012180447 [0,2,0,0,0,0|2,0,0]=4 7226 B13R1.2879 CC(CO)Oc1ccc(c(c1)Cl)I 34a_100000047559_100012180447 [0,2,0,0,0,0|2,0,0]=4 7227 B13R1.2879 CC(CO)Oc1ccc(c(c1)Cl)I 7a_100000047559_100012180447 [0,2,0,0,0,0|2,0,0]=4 7228 B13R1.2879 CC(CO)Oc1ccc(c(c1)Cl)N 34a_100011215599_100012180447 [0,2,0,0,0,0|2,0,0]=4 7229 B13R1.2879 CC(CO)Oc1ccc(c(c1)Cl)N 7a_100011215599_100012180447 [0,2,0,0,0,0|2,0,0]=4 7230 B13R1.2879 CC(CO)Oc1ccc(c(c1)F)Br 34a_100000755031_100012180447 [0,2,0,0,0,0|2,0,0]=4 7231 B13R1.2879 CC(CO)Oc1ccc(c(c1)F)Br 7a_100000755031_100012180447 [0,2,0,0,0,0|2,0,0]=4 7232 B13R1.2879 CC(CO)Oc1ccc(c(c1)F)Cl 34a_100000691581_100012180447 [0,2,0,0,0,0|2,0,0]=4 7233 B13R1.2879 CC(CO)Oc1ccc(c(c1)F)Cl 7a_100000691581_100012180447 [0,2,0,0,0,0|2,0,0]=4 7234 B13R1.2879 CC(CO)Oc1ccc(c(c1)F)F 34a_100000181275_100012180447 [0,2,0,0,0,0|2,0,0]=4 7235 B13R1.2879 CC(CO)Oc1ccc(c(c1)F)F 7a_100000181275_100012180447 [0,2,0,0,0,0|2,0,0]=4 7236 B13R1.2879 CC(CO)Oc1ccc(c(c1)F)I 34a_100009990212_100012180447 [0,2,0,0,0,0|2,0,0]=4 7237 B13R1.2879 CC(CO)Oc1ccc(c(c1)F)I 7a_100009990212_100012180447 [0,2,0,0,0,0|2,0,0]=4 7238 B13R1.2879 CC(CO)Oc1ccc(c(c1)F)N 34a_100000759473_100012180447 [0,2,0,0,0,0|2,0,0]=4 7239 B13R1.2879 CC(CO)Oc1ccc(c(c1)F)N 7a_100000759473_100012180447 [0,2,0,0,0,0|2,0,0]=4 7240 B13R1.2879 CC(CO)Oc1ccc(c(c1)I)Br 34a_100012339312_100012180447 [0,2,0,0,0,0|2,0,0]=4 7241 B13R1.2879 CC(CO)Oc1ccc(c(c1)I)Br 7a_100012339312_100012180447 [0,2,0,0,0,0|2,0,0]=4 7242 B13R1.2879 CC(CO)Oc1ccc(c(c1)I)Cl 34a_100000049588_100012180447 [0,2,0,0,0,0|2,0,0]=4 7243 B13R1.2879 CC(CO)Oc1ccc(c(c1)I)Cl 7a_100000049588_100012180447 [0,2,0,0,0,0|2,0,0]=4 7244 B13R1.2879 CC(CO)Oc1ccc(c(c1)I)N 34a_100010084370_100012180447 [0,2,0,0,0,0|2,0,0]=4 7245 B13R1.2879 CC(CO)Oc1ccc(c(c1)I)N 7a_100010084370_100012180447 [0,2,0,0,0,0|2,0,0]=4 7246 B13R1.2879 CC(CO)Oc1ccc(c(c1)N)Br 34a_100011999798_100012180447 [0,2,0,0,0,0|2,0,0]=4 7247 B13R1.2879 CC(CO)Oc1ccc(c(c1)N)Br 7a_100011999798_100012180447 [0,2,0,0,0,0|2,0,0]=4 7248 B13R1.2879 CC(CO)Oc1ccc(c(c1)N)Cl 34a_100011934297_100012180447 [0,2,0,0,0,0|2,0,0]=4 7249 B13R1.2879 CC(CO)Oc1ccc(c(c1)N)F 34a_100012017239_100012180447 [0,2,0,0,0,0|2,0,0]=4 7250 B13R1.2879 CC(CO)Oc1ccc(c(c1)N)F 7a_100012017239_100012180447 [0,2,0,0,0,0|2,0,0]=4 7251 B13R1.2879 CC(CO)Oc1ccc(c(c1)N)N 34a_100025771000_100012180447 [0,2,0,0,0,0|2,0,0]=4 7252 B13R1.2879 CC(CO)Sc1ccc(c(c1)Br)Br 62a_100012180447_100012356285 [0,2,0,0,0,0|2,0,0]=4 7253 B13R1.2879 CC(CO)Sc1ccc(c(c1)Br)Cl 62a_100012180447_100012353702 [0,2,0,0,0,0|2,0,0]=4 7254 B13R1.2879 CC(CO)Sc1ccc(c(c1)Br)F 62a_100012180447_100012047266 [0,2,0,0,0,0|2,0,0]=4 7255 B13R1.2879 CC(CO)Sc1ccc(c(c1)Br)N 62a_100012180447_100000750455 [0,2,0,0,0,0|2,0,0]=4 7256 B13R1.2879 CC(CO)Sc1ccc(c(c1)Br)O 62a_100012180447_100012361655 [0,2,0,0,0,0|2,0,0]=4 7257 B13R1.2879 CC(CO)Sc1ccc(c(c1)Cl)Br 62a_100012180447_100012047281 [0,2,0,0,0,0|2,0,0]=4 7258 B13R1.2879 CC(CO)Sc1ccc(c(c1)Cl)Cl 62a_100012180447_100011214914 [0,2,0,0,0,0|2,0,0]=4 7259 B13R1.2879 CC(CO)Sc1ccc(c(c1)Cl)F 62a_100012180447_100011215976 [0,2,0,0,0,0|2,0,0]=4 7260 B13R1.2879 CC(CO)Sc1ccc(c(c1)Cl)N 62a_100012180447_100011218065 [0,2,0,0,0,0|2,0,0]=4 7261 B13R1.2879 CC(CO)Sc1ccc(c(c1)Cl)O 62a_100012180447_100012360047 [0,2,0,0,0,0|2,0,0]=4 7262 B13R1.2879 CC(CO)Sc1ccc(c(c1)F)Br 62a_100012180447_100000685389 [0,2,0,0,0,0|2,0,0]=4 7263 B13R1.2879 CC(CO)Sc1ccc(c(c1)F)Cl 62a_100012180447_100011216805 [0,2,0,0,0,0|2,0,0]=4 7264 B13R1.2879 CC(CO)Sc1ccc(c(c1)F)F 62a_100012180447_100000703953 [0,2,0,0,0,0|2,0,0]=4 7265 B13R1.2879 CC(CO)Sc1ccc(c(c1)F)N 62a_100012180447_100011215594 [0,2,0,0,0,0|2,0,0]=4 7266 B13R1.2879 CC(CO)Sc1ccc(c(c1)F)O 62a_100012180447_100000185481 [0,2,0,0,0,0|2,0,0]=4 7267 B13R1.2879 CC(CO)Sc1ccc(c(c1)N)Br 62a_100012180447_100000750456 [0,2,0,0,0,0|2,0,0]=4 7268 B13R1.2879 CC(CO)Sc1ccc(c(c1)N)Cl 62a_100012180447_200000761891 [0,2,0,0,0,0|2,0,0]=4 7269 B13R1.2879 CC(CO)Sc1ccc(c(c1)N)F 62a_100012180447_100000740924 [0,2,0,0,0,0|2,0,0]=4 7270 B13R1.2879 CC(CO)Sc1ccc(c(c1)N)N 62a_100012180447_100011534411 [0,2,0,0,0,0|2,0,0]=4 7271 B13R1.2879 CC(CO)Sc1ccc(c(c1)N)O 62a_100012180447_100000752626 [0,2,0,0,0,0|2,0,0]=4 7272 B13R1.2879 CC(CO)Sc1ccc(c(c1)O)Br 62a_100012180447_100012356990 [0,2,0,0,0,0|2,0,0]=4 7273 B13R1.2879 CC(CO)Sc1ccc(c(c1)O)Cl 62a_100012180447_100011356854 [0,2,0,0,0,0|2,0,0]=4 7274 B13R1.2879 CC(CO)Sc1ccc(c(c1)O)F 62a_100012180447_100000686035 [0,2,0,0,0,0|2,0,0]=4 7275 B13R1.2879 CC(CO)Sc1ccc(c(c1)O)N 62a_100012180447_100000739049 [0,2,0,0,0,0|2,0,0]=4 7276 B13R1.2879 CC(CO)Sc1ccc(c(c1)O)O 62a_100012180447_100009813601 [0,2,0,0,0,0|2,0,0]=4 7277 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)Br)Br 62a_100012356285_100016084084 [0,2,0,0,0,0|2,0,0]=4 7278 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)Br)Br 62a_100016084084_100012356285 [0,2,0,0,0,0|2,0,0]=4 7279 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)Br)Cl 62a_100012353702_100016084084 [0,2,0,0,0,0|2,0,0]=4 7280 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)Br)Cl 62a_100016084084_100012353702 [0,2,0,0,0,0|2,0,0]=4 7281 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)Br)F 62a_100012047266_100016084084 [0,2,0,0,0,0|2,0,0]=4 7282 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)Br)F 62a_100016084084_100012047266 [0,2,0,0,0,0|2,0,0]=4 7283 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)Br)N 62a_100000750455_100016084084 [0,2,0,0,0,0|2,0,0]=4 7284 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)Br)N 62a_100016084084_100000750455 [0,2,0,0,0,0|2,0,0]=4 7285 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)Br)O 62a_100012361655_100016084084 [0,2,0,0,0,0|2,0,0]=4 7286 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)Br)O 62a_100016084084_100012361655 [0,2,0,0,0,0|2,0,0]=4 7287 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)Cl)Br 62a_100012047281_100016084084 [0,2,0,0,0,0|2,0,0]=4 7288 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)Cl)Br 62a_100016084084_100012047281 [0,2,0,0,0,0|2,0,0]=4 7289 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)Cl)Cl 62a_100011214914_100016084084 [0,2,0,0,0,0|2,0,0]=4 7290 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)Cl)Cl 62a_100016084084_100011214914 [0,2,0,0,0,0|2,0,0]=4 7291 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)Cl)F 62a_100011215976_100016084084 [0,2,0,0,0,0|2,0,0]=4 7292 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)Cl)F 62a_100016084084_100011215976 [0,2,0,0,0,0|2,0,0]=4 7293 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)Cl)N 62a_100011218065_100016084084 [0,2,0,0,0,0|2,0,0]=4 7294 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)Cl)N 62a_100016084084_100011218065 [0,2,0,0,0,0|2,0,0]=4 7295 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)Cl)O 62a_100012360047_100016084084 [0,2,0,0,0,0|2,0,0]=4 7296 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)Cl)O 62a_100016084084_100012360047 [0,2,0,0,0,0|2,0,0]=4 7297 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)F)Br 62a_100000685389_100016084084 [0,2,0,0,0,0|2,0,0]=4 7298 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)F)Br 62a_100016084084_100000685389 [0,2,0,0,0,0|2,0,0]=4 7299 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)F)Cl 62a_100011216805_100016084084 [0,2,0,0,0,0|2,0,0]=4 7300 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)F)Cl 62a_100016084084_100011216805 [0,2,0,0,0,0|2,0,0]=4 7301 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)F)F 62a_100000703953_100016084084 [0,2,0,0,0,0|2,0,0]=4 7302 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)F)F 62a_100016084084_100000703953 [0,2,0,0,0,0|2,0,0]=4 7303 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)F)N 62a_100011215594_100016084084 [0,2,0,0,0,0|2,0,0]=4 7304 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)F)N 62a_100016084084_100011215594 [0,2,0,0,0,0|2,0,0]=4 7305 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)F)O 62a_100000185481_100016084084 [0,2,0,0,0,0|2,0,0]=4 7306 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)F)O 62a_100016084084_100000185481 [0,2,0,0,0,0|2,0,0]=4 7307 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)N)Br 62a_100000750456_100016084084 [0,2,0,0,0,0|2,0,0]=4 7308 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)N)Br 62a_100016084084_100000750456 [0,2,0,0,0,0|2,0,0]=4 7309 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)N)Cl 62a_100016084084_200000761891 [0,2,0,0,0,0|2,0,0]=4 7310 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)N)Cl 62a_200000761891_100016084084 [0,2,0,0,0,0|2,0,0]=4 7311 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)N)F 62a_100000740924_100016084084 [0,2,0,0,0,0|2,0,0]=4 7312 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)N)F 62a_100016084084_100000740924 [0,2,0,0,0,0|2,0,0]=4 7313 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)N)N 62a_100000741789_100016084084 [0,2,0,0,0,0|2,0,0]=4 7314 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)N)N 62a_100016084084_100011534411 [0,2,0,0,0,0|2,0,0]=4 7315 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)N)O 62a_100000752626_100016084084 [0,2,0,0,0,0|2,0,0]=4 7316 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)N)O 62a_100016084084_100000752626 [0,2,0,0,0,0|2,0,0]=4 7317 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)O)Br 62a_100012356990_100016084084 [0,2,0,0,0,0|2,0,0]=4 7318 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)O)Br 62a_100016084084_100012356990 [0,2,0,0,0,0|2,0,0]=4 7319 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)O)Cl 62a_100011356854_100016084084 [0,2,0,0,0,0|2,0,0]=4 7320 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)O)Cl 62a_100016084084_100011356854 [0,2,0,0,0,0|2,0,0]=4 7321 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)O)F 62a_100000686035_100016084084 [0,2,0,0,0,0|2,0,0]=4 7322 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)O)F 62a_100016084084_100000686035 [0,2,0,0,0,0|2,0,0]=4 7323 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)O)N 62a_100000739049_100016084084 [0,2,0,0,0,0|2,0,0]=4 7324 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)O)N 62a_100016084084_100000739049 [0,2,0,0,0,0|2,0,0]=4 7325 B13R1.2879 C[C@H](CO)Sc1ccc(c(c1)O)O 62a_100016084084_100009813601 [0,2,0,0,0,0|2,0,0]=4 7326 B13R1.2879 Cc1cc(ccc1Br)CC(=O)CO 1458a_100000210174_100000727479 [0,2,0,0,0,0|1,0,1]=4 7327 B13R1.2879 Cc1cc(ccc1Br)NC(C)CO 2230a_100000210723_100012180447 [0,2,0,0,0,0|2,0,0]=4 7328 B13R1.2879 Cc1cc(ccc1Br)NC(C)CO 34a_100000210723_100012180447 [0,2,0,0,0,0|2,0,0]=4 7329 B13R1.2879 Cc1cc(ccc1Br)NC(C)CO 7a_100000210723_100012180447 [0,2,0,0,0,0|2,0,0]=4 7330 B13R1.2879 Cc1cc(ccc1Br)OC(C)CO 34a_100000690111_100012180447 [0,2,0,0,0,0|2,0,0]=4 7331 B13R1.2879 Cc1cc(ccc1Br)OC(C)CO 7a_100000690111_100012180447 [0,2,0,0,0,0|2,0,0]=4 7332 B13R1.2879 Cc1cc(ccc1Br)SC(C)CO 62a_100012180447_100009813585 [0,2,0,0,0,0|2,0,0]=4 7333 B13R1.2879 Cc1cc(ccc1Br)S[C@H](C)CO 62a_100009813585_100016084084 [0,2,0,0,0,0|2,0,0]=4 7334 B13R1.2879 Cc1cc(ccc1Br)S[C@H](C)CO 62a_100016084084_100009813585 [0,2,0,0,0,0|2,0,0]=4 7335 B13R1.2879 Cc1cc(ccc1Cl)CC(=O)CO 1458a_100000210174_100012184735 [0,2,0,0,0,0|1,0,1]=4 7336 B13R1.2879 Cc1cc(ccc1Cl)NC(C)CO 2230a_100000187808_100012180447 [0,2,0,0,0,0|2,0,0]=4 7337 B13R1.2879 Cc1cc(ccc1Cl)NC(C)CO 34a_100000187808_100012180447 [0,2,0,0,0,0|2,0,0]=4 7338 B13R1.2879 Cc1cc(ccc1Cl)NC(C)CO 7a_100000187808_100012180447 [0,2,0,0,0,0|2,0,0]=4 7339 B13R1.2879 Cc1cc(ccc1Cl)OC(C)CO 34a_100000211092_100012180447 [0,2,0,0,0,0|2,0,0]=4 7340 B13R1.2879 Cc1cc(ccc1Cl)OC(C)CO 7a_100000211092_100012180447 [0,2,0,0,0,0|2,0,0]=4 7341 B13R1.2879 Cc1cc(ccc1Cl)SC(C)CO 62a_100012180447_100000049509 [0,2,0,0,0,0|2,0,0]=4 7342 B13R1.2879 Cc1cc(ccc1Cl)S[C@H](C)CO 62a_100000049509_100016084084 [0,2,0,0,0,0|2,0,0]=4 7343 B13R1.2879 Cc1cc(ccc1Cl)S[C@H](C)CO 62a_100016084084_100000049509 [0,2,0,0,0,0|2,0,0]=4 7344 B13R1.2879 Cc1cc(ccc1F)CC(=O)CO 1458a_100000210174_100011216667 [0,2,0,0,0,0|1,0,1]=4 7345 B13R1.2879 Cc1cc(ccc1F)NC(C)CO 2230a_100000750164_100012180447 [0,2,0,0,0,0|2,0,0]=4 7346 B13R1.2879 Cc1cc(ccc1F)NC(C)CO 34a_100000750164_100012180447 [0,2,0,0,0,0|2,0,0]=4 7347 B13R1.2879 Cc1cc(ccc1F)NC(C)CO 7a_100000750164_100012180447 [0,2,0,0,0,0|2,0,0]=4 7348 B13R1.2879 Cc1cc(ccc1F)OC(C)CO 34a_100000751312_100012180447 [0,2,0,0,0,0|2,0,0]=4 7349 B13R1.2879 Cc1cc(ccc1F)OC(C)CO 7a_100000751312_100012180447 [0,2,0,0,0,0|2,0,0]=4 7350 B13R1.2879 Cc1cc(ccc1F)SC(C)CO 62a_100012180447_100011218330 [0,2,0,0,0,0|2,0,0]=4 7351 B13R1.2879 Cc1cc(ccc1F)S[C@H](C)CO 62a_100011218330_100016084084 [0,2,0,0,0,0|2,0,0]=4 7352 B13R1.2879 Cc1cc(ccc1F)S[C@H](C)CO 62a_100016084084_100011218330 [0,2,0,0,0,0|2,0,0]=4 7353 B13R1.2879 Cc1cc(ccc1I)NC(C)CO 34a_100000198070_100012180447 [0,2,0,0,0,0|2,0,0]=4 7354 B13R1.2879 Cc1cc(ccc1I)NC(C)CO 7a_100000198070_100012180447 [0,2,0,0,0,0|2,0,0]=4 7355 B13R1.2879 Cc1cc(ccc1I)OC(C)CO 34a_100000729255_100012180447 [0,2,0,0,0,0|2,0,0]=4 7356 B13R1.2879 Cc1cc(ccc1I)OC(C)CO 7a_100000729255_100012180447 [0,2,0,0,0,0|2,0,0]=4 7357 B13R1.2879 Cc1cc(ccc1N)OC(C)CO 34a_100000756630_100012180447 [0,2,0,0,0,0|2,0,0]=4 7358 B13R1.2879 Cc1cc(ccc1N)OC(C)CO 7a_100000756630_100012180447 [0,2,0,0,0,0|2,0,0]=4 7359 B13R1.2879 Cc1cc(ccc1N)SC(C)CO 62a_100012180447_100000211769 [0,2,0,0,0,0|2,0,0]=4 7360 B13R1.2879 Cc1cc(ccc1N)S[C@H](C)CO 62a_100000211769_100016084084 [0,2,0,0,0,0|2,0,0]=4 7361 B13R1.2879 Cc1cc(ccc1N)S[C@H](C)CO 62a_100016084084_100000211769 [0,2,0,0,0,0|2,0,0]=4 7362 B13R1.2879 Cc1cc(ccc1O)NC(C)CO 34a_100011218179_100012180447 [0,2,0,0,0,0|2,0,0]=4 7363 B13R1.2879 Cc1cc(ccc1O)NC(C)CO 7a_100011218179_100012180447 [0,2,0,0,0,0|2,0,0]=4 7364 B13R1.2879 Cc1cc(ccc1O)SC(C)CO 62a_100012180447_100000186361 [0,2,0,0,0,0|2,0,0]=4 7365 B13R1.2879 Cc1cc(ccc1O)S[C@H](C)CO 62a_100016084084_100000186361 [0,2,0,0,0,0|2,0,0]=4 7366 B13R1.2879 Cc1ccc(cc1Br)CC(=O)CO 1458a_100000210174_100012232412 [0,2,0,0,0,0|1,0,1]=4 7367 B13R1.2879 Cc1ccc(cc1Br)NC(C)CO 2230a_100000736455_100012180447 [0,2,0,0,0,0|2,0,0]=4 7368 B13R1.2879 Cc1ccc(cc1Br)NC(C)CO 34a_100000736455_100012180447 [0,2,0,0,0,0|2,0,0]=4 7369 B13R1.2879 Cc1ccc(cc1Br)NC(C)CO 7a_100000736455_100012180447 [0,2,0,0,0,0|2,0,0]=4 7370 B13R1.2879 Cc1ccc(cc1Br)OC(C)CO 34a_100011380479_100012180447 [0,2,0,0,0,0|2,0,0]=4 7371 B13R1.2879 Cc1ccc(cc1Br)OC(C)CO 7a_100011380479_100012180447 [0,2,0,0,0,0|2,0,0]=4 7372 B13R1.2879 Cc1ccc(cc1Br)SC(C)CO 62a_100012180447_100011847877 [0,2,0,0,0,0|2,0,0]=4 7373 B13R1.2879 Cc1ccc(cc1Br)S[C@H](C)CO 62a_100011847877_100016084084 [0,2,0,0,0,0|2,0,0]=4 7374 B13R1.2879 Cc1ccc(cc1Br)S[C@H](C)CO 62a_100016084084_100011847877 [0,2,0,0,0,0|2,0,0]=4 7375 B13R1.2879 Cc1ccc(cc1C)CC(=O)CO 1458a_100000210174_100000742320 [0,2,0,0,0,0|1,0,1]=4 7376 B13R1.2879 Cc1ccc(cc1C)NC(C)CO 2230a_100000724040_100012180447 [0,2,0,0,0,0|2,0,0]=4 7377 B13R1.2879 Cc1ccc(cc1C)NC(C)CO 34a_100000724040_100012180447 [0,2,0,0,0,0|2,0,0]=4 7378 B13R1.2879 Cc1ccc(cc1C)NC(C)CO 7a_100000724040_100012180447 [0,2,0,0,0,0|2,0,0]=4 7379 B13R1.2879 Cc1ccc(cc1C)OC(C)CO 34a_100000210932_100012180447 [0,2,0,0,0,0|2,0,0]=4 7380 B13R1.2879 Cc1ccc(cc1C)OC(C)CO 7a_100000210932_100012180447 [0,2,0,0,0,0|2,0,0]=4 7381 B13R1.2879 Cc1ccc(cc1C)SC(C)CO 62a_100012180447_100011215607 [0,2,0,0,0,0|2,0,0]=4 7382 B13R1.2879 Cc1ccc(cc1C)S[C@H](C)CO 62a_100011215607_100016084084 [0,2,0,0,0,0|2,0,0]=4 7383 B13R1.2879 Cc1ccc(cc1C)S[C@H](C)CO 62a_100016084084_100011215607 [0,2,0,0,0,0|2,0,0]=4 7384 B13R1.2879 Cc1ccc(cc1Cl)CC(=O)CO 1458a_100000210174_100011823929 [0,2,0,0,0,0|1,0,1]=4 7385 B13R1.2879 Cc1ccc(cc1Cl)NC(C)CO 2230a_100000188892_100012180447 [0,2,0,0,0,0|2,0,0]=4 7386 B13R1.2879 Cc1ccc(cc1Cl)NC(C)CO 34a_100000188892_100012180447 [0,2,0,0,0,0|2,0,0]=4 7387 B13R1.2879 Cc1ccc(cc1Cl)NC(C)CO 7a_100000188892_100012180447 [0,2,0,0,0,0|2,0,0]=4 7388 B13R1.2879 Cc1ccc(cc1Cl)OC(C)CO 34a_100011265682_100012180447 [0,2,0,0,0,0|2,0,0]=4 7389 B13R1.2879 Cc1ccc(cc1Cl)OC(C)CO 7a_100011265682_100012180447 [0,2,0,0,0,0|2,0,0]=4 7390 B13R1.2879 Cc1ccc(cc1Cl)SC(C)CO 62a_100012180447_100011216363 [0,2,0,0,0,0|2,0,0]=4 7391 B13R1.2879 Cc1ccc(cc1Cl)S[C@H](C)CO 62a_100011216363_100016084084 [0,2,0,0,0,0|2,0,0]=4 7392 B13R1.2879 Cc1ccc(cc1Cl)S[C@H](C)CO 62a_100016084084_100011216363 [0,2,0,0,0,0|2,0,0]=4 7393 B13R1.2879 Cc1ccc(cc1F)CC(=O)CO 1458a_100000210174_100011217369 [0,2,0,0,0,0|1,0,1]=4 7394 B13R1.2879 Cc1ccc(cc1F)NC(C)CO 2230a_100000210958_100012180447 [0,2,0,0,0,0|2,0,0]=4 7395 B13R1.2879 Cc1ccc(cc1F)NC(C)CO 34a_100000210958_100012180447 [0,2,0,0,0,0|2,0,0]=4 7396 B13R1.2879 Cc1ccc(cc1F)NC(C)CO 7a_100000210958_100012180447 [0,2,0,0,0,0|2,0,0]=4 7397 B13R1.2879 Cc1ccc(cc1F)OC(C)CO 34a_100000722560_100012180447 [0,2,0,0,0,0|2,0,0]=4 7398 B13R1.2879 Cc1ccc(cc1F)OC(C)CO 7a_100000722560_100012180447 [0,2,0,0,0,0|2,0,0]=4 7399 B13R1.2879 Cc1ccc(cc1F)SC(C)CO 62a_100012180447_100000720648 [0,2,0,0,0,0|2,0,0]=4 7400 B13R1.2879 Cc1ccc(cc1F)S[C@H](C)CO 62a_100000720648_100016084084 [0,2,0,0,0,0|2,0,0]=4 7401 B13R1.2879 Cc1ccc(cc1F)S[C@H](C)CO 62a_100016084084_100000720648 [0,2,0,0,0,0|2,0,0]=4 7402 B13R1.2879 Cc1ccc(cc1I)CC(=O)CO 1458a_100000210174_100010206137 [0,2,0,0,0,0|1,0,1]=4 7403 B13R1.2879 Cc1ccc(cc1I)NC(C)CO 34a_100000184131_100012180447 [0,2,0,0,0,0|2,0,0]=4 7404 B13R1.2879 Cc1ccc(cc1I)NC(C)CO 7a_100000184131_100012180447 [0,2,0,0,0,0|2,0,0]=4 7405 B13R1.2879 Cc1ccc(cc1N)OC(C)CO 34a_100011216113_100012180447 [0,2,0,0,0,0|2,0,0]=4 7406 B13R1.2879 Cc1ccc(cc1N)OC(C)CO 7a_100011216113_100012180447 [0,2,0,0,0,0|2,0,0]=4 7407 B13R1.2879 Cc1ccc(cc1N)SC(C)CO 62a_100012180447_100000761890 [0,2,0,0,0,0|2,0,0]=4 7408 B13R1.2879 Cc1ccc(cc1N)S[C@H](C)CO 62a_100000761890_100016084084 [0,2,0,0,0,0|2,0,0]=4 7409 B13R1.2879 Cc1ccc(cc1N)S[C@H](C)CO 62a_100016084084_100000761890 [0,2,0,0,0,0|2,0,0]=4 7410 B13R1.2879 Cc1ccc(cc1O)NC(C)CO 34a_100000759471_100012180447 [0,2,0,0,0,0|2,0,0]=4 7411 B13R1.2879 Cc1ccc(cc1O)NC(C)CO 7a_100000759471_100012180447 [0,2,0,0,0,0|2,0,0]=4 7412 B13R1.2879 Cc1ccc(cc1O)SC(C)CO 62a_100012180447_100000685420 [0,2,0,0,0,0|2,0,0]=4 7413 B13R1.2879 Cc1ccc(cc1O)S[C@H](C)CO 62a_100000685420_100016084084 [0,2,0,0,0,0|2,0,0]=4 7414 B13R1.2879 Cc1ccc(cc1O)S[C@H](C)CO 62a_100016084084_100000685420 [0,2,0,0,0,0|2,0,0]=4 7415 B13R1.2879 O=C(CO)Cc1ccc(c(c1)Br)Br 1458a_100000210174_100012353900 [0,2,0,0,0,0|1,0,1]=4 7416 B13R1.2879 O=C(CO)Cc1ccc(c(c1)Br)Cl 1458a_100000210174_100012353894 [0,2,0,0,0,0|1,0,1]=4 7417 B13R1.2879 O=C(CO)Cc1ccc(c(c1)Br)F 1458a_100000210174_100011206884 [0,2,0,0,0,0|1,0,1]=4 7418 B13R1.2879 O=C(CO)Cc1ccc(c(c1)Cl)Br 1458a_100000210174_100012353895 [0,2,0,0,0,0|1,0,1]=4 7419 B13R1.2879 O=C(CO)Cc1ccc(c(c1)Cl)Cl 1458a_100000210174_100000184707 [0,2,0,0,0,0|1,0,1]=4 7420 B13R1.2879 O=C(CO)Cc1ccc(c(c1)Cl)F 1458a_100000210174_100000717365 [0,2,0,0,0,0|1,0,1]=4 7421 B13R1.2879 O=C(CO)Cc1ccc(c(c1)Cl)I 1458a_100000210174_100012349665 [0,2,0,0,0,0|1,0,1]=4 7422 B13R1.2879 O=C(CO)Cc1ccc(c(c1)F)Br 1458a_100000210174_100000767054 [0,2,0,0,0,0|1,0,1]=4 7423 B13R1.2879 O=C(CO)Cc1ccc(c(c1)F)Cl 1458a_100000210174_100000716492 [0,2,0,0,0,0|1,0,1]=4 7424 B13R1.2879 O=C(CO)Cc1ccc(c(c1)F)F 1458a_100000210174_100000757363 [0,2,0,0,0,0|1,0,1]=4 7425 B13R1.2879 O=C(CO)Cc1ccc(c(c1)F)I 1458a_100000210174_100010149604 [0,2,0,0,0,0|1,0,1]=4 7426 B13R1.2879 O=C(CO)Cc1ccc(c(c1)I)Br 1458a_100000210174_100010146616 [0,2,0,0,0,0|1,0,1]=4 7427 B13R1.2879 O=C(CO)Cc1ccc(c(c1)I)F 1458a_100000210174_100010188208 [0,2,0,0,0,0|1,0,1]=4 7428 B13R1.40 CC(CO)Nc1cccc(c1Br)Cl 34a_100000687072_100012180447 [0,2,0,0,0,0|2,0,0]=4 7429 B13R1.40 CC(CO)Nc1cccc(c1Br)F 34a_100011934729_100012180447 [0,2,0,0,0,0|2,0,0]=4 7430 B13R1.40 CC(CO)Nc1cccc(c1Br)O 34a_100012183704_100012180447 [0,2,0,0,0,0|2,0,0]=4 7431 B13R1.40 CC(CO)Nc1cccc(c1Br)O 7a_100012183704_100012180447 [0,2,0,0,0,0|2,0,0]=4 7432 B13R1.40 CC(CO)Nc1cccc(c1Cl)Br 34a_100000687075_100012180447 [0,2,0,0,0,0|2,0,0]=4 7433 B13R1.40 CC(CO)Nc1cccc(c1Cl)Cl 34a_100000185733_100012180447 [0,2,0,0,0,0|2,0,0]=4 7434 B13R1.40 CC(CO)Nc1cccc(c1Cl)F 34a_100000692321_100012180447 [0,2,0,0,0,0|2,0,0]=4 7435 B13R1.40 CC(CO)Nc1cccc(c1Cl)O 34a_100012002038_100012180447 [0,2,0,0,0,0|2,0,0]=4 7436 B13R1.40 CC(CO)Nc1cccc(c1Cl)O 7a_100012002038_100012180447 [0,2,0,0,0,0|2,0,0]=4 7437 B13R1.40 CC(CO)Nc1cccc(c1F)Br 2230a_100011935091_100012180447 [0,2,0,0,0,0|2,0,0]=4 7438 B13R1.40 CC(CO)Nc1cccc(c1F)Br 34a_100011935091_100012180447 [0,2,0,0,0,0|2,0,0]=4 7439 B13R1.40 CC(CO)Nc1cccc(c1F)Cl 2230a_100000199060_100012180447 [0,2,0,0,0,0|2,0,0]=4 7440 B13R1.40 CC(CO)Nc1cccc(c1F)Cl 34a_100000199060_100012180447 [0,2,0,0,0,0|2,0,0]=4 7441 B13R1.40 CC(CO)Nc1cccc(c1F)F 34a_100000743855_100012180447 [0,2,0,0,0,0|2,0,0]=4 7442 B13R1.40 CC(CO)Nc1cccc(c1I)Br 34a_100020590159_100012180447 [0,2,0,0,0,0|2,0,0]=4 7443 B13R1.40 CC(CO)Nc1cccc(c1I)Cl 34a_100000049713_100012180447 [0,2,0,0,0,0|2,0,0]=4 7444 B13R1.40 CC(CO)Nc1cccc(c1I)F 34a_100000690935_100012180447 [0,2,0,0,0,0|2,0,0]=4 7445 B13R1.40 CC(CO)Nc1cccc(c1O)Br 34a_100011934915_100012180447 [0,2,0,0,0,0|2,0,0]=4 7446 B13R1.40 CC(CO)Nc1cccc(c1O)Cl 34a_100000754742_100012180447 [0,2,0,0,0,0|2,0,0]=4 7447 B13R1.40 CC(CO)Nc1cccc(c1O)F 34a_100011934987_100012180447 [0,2,0,0,0,0|2,0,0]=4 7448 B13R1.40 CC(CO)Oc1cccc(c1Br)Br 34a_100010187966_100012180447 [0,2,0,0,0,0|2,0,0]=4 7449 B13R1.40 CC(CO)Oc1cccc(c1Br)Br 7a_100010187966_100012180447 [0,2,0,0,0,0|2,0,0]=4 7450 B13R1.40 CC(CO)Oc1cccc(c1Br)Cl 34a_100012348804_100012180447 [0,2,0,0,0,0|2,0,0]=4 7451 B13R1.40 CC(CO)Oc1cccc(c1Br)Cl 7a_100012348804_100012180447 [0,2,0,0,0,0|2,0,0]=4 7452 B13R1.40 CC(CO)Oc1cccc(c1Br)F 34a_100009820682_100012180447 [0,2,0,0,0,0|2,0,0]=4 7453 B13R1.40 CC(CO)Oc1cccc(c1Br)F 7a_100009820682_100012180447 [0,2,0,0,0,0|2,0,0]=4 7454 B13R1.40 CC(CO)Oc1cccc(c1Br)I 34a_100010187914_100012180447 [0,2,0,0,0,0|2,0,0]=4 7455 B13R1.40 CC(CO)Oc1cccc(c1Br)I 7a_100010187914_100012180447 [0,2,0,0,0,0|2,0,0]=4 7456 B13R1.40 CC(CO)Oc1cccc(c1Br)N 34a_100012183704_100012180447 [0,2,0,0,0,0|2,0,0]=4 7457 B13R1.40 CC(CO)Oc1cccc(c1Br)N 7a_100012183704_100012180447 [0,2,0,0,0,0|2,0,0]=4 7458 B13R1.40 CC(CO)Oc1cccc(c1Cl)Br 34a_100010187913_100012180447 [0,2,0,0,0,0|2,0,0]=4 7459 B13R1.40 CC(CO)Oc1cccc(c1Cl)Br 7a_100010187913_100012180447 [0,2,0,0,0,0|2,0,0]=4 7460 B13R1.40 CC(CO)Oc1cccc(c1Cl)Cl 34a_100000211076_100012180447 [0,2,0,0,0,0|2,0,0]=4 7461 B13R1.40 CC(CO)Oc1cccc(c1Cl)Cl 7a_100000211076_100012180447 [0,2,0,0,0,0|2,0,0]=4 7462 B13R1.40 CC(CO)Oc1cccc(c1Cl)F 34a_100000087408_100012180447 [0,2,0,0,0,0|2,0,0]=4 7463 B13R1.40 CC(CO)Oc1cccc(c1Cl)F 7a_100000087408_100012180447 [0,2,0,0,0,0|2,0,0]=4 7464 B13R1.40 CC(CO)Oc1cccc(c1Cl)I 34a_100000049636_100012180447 [0,2,0,0,0,0|2,0,0]=4 7465 B13R1.40 CC(CO)Oc1cccc(c1Cl)I 7a_100000049636_100012180447 [0,2,0,0,0,0|2,0,0]=4 7466 B13R1.40 CC(CO)Oc1cccc(c1Cl)N 34a_100012002038_100012180447 [0,2,0,0,0,0|2,0,0]=4 7467 B13R1.40 CC(CO)Oc1cccc(c1Cl)N 7a_100012002038_100012180447 [0,2,0,0,0,0|2,0,0]=4 7468 B13R1.40 CC(CO)Oc1cccc(c1F)Br 34a_100009817021_100012180447 [0,2,0,0,0,0|2,0,0]=4 7469 B13R1.40 CC(CO)Oc1cccc(c1F)Br 7a_100009817021_100012180447 [0,2,0,0,0,0|2,0,0]=4 7470 B13R1.40 CC(CO)Oc1cccc(c1F)Cl 34a_100000687438_100012180447 [0,2,0,0,0,0|2,0,0]=4 7471 B13R1.40 CC(CO)Oc1cccc(c1F)Cl 7a_100000687438_100012180447 [0,2,0,0,0,0|2,0,0]=4 7472 B13R1.40 CC(CO)Oc1cccc(c1F)F 34a_100000751161_100012180447 [0,2,0,0,0,0|2,0,0]=4 7473 B13R1.40 CC(CO)Oc1cccc(c1F)F 7a_100000751161_100012180447 [0,2,0,0,0,0|2,0,0]=4 7474 B13R1.40 CC(CO)Oc1cccc(c1I)Br 34a_100010187912_100012180447 [0,2,0,0,0,0|2,0,0]=4 7475 B13R1.40 CC(CO)Oc1cccc(c1I)Br 7a_100010187912_100012180447 [0,2,0,0,0,0|2,0,0]=4 7476 B13R1.40 CC(CO)Oc1cccc(c1I)Cl 34a_100000050174_100012180447 [0,2,0,0,0,0|2,0,0]=4 7477 B13R1.40 CC(CO)Oc1cccc(c1I)Cl 7a_100000050174_100012180447 [0,2,0,0,0,0|2,0,0]=4 7478 B13R1.40 CC(CO)Oc1cccc(c1I)F 34a_100000690913_100012180447 [0,2,0,0,0,0|2,0,0]=4 7479 B13R1.40 CC(CO)Oc1cccc(c1I)F 7a_100000690913_100012180447 [0,2,0,0,0,0|2,0,0]=4 7480 B13R1.40 CC(CO)Oc1cccc(c1N)Br 34a_100011934926_100012180447 [0,2,0,0,0,0|2,0,0]=4 7481 B13R1.40 CC(CO)Oc1cccc(c1N)Br 7a_100011934926_100012180447 [0,2,0,0,0,0|2,0,0]=4 7482 B13R1.40 CC(CO)Oc1cccc(c1N)Cl 34a_100012022510_100012180447 [0,2,0,0,0,0|2,0,0]=4 7483 B13R1.40 CC(CO)Oc1cccc(c1N)Cl 7a_100012022510_100012180447 [0,2,0,0,0,0|2,0,0]=4 7484 B13R1.40 CC(CO)Oc1cccc(c1N)F 34a_100020591140_100012180447 [0,2,0,0,0,0|2,0,0]=4 7485 B13R1.40 CC(CO)Oc1cccc(c1N)F 7a_100020591140_100012180447 [0,2,0,0,0,0|2,0,0]=4 7486 B13R1.40 CC(CO)Oc1cccc(c1N)I 34a_200000049512_100012180447 [0,2,0,0,0,0|2,0,0]=4 7487 B13R1.40 CC(CO)Oc1cccc(c1N)I 7a_200000049512_100012180447 [0,2,0,0,0,0|2,0,0]=4 7488 B13R1.40 CC(CO)Oc1cccc(c1N)N 34a_100000033209_100012180447 [0,2,0,0,0,0|2,0,0]=4 7489 B13R1.40 CC(CO)Sc1cccc(c1Br)Br 62a_100012180447_100010175083 [0,2,0,0,0,0|2,0,0]=4 7490 B13R1.40 CC(CO)Sc1cccc(c1Br)Cl 62a_100012180447_100014021842 [0,2,0,0,0,0|2,0,0]=4 7491 B13R1.40 CC(CO)Sc1cccc(c1Br)F 62a_100012180447_100010202630 [0,2,0,0,0,0|2,0,0]=4 7492 B13R1.40 CC(CO)Sc1cccc(c1Br)O 62a_100012180447_100010187914 [0,2,0,0,0,0|2,0,0]=4 7493 B13R1.40 CC(CO)Sc1cccc(c1Cl)Br 62a_100012180447_100010142854 [0,2,0,0,0,0|2,0,0]=4 7494 B13R1.40 CC(CO)Sc1cccc(c1Cl)Cl 62a_100012180447_100011215384 [0,2,0,0,0,0|2,0,0]=4 7495 B13R1.40 CC(CO)Sc1cccc(c1Cl)F 62a_100012180447_200010234923 [0,2,0,0,0,0|2,0,0]=4 7496 B13R1.40 CC(CO)Sc1cccc(c1Cl)O 62a_100012180447_100000049636 [0,2,0,0,0,0|2,0,0]=4 7497 B13R1.40 CC(CO)Sc1cccc(c1F)Br 62a_100012180447_100000702267 [0,2,0,0,0,0|2,0,0]=4 7498 B13R1.40 CC(CO)Sc1cccc(c1F)Cl 62a_100012180447_100011217346 [0,2,0,0,0,0|2,0,0]=4 7499 B13R1.40 CC(CO)Sc1cccc(c1F)F 62a_100012180447_100000694657 [0,2,0,0,0,0|2,0,0]=4 7500 B13R1.40 CC(CO)Sc1cccc(c1F)N 62a_100012180447_100011935091 [0,2,0,0,0,0|2,0,0]=4 7501 B13R1.40 CC(CO)Sc1cccc(c1F)O 62a_100012180447_100009817021 [0,2,0,0,0,0|2,0,0]=4 7502 B13R1.40 CC(CO)Sc1cccc(c1N)Br 62a_100012180447_100010146558 [0,2,0,0,0,0|2,0,0]=4 7503 B13R1.40 CC(CO)Sc1cccc(c1N)Cl 62a_100012180447_100010190421 [0,2,0,0,0,0|2,0,0]=4 7504 B13R1.40 CC(CO)Sc1cccc(c1N)F 62a_100012180447_100000042321 [0,2,0,0,0,0|2,0,0]=4 7505 B13R1.40 CC(CO)Sc1cccc(c1N)O 62a_100012180447_100011934926 [0,2,0,0,0,0|2,0,0]=4 7506 B13R1.40 CC(CO)Sc1cccc(c1O)Br 62a_100012180447_100010084509 [0,2,0,0,0,0|2,0,0]=4 7507 B13R1.40 CC(CO)Sc1cccc(c1O)Cl 62a_100012180447_100010202889 [0,2,0,0,0,0|2,0,0]=4 7508 B13R1.40 CC(CO)Sc1cccc(c1O)F 62a_100012180447_100009813666 [0,2,0,0,0,0|2,0,0]=4 7509 B13R1.40 CC(CO)Sc1cccc(c1O)N 62a_100012180447_100010084371 [0,2,0,0,0,0|2,0,0]=4 7510 B13R1.40 CC(CO)Sc1cccc(c1O)O 62a_100012180447_100009815950 [0,2,0,0,0,0|2,0,0]=4 7511 B13R1.40 C[C@H](CO)Sc1cccc(c1Br)Br 62a_100010175083_100016084084 [0,2,0,0,0,0|2,0,0]=4 7512 B13R1.40 C[C@H](CO)Sc1cccc(c1Br)Br 62a_100016084084_100010175083 [0,2,0,0,0,0|2,0,0]=4 7513 B13R1.40 C[C@H](CO)Sc1cccc(c1Br)Cl 62a_100014021842_100016084084 [0,2,0,0,0,0|2,0,0]=4 7514 B13R1.40 C[C@H](CO)Sc1cccc(c1Br)Cl 62a_100016084084_100014021842 [0,2,0,0,0,0|2,0,0]=4 7515 B13R1.40 C[C@H](CO)Sc1cccc(c1Br)F 62a_100010202630_100016084084 [0,2,0,0,0,0|2,0,0]=4 7516 B13R1.40 C[C@H](CO)Sc1cccc(c1Br)F 62a_100016084084_100010202630 [0,2,0,0,0,0|2,0,0]=4 7517 B13R1.40 C[C@H](CO)Sc1cccc(c1Br)O 62a_100010187914_100016084084 [0,2,0,0,0,0|2,0,0]=4 7518 B13R1.40 C[C@H](CO)Sc1cccc(c1Br)O 62a_100016084084_100010187914 [0,2,0,0,0,0|2,0,0]=4 7519 B13R1.40 C[C@H](CO)Sc1cccc(c1Cl)Br 62a_100010142854_100016084084 [0,2,0,0,0,0|2,0,0]=4 7520 B13R1.40 C[C@H](CO)Sc1cccc(c1Cl)Br 62a_100016084084_100010142854 [0,2,0,0,0,0|2,0,0]=4 7521 B13R1.40 C[C@H](CO)Sc1cccc(c1Cl)Cl 62a_100011215384_100016084084 [0,2,0,0,0,0|2,0,0]=4 7522 B13R1.40 C[C@H](CO)Sc1cccc(c1Cl)Cl 62a_100016084084_100011215384 [0,2,0,0,0,0|2,0,0]=4 7523 B13R1.40 C[C@H](CO)Sc1cccc(c1Cl)F 62a_100016084084_200010234923 [0,2,0,0,0,0|2,0,0]=4 7524 B13R1.40 C[C@H](CO)Sc1cccc(c1Cl)F 62a_200010234923_100016084084 [0,2,0,0,0,0|2,0,0]=4 7525 B13R1.40 C[C@H](CO)Sc1cccc(c1Cl)O 62a_100016084084_100000049636 [0,2,0,0,0,0|2,0,0]=4 7526 B13R1.40 C[C@H](CO)Sc1cccc(c1F)Br 62a_100000702267_100016084084 [0,2,0,0,0,0|2,0,0]=4 7527 B13R1.40 C[C@H](CO)Sc1cccc(c1F)Br 62a_100016084084_100000702267 [0,2,0,0,0,0|2,0,0]=4 7528 B13R1.40 C[C@H](CO)Sc1cccc(c1F)Cl 62a_100011217346_100016084084 [0,2,0,0,0,0|2,0,0]=4 7529 B13R1.40 C[C@H](CO)Sc1cccc(c1F)Cl 62a_100016084084_100011217346 [0,2,0,0,0,0|2,0,0]=4 7530 B13R1.40 C[C@H](CO)Sc1cccc(c1F)F 62a_100000694657_100016084084 [0,2,0,0,0,0|2,0,0]=4 7531 B13R1.40 C[C@H](CO)Sc1cccc(c1F)F 62a_100016084084_100000694657 [0,2,0,0,0,0|2,0,0]=4 7532 B13R1.40 C[C@H](CO)Sc1cccc(c1F)N 62a_100011935091_100016084084 [0,2,0,0,0,0|2,0,0]=4 7533 B13R1.40 C[C@H](CO)Sc1cccc(c1F)N 62a_100016084084_100011935091 [0,2,0,0,0,0|2,0,0]=4 7534 B13R1.40 C[C@H](CO)Sc1cccc(c1F)O 62a_100009817021_100016084084 [0,2,0,0,0,0|2,0,0]=4 7535 B13R1.40 C[C@H](CO)Sc1cccc(c1F)O 62a_100016084084_100009817021 [0,2,0,0,0,0|2,0,0]=4 7536 B13R1.40 C[C@H](CO)Sc1cccc(c1N)Br 62a_100010146558_100016084084 [0,2,0,0,0,0|2,0,0]=4 7537 B13R1.40 C[C@H](CO)Sc1cccc(c1N)Br 62a_100016084084_100010146558 [0,2,0,0,0,0|2,0,0]=4 7538 B13R1.40 C[C@H](CO)Sc1cccc(c1N)Cl 62a_100010190421_100016084084 [0,2,0,0,0,0|2,0,0]=4 7539 B13R1.40 C[C@H](CO)Sc1cccc(c1N)Cl 62a_100016084084_100010190421 [0,2,0,0,0,0|2,0,0]=4 7540 B13R1.40 C[C@H](CO)Sc1cccc(c1N)F 62a_100000042321_100016084084 [0,2,0,0,0,0|2,0,0]=4 7541 B13R1.40 C[C@H](CO)Sc1cccc(c1N)F 62a_100016084084_100000042321 [0,2,0,0,0,0|2,0,0]=4 7542 B13R1.40 C[C@H](CO)Sc1cccc(c1N)N 62a_100015191791_100016084084 [0,2,0,0,0,0|2,0,0]=4 7543 B13R1.40 C[C@H](CO)Sc1cccc(c1N)O 62a_100016084084_100011934926 [0,2,0,0,0,0|2,0,0]=4 7544 B13R1.40 C[C@H](CO)Sc1cccc(c1O)Br 62a_100010084509_100016084084 [0,2,0,0,0,0|2,0,0]=4 7545 B13R1.40 C[C@H](CO)Sc1cccc(c1O)Br 62a_100016084084_100010084509 [0,2,0,0,0,0|2,0,0]=4 7546 B13R1.40 C[C@H](CO)Sc1cccc(c1O)Cl 62a_100010202889_100016084084 [0,2,0,0,0,0|2,0,0]=4 7547 B13R1.40 C[C@H](CO)Sc1cccc(c1O)Cl 62a_100016084084_100010202889 [0,2,0,0,0,0|2,0,0]=4 7548 B13R1.40 C[C@H](CO)Sc1cccc(c1O)F 62a_100009813666_100016084084 [0,2,0,0,0,0|2,0,0]=4 7549 B13R1.40 C[C@H](CO)Sc1cccc(c1O)F 62a_100016084084_100009813666 [0,2,0,0,0,0|2,0,0]=4 7550 B13R1.40 C[C@H](CO)Sc1cccc(c1O)N 62a_100011934915_100016084084 [0,2,0,0,0,0|2,0,0]=4 7551 B13R1.40 C[C@H](CO)Sc1cccc(c1O)N 62a_100016084084_100010084371 [0,2,0,0,0,0|2,0,0]=4 7552 B13R1.40 C[C@H](CO)Sc1cccc(c1O)O 62a_100016084084_100009815950 [0,2,0,0,0,0|2,0,0]=4 7553 B13R1.40 Cc1c(cccc1CC(=O)CO)Br 1458a_100000210174_100000694682 [0,2,0,0,0,0|1,0,1]=4 7554 B13R1.40 Cc1c(cccc1CC(=O)CO)Cl 1458a_100000210174_100012186920 [0,2,0,0,0,0|1,0,1]=4 7555 B13R1.40 Cc1c(cccc1CC(=O)CO)F 1458a_100000210174_100009813626 [0,2,0,0,0,0|1,0,1]=4 7556 B13R1.40 Cc1c(cccc1CC(=O)CO)I 1458a_100000210174_100010150147 [0,2,0,0,0,0|1,0,1]=4 7557 B13R1.40 Cc1c(cccc1NC(C)CO)Br 34a_100000750434_100012180447 [0,2,0,0,0,0|2,0,0]=4 7558 B13R1.40 Cc1c(cccc1NC(C)CO)Cl 2230a_100000210441_100012180447 [0,2,0,0,0,0|2,0,0]=4 7559 B13R1.40 Cc1c(cccc1NC(C)CO)Cl 34a_100000210441_100012180447 [0,2,0,0,0,0|2,0,0]=4 7560 B13R1.40 Cc1c(cccc1NC(C)CO)Cl 7a_100000210441_100012180447 [0,2,0,0,0,0|2,0,0]=4 7561 B13R1.40 Cc1c(cccc1NC(C)CO)F 34a_100000745574_100012180447 [0,2,0,0,0,0|2,0,0]=4 7562 B13R1.40 Cc1c(cccc1NC(C)CO)F 7a_100000745574_100012180447 [0,2,0,0,0,0|2,0,0]=4 7563 B13R1.40 Cc1c(cccc1NC(C)CO)I 34a_100000761887_100012180447 [0,2,0,0,0,0|2,0,0]=4 7564 B13R1.40 Cc1c(cccc1NC(C)CO)O 34a_100011216573_100012180447 [0,2,0,0,0,0|2,0,0]=4 7565 B13R1.40 Cc1c(cccc1NC(C)CO)O 7a_100011216573_100012180447 [0,2,0,0,0,0|2,0,0]=4 7566 B13R1.40 Cc1c(cccc1OC(C)CO)Br 34a_100012002258_100012180447 [0,2,0,0,0,0|2,0,0]=4 7567 B13R1.40 Cc1c(cccc1OC(C)CO)Br 7a_100012002258_100012180447 [0,2,0,0,0,0|2,0,0]=4 7568 B13R1.40 Cc1c(cccc1OC(C)CO)Cl 34a_100011265684_100012180447 [0,2,0,0,0,0|2,0,0]=4 7569 B13R1.40 Cc1c(cccc1OC(C)CO)Cl 7a_100011265684_100012180447 [0,2,0,0,0,0|2,0,0]=4 7570 B13R1.40 Cc1c(cccc1OC(C)CO)F 34a_100011217231_100012180447 [0,2,0,0,0,0|2,0,0]=4 7571 B13R1.40 Cc1c(cccc1OC(C)CO)F 7a_100011217231_100012180447 [0,2,0,0,0,0|2,0,0]=4 7572 B13R1.40 Cc1c(cccc1OC(C)CO)N 34a_100011216573_100012180447 [0,2,0,0,0,0|2,0,0]=4 7573 B13R1.40 Cc1c(cccc1OC(C)CO)N 7a_100011216573_100012180447 [0,2,0,0,0,0|2,0,0]=4 7574 B13R1.40 Cc1c(cccc1SC(C)CO)Br 62a_100012180447_100012353703 [0,2,0,0,0,0|2,0,0]=4 7575 B13R1.40 Cc1c(cccc1SC(C)CO)Cl 62a_100012180447_100000726075 [0,2,0,0,0,0|2,0,0]=4 7576 B13R1.40 Cc1c(cccc1SC(C)CO)F 62a_100012180447_100011216893 [0,2,0,0,0,0|2,0,0]=4 7577 B13R1.40 Cc1c(cccc1SC(C)CO)N 62a_100012180447_100000761887 [0,2,0,0,0,0|2,0,0]=4 7578 B13R1.40 Cc1c(cccc1SC(C)CO)O 62a_100012180447_100012002258 [0,2,0,0,0,0|2,0,0]=4 7579 B13R1.40 Cc1c(cccc1S[C@H](C)CO)Br 62a_100012353703_100016084084 [0,2,0,0,0,0|2,0,0]=4 7580 B13R1.40 Cc1c(cccc1S[C@H](C)CO)Br 62a_100016084084_100012353703 [0,2,0,0,0,0|2,0,0]=4 7581 B13R1.40 Cc1c(cccc1S[C@H](C)CO)Cl 62a_100000726075_100016084084 [0,2,0,0,0,0|2,0,0]=4 7582 B13R1.40 Cc1c(cccc1S[C@H](C)CO)Cl 62a_100016084084_100000726075 [0,2,0,0,0,0|2,0,0]=4 7583 B13R1.40 Cc1c(cccc1S[C@H](C)CO)F 62a_100011216893_100016084084 [0,2,0,0,0,0|2,0,0]=4 7584 B13R1.40 Cc1c(cccc1S[C@H](C)CO)F 62a_100016084084_100011216893 [0,2,0,0,0,0|2,0,0]=4 7585 B13R1.40 Cc1c(cccc1S[C@H](C)CO)N 62a_100000761887_100016084084 [0,2,0,0,0,0|2,0,0]=4 7586 B13R1.40 Cc1c(cccc1S[C@H](C)CO)N 62a_100016084084_100000761887 [0,2,0,0,0,0|2,0,0]=4 7587 B13R1.40 Cc1c(cccc1S[C@H](C)CO)O 62a_100012002258_100016084084 [0,2,0,0,0,0|2,0,0]=4 7588 B13R1.40 Cc1c(cccc1S[C@H](C)CO)O 62a_100016084084_100012002258 [0,2,0,0,0,0|2,0,0]=4 7589 B13R1.40 Cc1cccc(c1Br)CC(=O)CO 1458a_100000210174_200012349612 [0,2,0,0,0,0|1,0,1]=4 7590 B13R1.40 Cc1cccc(c1Br)NC(C)CO 34a_100000684715_100012180447 [0,2,0,0,0,0|2,0,0]=4 7591 B13R1.40 Cc1cccc(c1Br)OC(C)CO 34a_100000686692_100012180447 [0,2,0,0,0,0|2,0,0]=4 7592 B13R1.40 Cc1cccc(c1Br)OC(C)CO 7a_100000686692_100012180447 [0,2,0,0,0,0|2,0,0]=4 7593 B13R1.40 Cc1cccc(c1Br)SC(C)CO 62a_100012180447_100012362457 [0,2,0,0,0,0|2,0,0]=4 7594 B13R1.40 Cc1cccc(c1Br)S[C@H](C)CO 62a_100012362457_100016084084 [0,2,0,0,0,0|2,0,0]=4 7595 B13R1.40 Cc1cccc(c1Br)S[C@H](C)CO 62a_100016084084_100012362457 [0,2,0,0,0,0|2,0,0]=4 7596 B13R1.40 Cc1cccc(c1C)CC(=O)CO 1458a_100000210174_100011515928 [0,2,0,0,0,0|1,0,1]=4 7597 B13R1.40 Cc1cccc(c1C)NC(C)CO 2230a_100000210026_100012180447 [0,2,0,0,0,0|2,0,0]=4 7598 B13R1.40 Cc1cccc(c1C)NC(C)CO 34a_100000210026_100012180447 [0,2,0,0,0,0|2,0,0]=4 7599 B13R1.40 Cc1cccc(c1C)NC(C)CO 7a_100000210026_100012180447 [0,2,0,0,0,0|2,0,0]=4 7600 B13R1.40 Cc1cccc(c1C)OC(C)CO 34a_100000185855_100012180447 [0,2,0,0,0,0|2,0,0]=4 7601 B13R1.40 Cc1cccc(c1C)OC(C)CO 7a_100000185855_100012180447 [0,2,0,0,0,0|2,0,0]=4 7602 B13R1.40 Cc1cccc(c1C)SC(C)CO 62a_100012180447_100011214922 [0,2,0,0,0,0|2,0,0]=4 7603 B13R1.40 Cc1cccc(c1C)S[C@H](C)CO 62a_100011214922_100016084084 [0,2,0,0,0,0|2,0,0]=4 7604 B13R1.40 Cc1cccc(c1C)S[C@H](C)CO 62a_100016084084_100011214922 [0,2,0,0,0,0|2,0,0]=4 7605 B13R1.40 Cc1cccc(c1Cl)NC(C)CO 34a_100000765562_100012180447 [0,2,0,0,0,0|2,0,0]=4 7606 B13R1.40 Cc1cccc(c1Cl)NC(C)CO 7a_100000765562_100012180447 [0,2,0,0,0,0|2,0,0]=4 7607 B13R1.40 Cc1cccc(c1Cl)OC(C)CO 34a_100000695629_100012180447 [0,2,0,0,0,0|2,0,0]=4 7608 B13R1.40 Cc1cccc(c1Cl)OC(C)CO 7a_100000695629_100012180447 [0,2,0,0,0,0|2,0,0]=4 7609 B13R1.40 Cc1cccc(c1Cl)SC(C)CO 62a_100012180447_200012352035 [0,2,0,0,0,0|2,0,0]=4 7610 B13R1.40 Cc1cccc(c1Cl)S[C@H](C)CO 62a_100016084084_200012352035 [0,2,0,0,0,0|2,0,0]=4 7611 B13R1.40 Cc1cccc(c1Cl)S[C@H](C)CO 62a_200012352035_100016084084 [0,2,0,0,0,0|2,0,0]=4 7612 B13R1.40 Cc1cccc(c1F)CC(=O)CO 1458a_100000210174_100011216058 [0,2,0,0,0,0|1,0,1]=4 7613 B13R1.40 Cc1cccc(c1F)NC(C)CO 2230a_100000697159_100012180447 [0,2,0,0,0,0|2,0,0]=4 7614 B13R1.40 Cc1cccc(c1F)NC(C)CO 34a_100000697159_100012180447 [0,2,0,0,0,0|2,0,0]=4 7615 B13R1.40 Cc1cccc(c1F)NC(C)CO 7a_100000697159_100012180447 [0,2,0,0,0,0|2,0,0]=4 7616 B13R1.40 Cc1cccc(c1F)OC(C)CO 34a_100000751311_100012180447 [0,2,0,0,0,0|2,0,0]=4 7617 B13R1.40 Cc1cccc(c1F)OC(C)CO 7a_100000751311_100012180447 [0,2,0,0,0,0|2,0,0]=4 7618 B13R1.40 Cc1cccc(c1F)SC(C)CO 62a_100012180447_100000717567 [0,2,0,0,0,0|2,0,0]=4 7619 B13R1.40 Cc1cccc(c1F)S[C@H](C)CO 62a_100000717567_100016084084 [0,2,0,0,0,0|2,0,0]=4 7620 B13R1.40 Cc1cccc(c1F)S[C@H](C)CO 62a_100016084084_100000717567 [0,2,0,0,0,0|2,0,0]=4 7621 B13R1.40 Cc1cccc(c1I)NC(C)CO 34a_100000761888_100012180447 [0,2,0,0,0,0|2,0,0]=4 7622 B13R1.40 Cc1cccc(c1I)OC(C)CO 34a_100010083724_100012180447 [0,2,0,0,0,0|2,0,0]=4 7623 B13R1.40 Cc1cccc(c1I)OC(C)CO 7a_100010083724_100012180447 [0,2,0,0,0,0|2,0,0]=4 7624 B13R1.40 Cc1cccc(c1N)OC(C)CO 34a_100000743429_100012180447 [0,2,0,0,0,0|2,0,0]=4 7625 B13R1.40 Cc1cccc(c1N)OC(C)CO 7a_100000743429_100012180447 [0,2,0,0,0,0|2,0,0]=4 7626 B13R1.40 Cc1cccc(c1N)SC(C)CO 62a_100012180447_100011834072 [0,2,0,0,0,0|2,0,0]=4 7627 B13R1.40 Cc1cccc(c1N)S[C@H](C)CO 62a_100011834072_100016084084 [0,2,0,0,0,0|2,0,0]=4 7628 B13R1.40 Cc1cccc(c1N)S[C@H](C)CO 62a_100016084084_100011834072 [0,2,0,0,0,0|2,0,0]=4 7629 B13R1.40 Cc1cccc(c1O)NC(C)CO 34a_100000756359_100012180447 [0,2,0,0,0,0|2,0,0]=4 7630 B13R1.40 Cc1cccc(c1O)SC(C)CO 62a_100012180447_100009817157 [0,2,0,0,0,0|2,0,0]=4 7631 B13R1.40 Cc1cccc(c1O)S[C@H](C)CO 62a_100009817157_100016084084 [0,2,0,0,0,0|2,0,0]=4 7632 B13R1.40 Cc1cccc(c1O)S[C@H](C)CO 62a_100016084084_100009817157 [0,2,0,0,0,0|2,0,0]=4 7633 B13R1.40 O=C(CO)Cc1cccc(c1Br)Cl 1458a_100000210174_100010145525 [0,2,0,0,0,0|1,0,1]=4 7634 B13R1.40 O=C(CO)Cc1cccc(c1Br)F 1458a_100000210174_100012351116 [0,2,0,0,0,0|1,0,1]=4 7635 B13R1.40 O=C(CO)Cc1cccc(c1Br)I 1458a_100000210174_100010254545 [0,2,0,0,0,0|1,0,1]=4 7636 B13R1.40 O=C(CO)Cc1cccc(c1Cl)Br 1458a_100000210174_100012349491 [0,2,0,0,0,0|1,0,1]=4 7637 B13R1.40 O=C(CO)Cc1cccc(c1Cl)Cl 1458a_100000210174_100000720918 [0,2,0,0,0,0|1,0,1]=4 7638 B13R1.40 O=C(CO)Cc1cccc(c1Cl)F 1458a_100000210174_100000696688 [0,2,0,0,0,0|1,0,1]=4 7639 B13R1.40 O=C(CO)Cc1cccc(c1F)Br 1458a_100000210174_100012356507 [0,2,0,0,0,0|1,0,1]=4 7640 B13R1.40 O=C(CO)Cc1cccc(c1F)Cl 1458a_100000210174_100000716733 [0,2,0,0,0,0|1,0,1]=4 7641 B13R1.40 O=C(CO)Cc1cccc(c1F)F 1458a_100000210174_100000217499 [0,2,0,0,0,0|1,0,1]=4 7642 B13R1.40 O=C(CO)Cc1cccc(c1I)F 1458a_100000210174_100010149603 [0,2,0,0,0,0|1,0,1]=4 7643 B13R1.81 C#Cc1cccc(c1)NC(C)CO 2230a_100000735509_100012180447 [0,2,0,0,0,0|2,0,0]=4 7644 B13R1.81 C#Cc1cccc(c1)NC(C)CO 34a_100000735509_100012180447 [0,2,0,0,0,0|2,0,0]=4 7645 B13R1.81 C#Cc1cccc(c1)OC(C)CO 34a_100011216014_100012180447 [0,2,0,0,0,0|2,0,0]=4 7646 B13R1.81 C#Cc1cccc(c1)OC(C)CO 7a_100011216014_100012180447 [0,2,0,0,0,0|2,0,0]=4 7647 B13R1.81 C=Cc1cccc(c1)CC(N)CO 271570a_100011290941_114802770106 [0,2,0,0,0,0|0,0,0]=2 7648 B13R1.81 C=Cc1cccc(c1)NC(C)CO 34a_100011827668_100012180447 [0,2,0,0,0,0|2,0,0]=4 7649 B13R1.81 C=Cc1cccc(c1)OC(C)CO 34a_100011309434_100012180447 [0,2,0,0,0,0|2,0,0]=4 7650 B13R1.81 C=Cc1cccc(c1)OC(C)CO 7a_100011309434_100012180447 [0,2,0,0,0,0|2,0,0]=4 7651 B13R1.81 C=Cc1cccc(c1)SC(C)CO 62a_100012180447_100011215241 [0,2,0,0,0,0|2,0,0]=4 7652 B13R1.81 C=Cc1cccc(c1)S[C@H](C)CO 62a_100011215241_100016084084 [0,2,0,0,0,0|2,0,0]=4 7653 B13R1.81 C=Cc1cccc(c1)S[C@H](C)CO 62a_100016084084_100011215241 [0,2,0,0,0,0|2,0,0]=4 7654 B13R1.81 CC(CO)Nc1cccc(c1)C#N 34a_100000210922_100012180447 [0,2,0,0,0,0|2,0,0]=4 7655 B13R1.81 CC(CO)Nc1cccc(c1)C#N 7a_100000210922_100012180447 [0,2,0,0,0,0|2,0,0]=4 7656 B13R1.81 CC(CO)Nc1cccc(c1)CF 2230a_100000126320_100012180447 [0,2,0,0,0,0|2,0,0]=4 7657 B13R1.81 CC(CO)Nc1cccc(c1)CF 34a_100000126320_100012180447 [0,2,0,0,0,0|2,0,0]=4 7658 B13R1.81 CC(CO)Nc1cccc(c1)CF 7a_100000126320_100012180447 [0,2,0,0,0,0|2,0,0]=4 7659 B13R1.81 CC(CO)Nc1cccc(c1)CO 2230a_100000211919_100012180447 [0,2,0,0,0,0|2,0,0]=4 7660 B13R1.81 CC(CO)Nc1cccc(c1)CO 34a_100000211919_100012180447 [0,2,0,0,0,0|2,0,0]=4 7661 B13R1.81 CC(CO)Oc1cccc(c1)C#N 34a_100000184713_100012180447 [0,2,0,0,0,0|2,0,0]=4 7662 B13R1.81 CC(CO)Oc1cccc(c1)C#N 7a_100000184713_100012180447 [0,2,0,0,0,0|2,0,0]=4 7663 B13R1.81 CC(CO)Oc1cccc(c1)CBr 34a_100011660834_100012180447 [0,2,0,0,0,0|2,0,0]=4 7664 B13R1.81 CC(CO)Oc1cccc(c1)CBr 7a_100011660834_100012180447 [0,2,0,0,0,0|2,0,0]=4 7665 B13R1.81 CC(CO)Oc1cccc(c1)CCl 34a_100000084143_100012180447 [0,2,0,0,0,0|2,0,0]=4 7666 B13R1.81 CC(CO)Oc1cccc(c1)CCl 7a_100000084143_100012180447 [0,2,0,0,0,0|2,0,0]=4 7667 B13R1.81 CC(CO)Oc1cccc(c1)CN 34a_100000743036_100012180447 [0,2,0,0,0,0|2,0,0]=4 7668 B13R1.81 CC(CO)Oc1cccc(c1)CO 34a_100011214949_100012180447 [0,2,0,0,0,0|2,0,0]=4 7669 B13R1.81 CC(CO)Oc1cccc(c1)CO 7a_100011214949_100012180447 [0,2,0,0,0,0|2,0,0]=4 7670 B13R1.81 CC(CO)Sc1cccc(c1)C#N 62a_100012180447_100000189340 [0,2,0,0,0,0|2,0,0]=4 7671 B13R1.81 CC(CO)Sc1cccc(c1)C=O 62a_100012180447_100000014684 [0,2,0,0,0,0|2,0,0]=4 7672 B13R1.81 CC(CO)Sc1cccc(c1)CF 62a_100012180447_100010878472 [0,2,0,0,0,0|2,0,0]=4 7673 B13R1.81 CC(CO)Sc1cccc(c1)CN 62a_100012180447_100000106179 [0,2,0,0,0,0|2,0,0]=4 7674 B13R1.81 CC(CO)Sc1cccc(c1)CO 62a_100012180447_100000687537 [0,2,0,0,0,0|2,0,0]=4 7675 B13R1.81 CC(CO)Sc1cccc(c1)NN 62a_100012180447_100000217339 [0,2,0,0,0,0|2,0,0]=4 7676 B13R1.81 CCc1cccc(c1)NC(C)CO 2230a_100000211250_100012180447 [0,2,0,0,0,0|2,0,0]=4 7677 B13R1.81 CCc1cccc(c1)NC(C)CO 34a_100000211250_100012180447 [0,2,0,0,0,0|2,0,0]=4 7678 B13R1.81 CCc1cccc(c1)NC(C)CO 7a_100000211250_100012180447 [0,2,0,0,0,0|2,0,0]=4 7679 B13R1.81 CCc1cccc(c1)OC(C)CO 34a_100000211550_100012180447 [0,2,0,0,0,0|2,0,0]=4 7680 B13R1.81 CCc1cccc(c1)OC(C)CO 7a_100000211550_100012180447 [0,2,0,0,0,0|2,0,0]=4 7681 B13R1.81 CCc1cccc(c1)SC(C)CO 62a_100012180447_100011263222 [0,2,0,0,0,0|2,0,0]=4 7682 B13R1.81 CCc1cccc(c1)S[C@H](C)CO 62a_100011263222_100016084084 [0,2,0,0,0,0|2,0,0]=4 7683 B13R1.81 CCc1cccc(c1)S[C@H](C)CO 62a_100016084084_100011263222 [0,2,0,0,0,0|2,0,0]=4 7684 B13R1.81 CNc1cccc(c1)OC(C)CO 34a_100000756613_100012180447 [0,2,0,0,0,0|2,0,0]=4 7685 B13R1.81 CNc1cccc(c1)OC(C)CO 7a_100000756613_100012180447 [0,2,0,0,0,0|2,0,0]=4 7686 B13R1.81 CNc1cccc(c1)SC(C)CO 62a_100012180447_100000219648 [0,2,0,0,0,0|2,0,0]=4 7687 B13R1.81 CNc1cccc(c1)S[C@H](C)CO 62a_100000219648_100016084084 [0,2,0,0,0,0|2,0,0]=4 7688 B13R1.81 CNc1cccc(c1)S[C@H](C)CO 62a_100016084084_100000219648 [0,2,0,0,0,0|2,0,0]=4 7689 B13R1.81 COc1cccc(c1)CC(=O)CO 1458a_100000210174_100000211672 [0,2,0,0,0,0|1,0,1]=4 7690 B13R1.81 COc1cccc(c1)NC(C)CO 34a_100000210024_100012180447 [0,2,0,0,0,0|2,0,0]=4 7691 B13R1.81 COc1cccc(c1)OC(C)CO 34a_100000211255_100012180447 [0,2,0,0,0,0|2,0,0]=4 7692 B13R1.81 COc1cccc(c1)OC(C)CO 7a_100000211255_100012180447 [0,2,0,0,0,0|2,0,0]=4 7693 B13R1.81 COc1cccc(c1)SC(C)CO 62a_100012180447_100000170001 [0,2,0,0,0,0|2,0,0]=4 7694 B13R1.81 COc1cccc(c1)S[C@H](C)CO 62a_100016084084_100000170001 [0,2,0,0,0,0|2,0,0]=4 7695 B13R1.81 CSc1cccc(c1)CC(N)CO 62a_114802770106_200000210301 [0,2,0,0,0,0|0,0,0]=2 7696 B13R1.81 CSc1cccc(c1)CC(N)CO 62a_200000210301_114802770106 [0,2,0,0,0,0|0,0,0]=2 7697 B13R1.81 CSc1cccc(c1)NC(C)CO 2230a_100000210049_100012180447 [0,2,0,0,0,0|2,0,0]=4 7698 B13R1.81 CSc1cccc(c1)NC(C)CO 34a_100000210049_100012180447 [0,2,0,0,0,0|2,0,0]=4 7699 B13R1.81 CSc1cccc(c1)OC(C)CO 34a_100011265683_100012180447 [0,2,0,0,0,0|2,0,0]=4 7700 B13R1.81 CSc1cccc(c1)OC(C)CO 7a_100011265683_100012180447 [0,2,0,0,0,0|2,0,0]=4 7701 B13R1.81 CSc1cccc(c1)SC(C)CO 62a_100012180447_100011215954 [0,2,0,0,0,0|2,0,0]=4 7702 B13R1.81 CSc1cccc(c1)S[C@H](C)CO 62a_100011215954_100016084084 [0,2,0,0,0,0|2,0,0]=4 7703 B13R1.81 CSc1cccc(c1)S[C@H](C)CO 62a_100016084084_100011215954 [0,2,0,0,0,0|2,0,0]=4 7704 B13R1.81 C[C@H](CO)Sc1cccc(c1)C#N 62a_100016084084_100000189340 [0,2,0,0,0,0|2,0,0]=4 7705 B13R1.81 C[C@H](CO)Sc1cccc(c1)C=O 62a_100000014684_100016084084 [0,2,0,0,0,0|2,0,0]=4 7706 B13R1.81 C[C@H](CO)Sc1cccc(c1)C=O 62a_100016084084_100000014684 [0,2,0,0,0,0|2,0,0]=4 7707 B13R1.81 C[C@H](CO)Sc1cccc(c1)CF 62a_100010878472_100016084084 [0,2,0,0,0,0|2,0,0]=4 7708 B13R1.81 C[C@H](CO)Sc1cccc(c1)CF 62a_100016084084_100010878472 [0,2,0,0,0,0|2,0,0]=4 7709 B13R1.81 C[C@H](CO)Sc1cccc(c1)CN 62a_100000106179_100016084084 [0,2,0,0,0,0|2,0,0]=4 7710 B13R1.81 C[C@H](CO)Sc1cccc(c1)CN 62a_100016084084_100000106179 [0,2,0,0,0,0|2,0,0]=4 7711 B13R1.81 C[C@H](CO)Sc1cccc(c1)CO 62a_100000687537_100016084084 [0,2,0,0,0,0|2,0,0]=4 7712 B13R1.81 C[C@H](CO)Sc1cccc(c1)CO 62a_100016084084_100000687537 [0,2,0,0,0,0|2,0,0]=4 7713 B13R1.81 C[C@H](CO)Sc1cccc(c1)NN 62a_100000217339_100016084084 [0,2,0,0,0,0|2,0,0]=4 7714 B13R1.81 C[C@H](CO)Sc1cccc(c1)NN 62a_100016084084_100000217339 [0,2,0,0,0,0|2,0,0]=4 7715 B13R1.81 N#Cc1cccc(c1)CC(=O)CO 1458a_100000210174_100000233786 [0,2,0,0,0,0|1,0,1]=4 7716 B13R1.81 O=C(CO)Cc1cccc(c1)CO 1458a_100000210174_100010188025 [0,2,0,0,0,0|1,0,1]=4 7717 B13R1.81 O=Cc1cccc(c1)CC(=O)CO 1458a_100000210174_100009816774 [0,2,0,0,0,0|1,0,1]=4 7718 B13R1.81 [13CH3]Sc1cccc(c1)CC(N)CO 62a_114802770106_200025704644 [0,2,0,0,0,0|0,0,0]=2 7719 B13R1.81 [13CH3]Sc1cccc(c1)CC(N)CO 62a_200025704644_114802770106 [0,2,0,0,0,0|0,0,0]=2 7720 B13R1.146 CNC(CO)Cc1cccc(c1)Br 2230a_114802770106_200000210301 [0,2,0,0,0,0|0,0,0]=2 7721 B13R1.146 CNC(CO)Cc1cccc(c1)Br 34a_114802770106_200000210301 [0,2,0,0,0,0|0,0,0]=2 7722 B13R1.146 CNC(CO)Cc1cccc(c1)C 2230a_100000716799_200000210301 [0,2,0,0,0,0|0,0,0]=2 7723 B13R1.146 CNC(CO)Cc1cccc(c1)C 34a_100000716799_200000210301 [0,2,0,0,0,0|0,0,0]=2 7724 B13R1.146 CNC(CO)Cc1cccc(c1)F 2230a_200012000099_200000210301 [0,2,0,0,0,0|0,0,0]=2 7725 B13R1.146 CNC(CO)Cc1cccc(c1)F 34a_200012000099_200000210301 [0,2,0,0,0,0|0,0,0]=2 7726 B13R1.146 Cc1cccc(c1)CC(CO)N[13CH3] 2230a_100000716799_200025704644 [0,2,0,0,0,0|0,0,0]=2 7727 B13R1.146 Cc1cccc(c1)CC(CO)N[13CH3] 34a_100000716799_200025704644 [0,2,0,0,0,0|0,0,0]=2 7728 B13R1.146 [13CH3]NC(CO)Cc1cccc(c1)Br 2230a_114802770106_200025704644 [0,2,0,0,0,0|0,0,0]=2 7729 B13R1.146 [13CH3]NC(CO)Cc1cccc(c1)Br 34a_114802770106_200025704644 [0,2,0,0,0,0|0,0,0]=2 7730 B13R1.146 [13CH3]NC(CO)Cc1cccc(c1)F 2230a_200012000099_200025704644 [0,2,0,0,0,0|0,0,0]=2 7731 B13R1.146 [13CH3]NC(CO)Cc1cccc(c1)F 34a_200012000099_200025704644 [0,2,0,0,0,0|0,0,0]=2 7732 B13R1.250 Cc1cccc(c1)SC(F)(F)CO 62a_100011215228_100011217949 [0,2,0,0,0,0|2,0,0]=4 7733 B13R1.250 Cc1cccc(c1)SC(F)(F)CO 62a_100011217949_100011215228 [0,2,0,0,0,0|2,0,0]=4 7734 B13R1.250 Nc1cccc(c1)SC(F)(F)CO 62a_100000210019_100011217949 [0,2,0,0,0,0|2,0,0]=4 7735 B13R1.250 Nc1cccc(c1)SC(F)(F)CO 62a_100011217949_100000210019 [0,2,0,0,0,0|2,0,0]=4 7736 B13R1.250 OCC(F)(F)Sc1cccc(c1)Br 62a_100000691529_100011217949 [0,2,0,0,0,0|2,0,0]=4 7737 B13R1.250 OCC(F)(F)Sc1cccc(c1)Br 62a_100011217949_100000691529 [0,2,0,0,0,0|2,0,0]=4 7738 B13R1.250 OCC(F)(F)Sc1cccc(c1)Cl 62a_100000699651_100011217949 [0,2,0,0,0,0|2,0,0]=4 7739 B13R1.250 OCC(F)(F)Sc1cccc(c1)Cl 62a_100011217949_100000699651 [0,2,0,0,0,0|2,0,0]=4 7740 B13R1.250 OCC(F)(F)Sc1cccc(c1)F 62a_100000685547_100011217949 [0,2,0,0,0,0|2,0,0]=4 7741 B13R1.250 OCC(F)(F)Sc1cccc(c1)F 62a_100011217949_100000685547 [0,2,0,0,0,0|2,0,0]=4 7742 B13R1.250 OCC(F)(F)Sc1cccc(c1)O 62a_100011217949_100000211634 [0,2,0,0,0,0|2,0,0]=4 7743 B13R1.250 OCC(F)(F)Sc1cccc(c1)[S] 62a_100011217949_114929384022 [0,2,0,0,0,0|2,0,0]=4 7744 B13R1.250 OCC(F)(F)Sc1cccc(c1)[S] 62a_114929384022_100011217949 [0,2,0,0,0,0|2,0,0]=4 7745 B13R1.2872 CC(CO)Nc1cc(ccc1Br)Br 34a_100000737762_100012180447 [0,2,0,0,0,0|2,0,0]=4 7746 B13R1.2872 CC(CO)Nc1cc(ccc1Br)Cl 34a_100000687073_100012180447 [0,2,0,0,0,0|2,0,0]=4 7747 B13R1.2872 CC(CO)Nc1cc(ccc1Br)F 34a_100000687223_100012180447 [0,2,0,0,0,0|2,0,0]=4 7748 B13R1.2872 CC(CO)Nc1cc(ccc1Br)O 34a_100011999798_100012180447 [0,2,0,0,0,0|2,0,0]=4 7749 B13R1.2872 CC(CO)Nc1cc(ccc1Cl)Br 34a_100000750497_100012180447 [0,2,0,0,0,0|2,0,0]=4 7750 B13R1.2872 CC(CO)Nc1cc(ccc1Cl)Cl 34a_100000184485_100012180447 [0,2,0,0,0,0|2,0,0]=4 7751 B13R1.2872 CC(CO)Nc1cc(ccc1Cl)F 34a_100000751338_100012180447 [0,2,0,0,0,0|2,0,0]=4 7752 B13R1.2872 CC(CO)Nc1cc(ccc1Cl)I 34a_200000761891_100012180447 [0,2,0,0,0,0|2,0,0]=4 7753 B13R1.2872 CC(CO)Nc1cc(ccc1Cl)O 34a_100011934297_100012180447 [0,2,0,0,0,0|2,0,0]=4 7754 B13R1.2872 CC(CO)Nc1cc(ccc1F)Br 34a_100000740924_100012180447 [0,2,0,0,0,0|2,0,0]=4 7755 B13R1.2872 CC(CO)Nc1cc(ccc1F)Cl 34a_100000212115_100012180447 [0,2,0,0,0,0|2,0,0]=4 7756 B13R1.2872 CC(CO)Nc1cc(ccc1F)F 34a_100000210742_100012180447 [0,2,0,0,0,0|2,0,0]=4 7757 B13R1.2872 CC(CO)Nc1cc(ccc1F)I 34a_100011464823_100012180447 [0,2,0,0,0,0|2,0,0]=4 7758 B13R1.2872 CC(CO)Nc1cc(ccc1F)O 34a_100012017239_100012180447 [0,2,0,0,0,0|2,0,0]=4 7759 B13R1.2872 CC(CO)Nc1cc(ccc1I)Br 34a_100000743836_100012180447 [0,2,0,0,0,0|2,0,0]=4 7760 B13R1.2872 CC(CO)Nc1cc(ccc1I)Cl 34a_100000761886_100012180447 [0,2,0,0,0,0|2,0,0]=4 7761 B13R1.2872 CC(CO)Nc1cc(ccc1I)F 34a_100011218093_100012180447 [0,2,0,0,0,0|2,0,0]=4 7762 B13R1.2872 CC(CO)Nc1cc(ccc1O)Br 34a_100000752626_100012180447 [0,2,0,0,0,0|2,0,0]=4 7763 B13R1.2872 CC(CO)Nc1cc(ccc1O)Cl 34a_100000210500_100012180447 [0,2,0,0,0,0|2,0,0]=4 7764 B13R1.2872 CC(CO)Nc1cc(ccc1O)F 34a_100000759472_100012180447 [0,2,0,0,0,0|2,0,0]=4 7765 B13R1.2872 CC(CO)Oc1cc(ccc1Br)Br 34a_100011220040_100012180447 [0,2,0,0,0,0|2,0,0]=4 7766 B13R1.2872 CC(CO)Oc1cc(ccc1Br)Br 7a_100011220040_100012180447 [0,2,0,0,0,0|2,0,0]=4 7767 B13R1.2872 CC(CO)Oc1cc(ccc1Br)Cl 34a_100012339455_100012180447 [0,2,0,0,0,0|2,0,0]=4 7768 B13R1.2872 CC(CO)Oc1cc(ccc1Br)Cl 7a_100012339455_100012180447 [0,2,0,0,0,0|2,0,0]=4 7769 B13R1.2872 CC(CO)Oc1cc(ccc1Br)F 34a_100000690578_100012180447 [0,2,0,0,0,0|2,0,0]=4 7770 B13R1.2872 CC(CO)Oc1cc(ccc1Br)F 7a_100000690578_100012180447 [0,2,0,0,0,0|2,0,0]=4 7771 B13R1.2872 CC(CO)Oc1cc(ccc1Br)I 34a_100012356990_100012180447 [0,2,0,0,0,0|2,0,0]=4 7772 B13R1.2872 CC(CO)Oc1cc(ccc1Br)I 7a_100012356990_100012180447 [0,2,0,0,0,0|2,0,0]=4 7773 B13R1.2872 CC(CO)Oc1cc(ccc1Cl)Br 34a_100000738945_100012180447 [0,2,0,0,0,0|2,0,0]=4 7774 B13R1.2872 CC(CO)Oc1cc(ccc1Cl)Br 7a_100000738945_100012180447 [0,2,0,0,0,0|2,0,0]=4 7775 B13R1.2872 CC(CO)Oc1cc(ccc1Cl)Cl 34a_100000211422_100012180447 [0,2,0,0,0,0|2,0,0]=4 7776 B13R1.2872 CC(CO)Oc1cc(ccc1Cl)Cl 7a_100000211422_100012180447 [0,2,0,0,0,0|2,0,0]=4 7777 B13R1.2872 CC(CO)Oc1cc(ccc1Cl)F 34a_100000692107_100012180447 [0,2,0,0,0,0|2,0,0]=4 7778 B13R1.2872 CC(CO)Oc1cc(ccc1Cl)F 7a_100000692107_100012180447 [0,2,0,0,0,0|2,0,0]=4 7779 B13R1.2872 CC(CO)Oc1cc(ccc1Cl)I 34a_100011356854_100012180447 [0,2,0,0,0,0|2,0,0]=4 7780 B13R1.2872 CC(CO)Oc1cc(ccc1Cl)I 7a_100011356854_100012180447 [0,2,0,0,0,0|2,0,0]=4 7781 B13R1.2872 CC(CO)Oc1cc(ccc1Cl)N 34a_100011934209_100012180447 [0,2,0,0,0,0|2,0,0]=4 7782 B13R1.2872 CC(CO)Oc1cc(ccc1F)Br 34a_100000686035_100012180447 [0,2,0,0,0,0|2,0,0]=4 7783 B13R1.2872 CC(CO)Oc1cc(ccc1F)Br 7a_100000686035_100012180447 [0,2,0,0,0,0|2,0,0]=4 7784 B13R1.2872 CC(CO)Oc1cc(ccc1F)Cl 34a_100000757397_100012180447 [0,2,0,0,0,0|2,0,0]=4 7785 B13R1.2872 CC(CO)Oc1cc(ccc1F)Cl 7a_100000757397_100012180447 [0,2,0,0,0,0|2,0,0]=4 7786 B13R1.2872 CC(CO)Oc1cc(ccc1F)F 34a_100000752141_100012180447 [0,2,0,0,0,0|2,0,0]=4 7787 B13R1.2872 CC(CO)Oc1cc(ccc1F)F 7a_100000752141_100012180447 [0,2,0,0,0,0|2,0,0]=4 7788 B13R1.2872 CC(CO)Oc1cc(ccc1F)I 34a_100009958187_100012180447 [0,2,0,0,0,0|2,0,0]=4 7789 B13R1.2872 CC(CO)Oc1cc(ccc1F)I 7a_100009958187_100012180447 [0,2,0,0,0,0|2,0,0]=4 7790 B13R1.2872 CC(CO)Oc1cc(ccc1F)N 34a_100012017398_100012180447 [0,2,0,0,0,0|2,0,0]=4 7791 B13R1.2872 CC(CO)Oc1cc(ccc1F)N 7a_100012017398_100012180447 [0,2,0,0,0,0|2,0,0]=4 7792 B13R1.2872 CC(CO)Oc1cc(ccc1I)Br 34a_100012344904_100012180447 [0,2,0,0,0,0|2,0,0]=4 7793 B13R1.2872 CC(CO)Oc1cc(ccc1I)Br 7a_100012344904_100012180447 [0,2,0,0,0,0|2,0,0]=4 7794 B13R1.2872 CC(CO)Oc1cc(ccc1I)Cl 34a_100000050036_100012180447 [0,2,0,0,0,0|2,0,0]=4 7795 B13R1.2872 CC(CO)Oc1cc(ccc1I)Cl 7a_100000050036_100012180447 [0,2,0,0,0,0|2,0,0]=4 7796 B13R1.2872 CC(CO)Oc1cc(ccc1I)F 34a_100010084537_100012180447 [0,2,0,0,0,0|2,0,0]=4 7797 B13R1.2872 CC(CO)Oc1cc(ccc1I)F 7a_100010084537_100012180447 [0,2,0,0,0,0|2,0,0]=4 7798 B13R1.2872 CC(CO)Oc1cc(ccc1N)Br 34a_100000739049_100012180447 [0,2,0,0,0,0|2,0,0]=4 7799 B13R1.2872 CC(CO)Oc1cc(ccc1N)Br 7a_100000739049_100012180447 [0,2,0,0,0,0|2,0,0]=4 7800 B13R1.2872 CC(CO)Oc1cc(ccc1N)Cl 34a_100000185728_100012180447 [0,2,0,0,0,0|2,0,0]=4 7801 B13R1.2872 CC(CO)Oc1cc(ccc1N)Cl 7a_100000185728_100012180447 [0,2,0,0,0,0|2,0,0]=4 7802 B13R1.2872 CC(CO)Oc1cc(ccc1N)F 34a_100000753323_100012180447 [0,2,0,0,0,0|2,0,0]=4 7803 B13R1.2872 CC(CO)Oc1cc(ccc1N)F 7a_100000753323_100012180447 [0,2,0,0,0,0|2,0,0]=4 7804 B13R1.2872 CC(CO)Oc1cc(ccc1N)I 34a_100000057187_100012180447 [0,2,0,0,0,0|2,0,0]=4 7805 B13R1.2872 CC(CO)Oc1cc(ccc1N)I 7a_100000057187_100012180447 [0,2,0,0,0,0|2,0,0]=4 7806 B13R1.2872 CC(CO)Oc1cc(ccc1N)N 34a_100025717382_100012180447 [0,2,0,0,0,0|2,0,0]=4 7807 B13R1.2872 CC(CO)Sc1cc(ccc1Br)Br 62a_100012180447_100011483371 [0,2,0,0,0,0|2,0,0]=4 7808 B13R1.2872 CC(CO)Sc1cc(ccc1Br)Cl 62a_100012180447_100012339723 [0,2,0,0,0,0|2,0,0]=4 7809 B13R1.2872 CC(CO)Sc1cc(ccc1Br)F 62a_100012180447_100011217576 [0,2,0,0,0,0|2,0,0]=4 7810 B13R1.2872 CC(CO)Sc1cc(ccc1Br)N 62a_100012180447_100000750459 [0,2,0,0,0,0|2,0,0]=4 7811 B13R1.2872 CC(CO)Sc1cc(ccc1Br)O 62a_100012180447_100012339312 [0,2,0,0,0,0|2,0,0]=4 7812 B13R1.2872 CC(CO)Sc1cc(ccc1Cl)Br 62a_100012180447_100011772130 [0,2,0,0,0,0|2,0,0]=4 7813 B13R1.2872 CC(CO)Sc1cc(ccc1Cl)Cl 62a_100012180447_100000707729 [0,2,0,0,0,0|2,0,0]=4 7814 B13R1.2872 CC(CO)Sc1cc(ccc1Cl)F 62a_100012180447_100011217299 [0,2,0,0,0,0|2,0,0]=4 7815 B13R1.2872 CC(CO)Sc1cc(ccc1Cl)N 62a_100012180447_100012360549 [0,2,0,0,0,0|2,0,0]=4 7816 B13R1.2872 CC(CO)Sc1cc(ccc1Cl)O 62a_100012180447_100000049588 [0,2,0,0,0,0|2,0,0]=4 7817 B13R1.2872 CC(CO)Sc1cc(ccc1F)Br 62a_100012180447_100011217312 [0,2,0,0,0,0|2,0,0]=4 7818 B13R1.2872 CC(CO)Sc1cc(ccc1F)Cl 62a_100012180447_100011218116 [0,2,0,0,0,0|2,0,0]=4 7819 B13R1.2872 CC(CO)Sc1cc(ccc1F)F 62a_100012180447_100011219198 [0,2,0,0,0,0|2,0,0]=4 7820 B13R1.2872 CC(CO)Sc1cc(ccc1F)N 62a_100012180447_100000760356 [0,2,0,0,0,0|2,0,0]=4 7821 B13R1.2872 CC(CO)Sc1cc(ccc1F)O 62a_100012180447_100000693481 [0,2,0,0,0,0|2,0,0]=4 7822 B13R1.2872 CC(CO)Sc1cc(ccc1N)Br 62a_100012180447_100000187925 [0,2,0,0,0,0|2,0,0]=4 7823 B13R1.2872 CC(CO)Sc1cc(ccc1N)Cl 62a_100012180447_100000761889 [0,2,0,0,0,0|2,0,0]=4 7824 B13R1.2872 CC(CO)Sc1cc(ccc1N)F 62a_100012180447_100000760547 [0,2,0,0,0,0|2,0,0]=4 7825 B13R1.2872 CC(CO)Sc1cc(ccc1N)N 62a_100012180447_100011534242 [0,2,0,0,0,0|2,0,0]=4 7826 B13R1.2872 CC(CO)Sc1cc(ccc1N)O 62a_100012180447_100012001276 [0,2,0,0,0,0|2,0,0]=4 7827 B13R1.2872 CC(CO)Sc1cc(ccc1O)Br 62a_100012180447_100012355227 [0,2,0,0,0,0|2,0,0]=4 7828 B13R1.2872 CC(CO)Sc1cc(ccc1O)Cl 62a_100012180447_100011356953 [0,2,0,0,0,0|2,0,0]=4 7829 B13R1.2872 CC(CO)Sc1cc(ccc1O)F 62a_100012180447_100000211999 [0,2,0,0,0,0|2,0,0]=4 7830 B13R1.2872 CC(CO)Sc1cc(ccc1O)N 62a_100012180447_100011534360 [0,2,0,0,0,0|2,0,0]=4 7831 B13R1.2872 CC(CO)Sc1cc(ccc1O)O 62a_100012180447_100009813629 [0,2,0,0,0,0|2,0,0]=4 7832 B13R1.2872 C[C@H](CO)Sc1cc(ccc1Br)Br 62a_100011483371_100016084084 [0,2,0,0,0,0|2,0,0]=4 7833 B13R1.2872 C[C@H](CO)Sc1cc(ccc1Br)Br 62a_100016084084_100011483371 [0,2,0,0,0,0|2,0,0]=4 7834 B13R1.2872 C[C@H](CO)Sc1cc(ccc1Br)Cl 62a_100012339723_100016084084 [0,2,0,0,0,0|2,0,0]=4 7835 B13R1.2872 C[C@H](CO)Sc1cc(ccc1Br)Cl 62a_100016084084_100012339723 [0,2,0,0,0,0|2,0,0]=4 7836 B13R1.2872 C[C@H](CO)Sc1cc(ccc1Br)F 62a_100011217576_100016084084 [0,2,0,0,0,0|2,0,0]=4 7837 B13R1.2872 C[C@H](CO)Sc1cc(ccc1Br)F 62a_100016084084_100011217576 [0,2,0,0,0,0|2,0,0]=4 7838 B13R1.2872 C[C@H](CO)Sc1cc(ccc1Br)N 62a_100000750459_100016084084 [0,2,0,0,0,0|2,0,0]=4 7839 B13R1.2872 C[C@H](CO)Sc1cc(ccc1Br)N 62a_100016084084_100000750459 [0,2,0,0,0,0|2,0,0]=4 7840 B13R1.2872 C[C@H](CO)Sc1cc(ccc1Br)O 62a_100012339312_100016084084 [0,2,0,0,0,0|2,0,0]=4 7841 B13R1.2872 C[C@H](CO)Sc1cc(ccc1Br)O 62a_100016084084_100012339312 [0,2,0,0,0,0|2,0,0]=4 7842 B13R1.2872 C[C@H](CO)Sc1cc(ccc1Cl)Br 62a_100011772130_100016084084 [0,2,0,0,0,0|2,0,0]=4 7843 B13R1.2872 C[C@H](CO)Sc1cc(ccc1Cl)Br 62a_100016084084_100011772130 [0,2,0,0,0,0|2,0,0]=4 7844 B13R1.2872 C[C@H](CO)Sc1cc(ccc1Cl)Cl 62a_100000707729_100016084084 [0,2,0,0,0,0|2,0,0]=4 7845 B13R1.2872 C[C@H](CO)Sc1cc(ccc1Cl)Cl 62a_100016084084_100000707729 [0,2,0,0,0,0|2,0,0]=4 7846 B13R1.2872 C[C@H](CO)Sc1cc(ccc1Cl)F 62a_100011217299_100016084084 [0,2,0,0,0,0|2,0,0]=4 7847 B13R1.2872 C[C@H](CO)Sc1cc(ccc1Cl)F 62a_100016084084_100011217299 [0,2,0,0,0,0|2,0,0]=4 7848 B13R1.2872 C[C@H](CO)Sc1cc(ccc1Cl)N 62a_100012360549_100016084084 [0,2,0,0,0,0|2,0,0]=4 7849 B13R1.2872 C[C@H](CO)Sc1cc(ccc1Cl)N 62a_100016084084_100012360549 [0,2,0,0,0,0|2,0,0]=4 7850 B13R1.2872 C[C@H](CO)Sc1cc(ccc1Cl)O 62a_100000049588_100016084084 [0,2,0,0,0,0|2,0,0]=4 7851 B13R1.2872 C[C@H](CO)Sc1cc(ccc1Cl)O 62a_100016084084_100000049588 [0,2,0,0,0,0|2,0,0]=4 7852 B13R1.2872 C[C@H](CO)Sc1cc(ccc1F)Br 62a_100011217312_100016084084 [0,2,0,0,0,0|2,0,0]=4 7853 B13R1.2872 C[C@H](CO)Sc1cc(ccc1F)Br 62a_100016084084_100011217312 [0,2,0,0,0,0|2,0,0]=4 7854 B13R1.2872 C[C@H](CO)Sc1cc(ccc1F)Cl 62a_100011218116_100016084084 [0,2,0,0,0,0|2,0,0]=4 7855 B13R1.2872 C[C@H](CO)Sc1cc(ccc1F)Cl 62a_100016084084_100011218116 [0,2,0,0,0,0|2,0,0]=4 7856 B13R1.2872 C[C@H](CO)Sc1cc(ccc1F)F 62a_100011219198_100016084084 [0,2,0,0,0,0|2,0,0]=4 7857 B13R1.2872 C[C@H](CO)Sc1cc(ccc1F)F 62a_100016084084_100011219198 [0,2,0,0,0,0|2,0,0]=4 7858 B13R1.2872 C[C@H](CO)Sc1cc(ccc1F)N 62a_100000760356_100016084084 [0,2,0,0,0,0|2,0,0]=4 7859 B13R1.2872 C[C@H](CO)Sc1cc(ccc1F)N 62a_100016084084_100000760356 [0,2,0,0,0,0|2,0,0]=4 7860 B13R1.2872 C[C@H](CO)Sc1cc(ccc1F)O 62a_100000693481_100016084084 [0,2,0,0,0,0|2,0,0]=4 7861 B13R1.2872 C[C@H](CO)Sc1cc(ccc1F)O 62a_100016084084_100000693481 [0,2,0,0,0,0|2,0,0]=4 7862 B13R1.2872 C[C@H](CO)Sc1cc(ccc1N)Br 62a_100000187925_100016084084 [0,2,0,0,0,0|2,0,0]=4 7863 B13R1.2872 C[C@H](CO)Sc1cc(ccc1N)Br 62a_100016084084_100000187925 [0,2,0,0,0,0|2,0,0]=4 7864 B13R1.2872 C[C@H](CO)Sc1cc(ccc1N)Cl 62a_100000761889_100016084084 [0,2,0,0,0,0|2,0,0]=4 7865 B13R1.2872 C[C@H](CO)Sc1cc(ccc1N)Cl 62a_100016084084_100000761889 [0,2,0,0,0,0|2,0,0]=4 7866 B13R1.2872 C[C@H](CO)Sc1cc(ccc1N)F 62a_100000760547_100016084084 [0,2,0,0,0,0|2,0,0]=4 7867 B13R1.2872 C[C@H](CO)Sc1cc(ccc1N)F 62a_100016084084_100000760547 [0,2,0,0,0,0|2,0,0]=4 7868 B13R1.2872 C[C@H](CO)Sc1cc(ccc1N)N 62a_100011534242_100016084084 [0,2,0,0,0,0|2,0,0]=4 7869 B13R1.2872 C[C@H](CO)Sc1cc(ccc1N)N 62a_100016084084_100011534242 [0,2,0,0,0,0|2,0,0]=4 7870 B13R1.2872 C[C@H](CO)Sc1cc(ccc1N)O 62a_100012001276_100016084084 [0,2,0,0,0,0|2,0,0]=4 7871 B13R1.2872 C[C@H](CO)Sc1cc(ccc1N)O 62a_100016084084_100012001276 [0,2,0,0,0,0|2,0,0]=4 7872 B13R1.2872 C[C@H](CO)Sc1cc(ccc1O)Br 62a_100012355227_100016084084 [0,2,0,0,0,0|2,0,0]=4 7873 B13R1.2872 C[C@H](CO)Sc1cc(ccc1O)Br 62a_100016084084_100012355227 [0,2,0,0,0,0|2,0,0]=4 7874 B13R1.2872 C[C@H](CO)Sc1cc(ccc1O)Cl 62a_100011356953_100016084084 [0,2,0,0,0,0|2,0,0]=4 7875 B13R1.2872 C[C@H](CO)Sc1cc(ccc1O)Cl 62a_100016084084_100011356953 [0,2,0,0,0,0|2,0,0]=4 7876 B13R1.2872 C[C@H](CO)Sc1cc(ccc1O)F 62a_100000211999_100016084084 [0,2,0,0,0,0|2,0,0]=4 7877 B13R1.2872 C[C@H](CO)Sc1cc(ccc1O)F 62a_100016084084_100000211999 [0,2,0,0,0,0|2,0,0]=4 7878 B13R1.2872 C[C@H](CO)Sc1cc(ccc1O)N 62a_100011534360_100016084084 [0,2,0,0,0,0|2,0,0]=4 7879 B13R1.2872 C[C@H](CO)Sc1cc(ccc1O)N 62a_100016084084_100011534360 [0,2,0,0,0,0|2,0,0]=4 7880 B13R1.2872 C[C@H](CO)Sc1cc(ccc1O)O 62a_100016084084_100009813629 [0,2,0,0,0,0|2,0,0]=4 7881 B13R1.2872 Cc1ccc(c(c1)CC(=O)CO)C 1458a_100000210174_100000184699 [0,2,0,0,0,0|1,0,1]=4 7882 B13R1.2872 Cc1ccc(c(c1)CC(=O)CO)Cl 1458a_100000210174_100009871730 [0,2,0,0,0,0|1,0,1]=4 7883 B13R1.2872 Cc1ccc(c(c1)CC(=O)CO)F 1458a_100000210174_100011260760 [0,2,0,0,0,0|1,0,1]=4 7884 B13R1.2872 Cc1ccc(c(c1)NC(C)CO)Br 34a_100000745044_100012180447 [0,2,0,0,0,0|2,0,0]=4 7885 B13R1.2872 Cc1ccc(c(c1)NC(C)CO)C 2230a_100000185781_100012180447 [0,2,0,0,0,0|2,0,0]=4 7886 B13R1.2872 Cc1ccc(c(c1)NC(C)CO)C 34a_100000185781_100012180447 [0,2,0,0,0,0|2,0,0]=4 7887 B13R1.2872 Cc1ccc(c(c1)NC(C)CO)C 7a_100000185781_100012180447 [0,2,0,0,0,0|2,0,0]=4 7888 B13R1.2872 Cc1ccc(c(c1)NC(C)CO)Cl 34a_100011215360_100012180447 [0,2,0,0,0,0|2,0,0]=4 7889 B13R1.2872 Cc1ccc(c(c1)NC(C)CO)F 34a_100000211285_100012180447 [0,2,0,0,0,0|2,0,0]=4 7890 B13R1.2872 Cc1ccc(c(c1)NC(C)CO)I 34a_100011216686_100012180447 [0,2,0,0,0,0|2,0,0]=4 7891 B13R1.2872 Cc1ccc(c(c1)NC(C)CO)O 34a_100011215204_100012180447 [0,2,0,0,0,0|2,0,0]=4 7892 B13R1.2872 Cc1ccc(c(c1)OC(C)CO)Br 34a_100012002257_100012180447 [0,2,0,0,0,0|2,0,0]=4 7893 B13R1.2872 Cc1ccc(c(c1)OC(C)CO)Br 7a_100012002257_100012180447 [0,2,0,0,0,0|2,0,0]=4 7894 B13R1.2872 Cc1ccc(c(c1)OC(C)CO)C 34a_100000210931_100012180447 [0,2,0,0,0,0|2,0,0]=4 7895 B13R1.2872 Cc1ccc(c(c1)OC(C)CO)C 7a_100000210931_100012180447 [0,2,0,0,0,0|2,0,0]=4 7896 B13R1.2872 Cc1ccc(c(c1)OC(C)CO)Cl 34a_100000211493_100012180447 [0,2,0,0,0,0|2,0,0]=4 7897 B13R1.2872 Cc1ccc(c(c1)OC(C)CO)Cl 7a_100000211493_100012180447 [0,2,0,0,0,0|2,0,0]=4 7898 B13R1.2872 Cc1ccc(c(c1)OC(C)CO)F 34a_100000759540_100012180447 [0,2,0,0,0,0|2,0,0]=4 7899 B13R1.2872 Cc1ccc(c(c1)OC(C)CO)F 7a_100000759540_100012180447 [0,2,0,0,0,0|2,0,0]=4 7900 B13R1.2872 Cc1ccc(c(c1)OC(C)CO)N 34a_100000211527_100012180447 [0,2,0,0,0,0|2,0,0]=4 7901 B13R1.2872 Cc1ccc(c(c1)OC(C)CO)N 7a_100000211527_100012180447 [0,2,0,0,0,0|2,0,0]=4 7902 B13R1.2872 Cc1ccc(c(c1)SC(C)CO)Br 62a_100012180447_100012353751 [0,2,0,0,0,0|2,0,0]=4 7903 B13R1.2872 Cc1ccc(c(c1)SC(C)CO)C 62a_100012180447_100000210833 [0,2,0,0,0,0|2,0,0]=4 7904 B13R1.2872 Cc1ccc(c(c1)SC(C)CO)Cl 62a_100012180447_100012356289 [0,2,0,0,0,0|2,0,0]=4 7905 B13R1.2872 Cc1ccc(c(c1)SC(C)CO)F 62a_100012180447_100000736223 [0,2,0,0,0,0|2,0,0]=4 7906 B13R1.2872 Cc1ccc(c(c1)SC(C)CO)N 62a_100012180447_100011356834 [0,2,0,0,0,0|2,0,0]=4 7907 B13R1.2872 Cc1ccc(c(c1)SC(C)CO)O 62a_100012180447_100000765521 [0,2,0,0,0,0|2,0,0]=4 7908 B13R1.2872 Cc1ccc(c(c1)S[C@H](C)CO)Br 62a_100012353751_100016084084 [0,2,0,0,0,0|2,0,0]=4 7909 B13R1.2872 Cc1ccc(c(c1)S[C@H](C)CO)Br 62a_100016084084_100012353751 [0,2,0,0,0,0|2,0,0]=4 7910 B13R1.2872 Cc1ccc(c(c1)S[C@H](C)CO)C 62a_100000210833_100016084084 [0,2,0,0,0,0|2,0,0]=4 7911 B13R1.2872 Cc1ccc(c(c1)S[C@H](C)CO)C 62a_100016084084_100000210833 [0,2,0,0,0,0|2,0,0]=4 7912 B13R1.2872 Cc1ccc(c(c1)S[C@H](C)CO)Cl 62a_100012356289_100016084084 [0,2,0,0,0,0|2,0,0]=4 7913 B13R1.2872 Cc1ccc(c(c1)S[C@H](C)CO)Cl 62a_100016084084_100012356289 [0,2,0,0,0,0|2,0,0]=4 7914 B13R1.2872 Cc1ccc(c(c1)S[C@H](C)CO)F 62a_100000736223_100016084084 [0,2,0,0,0,0|2,0,0]=4 7915 B13R1.2872 Cc1ccc(c(c1)S[C@H](C)CO)F 62a_100016084084_100000736223 [0,2,0,0,0,0|2,0,0]=4 7916 B13R1.2872 Cc1ccc(c(c1)S[C@H](C)CO)N 62a_100011356834_100016084084 [0,2,0,0,0,0|2,0,0]=4 7917 B13R1.2872 Cc1ccc(c(c1)S[C@H](C)CO)N 62a_100016084084_100011356834 [0,2,0,0,0,0|2,0,0]=4 7918 B13R1.2872 Cc1ccc(c(c1)S[C@H](C)CO)O 62a_100000765521_100016084084 [0,2,0,0,0,0|2,0,0]=4 7919 B13R1.2872 Cc1ccc(c(c1)S[C@H](C)CO)O 62a_100016084084_100000765521 [0,2,0,0,0,0|2,0,0]=4 7920 B13R1.2872 Cc1ccc(cc1CC(=O)CO)Cl 1458a_100000210174_100012186985 [0,2,0,0,0,0|1,0,1]=4 7921 B13R1.2872 Cc1ccc(cc1CC(=O)CO)F 1458a_100000210174_100000709795 [0,2,0,0,0,0|1,0,1]=4 7922 B13R1.2872 Cc1ccc(cc1NC(C)CO)Br 34a_100000741167_100012180447 [0,2,0,0,0,0|2,0,0]=4 7923 B13R1.2872 Cc1ccc(cc1NC(C)CO)Br 7a_100000741167_100012180447 [0,2,0,0,0,0|2,0,0]=4 7924 B13R1.2872 Cc1ccc(cc1NC(C)CO)Cl 34a_100000211374_100012180447 [0,2,0,0,0,0|2,0,0]=4 7925 B13R1.2872 Cc1ccc(cc1NC(C)CO)Cl 7a_100000211374_100012180447 [0,2,0,0,0,0|2,0,0]=4 7926 B13R1.2872 Cc1ccc(cc1NC(C)CO)F 34a_100000211107_100012180447 [0,2,0,0,0,0|2,0,0]=4 7927 B13R1.2872 Cc1ccc(cc1NC(C)CO)F 7a_100000211107_100012180447 [0,2,0,0,0,0|2,0,0]=4 7928 B13R1.2872 Cc1ccc(cc1NC(C)CO)I 7a_100000761890_100012180447 [0,2,0,0,0,0|2,0,0]=4 7929 B13R1.2872 Cc1ccc(cc1NC(C)CO)O 34a_100011216113_100012180447 [0,2,0,0,0,0|2,0,0]=4 7930 B13R1.2872 Cc1ccc(cc1OC(C)CO)Br 34a_100000685420_100012180447 [0,2,0,0,0,0|2,0,0]=4 7931 B13R1.2872 Cc1ccc(cc1OC(C)CO)Br 7a_100000685420_100012180447 [0,2,0,0,0,0|2,0,0]=4 7932 B13R1.2872 Cc1ccc(cc1OC(C)CO)Cl 34a_100000756515_100012180447 [0,2,0,0,0,0|2,0,0]=4 7933 B13R1.2872 Cc1ccc(cc1OC(C)CO)Cl 7a_100000756515_100012180447 [0,2,0,0,0,0|2,0,0]=4 7934 B13R1.2872 Cc1ccc(cc1OC(C)CO)F 34a_100000690566_100012180447 [0,2,0,0,0,0|2,0,0]=4 7935 B13R1.2872 Cc1ccc(cc1OC(C)CO)F 7a_100000690566_100012180447 [0,2,0,0,0,0|2,0,0]=4 7936 B13R1.2872 Cc1ccc(cc1OC(C)CO)I 7a_100000766334_100012180447 [0,2,0,0,0,0|2,0,0]=4 7937 B13R1.2872 Cc1ccc(cc1OC(C)CO)N 34a_100000759471_100012180447 [0,2,0,0,0,0|2,0,0]=4 7938 B13R1.2872 Cc1ccc(cc1OC(C)CO)N 7a_100000759471_100012180447 [0,2,0,0,0,0|2,0,0]=4 7939 B13R1.2872 Cc1ccc(cc1SC(C)CO)Br 62a_100012180447_100011344865 [0,2,0,0,0,0|2,0,0]=4 7940 B13R1.2872 Cc1ccc(cc1SC(C)CO)Cl 62a_100012180447_100011263213 [0,2,0,0,0,0|2,0,0]=4 7941 B13R1.2872 Cc1ccc(cc1SC(C)CO)F 62a_100012180447_100011218078 [0,2,0,0,0,0|2,0,0]=4 7942 B13R1.2872 Cc1ccc(cc1SC(C)CO)N 62a_100012180447_100000736455 [0,2,0,0,0,0|2,0,0]=4 7943 B13R1.2872 Cc1ccc(cc1SC(C)CO)O 62a_100012180447_100011380479 [0,2,0,0,0,0|2,0,0]=4 7944 B13R1.2872 Cc1ccc(cc1S[C@H](C)CO)Br 62a_100011344865_100016084084 [0,2,0,0,0,0|2,0,0]=4 7945 B13R1.2872 Cc1ccc(cc1S[C@H](C)CO)Br 62a_100016084084_100011344865 [0,2,0,0,0,0|2,0,0]=4 7946 B13R1.2872 Cc1ccc(cc1S[C@H](C)CO)Cl 62a_100011263213_100016084084 [0,2,0,0,0,0|2,0,0]=4 7947 B13R1.2872 Cc1ccc(cc1S[C@H](C)CO)Cl 62a_100016084084_100011263213 [0,2,0,0,0,0|2,0,0]=4 7948 B13R1.2872 Cc1ccc(cc1S[C@H](C)CO)F 62a_100011218078_100016084084 [0,2,0,0,0,0|2,0,0]=4 7949 B13R1.2872 Cc1ccc(cc1S[C@H](C)CO)F 62a_100016084084_100011218078 [0,2,0,0,0,0|2,0,0]=4 7950 B13R1.2872 Cc1ccc(cc1S[C@H](C)CO)N 62a_100000736455_100016084084 [0,2,0,0,0,0|2,0,0]=4 7951 B13R1.2872 Cc1ccc(cc1S[C@H](C)CO)N 62a_100016084084_100000736455 [0,2,0,0,0,0|2,0,0]=4 7952 B13R1.2872 Cc1ccc(cc1S[C@H](C)CO)O 62a_100011380479_100016084084 [0,2,0,0,0,0|2,0,0]=4 7953 B13R1.2872 Cc1ccc(cc1S[C@H](C)CO)O 62a_100016084084_100011380479 [0,2,0,0,0,0|2,0,0]=4 7954 B13R1.2872 O=C(CO)Cc1cc(ccc1Br)Br 1458a_100000210174_100011982794 [0,2,0,0,0,0|1,0,1]=4 7955 B13R1.2872 O=C(CO)Cc1cc(ccc1Br)Cl 1458a_100000210174_100000733903 [0,2,0,0,0,0|1,0,1]=4 7956 B13R1.2872 O=C(CO)Cc1cc(ccc1Br)F 1458a_100000210174_100000736370 [0,2,0,0,0,0|1,0,1]=4 7957 B13R1.2872 O=C(CO)Cc1cc(ccc1Br)I 1458a_100000210174_100012355412 [0,2,0,0,0,0|1,0,1]=4 7958 B13R1.2872 O=C(CO)Cc1cc(ccc1Cl)Br 1458a_100000210174_100000763347 [0,2,0,0,0,0|1,0,1]=4 7959 B13R1.2872 O=C(CO)Cc1cc(ccc1Cl)Cl 1458a_100000210174_100000754809 [0,2,0,0,0,0|1,0,1]=4 7960 B13R1.2872 O=C(CO)Cc1cc(ccc1Cl)F 1458a_100000210174_100000709952 [0,2,0,0,0,0|1,0,1]=4 7961 B13R1.2872 O=C(CO)Cc1cc(ccc1Cl)I 1458a_100000210174_100010188191 [0,2,0,0,0,0|1,0,1]=4 7962 B13R1.2872 O=C(CO)Cc1cc(ccc1F)Br 1458a_100000210174_100000736399 [0,2,0,0,0,0|1,0,1]=4 7963 B13R1.2872 O=C(CO)Cc1cc(ccc1F)Cl 1458a_100000210174_100000716957 [0,2,0,0,0,0|1,0,1]=4 7964 B13R1.2872 O=C(CO)Cc1cc(ccc1F)F 1458a_100000210174_100000741279 [0,2,0,0,0,0|1,0,1]=4 7965 B13R1.2872 O=C(CO)Cc1cc(ccc1F)I 1458a_100000210174_200010149601 [0,2,0,0,0,0|1,0,1]=4 7966 B13R1.2872 O=C(CO)Cc1cc(ccc1I)Br 1458a_100000210174_100012362523 [0,2,0,0,0,0|1,0,1]=4 7967 B13R1.2872 O=C(CO)Cc1cc(ccc1I)Cl 1458a_100000210174_100012348826 [0,2,0,0,0,0|1,0,1]=4 7968 B13R1.2872 O=C(CO)Cc1cc(ccc1I)F 1458a_100000210174_100010149606 [0,2,0,0,0,0|1,0,1]=4 7969 B13R1.2872 O=C(CO)Cc1cc(ccc1O)F 1458a_100000210174_100010161318 [0,2,0,0,0,0|1,0,1]=4 7970 B13R1.2874 CC(CO)Nc1cc(cc(c1)Br)Br 34a_100012047176_100012180447 [0,2,0,0,0,0|2,0,0]=4 7971 B13R1.2874 CC(CO)Nc1cc(cc(c1)Br)Br 7a_100012047176_100012180447 [0,2,0,0,0,0|2,0,0]=4 7972 B13R1.2874 CC(CO)Nc1cc(cc(c1)Br)Cl 34a_100011934539_100012180447 [0,2,0,0,0,0|2,0,0]=4 7973 B13R1.2874 CC(CO)Nc1cc(cc(c1)Br)Cl 7a_100011934539_100012180447 [0,2,0,0,0,0|2,0,0]=4 7974 B13R1.2874 CC(CO)Nc1cc(cc(c1)Br)F 34a_100000705686_100012180447 [0,2,0,0,0,0|2,0,0]=4 7975 B13R1.2874 CC(CO)Nc1cc(cc(c1)Br)F 7a_100000705686_100012180447 [0,2,0,0,0,0|2,0,0]=4 7976 B13R1.2874 CC(CO)Nc1cc(cc(c1)Cl)Cl 34a_100000210456_100012180447 [0,2,0,0,0,0|2,0,0]=4 7977 B13R1.2874 CC(CO)Nc1cc(cc(c1)Cl)Cl 7a_100000210456_100012180447 [0,2,0,0,0,0|2,0,0]=4 7978 B13R1.2874 CC(CO)Nc1cc(cc(c1)Cl)F 34a_100000686136_100012180447 [0,2,0,0,0,0|2,0,0]=4 7979 B13R1.2874 CC(CO)Nc1cc(cc(c1)Cl)F 7a_100000686136_100012180447 [0,2,0,0,0,0|2,0,0]=4 7980 B13R1.2874 CC(CO)Nc1cc(cc(c1)Cl)O 34a_100000123917_100012180447 [0,2,0,0,0,0|2,0,0]=4 7981 B13R1.2874 CC(CO)Nc1cc(cc(c1)Cl)O 7a_100000123917_100012180447 [0,2,0,0,0,0|2,0,0]=4 7982 B13R1.2874 CC(CO)Nc1cc(cc(c1)F)F 34a_100000233717_100012180447 [0,2,0,0,0,0|2,0,0]=4 7983 B13R1.2874 CC(CO)Nc1cc(cc(c1)F)F 7a_100000233717_100012180447 [0,2,0,0,0,0|2,0,0]=4 7984 B13R1.2874 CC(CO)Nc1cc(cc(c1)I)Br 7a_100009814763_100012180447 [0,2,0,0,0,0|2,0,0]=4 7985 B13R1.2874 CC(CO)Nc1cc(cc(c1)I)Cl 7a_100010147676_100012180447 [0,2,0,0,0,0|2,0,0]=4 7986 B13R1.2874 CC(CO)Nc1cc(cc(c1)I)F 34a_100011356972_100012180447 [0,2,0,0,0,0|2,0,0]=4 7987 B13R1.2874 CC(CO)Nc1cc(cc(c1)I)F 7a_100011356972_100012180447 [0,2,0,0,0,0|2,0,0]=4 7988 B13R1.2874 CC(CO)Nc1cc(cc(c1)I)I 7a_200000696836_100012180447 [0,2,0,0,0,0|2,0,0]=4 7989 B13R1.2874 CC(CO)Nc1cc(cc(c1)O)O 34a_100000043371_100012180447 [0,2,0,0,0,0|2,0,0]=4 7990 B13R1.2874 CC(CO)Oc1cc(cc(c1)Br)Br 34a_100010167048_100012180447 [0,2,0,0,0,0|2,0,0]=4 7991 B13R1.2874 CC(CO)Oc1cc(cc(c1)Br)Br 7a_100010167048_100012180447 [0,2,0,0,0,0|2,0,0]=4 7992 B13R1.2874 CC(CO)Oc1cc(cc(c1)Br)Cl 34a_100010185897_100012180447 [0,2,0,0,0,0|2,0,0]=4 7993 B13R1.2874 CC(CO)Oc1cc(cc(c1)Br)Cl 7a_100010185897_100012180447 [0,2,0,0,0,0|2,0,0]=4 7994 B13R1.2874 CC(CO)Oc1cc(cc(c1)Br)F 34a_100000688818_100012180447 [0,2,0,0,0,0|2,0,0]=4 7995 B13R1.2874 CC(CO)Oc1cc(cc(c1)Br)F 7a_100000688818_100012180447 [0,2,0,0,0,0|2,0,0]=4 7996 B13R1.2874 CC(CO)Oc1cc(cc(c1)Cl)Cl 34a_100000181315_100012180447 [0,2,0,0,0,0|2,0,0]=4 7997 B13R1.2874 CC(CO)Oc1cc(cc(c1)Cl)Cl 7a_100000181315_100012180447 [0,2,0,0,0,0|2,0,0]=4 7998 B13R1.2874 CC(CO)Oc1cc(cc(c1)Cl)F 34a_100011219751_100012180447 [0,2,0,0,0,0|2,0,0]=4 7999 B13R1.2874 CC(CO)Oc1cc(cc(c1)Cl)F 7a_100011219751_100012180447 [0,2,0,0,0,0|2,0,0]=4 8000 B13R1.2874 CC(CO)Oc1cc(cc(c1)Cl)N 34a_100000123917_100012180447 [0,2,0,0,0,0|2,0,0]=4 8001 B13R1.2874 CC(CO)Oc1cc(cc(c1)Cl)N 7a_100000123917_100012180447 [0,2,0,0,0,0|2,0,0]=4 8002 B13R1.2874 CC(CO)Oc1cc(cc(c1)F)F 34a_100000747503_100012180447 [0,2,0,0,0,0|2,0,0]=4 8003 B13R1.2874 CC(CO)Oc1cc(cc(c1)F)F 7a_100000747503_100012180447 [0,2,0,0,0,0|2,0,0]=4 8004 B13R1.2874 CC(CO)Oc1cc(cc(c1)I)Br 34a_100010068917_100012180447 [0,2,0,0,0,0|2,0,0]=4 8005 B13R1.2874 CC(CO)Oc1cc(cc(c1)I)Br 7a_100010068917_100012180447 [0,2,0,0,0,0|2,0,0]=4 8006 B13R1.2874 CC(CO)Oc1cc(cc(c1)I)Cl 34a_100010068924_100012180447 [0,2,0,0,0,0|2,0,0]=4 8007 B13R1.2874 CC(CO)Oc1cc(cc(c1)I)Cl 7a_100010068924_100012180447 [0,2,0,0,0,0|2,0,0]=4 8008 B13R1.2874 CC(CO)Oc1cc(cc(c1)I)F 34a_100000717995_100012180447 [0,2,0,0,0,0|2,0,0]=4 8009 B13R1.2874 CC(CO)Oc1cc(cc(c1)I)F 7a_100000717995_100012180447 [0,2,0,0,0,0|2,0,0]=4 8010 B13R1.2874 CC(CO)Sc1cc(cc(c1)Br)Br 62a_100012180447_100009814770 [0,2,0,0,0,0|2,0,0]=4 8011 B13R1.2874 CC(CO)Sc1cc(cc(c1)Br)Cl 62a_100012180447_100009814755 [0,2,0,0,0,0|2,0,0]=4 8012 B13R1.2874 CC(CO)Sc1cc(cc(c1)Br)F 62a_100012180447_100009814764 [0,2,0,0,0,0|2,0,0]=4 8013 B13R1.2874 CC(CO)Sc1cc(cc(c1)Br)N 62a_100012180447_100009814763 [0,2,0,0,0,0|2,0,0]=4 8014 B13R1.2874 CC(CO)Sc1cc(cc(c1)Br)O 62a_100012180447_100010068917 [0,2,0,0,0,0|2,0,0]=4 8015 B13R1.2874 CC(CO)Sc1cc(cc(c1)Cl)Cl 62a_100012180447_100000747138 [0,2,0,0,0,0|2,0,0]=4 8016 B13R1.2874 CC(CO)Sc1cc(cc(c1)Cl)F 62a_100012180447_100013859453 [0,2,0,0,0,0|2,0,0]=4 8017 B13R1.2874 CC(CO)Sc1cc(cc(c1)Cl)N 62a_100012180447_100010147676 [0,2,0,0,0,0|2,0,0]=4 8018 B13R1.2874 CC(CO)Sc1cc(cc(c1)Cl)O 62a_100012180447_100010068924 [0,2,0,0,0,0|2,0,0]=4 8019 B13R1.2874 CC(CO)Sc1cc(cc(c1)F)F 62a_100012180447_100000233788 [0,2,0,0,0,0|2,0,0]=4 8020 B13R1.2874 CC(CO)Sc1cc(cc(c1)F)N 62a_100012180447_100011356972 [0,2,0,0,0,0|2,0,0]=4 8021 B13R1.2874 CC(CO)Sc1cc(cc(c1)F)O 62a_100012180447_100000688818 [0,2,0,0,0,0|2,0,0]=4 8022 B13R1.2874 CC(CO)Sc1cc(cc(c1)N)N 62a_100012180447_100011999608 [0,2,0,0,0,0|2,0,0]=4 8023 B13R1.2874 CC(CO)Sc1cc(cc(c1)O)O 62a_100012180447_100009868816 [0,2,0,0,0,0|2,0,0]=4 8024 B13R1.2874 C[C@H](CO)Nc1cc(cc(c1)Br)Br 27a_100000737577_100009814770 [0,2,0,0,0,0|2,0,0]=4 8025 B13R1.2874 C[C@H](CO)Sc1cc(cc(c1)Br)Br 62a_100009814770_100016084084 [0,2,0,0,0,0|2,0,0]=4 8026 B13R1.2874 C[C@H](CO)Sc1cc(cc(c1)Br)Br 62a_100016084084_100009814770 [0,2,0,0,0,0|2,0,0]=4 8027 B13R1.2874 C[C@H](CO)Sc1cc(cc(c1)Br)Cl 62a_100009814755_100016084084 [0,2,0,0,0,0|2,0,0]=4 8028 B13R1.2874 C[C@H](CO)Sc1cc(cc(c1)Br)Cl 62a_100016084084_100009814755 [0,2,0,0,0,0|2,0,0]=4 8029 B13R1.2874 C[C@H](CO)Sc1cc(cc(c1)Br)F 62a_100009814764_100016084084 [0,2,0,0,0,0|2,0,0]=4 8030 B13R1.2874 C[C@H](CO)Sc1cc(cc(c1)Br)F 62a_100016084084_100009814764 [0,2,0,0,0,0|2,0,0]=4 8031 B13R1.2874 C[C@H](CO)Sc1cc(cc(c1)Br)N 62a_100009814763_100016084084 [0,2,0,0,0,0|2,0,0]=4 8032 B13R1.2874 C[C@H](CO)Sc1cc(cc(c1)Br)N 62a_100016084084_100009814763 [0,2,0,0,0,0|2,0,0]=4 8033 B13R1.2874 C[C@H](CO)Sc1cc(cc(c1)Br)O 62a_100010068917_100016084084 [0,2,0,0,0,0|2,0,0]=4 8034 B13R1.2874 C[C@H](CO)Sc1cc(cc(c1)Br)O 62a_100016084084_100010068917 [0,2,0,0,0,0|2,0,0]=4 8035 B13R1.2874 C[C@H](CO)Sc1cc(cc(c1)Cl)Cl 62a_100000747138_100016084084 [0,2,0,0,0,0|2,0,0]=4 8036 B13R1.2874 C[C@H](CO)Sc1cc(cc(c1)Cl)Cl 62a_100016084084_100000747138 [0,2,0,0,0,0|2,0,0]=4 8037 B13R1.2874 C[C@H](CO)Sc1cc(cc(c1)Cl)F 62a_100013859453_100016084084 [0,2,0,0,0,0|2,0,0]=4 8038 B13R1.2874 C[C@H](CO)Sc1cc(cc(c1)Cl)F 62a_100016084084_100013859453 [0,2,0,0,0,0|2,0,0]=4 8039 B13R1.2874 C[C@H](CO)Sc1cc(cc(c1)Cl)N 62a_100010147676_100016084084 [0,2,0,0,0,0|2,0,0]=4 8040 B13R1.2874 C[C@H](CO)Sc1cc(cc(c1)Cl)N 62a_100016084084_100010147676 [0,2,0,0,0,0|2,0,0]=4 8041 B13R1.2874 C[C@H](CO)Sc1cc(cc(c1)Cl)O 62a_100010068924_100016084084 [0,2,0,0,0,0|2,0,0]=4 8042 B13R1.2874 C[C@H](CO)Sc1cc(cc(c1)Cl)O 62a_100016084084_100010068924 [0,2,0,0,0,0|2,0,0]=4 8043 B13R1.2874 C[C@H](CO)Sc1cc(cc(c1)F)F 62a_100000233788_100016084084 [0,2,0,0,0,0|2,0,0]=4 8044 B13R1.2874 C[C@H](CO)Sc1cc(cc(c1)F)F 62a_100016084084_100000233788 [0,2,0,0,0,0|2,0,0]=4 8045 B13R1.2874 C[C@H](CO)Sc1cc(cc(c1)F)N 62a_100011356972_100016084084 [0,2,0,0,0,0|2,0,0]=4 8046 B13R1.2874 C[C@H](CO)Sc1cc(cc(c1)F)N 62a_100016084084_100011356972 [0,2,0,0,0,0|2,0,0]=4 8047 B13R1.2874 C[C@H](CO)Sc1cc(cc(c1)F)O 62a_100000688818_100016084084 [0,2,0,0,0,0|2,0,0]=4 8048 B13R1.2874 C[C@H](CO)Sc1cc(cc(c1)F)O 62a_100016084084_100000688818 [0,2,0,0,0,0|2,0,0]=4 8049 B13R1.2874 C[C@H](CO)Sc1cc(cc(c1)N)N 62a_100011999608_100016084084 [0,2,0,0,0,0|2,0,0]=4 8050 B13R1.2874 C[C@H](CO)Sc1cc(cc(c1)N)N 62a_100016084084_100011999608 [0,2,0,0,0,0|2,0,0]=4 8051 B13R1.2874 C[C@H](CO)Sc1cc(cc(c1)O)O 62a_100016084084_100009868816 [0,2,0,0,0,0|2,0,0]=4 8052 B13R1.2874 Cc1cc(cc(c1)CC(=O)CO)Br 1458a_100000210174_100012348363 [0,2,0,0,0,0|1,0,1]=4 8053 B13R1.2874 Cc1cc(cc(c1)CC(=O)CO)C 1458a_100000210174_100000181317 [0,2,0,0,0,0|1,0,1]=4 8054 B13R1.2874 Cc1cc(cc(c1)CC(=O)CO)F 1458a_100000210174_100011219130 [0,2,0,0,0,0|1,0,1]=4 8055 B13R1.2874 Cc1cc(cc(c1)NC(C)CO)Br 34a_100000695972_100012180447 [0,2,0,0,0,0|2,0,0]=4 8056 B13R1.2874 Cc1cc(cc(c1)NC(C)CO)Br 7a_100000695972_100012180447 [0,2,0,0,0,0|2,0,0]=4 8057 B13R1.2874 Cc1cc(cc(c1)NC(C)CO)C 2230a_100000210930_100012180447 [0,2,0,0,0,0|2,0,0]=4 8058 B13R1.2874 Cc1cc(cc(c1)NC(C)CO)C 34a_100000210930_100012180447 [0,2,0,0,0,0|2,0,0]=4 8059 B13R1.2874 Cc1cc(cc(c1)NC(C)CO)C 7a_100000210930_100012180447 [0,2,0,0,0,0|2,0,0]=4 8060 B13R1.2874 Cc1cc(cc(c1)NC(C)CO)Cl 2230a_100012022512_100012180447 [0,2,0,0,0,0|2,0,0]=4 8061 B13R1.2874 Cc1cc(cc(c1)NC(C)CO)Cl 34a_100012022512_100012180447 [0,2,0,0,0,0|2,0,0]=4 8062 B13R1.2874 Cc1cc(cc(c1)NC(C)CO)Cl 7a_100012022512_100012180447 [0,2,0,0,0,0|2,0,0]=4 8063 B13R1.2874 Cc1cc(cc(c1)NC(C)CO)F 2230a_100000742734_100012180447 [0,2,0,0,0,0|2,0,0]=4 8064 B13R1.2874 Cc1cc(cc(c1)NC(C)CO)F 34a_100000742734_100012180447 [0,2,0,0,0,0|2,0,0]=4 8065 B13R1.2874 Cc1cc(cc(c1)NC(C)CO)F 7a_100000742734_100012180447 [0,2,0,0,0,0|2,0,0]=4 8066 B13R1.2874 Cc1cc(cc(c1)NC(C)CO)O 34a_100011995906_100012180447 [0,2,0,0,0,0|2,0,0]=4 8067 B13R1.2874 Cc1cc(cc(c1)NC(C)CO)O 7a_100011995906_100012180447 [0,2,0,0,0,0|2,0,0]=4 8068 B13R1.2874 Cc1cc(cc(c1)OC(C)CO)Br 34a_100011999630_100012180447 [0,2,0,0,0,0|2,0,0]=4 8069 B13R1.2874 Cc1cc(cc(c1)OC(C)CO)Br 7a_100011999630_100012180447 [0,2,0,0,0,0|2,0,0]=4 8070 B13R1.2874 Cc1cc(cc(c1)OC(C)CO)C 34a_100000210933_100012180447 [0,2,0,0,0,0|2,0,0]=4 8071 B13R1.2874 Cc1cc(cc(c1)OC(C)CO)C 7a_100000210933_100012180447 [0,2,0,0,0,0|2,0,0]=4 8072 B13R1.2874 Cc1cc(cc(c1)OC(C)CO)Cl 34a_100000087485_100012180447 [0,2,0,0,0,0|2,0,0]=4 8073 B13R1.2874 Cc1cc(cc(c1)OC(C)CO)Cl 7a_100000087485_100012180447 [0,2,0,0,0,0|2,0,0]=4 8074 B13R1.2874 Cc1cc(cc(c1)OC(C)CO)F 34a_100011830401_100012180447 [0,2,0,0,0,0|2,0,0]=4 8075 B13R1.2874 Cc1cc(cc(c1)OC(C)CO)F 7a_100011830401_100012180447 [0,2,0,0,0,0|2,0,0]=4 8076 B13R1.2874 Cc1cc(cc(c1)OC(C)CO)N 34a_100011995906_100012180447 [0,2,0,0,0,0|2,0,0]=4 8077 B13R1.2874 Cc1cc(cc(c1)OC(C)CO)N 7a_100011995906_100012180447 [0,2,0,0,0,0|2,0,0]=4 8078 B13R1.2874 Cc1cc(cc(c1)SC(C)CO)C 62a_100012180447_100011215608 [0,2,0,0,0,0|2,0,0]=4 8079 B13R1.2874 Cc1cc(cc(c1)SC(C)CO)Cl 62a_100012180447_100010172791 [0,2,0,0,0,0|2,0,0]=4 8080 B13R1.2874 Cc1cc(cc(c1)SC(C)CO)F 62a_100012180447_100011356977 [0,2,0,0,0,0|2,0,0]=4 8081 B13R1.2874 Cc1cc(cc(c1)SC(C)CO)N 62a_100012180447_100000695972 [0,2,0,0,0,0|2,0,0]=4 8082 B13R1.2874 Cc1cc(cc(c1)SC(C)CO)O 62a_100012180447_100011999630 [0,2,0,0,0,0|2,0,0]=4 8083 B13R1.2874 Cc1cc(cc(c1)S[C@H](C)CO)C 62a_100011215608_100016084084 [0,2,0,0,0,0|2,0,0]=4 8084 B13R1.2874 Cc1cc(cc(c1)S[C@H](C)CO)C 62a_100016084084_100011215608 [0,2,0,0,0,0|2,0,0]=4 8085 B13R1.2874 Cc1cc(cc(c1)S[C@H](C)CO)Cl 62a_100010172791_100016084084 [0,2,0,0,0,0|2,0,0]=4 8086 B13R1.2874 Cc1cc(cc(c1)S[C@H](C)CO)Cl 62a_100016084084_100010172791 [0,2,0,0,0,0|2,0,0]=4 8087 B13R1.2874 Cc1cc(cc(c1)S[C@H](C)CO)F 62a_100011356977_100016084084 [0,2,0,0,0,0|2,0,0]=4 8088 B13R1.2874 Cc1cc(cc(c1)S[C@H](C)CO)F 62a_100016084084_100011356977 [0,2,0,0,0,0|2,0,0]=4 8089 B13R1.2874 Cc1cc(cc(c1)S[C@H](C)CO)N 62a_100000695972_100016084084 [0,2,0,0,0,0|2,0,0]=4 8090 B13R1.2874 Cc1cc(cc(c1)S[C@H](C)CO)N 62a_100016084084_100000695972 [0,2,0,0,0,0|2,0,0]=4 8091 B13R1.2874 Cc1cc(cc(c1)S[C@H](C)CO)O 62a_100016084084_100011999630 [0,2,0,0,0,0|2,0,0]=4 8092 B13R1.2874 O=C(CO)Cc1cc(cc(c1)Br)Br 1458a_100000210174_100011216082 [0,2,0,0,0,0|1,0,1]=4 8093 B13R1.2874 O=C(CO)Cc1cc(cc(c1)Br)F 1458a_100000210174_100000766940 [0,2,0,0,0,0|1,0,1]=4 8094 B13R1.2874 O=C(CO)Cc1cc(cc(c1)Cl)Cl 1458a_100000210174_100011219208 [0,2,0,0,0,0|1,0,1]=4 8095 B13R1.2874 O=C(CO)Cc1cc(cc(c1)Cl)F 1458a_100000210174_100011219885 [0,2,0,0,0,0|1,0,1]=4 8096 B13R1.2874 O=C(CO)Cc1cc(cc(c1)F)F 1458a_100000210174_100000697002 [0,2,0,0,0,0|1,0,1]=4 8097 B13R1.2874 O=C(CO)Cc1cc(cc(c1)I)Br 1458a_100000210174_100010146614 [0,2,0,0,0,0|1,0,1]=4 8098 B13R1.2874 O=C(CO)Cc1cc(cc(c1)I)F 1458a_100000210174_100010149605 [0,2,0,0,0,0|1,0,1]=4 8099 B13R1.335 CNC(CO)Cc1ccccc1Cl 2230a_100012001541_200000210301 [0,2,0,0,0,0|0,0,0]=2 8100 B13R1.335 CNC(CO)Cc1ccccc1Cl 34a_100012001541_200000210301 [0,2,0,0,0,0|0,0,0]=2 8101 B13R1.335 [13CH3]NC(CO)Cc1ccccc1Cl 2230a_100012001541_200025704644 [0,2,0,0,0,0|0,0,0]=2 8102 B13R1.335 [13CH3]NC(CO)Cc1ccccc1Cl 34a_100012001541_200025704644 [0,2,0,0,0,0|0,0,0]=2 8103 B13R1.3080 CCC(C)(Cc1ccccc1)OC 7a_100011346069_200000210301 [0,2,0,0,0,0|2,0,0]=4 8104 B13R1.3080 CCC(C)(Cc1ccccc1)O[13CH3] 7a_100011346069_200025704644 [0,2,0,0,0,0|2,0,0]=4 8105 B13R1.275 Cc1ccccc1SC(F)(F)CO 62a_100000210755_100011217949 [0,2,0,0,0,0|2,0,0]=4 8106 B13R1.275 Cc1ccccc1SC(F)(F)CO 62a_100011217949_100000210755 [0,2,0,0,0,0|2,0,0]=4 8107 B13R1.275 Nc1ccccc1SC(F)(F)CO 62a_100000210017_100011217949 [0,2,0,0,0,0|2,0,0]=4 8108 B13R1.275 Nc1ccccc1SC(F)(F)CO 62a_100011217949_100000210017 [0,2,0,0,0,0|2,0,0]=4 8109 B13R1.275 OCC(F)(F)Sc1ccccc1Br 62a_100000695589_100011217949 [0,2,0,0,0,0|2,0,0]=4 8110 B13R1.275 OCC(F)(F)Sc1ccccc1Br 62a_100011217949_100000695589 [0,2,0,0,0,0|2,0,0]=4 8111 B13R1.275 OCC(F)(F)Sc1ccccc1Cl 62a_100000764095_100011217949 [0,2,0,0,0,0|2,0,0]=4 8112 B13R1.275 OCC(F)(F)Sc1ccccc1Cl 62a_100011217949_100000764095 [0,2,0,0,0,0|2,0,0]=4 8113 B13R1.275 OCC(F)(F)Sc1ccccc1F 62a_100011215700_100011217949 [0,2,0,0,0,0|2,0,0]=4 8114 B13R1.275 OCC(F)(F)Sc1ccccc1F 62a_100011217949_100011215700 [0,2,0,0,0,0|2,0,0]=4 8115 B13R1.275 OCC(F)(F)Sc1ccccc1O 62a_100000739446_100011217949 [0,2,0,0,0,0|2,0,0]=4 8116 B13R1.275 OCC(F)(F)Sc1ccccc1O 62a_100011217949_100000739446 [0,2,0,0,0,0|2,0,0]=4 8117 B13R1.91 C#Cc1ccccc1NC(C)CO 34a_100011470550_100012180447 [0,2,0,0,0,0|2,0,0]=4 8118 B13R1.91 C#Cc1ccccc1OC(C)CO 34a_200011470546_100012180447 [0,2,0,0,0,0|2,0,0]=4 8119 B13R1.91 C#Cc1ccccc1OC(C)CO 7a_200011470546_100012180447 [0,2,0,0,0,0|2,0,0]=4 8120 B13R1.91 C=Cc1ccccc1NC(C)CO 34a_100012022501_100012180447 [0,2,0,0,0,0|2,0,0]=4 8121 B13R1.91 C=Cc1ccccc1SC(C)CO 62a_100012180447_100011218376 [0,2,0,0,0,0|2,0,0]=4 8122 B13R1.91 C=Cc1ccccc1S[C@H](C)CO 62a_100011218376_100016084084 [0,2,0,0,0,0|2,0,0]=4 8123 B13R1.91 C=Cc1ccccc1S[C@H](C)CO 62a_100016084084_100011218376 [0,2,0,0,0,0|2,0,0]=4 8124 B13R1.91 CC(CO)Nc1ccccc1C#N 34a_100000211148_100012180447 [0,2,0,0,0,0|2,0,0]=4 8125 B13R1.91 CC(CO)Nc1ccccc1CO 34a_100000212039_100012180447 [0,2,0,0,0,0|2,0,0]=4 8126 B13R1.91 CC(CO)Oc1ccccc1C#N 34a_100000211048_100012180447 [0,2,0,0,0,0|2,0,0]=4 8127 B13R1.91 CC(CO)Oc1ccccc1C#N 7a_100000211048_100012180447 [0,2,0,0,0,0|2,0,0]=4 8128 B13R1.91 CC(CO)Oc1ccccc1CN 34a_100000185550_100012180447 [0,2,0,0,0,0|2,0,0]=4 8129 B13R1.91 CC(CO)Oc1ccccc1CO 34a_100011216872_100012180447 [0,2,0,0,0,0|2,0,0]=4 8130 B13R1.91 CC(CO)Sc1ccccc1C#N 62a_100012180447_100000188569 [0,2,0,0,0,0|2,0,0]=4 8131 B13R1.91 CC(CO)Sc1ccccc1C=O 62a_100012180447_100000210073 [0,2,0,0,0,0|2,0,0]=4 8132 B13R1.91 CC(CO)Sc1ccccc1CN 62a_100012180447_100000689332 [0,2,0,0,0,0|2,0,0]=4 8133 B13R1.91 CC(CO)Sc1ccccc1CO 62a_100012180447_100000187465 [0,2,0,0,0,0|2,0,0]=4 8134 B13R1.91 CC(CO)Sc1ccccc1NN 62a_100012180447_100000241748 [0,2,0,0,0,0|2,0,0]=4 8135 B13R1.91 CCc1ccccc1NC(C)CO 2230a_100000212081_100012180447 [0,2,0,0,0,0|2,0,0]=4 8136 B13R1.91 CCc1ccccc1NC(C)CO 34a_100000212081_100012180447 [0,2,0,0,0,0|2,0,0]=4 8137 B13R1.91 CCc1ccccc1NC(C)CO 7a_100000212081_100012180447 [0,2,0,0,0,0|2,0,0]=4 8138 B13R1.91 CCc1ccccc1OC(C)CO 34a_100000210936_100012180447 [0,2,0,0,0,0|2,0,0]=4 8139 B13R1.91 CCc1ccccc1OC(C)CO 7a_100000210936_100012180447 [0,2,0,0,0,0|2,0,0]=4 8140 B13R1.91 CCc1ccccc1SC(C)CO 62a_100012180447_100011215823 [0,2,0,0,0,0|2,0,0]=4 8141 B13R1.91 CCc1ccccc1S[C@H](C)CO 62a_100011215823_100016084084 [0,2,0,0,0,0|2,0,0]=4 8142 B13R1.91 CCc1ccccc1S[C@H](C)CO 62a_100016084084_100011215823 [0,2,0,0,0,0|2,0,0]=4 8143 B13R1.91 CNc1ccccc1OC(C)CO 34a_100000033821_100012180447 [0,2,0,0,0,0|2,0,0]=4 8144 B13R1.91 CNc1ccccc1SC(C)CO 62a_100012180447_100020606079 [0,2,0,0,0,0|2,0,0]=4 8145 B13R1.91 CNc1ccccc1S[C@H](C)CO 62a_100016084084_100020606079 [0,2,0,0,0,0|2,0,0]=4 8146 B13R1.91 CNc1ccccc1S[C@H](C)CO 62a_100020606079_100016084084 [0,2,0,0,0,0|2,0,0]=4 8147 B13R1.91 COc1ccccc1CC(=O)CO 1458a_100000210174_100000210004 [0,2,0,0,0,0|1,0,1]=4 8148 B13R1.91 COc1ccccc1NC(C)CO 34a_100000210025_100012180447 [0,2,0,0,0,0|2,0,0]=4 8149 B13R1.91 COc1ccccc1OC(C)CO 34a_100000210385_100012180447 [0,2,0,0,0,0|2,0,0]=4 8150 B13R1.91 COc1ccccc1SC(C)CO 62a_100012180447_100000210334 [0,2,0,0,0,0|2,0,0]=4 8151 B13R1.91 COc1ccccc1S[C@H](C)CO 62a_100000210334_100016084084 [0,2,0,0,0,0|2,0,0]=4 8152 B13R1.91 COc1ccccc1S[C@H](C)CO 62a_100016084084_100000210334 [0,2,0,0,0,0|2,0,0]=4 8153 B13R1.91 CSc1ccccc1CC(=O)CO 1458a_100000210174_100000699184 [0,2,0,0,0,0|1,0,1]=4 8154 B13R1.91 CSc1ccccc1NC(C)CO 34a_100000211160_100012180447 [0,2,0,0,0,0|2,0,0]=4 8155 B13R1.91 CSc1ccccc1OC(C)CO 34a_100011216402_100012180447 [0,2,0,0,0,0|2,0,0]=4 8156 B13R1.91 CSc1ccccc1SC(C)CO 62a_100012180447_100011217816 [0,2,0,0,0,0|2,0,0]=4 8157 B13R1.91 CSc1ccccc1S[C@H](C)CO 62a_100011217816_100016084084 [0,2,0,0,0,0|2,0,0]=4 8158 B13R1.91 CSc1ccccc1S[C@H](C)CO 62a_100016084084_100011217816 [0,2,0,0,0,0|2,0,0]=4 8159 B13R1.91 C[C@H](CO)Sc1ccccc1C#N 62a_100016084084_100000188569 [0,2,0,0,0,0|2,0,0]=4 8160 B13R1.91 C[C@H](CO)Sc1ccccc1C=O 62a_100000210073_100016084084 [0,2,0,0,0,0|2,0,0]=4 8161 B13R1.91 C[C@H](CO)Sc1ccccc1C=O 62a_100016084084_100000210073 [0,2,0,0,0,0|2,0,0]=4 8162 B13R1.91 C[C@H](CO)Sc1ccccc1CN 62a_100000689332_100016084084 [0,2,0,0,0,0|2,0,0]=4 8163 B13R1.91 C[C@H](CO)Sc1ccccc1CN 62a_100016084084_100000689332 [0,2,0,0,0,0|2,0,0]=4 8164 B13R1.91 C[C@H](CO)Sc1ccccc1CO 62a_100000187465_100016084084 [0,2,0,0,0,0|2,0,0]=4 8165 B13R1.91 C[C@H](CO)Sc1ccccc1CO 62a_100016084084_100000187465 [0,2,0,0,0,0|2,0,0]=4 8166 B13R1.91 C[C@H](CO)Sc1ccccc1NN 62a_100000241748_100016084084 [0,2,0,0,0,0|2,0,0]=4 8167 B13R1.91 C[C@H](CO)Sc1ccccc1NN 62a_100016084084_100000241748 [0,2,0,0,0,0|2,0,0]=4 8168 B13R1.91 N#Cc1ccccc1CC(=O)CO 1458a_100000210174_100000181865 [0,2,0,0,0,0|1,0,1]=4 8169 B13R1.91 O=C(CO)Cc1ccccc1CO 1458a_100000210174_100009816955 [0,2,0,0,0,0|1,0,1]=4 8170 B13R1.91 O=Cc1ccccc1CC(=O)CO 1458a_100000210174_200009853537 [0,2,0,0,0,0|1,0,1]=4 8171 B13R1.4928 CC(CO)Nc1c(cccc1Br)Br 34a_100000690995_100012180447 [0,2,0,0,0,0|2,0,0]=4 8172 B13R1.4928 CC(CO)Nc1c(cccc1Br)Cl 34a_100102946385_100012180447 [0,2,0,0,0,0|2,0,0]=4 8173 B13R1.4928 CC(CO)Nc1c(cccc1Br)F 34a_100000684712_100012180447 [0,2,0,0,0,0|2,0,0]=4 8174 B13R1.4928 CC(CO)Nc1c(cccc1Br)O 34a_100011934926_100012180447 [0,2,0,0,0,0|2,0,0]=4 8175 B13R1.4928 CC(CO)Nc1c(cccc1Cl)Cl 34a_100000210028_100012180447 [0,2,0,0,0,0|2,0,0]=4 8176 B13R1.4928 CC(CO)Nc1c(cccc1Cl)F 34a_100000760031_100012180447 [0,2,0,0,0,0|2,0,0]=4 8177 B13R1.4928 CC(CO)Nc1c(cccc1Cl)O 34a_100012022510_100012180447 [0,2,0,0,0,0|2,0,0]=4 8178 B13R1.4928 CC(CO)Nc1c(cccc1F)F 2230a_100000210704_100012180447 [0,2,0,0,0,0|2,0,0]=4 8179 B13R1.4928 CC(CO)Nc1c(cccc1F)F 34a_100000210704_100012180447 [0,2,0,0,0,0|2,0,0]=4 8180 B13R1.4928 CC(CO)Nc1c(cccc1F)O 34a_100020591140_100012180447 [0,2,0,0,0,0|2,0,0]=4 8181 B13R1.4928 CC(CO)Nc1c(cccc1I)F 34a_100000042321_100012180447 [0,2,0,0,0,0|2,0,0]=4 8182 B13R1.4928 CC(CO)Oc1c(cccc1Br)Br 34a_100000736428_100012180447 [0,2,0,0,0,0|2,0,0]=4 8183 B13R1.4928 CC(CO)Oc1c(cccc1Br)Br 7a_100000736428_100012180447 [0,2,0,0,0,0|2,0,0]=4 8184 B13R1.4928 CC(CO)Oc1c(cccc1Br)Cl 34a_100010214474_100012180447 [0,2,0,0,0,0|2,0,0]=4 8185 B13R1.4928 CC(CO)Oc1c(cccc1Br)Cl 7a_100010214474_100012180447 [0,2,0,0,0,0|2,0,0]=4 8186 B13R1.4928 CC(CO)Oc1c(cccc1Br)F 34a_100009813666_100012180447 [0,2,0,0,0,0|2,0,0]=4 8187 B13R1.4928 CC(CO)Oc1c(cccc1Br)F 7a_100009813666_100012180447 [0,2,0,0,0,0|2,0,0]=4 8188 B13R1.4928 CC(CO)Oc1c(cccc1Br)N 34a_100011934915_100012180447 [0,2,0,0,0,0|2,0,0]=4 8189 B13R1.4928 CC(CO)Oc1c(cccc1Cl)Cl 34a_100000211709_100012180447 [0,2,0,0,0,0|2,0,0]=4 8190 B13R1.4928 CC(CO)Oc1c(cccc1Cl)Cl 7a_100000211709_100012180447 [0,2,0,0,0,0|2,0,0]=4 8191 B13R1.4928 CC(CO)Oc1c(cccc1Cl)F 34a_100000694953_100012180447 [0,2,0,0,0,0|2,0,0]=4 8192 B13R1.4928 CC(CO)Oc1c(cccc1Cl)F 7a_100000694953_100012180447 [0,2,0,0,0,0|2,0,0]=4 8193 B13R1.4928 CC(CO)Oc1c(cccc1Cl)N 34a_100000754742_100012180447 [0,2,0,0,0,0|2,0,0]=4 8194 B13R1.4928 CC(CO)Oc1c(cccc1F)F 34a_100000230165_100012180447 [0,2,0,0,0,0|2,0,0]=4 8195 B13R1.4928 CC(CO)Oc1c(cccc1F)F 7a_100000230165_100012180447 [0,2,0,0,0,0|2,0,0]=4 8196 B13R1.4928 CC(CO)Oc1c(cccc1F)N 34a_100011934987_100012180447 [0,2,0,0,0,0|2,0,0]=4 8197 B13R1.4928 CC(CO)Oc1c(cccc1I)Br 34a_100010084509_100012180447 [0,2,0,0,0,0|2,0,0]=4 8198 B13R1.4928 CC(CO)Oc1c(cccc1I)Br 7a_100010084509_100012180447 [0,2,0,0,0,0|2,0,0]=4 8199 B13R1.4928 CC(CO)Oc1c(cccc1I)Cl 34a_100010202889_100012180447 [0,2,0,0,0,0|2,0,0]=4 8200 B13R1.4928 CC(CO)Oc1c(cccc1I)Cl 7a_100010202889_100012180447 [0,2,0,0,0,0|2,0,0]=4 8201 B13R1.4928 CC(CO)Oc1c(cccc1I)F 34a_100010186298_100012180447 [0,2,0,0,0,0|2,0,0]=4 8202 B13R1.4928 CC(CO)Oc1c(cccc1I)F 7a_100010186298_100012180447 [0,2,0,0,0,0|2,0,0]=4 8203 B13R1.4928 CC(CO)Oc1c(cccc1I)N 34a_100010084371_100012180447 [0,2,0,0,0,0|2,0,0]=4 8204 B13R1.4928 CC(CO)Oc1c(cccc1N)N 34a_200016994477_100012180447 [0,2,0,0,0,0|2,0,0]=4 8205 B13R1.4928 CC(CO)Sc1c(cccc1Br)Br 62a_100012180447_100009994525 [0,2,0,0,0,0|2,0,0]=4 8206 B13R1.4928 CC(CO)Sc1c(cccc1Br)Cl 62a_100012180447_100010214488 [0,2,0,0,0,0|2,0,0]=4 8207 B13R1.4928 CC(CO)Sc1c(cccc1Br)F 62a_100012180447_100011219512 [0,2,0,0,0,0|2,0,0]=4 8208 B13R1.4928 CC(CO)Sc1c(cccc1Br)N 62a_100012180447_100020590159 [0,2,0,0,0,0|2,0,0]=4 8209 B13R1.4928 CC(CO)Sc1c(cccc1Br)O 62a_100012180447_100010187912 [0,2,0,0,0,0|2,0,0]=4 8210 B13R1.4928 CC(CO)Sc1c(cccc1Cl)Cl 62a_100012180447_100000034237 [0,2,0,0,0,0|2,0,0]=4 8211 B13R1.4928 CC(CO)Sc1c(cccc1Cl)F 62a_100012180447_100000050007 [0,2,0,0,0,0|2,0,0]=4 8212 B13R1.4928 CC(CO)Sc1c(cccc1Cl)N 62a_100012180447_100000049713 [0,2,0,0,0,0|2,0,0]=4 8213 B13R1.4928 CC(CO)Sc1c(cccc1Cl)O 62a_100012180447_100000050174 [0,2,0,0,0,0|2,0,0]=4 8214 B13R1.4928 CC(CO)Sc1c(cccc1F)F 62a_100012180447_100000693133 [0,2,0,0,0,0|2,0,0]=4 8215 B13R1.4928 CC(CO)Sc1c(cccc1F)N 62a_100012180447_100000690935 [0,2,0,0,0,0|2,0,0]=4 8216 B13R1.4928 CC(CO)Sc1c(cccc1F)O 62a_100012180447_100009820682 [0,2,0,0,0,0|2,0,0]=4 8217 B13R1.4928 CC(CO)Sc1c(cccc1O)N 62a_100012180447_100012183704 [0,2,0,0,0,0|2,0,0]=4 8218 B13R1.4928 CC(CO)Sc1c(cccc1O)O 62a_100012180447_100010205330 [0,2,0,0,0,0|2,0,0]=4 8219 B13R1.4928 C[C@H](CO)Sc1c(cccc1Br)Br 62a_100009994525_100016084084 [0,2,0,0,0,0|2,0,0]=4 8220 B13R1.4928 C[C@H](CO)Sc1c(cccc1Br)Br 62a_100016084084_100009994525 [0,2,0,0,0,0|2,0,0]=4 8221 B13R1.4928 C[C@H](CO)Sc1c(cccc1Br)Cl 62a_100010214488_100016084084 [0,2,0,0,0,0|2,0,0]=4 8222 B13R1.4928 C[C@H](CO)Sc1c(cccc1Br)Cl 62a_100016084084_100010214488 [0,2,0,0,0,0|2,0,0]=4 8223 B13R1.4928 C[C@H](CO)Sc1c(cccc1Br)F 62a_100011219512_100016084084 [0,2,0,0,0,0|2,0,0]=4 8224 B13R1.4928 C[C@H](CO)Sc1c(cccc1Br)F 62a_100016084084_100011219512 [0,2,0,0,0,0|2,0,0]=4 8225 B13R1.4928 C[C@H](CO)Sc1c(cccc1Br)N 62a_100016084084_100020590159 [0,2,0,0,0,0|2,0,0]=4 8226 B13R1.4928 C[C@H](CO)Sc1c(cccc1Br)N 62a_100020590159_100016084084 [0,2,0,0,0,0|2,0,0]=4 8227 B13R1.4928 C[C@H](CO)Sc1c(cccc1Br)O 62a_100010187912_100016084084 [0,2,0,0,0,0|2,0,0]=4 8228 B13R1.4928 C[C@H](CO)Sc1c(cccc1Br)O 62a_100016084084_100010187912 [0,2,0,0,0,0|2,0,0]=4 8229 B13R1.4928 C[C@H](CO)Sc1c(cccc1Cl)Cl 62a_100000034237_100016084084 [0,2,0,0,0,0|2,0,0]=4 8230 B13R1.4928 C[C@H](CO)Sc1c(cccc1Cl)Cl 62a_100016084084_100000034237 [0,2,0,0,0,0|2,0,0]=4 8231 B13R1.4928 C[C@H](CO)Sc1c(cccc1Cl)F 62a_100000050007_100016084084 [0,2,0,0,0,0|2,0,0]=4 8232 B13R1.4928 C[C@H](CO)Sc1c(cccc1Cl)F 62a_100016084084_100000050007 [0,2,0,0,0,0|2,0,0]=4 8233 B13R1.4928 C[C@H](CO)Sc1c(cccc1Cl)N 62a_100000049713_100016084084 [0,2,0,0,0,0|2,0,0]=4 8234 B13R1.4928 C[C@H](CO)Sc1c(cccc1Cl)N 62a_100016084084_100000049713 [0,2,0,0,0,0|2,0,0]=4 8235 B13R1.4928 C[C@H](CO)Sc1c(cccc1Cl)O 62a_100016084084_100000050174 [0,2,0,0,0,0|2,0,0]=4 8236 B13R1.4928 C[C@H](CO)Sc1c(cccc1F)F 62a_100000693133_100016084084 [0,2,0,0,0,0|2,0,0]=4 8237 B13R1.4928 C[C@H](CO)Sc1c(cccc1F)F 62a_100016084084_100000693133 [0,2,0,0,0,0|2,0,0]=4 8238 B13R1.4928 C[C@H](CO)Sc1c(cccc1F)N 62a_100000690935_100016084084 [0,2,0,0,0,0|2,0,0]=4 8239 B13R1.4928 C[C@H](CO)Sc1c(cccc1F)N 62a_100016084084_100000690935 [0,2,0,0,0,0|2,0,0]=4 8240 B13R1.4928 C[C@H](CO)Sc1c(cccc1F)O 62a_100009820682_100016084084 [0,2,0,0,0,0|2,0,0]=4 8241 B13R1.4928 C[C@H](CO)Sc1c(cccc1F)O 62a_100016084084_100009820682 [0,2,0,0,0,0|2,0,0]=4 8242 B13R1.4928 C[C@H](CO)Sc1c(cccc1O)N 62a_100012183704_100016084084 [0,2,0,0,0,0|2,0,0]=4 8243 B13R1.4928 C[C@H](CO)Sc1c(cccc1O)N 62a_100016084084_100012183704 [0,2,0,0,0,0|2,0,0]=4 8244 B13R1.4928 C[C@H](CO)Sc1c(cccc1O)O 62a_100016084084_100010205330 [0,2,0,0,0,0|2,0,0]=4 8245 B13R1.4928 Cc1cccc(c1CC(=O)CO)Br 1458a_100000210174_100010146847 [0,2,0,0,0,0|1,0,1]=4 8246 B13R1.4928 Cc1cccc(c1CC(=O)CO)C 1458a_100000210174_100000758300 [0,2,0,0,0,0|1,0,1]=4 8247 B13R1.4928 Cc1cccc(c1CC(=O)CO)F 1458a_100000210174_100009814554 [0,2,0,0,0,0|1,0,1]=4 8248 B13R1.4928 Cc1cccc(c1CC(=O)CO)I 1458a_100000210174_100010150146 [0,2,0,0,0,0|1,0,1]=4 8249 B13R1.4928 Cc1cccc(c1NC(C)CO)Br 34a_100011834072_100012180447 [0,2,0,0,0,0|2,0,0]=4 8250 B13R1.4928 Cc1cccc(c1NC(C)CO)C 34a_100000185769_100012180447 [0,2,0,0,0,0|2,0,0]=4 8251 B13R1.4928 Cc1cccc(c1NC(C)CO)Cl 34a_100000756524_100012180447 [0,2,0,0,0,0|2,0,0]=4 8252 B13R1.4928 Cc1cccc(c1NC(C)CO)F 34a_100000766463_100012180447 [0,2,0,0,0,0|2,0,0]=4 8253 B13R1.4928 Cc1cccc(c1NC(C)CO)O 34a_100000743429_100012180447 [0,2,0,0,0,0|2,0,0]=4 8254 B13R1.4928 Cc1cccc(c1OC(C)CO)Br 34a_100009817157_100012180447 [0,2,0,0,0,0|2,0,0]=4 8255 B13R1.4928 Cc1cccc(c1OC(C)CO)Br 7a_100009817157_100012180447 [0,2,0,0,0,0|2,0,0]=4 8256 B13R1.4928 Cc1cccc(c1OC(C)CO)C 34a_100000210341_100012180447 [0,2,0,0,0,0|2,0,0]=4 8257 B13R1.4928 Cc1cccc(c1OC(C)CO)C 7a_100000210341_100012180447 [0,2,0,0,0,0|2,0,0]=4 8258 B13R1.4928 Cc1cccc(c1OC(C)CO)Cl 34a_100000033731_100012180447 [0,2,0,0,0,0|2,0,0]=4 8259 B13R1.4928 Cc1cccc(c1OC(C)CO)Cl 7a_100000033731_100012180447 [0,2,0,0,0,0|2,0,0]=4 8260 B13R1.4928 Cc1cccc(c1OC(C)CO)F 34a_100011659162_100012180447 [0,2,0,0,0,0|2,0,0]=4 8261 B13R1.4928 Cc1cccc(c1OC(C)CO)F 7a_100011659162_100012180447 [0,2,0,0,0,0|2,0,0]=4 8262 B13R1.4928 Cc1cccc(c1OC(C)CO)N 34a_100000756359_100012180447 [0,2,0,0,0,0|2,0,0]=4 8263 B13R1.4928 Cc1cccc(c1OC(C)CO)N 7a_100000756359_100012180447 [0,2,0,0,0,0|2,0,0]=4 8264 B13R1.4928 Cc1cccc(c1SC(C)CO)Br 62a_100012180447_100010141302 [0,2,0,0,0,0|2,0,0]=4 8265 B13R1.4928 Cc1cccc(c1SC(C)CO)C 62a_100012180447_100000033847 [0,2,0,0,0,0|2,0,0]=4 8266 B13R1.4928 Cc1cccc(c1SC(C)CO)Cl 62a_100012180447_100000043165 [0,2,0,0,0,0|2,0,0]=4 8267 B13R1.4928 Cc1cccc(c1SC(C)CO)F 62a_100012180447_100011218421 [0,2,0,0,0,0|2,0,0]=4 8268 B13R1.4928 Cc1cccc(c1SC(C)CO)N 62a_100012180447_100000684715 [0,2,0,0,0,0|2,0,0]=4 8269 B13R1.4928 Cc1cccc(c1SC(C)CO)O 62a_100012180447_100000686692 [0,2,0,0,0,0|2,0,0]=4 8270 B13R1.4928 Cc1cccc(c1S[C@H](C)CO)Br 62a_100010141302_100016084084 [0,2,0,0,0,0|2,0,0]=4 8271 B13R1.4928 Cc1cccc(c1S[C@H](C)CO)Br 62a_100016084084_100010141302 [0,2,0,0,0,0|2,0,0]=4 8272 B13R1.4928 Cc1cccc(c1S[C@H](C)CO)C 62a_100000033847_100016084084 [0,2,0,0,0,0|2,0,0]=4 8273 B13R1.4928 Cc1cccc(c1S[C@H](C)CO)C 62a_100016084084_100000033847 [0,2,0,0,0,0|2,0,0]=4 8274 B13R1.4928 Cc1cccc(c1S[C@H](C)CO)Cl 62a_100000043165_100016084084 [0,2,0,0,0,0|2,0,0]=4 8275 B13R1.4928 Cc1cccc(c1S[C@H](C)CO)Cl 62a_100016084084_100000043165 [0,2,0,0,0,0|2,0,0]=4 8276 B13R1.4928 Cc1cccc(c1S[C@H](C)CO)F 62a_100011218421_100016084084 [0,2,0,0,0,0|2,0,0]=4 8277 B13R1.4928 Cc1cccc(c1S[C@H](C)CO)F 62a_100016084084_100011218421 [0,2,0,0,0,0|2,0,0]=4 8278 B13R1.4928 Cc1cccc(c1S[C@H](C)CO)N 62a_100000684715_100016084084 [0,2,0,0,0,0|2,0,0]=4 8279 B13R1.4928 Cc1cccc(c1S[C@H](C)CO)N 62a_100016084084_100000684715 [0,2,0,0,0,0|2,0,0]=4 8280 B13R1.4928 Cc1cccc(c1S[C@H](C)CO)O 62a_100000686692_100016084084 [0,2,0,0,0,0|2,0,0]=4 8281 B13R1.4928 Cc1cccc(c1S[C@H](C)CO)O 62a_100016084084_100000686692 [0,2,0,0,0,0|2,0,0]=4 8282 B13R1.4928 O=C(CO)Cc1c(cccc1Br)Cl 1458a_100000210174_100010138402 [0,2,0,0,0,0|1,0,1]=4 8283 B13R1.4928 O=C(CO)Cc1c(cccc1Br)F 1458a_100000210174_100000696636 [0,2,0,0,0,0|1,0,1]=4 8284 B13R1.4928 O=C(CO)Cc1c(cccc1Cl)Cl 1458a_100000210174_100000187851 [0,2,0,0,0,0|1,0,1]=4 8285 B13R1.4928 O=C(CO)Cc1c(cccc1Cl)F 1458a_100000210174_100000187852 [0,2,0,0,0,0|1,0,1]=4 8286 B13R1.4928 O=C(CO)Cc1c(cccc1F)F 1458a_100000210174_100000698325 [0,2,0,0,0,0|1,0,1]=4 8287 B13R1.4928 O=C(CO)Cc1c(cccc1I)Br 1458a_100000210174_100010146611 [0,2,0,0,0,0|1,0,1]=4 8288 B13R1.4928 O=C(CO)Cc1c(cccc1I)F 1458a_100000210174_100010149602 [0,2,0,0,0,0|1,0,1]=4 8289 B11R1.284 C=CC=CC(=O)CC1COC1 1458a_100016291481_100010264016 [0,0,1,1,0,0|2,0,0]=4 8290 B11R1.345 C=CC=CC(=O)CC1(CO1)C 1458a_100016291481_100000760498 [0,0,1,1,0,0|2,0,0]=4 8291 B11R2.238 c1ccc(cc1)NC2CC2 34a_100000106764_100000211595 [1,0,0,1,0,0|2,0,0]=4 8292 B11R2.238 c1ccc(cc1)OC2CC2 34a_100000210340_100000211595 [1,0,0,1,0,0|2,0,0]=4 8293 B11R2.238 c1ccc(cc1)SC2CC2 62a_100000719477_100000211595 [1,0,0,1,0,0|2,0,0]=4 8294 B11R2.988 CNC1Cc2c1cccc2 7a_106832991635_100009813401 [1,0,0,1,0,0|2,0,0]=4 8295 B11R2.988 CSC1Cc2c1cccc2 62a_100009813401_200000210301 [1,0,0,1,0,0|2,0,0]=4 8296 B11R2.988 CSC1Cc2c1cccc2 62a_200000210301_100009813401 [1,0,0,1,0,0|2,0,0]=4 8297 B11R2.988 [13CH3]SC1Cc2c1cccc2 62a_100009813401_200025704644 [1,0,0,1,0,0|2,0,0]=4 8298 B11R2.988 [13CH3]SC1Cc2c1cccc2 62a_200025704644_100009813401 [1,0,0,1,0,0|2,0,0]=4 8299 B11R2.10 CN1Cc2ccccc2C1 2230a_100000752595_200000210301 [1,0,0,1,0,0|2,0,0]=4 8300 B11R2.10 CN1Cc2ccccc2C1 269982a_100000752595_200000210301 [1,0,0,1,0,0|2,0,0]=4 8301 B11R2.10 CN1Cc2ccccc2C1 34a_100000752595_200000210301 [1,0,0,1,0,0|2,0,0]=4 8302 B11R2.10 Oc1cc2ccccc2[nH]1 271570a_203496583355_100010232065 [1,0,0,1,0,0|0,0,2]=4 8303 B11R2.10 Oc1nc2ccccc2[nH]1 271570a_203496583355_100009814255 [1,0,0,1,0,0|1,0,1]=4 8304 B11R2.10 [13CH3]N1Cc2ccccc2C1 2230a_100000752595_200025704644 [1,0,0,1,0,0|2,0,0]=4 8305 B11R2.10 [13CH3]N1Cc2ccccc2C1 269982a_100000752595_200025704644 [1,0,0,1,0,0|2,0,0]=4 8306 B11R2.10 [13CH3]N1Cc2ccccc2C1 34a_100000752595_200025704644 [1,0,0,1,0,0|2,0,0]=4 8307 B13R2.17 F[C@@H]1C[C@H]1NCc2ccccc2 2230a_100025746932_100015291786 [0,0,0,1,0,1|2,0,0]=4 8308 B13R2.17 F[C@@H]1C[C@H]1NCc2ccccc2 34a_100025746932_100015291786 [0,0,0,1,0,1|2,0,0]=4 8309 B13R2.17 F[C@H]1C[C@H]1NCc2ccccc2 2230a_100015190264_100015291786 [0,0,0,1,0,1|2,0,0]=4 8310 B13R2.27 CC1CCN1Cc2ccccc2 269982a_100000755817_100000211182 [0,0,0,1,0,1|2,0,0]=4 8311 B13R2.27 CC1CCN1Cc2ccccc2 34a_100000755817_100015291786 [0,0,0,1,0,1|2,0,0]=4 8312 B13R2.2383 c1cc(ccn1)CNC2COC2 207a_100016991112_100000186114 [0,0,0,1,0,1|2,0,0]=4 8313 B13R2.2383 c1cc(ccn1)CNC2COC2 2230a_100016991112_100015193705 [0,0,0,1,0,1|2,0,0]=4 8314 B13R2.2383 c1cc(ccn1)CSC2COC2 62a_100015193705_100009818527 [0,0,0,1,0,1|2,0,0]=4 8315 B13R2.2383 c1cc(ccn1)OCC2COC2 34a_100000212176_100010264016 [0,0,0,1,0,1|2,0,0]=4 8316 B13R2.2383 c1cc(ccn1)SCC2COC2 62a_100000728582_100010264016 [0,0,0,1,0,1|2,0,0]=4 8317 B13R2.2383 c1cc(ccn1)SCC2COC2 62a_100010264016_100000728582 [0,0,0,1,0,1|2,0,0]=4 8318 B13R2.2383 c1ccc(cc1)CNC2CCC2 2230a_100000749019_100015291786 [0,0,0,1,0,1|2,0,0]=4 8319 B13R2.2383 c1ccc(cc1)CNC2CCC2 270004a_100015324214_100000241760 [0,0,0,1,0,1|2,0,0]=4 8320 B13R2.2383 c1ccc(cc1)CNC2CCC2 34a_100000749019_100015291786 [0,0,0,1,0,1|2,0,0]=4 8321 B13R2.2383 c1ccc(cc1)CNC2CCC2 34a_100015324214_100000749161 [0,0,0,1,0,1|2,0,0]=4 8322 B13R2.2383 c1ccc(cc1)CNC2COC2 207a_100016991112_100015611070 [0,0,0,1,0,1|1,0,0]=3 8323 B13R2.2383 c1ccc(cc1)CNC2COC2 2230a_100016991112_100015291786 [0,0,0,1,0,1|1,0,0]=3 8324 B13R2.2383 c1ccc(cc1)CNC2COC2 270004a_100016991112_100015611070 [0,0,0,1,0,1|1,0,0]=3 8325 B13R2.2383 c1ccc(cc1)CNC2COC2 34a_100015324214_100009818527 [0,0,0,1,0,1|1,0,0]=3 8326 B13R2.2383 c1ccc(cc1)CNC2CSC2 207a_100016994217_100015611070 [0,0,0,1,0,1|1,1,0]=4 8327 B13R2.2383 c1ccc(cc1)CNC2CSC2 270004a_100016994217_100015611070 [0,0,0,1,0,1|1,1,0]=4 8328 B13R2.2383 c1ccc(cc1)COC2CCC2 34a_100000210790_100000749161 [0,0,0,1,0,1|2,0,0]=4 8329 B13R2.2383 c1ccc(cc1)COC2CCC2 34a_100000748187_100015291786 [0,0,0,1,0,1|2,0,0]=4 8330 B13R2.2383 c1ccc(cc1)COC2COC2 34a_100000210790_100009818527 [0,0,0,1,0,1|1,0,0]=3 8331 B13R2.2383 c1ccc(cc1)COC2COC2 7a_100000210790_100009818527 [0,0,0,1,0,1|1,0,0]=3 8332 B13R2.2383 c1ccc(cc1)COC2CSC2 7a_100000072292_100000211182 [0,0,0,1,0,1|1,1,0]=4 8333 B13R2.2383 c1ccc(cc1)CSC2CCC2 62a_100000211182_100000749161 [0,0,0,1,0,1|2,0,0]=4 8334 B13R2.2383 c1ccc(cc1)CSC2COC2 62a_100000211182_100009818527 [0,0,0,1,0,1|1,0,0]=3 8335 B13R2.2383 c1ccc(cc1)NCC2CCC2 34a_100000106764_100000763275 [0,0,0,1,0,1|2,0,0]=4 8336 B13R2.2383 c1ccc(cc1)NCC2CCO2 34a_100000106764_100000103362 [0,0,0,1,0,1|2,0,0]=4 8337 B13R2.2383 c1ccc(cc1)NCC2COC2 34a_100000106764_100010264016 [0,0,0,1,0,1|1,0,0]=3 8338 B13R2.2383 c1ccc(cc1)OCC2CCC2 34a_100000210340_100000763275 [0,0,0,1,0,1|2,0,0]=4 8339 B13R2.2383 c1ccc(cc1)OCC2CCC2 7a_100000210340_100000763275 [0,0,0,1,0,1|2,0,0]=4 8340 B13R2.2383 c1ccc(cc1)OCC2CCO2 34a_100000210340_100000103362 [0,0,0,1,0,1|2,0,0]=4 8341 B13R2.2383 c1ccc(cc1)OCC2CCO2 7a_100000210340_100000103362 [0,0,0,1,0,1|2,0,0]=4 8342 B13R2.2383 c1ccc(cc1)OCC2COC2 34a_100000210340_100010264016 [0,0,0,1,0,1|1,0,0]=3 8343 B13R2.2383 c1ccc(cc1)OCC2COC2 7a_100000210340_100010264016 [0,0,0,1,0,1|1,0,0]=3 8344 B13R2.2383 c1ccc(cc1)SCC2CCC2 62a_100000719477_100000763275 [0,0,0,1,0,1|2,0,0]=4 8345 B13R2.2383 c1ccc(cc1)SCC2CCC2 62a_100000763275_100000041952 [0,0,0,1,0,1|2,0,0]=4 8346 B13R2.2383 c1ccc(cc1)SCC2CCO2 62a_100000103362_100000041952 [0,0,0,1,0,1|2,0,0]=4 8347 B13R2.2383 c1ccc(cc1)SCC2CCO2 62a_100000719477_100000103362 [0,0,0,1,0,1|2,0,0]=4 8348 B13R2.2383 c1ccc(cc1)SCC2COC2 62a_100000719477_100010264016 [0,0,0,1,0,1|1,0,0]=3 8349 B13R2.2383 c1ccc(cc1)SCC2COC2 62a_100010264016_100000041952 [0,0,0,1,0,1|1,0,0]=3 8350 B13R2.2383 c1ccc(nc1)CNC2COC2 207a_100016991112_100000209966 [0,0,0,1,0,1|2,0,0]=4 8351 B13R2.2383 c1ccc(nc1)CNC2COC2 2230a_100016991112_100000721315 [0,0,0,1,0,1|2,0,0]=4 8352 B13R2.2383 c1ccc(nc1)CNC2COC2 270004a_100016991112_100000209966 [0,0,0,1,0,1|2,0,0]=4 8353 B13R2.2383 c1ccc(nc1)CSC2COC2 62a_100000721315_100009818527 [0,0,0,1,0,1|2,0,0]=4 8354 B13R2.2383 c1ccc(nc1)SCC2COC2 62a_100010264016_100011216584 [0,0,0,1,0,1|2,0,0]=4 8355 B13R2.2383 c1ccc(nc1)SCC2COC2 62a_100011216584_100010264016 [0,0,0,1,0,1|2,0,0]=4 8356 B13R2.2383 c1cncc(c1)CNC2COC2 207a_100016991112_100000209961 [0,0,0,1,0,1|2,0,0]=4 8357 B13R2.2383 c1cncc(c1)CNC2COC2 2230a_100016991112_100000741622 [0,0,0,1,0,1|2,0,0]=4 8358 B13R2.2383 c1cncc(c1)CNC2COC2 270004a_100016991112_100000209961 [0,0,0,1,0,1|2,0,0]=4 8359 B13R2.2383 c1cncc(c1)CSC2COC2 62a_100000741622_100009818527 [0,0,0,1,0,1|2,0,0]=4 8360 B13R2.2383 c1cncc(c1)OCC2COC2 34a_100000210849_100010264016 [0,0,0,1,0,1|2,0,0]=4 8361 B13R2.2383 c1cncc(c1)OCC2COC2 7a_100000210849_100010264016 [0,0,0,1,0,1|2,0,0]=4 8362 B13R2.2383 c1cncc(c1)SCC2COC2 62a_100000210063_100010264016 [0,0,0,1,0,1|2,0,0]=4 8363 B13R2.2383 c1cncc(c1)SCC2COC2 62a_100010264016_100000210063 [0,0,0,1,0,1|2,0,0]=4 8364 B13R2.3203 CC1(CC1)NCc2ccccc2 207a_100000757604_100015611070 [0,0,0,1,0,1|2,0,0]=4 8365 B13R2.3203 CC1(CC1)NCc2ccccc2 2230a_100000757604_100015291786 [0,0,0,1,0,1|2,0,0]=4 8366 B13R2.3203 CC1(CC1)OCc2ccccc2 7a_100011725673_100000211182 [0,0,0,1,0,1|2,0,0]=4 8367 B13R2.3203 CC1(CO1)CNc2ccccc2 34a_100000106764_100000760498 [0,0,0,1,0,1|1,0,0]=3 8368 B13R2.3203 CC1(CO1)COc2ccccc2 34a_100000210340_100000760498 [0,0,0,1,0,1|1,0,0]=3 8369 B13R2.3203 CC1(CO1)COc2cccnc2 34a_100000210849_100000760498 [0,0,0,1,0,1|2,0,0]=4 8370 B13R2.3203 CC1(CO1)COc2ccncc2 34a_100000212176_100000760498 [0,0,0,1,0,1|2,0,0]=4 8371 B13R2.3203 CC1(CO1)CSc2ccccc2 62a_100000719477_100000760498 [0,0,0,1,0,1|1,0,0]=3 8372 B13R2.3203 CC1(CO1)CSc2ccccc2 62a_100000760498_100000041952 [0,0,0,1,0,1|1,0,0]=3 8373 B13R2.3203 CC1(CO1)CSc2ccccn2 62a_100000760498_100011216584 [0,0,0,1,0,1|2,0,0]=4 8374 B13R2.3203 CC1(CO1)CSc2ccccn2 62a_100011216584_100000760498 [0,0,0,1,0,1|2,0,0]=4 8375 B13R2.3203 CC1(CO1)CSc2cccnc2 62a_100000210063_100000760498 [0,0,0,1,0,1|2,0,0]=4 8376 B13R2.3203 CC1(CO1)CSc2cccnc2 62a_100000760498_100000210063 [0,0,0,1,0,1|2,0,0]=4 8377 B13R2.3203 CC1(CO1)CSc2ccncc2 62a_100000728582_100000760498 [0,0,0,1,0,1|2,0,0]=4 8378 B13R2.3203 CC1(CO1)CSc2ccncc2 62a_100000760498_100000728582 [0,0,0,1,0,1|2,0,0]=4 8379 B13R2.25 CCN[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_100000210202 [0,1,0,1,0,0|2,0,0]=4 8380 B13R2.25 CCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100000210202 [0,1,0,1,0,0|2,0,0]=4 8381 B13R2.25 COCC1CC1c2ccccc2 34a_100011997005_200000210301 [0,1,0,1,0,0|1,0,0]=3 8382 B13R2.25 COCC1CC1c2ccccc2 7a_100011997005_200000210301 [0,1,0,1,0,0|1,0,0]=3 8383 B13R2.25 COCC1OC1c2ccccc2 34a_100000032844_200000210301 [0,1,0,1,0,0|1,0,0]=3 8384 B13R2.25 COCC1OC1c2ccccc2 7a_100000032844_200000210301 [0,1,0,1,0,0|1,0,0]=3 8385 B13R2.25 FCN[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_100015361967 [0,1,0,1,0,0|2,0,0]=4 8386 B13R2.25 [13CH3]OCC1CC1c2ccccc2 34a_100011997005_200025704644 [0,1,0,1,0,0|1,0,0]=3 8387 B13R2.25 [13CH3]OCC1CC1c2ccccc2 7a_100011997005_200025704644 [0,1,0,1,0,0|1,0,0]=3 8388 B13R2.25 [13CH3]OCC1OC1c2ccccc2 34a_100000032844_200025704644 [0,1,0,1,0,0|1,0,0]=3 8389 B13R2.25 [13CH3]OCC1OC1c2ccccc2 7a_100000032844_200025704644 [0,1,0,1,0,0|1,0,0]=3 8390 B13R2.26 CCNC1Cc2ccccc2C1 2230a_100000753258_100000210202 [0,1,0,1,0,0|2,0,0]=4 8391 B13R2.26 CCNC1Cc2ccccc2C1 34a_100000753258_100000210202 [0,1,0,1,0,0|2,0,0]=4 8392 B13R2.26 CCOC1Cc2ccccc2C1 34a_100011215286_100000210202 [0,1,0,1,0,0|2,0,0]=4 8393 B13R2.26 CCOC1Cc2ccccc2C1 34a_100121572206_100000753484 [0,1,0,1,0,0|2,0,0]=4 8394 B13R2.26 CCSC1Cc2ccccc2C1 62a_100000210202_100000753484 [0,1,0,1,0,0|2,0,0]=4 8395 B13R2.26 CNCC1Cc2ccccc2C1 2230a_100000757167_200000210301 [0,1,0,1,0,0|2,0,0]=4 8396 B13R2.26 CNCC1Cc2ccccc2C1 34a_100000757167_200000210301 [0,1,0,1,0,0|2,0,0]=4 8397 B13R2.26 CNCC1Cc2ccccc2O1 2230a_100015207006_200000210301 [0,1,0,1,0,0|2,0,0]=4 8398 B13R2.26 CNCC1Cc2ccccc2O1 34a_100015207006_200000210301 [0,1,0,1,0,0|2,0,0]=4 8399 B13R2.26 COCC1Cc2ccccc2C1 34a_100000720471_200000210301 [0,1,0,1,0,0|1,0,0]=3 8400 B13R2.26 COCC1Cc2ccccc2O1 34a_100011273944_200000210301 [0,1,0,1,0,0|1,0,0]=3 8401 B13R2.26 COCN1Cc2ccccc2C1 2230a_100000752595_100000766300 [0,1,0,1,0,0|2,0,0]=4 8402 B13R2.26 COCN1Cc2ccccc2C1 269982a_100000752595_100000766300 [0,1,0,1,0,0|2,0,0]=4 8403 B13R2.26 COC[C@@H]1Cc2ccccc2N1 34a_100011830367_200000210301 [0,1,0,1,0,0|0,0,0]=2 8404 B13R2.26 FCNC1Cc2ccccc2C1 34a_100000753258_100015361967 [0,1,0,1,0,0|2,0,0]=4 8405 B13R2.26 FCOC1Cc2ccccc2C1 34a_100011215286_100015361967 [0,1,0,1,0,0|2,0,0]=4 8406 B13R2.26 FCSC1Cc2ccccc2C1 62a_100015361967_100000753484 [0,1,0,1,0,0|2,0,0]=4 8407 B13R2.26 OCCN1Cc2ccccc2C1 2230a_100000752595_100000211926 [0,1,0,1,0,0|2,0,0]=4 8408 B13R2.26 OCCN1Cc2ccccc2C1 269982a_100000752595_100000211926 [0,1,0,1,0,0|2,0,0]=4 8409 B13R2.26 OCCN1Cc2ccccc2C1 34a_100000752595_100000211926 [0,1,0,1,0,0|2,0,0]=4 8410 B13R2.26 [13CH3]NCC1Cc2ccccc2C1 2230a_100000757167_200025704644 [0,1,0,1,0,0|2,0,0]=4 8411 B13R2.26 [13CH3]NCC1Cc2ccccc2C1 34a_100000757167_200025704644 [0,1,0,1,0,0|2,0,0]=4 8412 B13R2.26 [13CH3]NCC1Cc2ccccc2O1 2230a_100015207006_200025704644 [0,1,0,1,0,0|2,0,0]=4 8413 B13R2.26 [13CH3]NCC1Cc2ccccc2O1 34a_100015207006_200025704644 [0,1,0,1,0,0|2,0,0]=4 8414 B13R2.26 [13CH3]OCC1Cc2ccccc2C1 34a_100000720471_200025704644 [0,1,0,1,0,0|1,0,0]=3 8415 B13R2.26 [13CH3]OCC1Cc2ccccc2O1 34a_100011273944_200025704644 [0,1,0,1,0,0|1,0,0]=3 8416 B13R2.26 [13CH3]OC[C@@H]1Cc2ccccc2N1 34a_100011830367_200025704644 [0,1,0,1,0,0|0,0,0]=2 8417 B13R2.31 OC1CN(C1)Cc2ccccc2 269982a_100000749847_100000211182 [0,1,0,1,0,0|2,0,0]=4 8418 B13R2.64 c1ccc(cc1)NC2CCOC2 34a_100000106764_100000690089 [0,1,0,1,0,0|2,0,0]=4 8419 B13R2.64 c1ccc(cc1)OC2CCOC2 34a_100000210340_100000690089 [0,1,0,1,0,0|2,0,0]=4 8420 B13R2.64 c1ccc(cc1)OC2CCOC2 7a_100000210340_100000731011 [0,1,0,1,0,0|2,0,0]=4 8421 B13R2.64 c1ccc(cc1)SC2CCOC2 62a_100000719477_100000690089 [0,1,0,1,0,0|2,0,0]=4 8422 B13R2.135 CN[C@H]1c2ccccc2C[C@H]1O 2230a_100000744645_200000210301 [0,1,0,1,0,0|2,0,0]=4 8423 B13R2.135 [13CH3]N[C@H]1c2ccccc2C[C@H]1O 2230a_100000744645_200025704644 [0,1,0,1,0,0|2,0,0]=4 8424 B13R2.163 CN1CCOc2ccccc2C1 2230a_100000744108_200000210301 [0,1,0,1,0,0|2,0,0]=4 8425 B13R2.163 CN1CCOc2ccccc2C1 269982a_100000744108_200000210301 [0,1,0,1,0,0|2,0,0]=4 8426 B13R2.163 CN1CCOc2ccccc2C1 34a_100000744108_200000210301 [0,1,0,1,0,0|2,0,0]=4 8427 B13R2.163 [13CH3]N1CCOc2ccccc2C1 2230a_100000744108_200025704644 [0,1,0,1,0,0|2,0,0]=4 8428 B13R2.163 [13CH3]N1CCOc2ccccc2C1 269982a_100000744108_200025704644 [0,1,0,1,0,0|2,0,0]=4 8429 B13R2.163 [13CH3]N1CCOc2ccccc2C1 34a_100000744108_200025704644 [0,1,0,1,0,0|2,0,0]=4 8430 B13R2.444 O=C(Cc1ccccc1)C2CO2 1458a_100000701028_100015291786 [0,1,0,1,0,0|1,0,1]=4 8431 B13R2.45 CNC1Cc2ccccc2C1O 2230a_106832991635_100000211646 [0,1,0,1,0,0|0,0,0]=2 8432 B13R2.45 CNC1Cc2ccccc2C1O 34a_100102657272_100000211646 [0,1,0,1,0,0|0,0,0]=2 8433 B13R2.45 COC1Cc2ccccc2C1O 34a_100138415774_100000211646 [0,1,0,1,0,0|1,0,0]=3 8434 B13R2.45 CSC1Cc2ccccc2C1O 62a_100000211646_200000210301 [0,1,0,1,0,0|1,0,0]=3 8435 B13R2.45 CSC1Cc2ccccc2C1O 62a_200000210301_100000211646 [0,1,0,1,0,0|1,0,0]=3 8436 B13R2.45 [13CH3]SC1Cc2ccccc2C1O 62a_100000211646_200025704644 [0,1,0,1,0,0|1,0,0]=3 8437 B13R2.45 [13CH3]SC1Cc2ccccc2C1O 62a_200025704644_100000211646 [0,1,0,1,0,0|1,0,0]=3 8438 B13R2.8137 CN(c1ccccc1)C2COC2 269982a_100000210012_100000687716 [0,1,0,1,0,0|2,0,0]=4 8439 B13R2.8137 CN(c1ccccc1)C2COC2 34a_100000210012_100009818527 [0,1,0,1,0,0|2,0,0]=4 8440 B13R2.8137 O=C(c1ccccc1)C2COC2 1458a_100000185807_100000687716 [0,1,0,1,0,0|1,0,1]=4 8441 B13R2.43 OCc1cc2ccc(cc2[nH]1)O 271570a_203496583355_100000735881 [0,1,0,1,0,0|0,0,2]=4 8442 B13R2.43 OCc1nc2cc(ccc2[nH]1)O 271570a_203496583355_100000698547 [0,1,0,1,0,0|1,0,1]=4 8443 B13R2.1069 Brc1ccc(cc1)NC2COC2 34a_100000210018_100009818527 [0,1,0,1,0,0|2,0,0]=4 8444 B13R2.1069 Brc1ccc(cc1)OC2COC2 34a_100000185759_100009818527 [0,1,0,1,0,0|2,0,0]=4 8445 B13R2.1069 Brc1ccc(cc1)OC2COC2 7a_100000185759_100009818527 [0,1,0,1,0,0|2,0,0]=4 8446 B13R2.1069 Brc1ccc(cc1)SC2COC2 62a_100000752885_100009818527 [0,1,0,1,0,0|2,0,0]=4 8447 B13R2.1069 Cc1ccc(cc1)NC2COC2 34a_100000124888_100009818527 [0,1,0,1,0,0|2,0,0]=4 8448 B13R2.1069 Cc1ccc(cc1)OC2COC2 34a_100000210336_100009818527 [0,1,0,1,0,0|2,0,0]=4 8449 B13R2.1069 Cc1ccc(cc1)OC2COC2 7a_100000210336_100009818527 [0,1,0,1,0,0|2,0,0]=4 8450 B13R2.1069 Cc1ccc(cc1)SC2COC2 62a_100000186775_100009818527 [0,1,0,1,0,0|2,0,0]=4 8451 B13R2.1069 Clc1ccc(cc1)NC2COC2 34a_100000210052_100009818527 [0,1,0,1,0,0|2,0,0]=4 8452 B13R2.1069 Clc1ccc(cc1)OC2COC2 34a_100000210216_100009818527 [0,1,0,1,0,0|2,0,0]=4 8453 B13R2.1069 Clc1ccc(cc1)OC2COC2 7a_100000210216_100009818527 [0,1,0,1,0,0|2,0,0]=4 8454 B13R2.1069 Clc1ccc(cc1)SC2COC2 62a_100000755918_100009818527 [0,1,0,1,0,0|2,0,0]=4 8455 B13R2.1069 Fc1ccc(cc1)NC2COC2 34a_100000185862_100009818527 [0,1,0,1,0,0|2,0,0]=4 8456 B13R2.1069 Fc1ccc(cc1)OC2COC2 34a_100000210339_100009818527 [0,1,0,1,0,0|2,0,0]=4 8457 B13R2.1069 Fc1ccc(cc1)SC2COC2 62a_100000211213_100009818527 [0,1,0,1,0,0|2,0,0]=4 8458 B13R2.1069 Ic1ccc(cc1)NC2COC2 34a_100000185761_100009818527 [0,1,0,1,0,0|2,0,0]=4 8459 B13R2.1069 Ic1ccc(cc1)OC2COC2 34a_100000212066_100009818527 [0,1,0,1,0,0|2,0,0]=4 8460 B13R2.1069 Ic1ccc(cc1)OC2COC2 7a_100000212066_100009818527 [0,1,0,1,0,0|2,0,0]=4 8461 B13R2.1069 Nc1ccc(cc1)OC2COC2 34a_100000185829_100009818527 [0,1,0,1,0,0|2,0,0]=4 8462 B13R2.1069 Nc1ccc(cc1)SC2COC2 62a_100000185761_100009818527 [0,1,0,1,0,0|2,0,0]=4 8463 B13R2.1069 Oc1ccc(cc1)NC2COC2 34a_100000185829_100009818527 [0,1,0,1,0,0|2,0,0]=4 8464 B13R2.54 OCC1Cc2cccc(c2O1)O 271570a_203496583355_200102525175 [0,1,0,1,0,0|1,0,0]=3 8465 B13R2.3021 Brc1cccc(c1)NC2COC2 34a_100000210019_100009818527 [0,1,0,1,0,0|2,0,0]=4 8466 B13R2.3021 Brc1cccc(c1)OC2COC2 34a_100000210342_100009818527 [0,1,0,1,0,0|2,0,0]=4 8467 B13R2.3021 Brc1cccc(c1)OC2COC2 7a_100000210342_100009818527 [0,1,0,1,0,0|2,0,0]=4 8468 B13R2.3021 Brc1cccc(c1)SC2COC2 62a_100000691529_100009818527 [0,1,0,1,0,0|2,0,0]=4 8469 B13R2.3021 Cc1cccc(c1)NC2COC2 34a_100000188690_100009818527 [0,1,0,1,0,0|2,0,0]=4 8470 B13R2.3021 Cc1cccc(c1)OC2COC2 34a_100000210337_100009818527 [0,1,0,1,0,0|2,0,0]=4 8471 B13R2.3021 Cc1cccc(c1)OC2COC2 7a_100000210337_100009818527 [0,1,0,1,0,0|2,0,0]=4 8472 B13R2.3021 Cc1cccc(c1)SC2COC2 62a_100011215228_100009818527 [0,1,0,1,0,0|2,0,0]=4 8473 B13R2.3021 Clc1cccc(c1)NC2COC2 34a_100000185859_100009818527 [0,1,0,1,0,0|2,0,0]=4 8474 B13R2.3021 Clc1cccc(c1)OC2COC2 34a_100000210295_100009818527 [0,1,0,1,0,0|2,0,0]=4 8475 B13R2.3021 Clc1cccc(c1)OC2COC2 7a_100000210295_100009818527 [0,1,0,1,0,0|2,0,0]=4 8476 B13R2.3021 Clc1cccc(c1)SC2COC2 62a_100000699651_100009818527 [0,1,0,1,0,0|2,0,0]=4 8477 B13R2.3021 Fc1cccc(c1)NC2COC2 34a_100000210047_100009818527 [0,1,0,1,0,0|2,0,0]=4 8478 B13R2.3021 Fc1cccc(c1)OC2COC2 34a_100000210426_100009818527 [0,1,0,1,0,0|2,0,0]=4 8479 B13R2.3021 Fc1cccc(c1)OC2COC2 7a_100000210426_100009818527 [0,1,0,1,0,0|2,0,0]=4 8480 B13R2.3021 Fc1cccc(c1)SC2COC2 62a_100000685547_100009818527 [0,1,0,1,0,0|2,0,0]=4 8481 B13R2.3021 Ic1cccc(c1)NC2COC2 34a_100000211102_100009818527 [0,1,0,1,0,0|2,0,0]=4 8482 B13R2.3021 Ic1cccc(c1)OC2COC2 34a_100000211634_100009818527 [0,1,0,1,0,0|2,0,0]=4 8483 B13R2.3021 Ic1cccc(c1)OC2COC2 7a_100000211634_100009818527 [0,1,0,1,0,0|2,0,0]=4 8484 B13R2.3021 Nc1cccc(c1)OC2COC2 34a_100000210217_100009818527 [0,1,0,1,0,0|2,0,0]=4 8485 B13R2.3021 Nc1cccc(c1)SC2COC2 62a_100000210019_100009818527 [0,1,0,1,0,0|2,0,0]=4 8486 B13R2.3021 Oc1cccc(c1)NC2COC2 34a_100000210217_100009818527 [0,1,0,1,0,0|2,0,0]=4 8487 B13R2.3021 [S]c1cccc(c1)SC2COC2 62a_114929384022_100009818527 [0,1,0,1,0,0|2,0,0]=4 8488 B13R2.5225 Brc1ccccc1NC2COC2 34a_100000210017_100009818527 [0,1,0,1,0,0|2,0,0]=4 8489 B13R2.5225 Brc1ccccc1OC2COC2 34a_100000181306_100009818527 [0,1,0,1,0,0|2,0,0]=4 8490 B13R2.5225 Brc1ccccc1OC2COC2 7a_100000181306_100009818527 [0,1,0,1,0,0|2,0,0]=4 8491 B13R2.5225 Brc1ccccc1SC2COC2 62a_100000695589_100009818527 [0,1,0,1,0,0|2,0,0]=4 8492 B13R2.5225 Cc1ccccc1NC2COC2 34a_100015192222_100009818527 [0,1,0,1,0,0|2,0,0]=4 8493 B13R2.5225 Cc1ccccc1OC2COC2 34a_100000210338_100009818527 [0,1,0,1,0,0|2,0,0]=4 8494 B13R2.5225 Cc1ccccc1OC2COC2 7a_100000210338_100009818527 [0,1,0,1,0,0|2,0,0]=4 8495 B13R2.5225 Cc1ccccc1SC2COC2 62a_100000210755_100009818527 [0,1,0,1,0,0|2,0,0]=4 8496 B13R2.5225 Clc1ccccc1NC2COC2 34a_100000185783_100009818527 [0,1,0,1,0,0|2,0,0]=4 8497 B13R2.5225 Clc1ccccc1OC2COC2 34a_100000210172_100009818527 [0,1,0,1,0,0|2,0,0]=4 8498 B13R2.5225 Clc1ccccc1OC2COC2 7a_100000210172_100009818527 [0,1,0,1,0,0|2,0,0]=4 8499 B13R2.5225 Clc1ccccc1SC2COC2 62a_100000764095_100009818527 [0,1,0,1,0,0|2,0,0]=4 8500 B13R2.5225 Fc1ccccc1NC2COC2 34a_100000210422_100009818527 [0,1,0,1,0,0|2,0,0]=4 8501 B13R2.5225 Fc1ccccc1OC2COC2 34a_100000210171_100009818527 [0,1,0,1,0,0|2,0,0]=4 8502 B13R2.5225 Fc1ccccc1OC2COC2 7a_100000210171_100009818527 [0,1,0,1,0,0|2,0,0]=4 8503 B13R2.5225 Fc1ccccc1SC2COC2 62a_100011215700_100009818527 [0,1,0,1,0,0|2,0,0]=4 8504 B13R2.5225 Ic1ccccc1NC2COC2 34a_100000210053_100009818527 [0,1,0,1,0,0|2,0,0]=4 8505 B13R2.5225 Ic1ccccc1OC2COC2 34a_100000739446_100009818527 [0,1,0,1,0,0|2,0,0]=4 8506 B13R2.5225 Ic1ccccc1OC2COC2 7a_100000739446_100009818527 [0,1,0,1,0,0|2,0,0]=4 8507 B13R2.5225 Nc1ccccc1OC2COC2 34a_100000185747_100009818527 [0,1,0,1,0,0|2,0,0]=4 8508 B13R2.5225 Nc1ccccc1OC2COC2 7a_100000185747_100009818527 [0,1,0,1,0,0|2,0,0]=4 8509 B13R2.5225 Nc1ccccc1SC2COC2 62a_100000210017_100009818527 [0,1,0,1,0,0|2,0,0]=4 8510 B13R2.5225 Oc1ccccc1NC2COC2 34a_100000185747_100009818527 [0,1,0,1,0,0|2,0,0]=4 8511 B13R2.5225 Oc1ccccc1SC2COC2 62a_100000739446_100009818527 [0,1,0,1,0,0|2,0,0]=4 8512 B9R1.12 CCCCc1ccco1 271570a_100020621405_100009814098 [1,0,0,0,1,0|2,0,0]=4 8513 B9R1.12 CCCCc1cccs1 271570a_100020621405_100011215356 [1,0,0,0,1,0|2,0,0]=4 8514 B9R1.12 CCCCc1ccoc1 271570a_100020621405_100011215275 [1,0,0,0,1,0|2,0,0]=4 8515 B9R1.12 CCCCc1ccsc1 271570a_100020621405_100000738268 [1,0,0,0,1,0|2,0,0]=4 8516 B9R1.12 OCCOc1ccsc1 34a_100000106738_100000211926 [1,0,0,0,1,0|2,0,0]=4 8517 B9R1.12 OCCOc1ccsc1 7a_100000106738_100000211926 [1,0,0,0,1,0|2,0,0]=4 8518 B9R1.12 OCCSc1ccco1 62a_100000211926_100009814098 [1,0,0,0,1,0|2,0,0]=4 8519 B9R1.12 OCCSc1ccco1 62a_100009814098_100000211926 [1,0,0,0,1,0|2,0,0]=4 8520 B9R1.12 OCCSc1cccs1 62a_100000211926_100011215356 [1,0,0,0,1,0|2,0,0]=4 8521 B9R1.12 OCCSc1cccs1 62a_100011215356_100000211926 [1,0,0,0,1,0|2,0,0]=4 8522 B9R1.12 OCCSc1ccoc1 62a_100000211926_100011215275 [1,0,0,0,1,0|2,0,0]=4 8523 B9R1.12 OCCSc1ccoc1 62a_100011215275_100000211926 [1,0,0,0,1,0|2,0,0]=4 8524 B9R1.12 OCCSc1ccsc1 62a_100000211926_100000738268 [1,0,0,0,1,0|2,0,0]=4 8525 B9R1.12 OCCSc1ccsc1 62a_100000738268_100000211926 [1,0,0,0,1,0|2,0,0]=4 8526 B9R1.6 C=C(C)c1ccccc1 271570a_100000694244_100000210277 [1,0,0,0,1,0|1,0,1]=4 8527 B9R1.6 CC(=O)c1ccccc1 1458a_100000185807_200000210301 [1,0,0,0,1,0|1,0,1]=4 8528 B9R1.6 CN(C)c1ccccc1 2230a_100000210012_200000210301 [1,0,0,0,1,0|2,0,0]=4 8529 B9R1.6 CN(C)c1ccccc1 269982a_100000210012_200000210301 [1,0,0,0,1,0|2,0,0]=4 8530 B9R1.6 CN(C)c1ccccc1 34a_100000210012_200000210301 [1,0,0,0,1,0|2,0,0]=4 8531 B9R1.6 CN([13CH3])c1ccccc1 2230a_100000210012_200025704644 [1,0,0,0,1,0|2,0,0]=4 8532 B9R1.6 CN([13CH3])c1ccccc1 269982a_100000210012_200025704644 [1,0,0,0,1,0|2,0,0]=4 8533 B9R1.6 CN([13CH3])c1ccccc1 34a_100000210012_200025704644 [1,0,0,0,1,0|2,0,0]=4 8534 B9R1.6 [13CH3]C(=O)c1ccccc1 1458a_100000185807_200025704644 [1,0,0,0,1,0|1,0,1]=4 8535 B13R1.718 C=C[C@H](N)COCc1ccccc1 34a_100016989147_100015291786 [0,0,0,0,0,2|1,0,1]=4 8536 B13R1.718 CC(=NNCc1ccccc1)CO 4a_100000007032_100000211253 [0,0,0,0,0,2|1,0,1]=4 8537 B13R1.718 CC(CF)OCCc1ccccc1 34a_100016041109_100000765856 [0,0,0,0,0,2|2,0,0]=4 8538 B13R1.718 CC(CF)OCCc1ccccc1 7a_100016041109_100000765856 [0,0,0,0,0,2|2,0,0]=4 8539 B13R1.718 CC(CN)COCc1ccccc1 34a_100000744482_100015291786 [0,0,0,0,0,2|2,0,0]=4 8540 B13R1.718 CC(CN)OCCc1ccccc1 34a_100000210904_100000765856 [0,0,0,0,0,2|2,0,0]=4 8541 B13R1.718 CC(CO)CNCc1ccccc1 207a_100000744482_100015611070 [0,0,0,0,0,2|1,0,0]=3 8542 B13R1.718 CC(CO)CNCc1ccccc1 34a_100000744482_100015291786 [0,0,0,0,0,2|1,0,0]=3 8543 B13R1.718 CC(CO)CNCc1ccccn1 207a_100000744482_100000209966 [0,0,0,0,0,2|2,0,0]=4 8544 B13R1.718 CC(CO)CNCc1ccccn1 34a_100000744482_100000721315 [0,0,0,0,0,2|2,0,0]=4 8545 B13R1.718 CC(CO)CNCc1cccnc1 207a_100000744482_100000209961 [0,0,0,0,0,2|2,0,0]=4 8546 B13R1.718 CC(CO)CNCc1cccnc1 34a_100000744482_100000733263 [0,0,0,0,0,2|2,0,0]=4 8547 B13R1.718 CC(CO)CNCc1ccncc1 207a_100000744482_100000186114 [0,0,0,0,0,2|2,0,0]=4 8548 B13R1.718 CC(CO)NCCc1ccccc1 2230a_100000106460_100012180447 [0,0,0,0,0,2|1,0,0]=3 8549 B13R1.718 CC(CO)NCCc1ccccc1 34a_100000106460_100012180447 [0,0,0,0,0,2|1,0,0]=3 8550 B13R1.718 CC(CO)NCCc1cccnc1 2230a_100000736294_100012180447 [0,0,0,0,0,2|2,0,0]=4 8551 B13R1.718 CC(CO)OCCc1ccccc1 34a_100000210268_100012180447 [0,0,0,0,0,2|1,0,0]=3 8552 B13R1.718 CC(CO)OCCc1ccccc1 7a_100000210268_100012180447 [0,0,0,0,0,2|1,0,0]=3 8553 B13R1.718 CC(CO)OCCc1ccccn1 34a_100000210271_100012180447 [0,0,0,0,0,2|2,0,0]=4 8554 B13R1.718 CC(CO)OCCc1cccnc1 34a_100011217484_100012180447 [0,0,0,0,0,2|2,0,0]=4 8555 B13R1.718 CC(CO)OCCc1ccncc1 34a_100011216225_100012180447 [0,0,0,0,0,2|2,0,0]=4 8556 B13R1.718 CC(CO)SCCc1ccccc1 62a_100012180447_100011218657 [0,0,0,0,0,2|1,0,0]=3 8557 B13R1.718 CC(CO)SCCc1ccccn1 62a_100012180447_100015183660 [0,0,0,0,0,2|2,0,0]=4 8558 B13R1.718 CC(CO)SCCc1cccnc1 62a_100012180447_200011713674 [0,0,0,0,0,2|2,0,0]=4 8559 B13R1.718 CC(CO)SCCc1ccncc1 62a_100012180447_100000723409 [0,0,0,0,0,2|2,0,0]=4 8560 B13R1.718 CC(CO)SCSc1ccccc1 62a_100012180447_100011218342 [0,0,0,0,0,2|1,0,0]=3 8561 B13R1.718 CCC(C)CNCc1ccccc1 207a_100020588543_100015611070 [0,0,0,0,0,2|2,0,0]=4 8562 B13R1.718 CCC(C)CNCc1ccccc1 2230a_100015324214_100000748023 [0,0,0,0,0,2|2,0,0]=4 8563 B13R1.718 CCC(C)CNCc1ccccc1 2230a_100020588543_100015291786 [0,0,0,0,0,2|2,0,0]=4 8564 B13R1.718 CCC(C)CNCc1ccccc1 270004a_100015324214_100000243153 [0,0,0,0,0,2|2,0,0]=4 8565 B13R1.718 CCC(C)CNCc1ccccc1 270004a_100020588543_100015611070 [0,0,0,0,0,2|2,0,0]=4 8566 B13R1.718 CCC(C)CNCc1ccccc1 34a_100015324214_100000748023 [0,0,0,0,0,2|2,0,0]=4 8567 B13R1.718 CCC(C)COCc1ccccc1 34a_100000210790_100000748023 [0,0,0,0,0,2|2,0,0]=4 8568 B13R1.718 CCC(C)COCc1ccccc1 7a_100000210790_100000748023 [0,0,0,0,0,2|2,0,0]=4 8569 B13R1.718 CCC(C)CSCc1ccccc1 62a_100000211182_100000748023 [0,0,0,0,0,2|2,0,0]=4 8570 B13R1.718 CCC(C)CSCc1ccccc1 62a_100000748023_100015291786 [0,0,0,0,0,2|2,0,0]=4 8571 B13R1.718 CCC(C)NCCc1ccccc1 2230a_100000106460_100000758301 [0,0,0,0,0,2|2,0,0]=4 8572 B13R1.718 CCC(C)NCCc1ccccc1 2230a_100000209981_100000765856 [0,0,0,0,0,2|2,0,0]=4 8573 B13R1.718 CCC(C)NCCc1ccccc1 34a_100000106460_100011215416 [0,0,0,0,0,2|2,0,0]=4 8574 B13R1.718 CCC(C)NCSc1ccccc1 2230a_100000209981_100011218342 [0,0,0,0,0,2|2,0,0]=4 8575 B13R1.718 CCC(C)OCCc1ccccc1 34a_100000210268_100011215416 [0,0,0,0,0,2|2,0,0]=4 8576 B13R1.718 CCC(C)OCCc1ccccc1 7a_100000210228_100000765856 [0,0,0,0,0,2|2,0,0]=4 8577 B13R1.718 CCC(C)OCCc1ccccc1 7a_100000210268_100000758301 [0,0,0,0,0,2|2,0,0]=4 8578 B13R1.718 CCC(C)SCCc1ccccc1 62a_100000758301_100011218657 [0,0,0,0,0,2|2,0,0]=4 8579 B13R1.718 CCC(C)SCCc1ccccc1 62a_100000765856_100000758301 [0,0,0,0,0,2|2,0,0]=4 8580 B13R1.718 CCC(C)SCSc1ccccc1 62a_100000758301_100011218342 [0,0,0,0,0,2|2,0,0]=4 8581 B13R1.718 CCC(C)SCSc1ccccc1 62a_100011218342_100000758301 [0,0,0,0,0,2|2,0,0]=4 8582 B13R1.718 CCC(O)CNCc1ccccc1 207a_100011218483_100015611070 [0,0,0,0,0,2|2,0,0]=4 8583 B13R1.718 CCC(O)CNCc1ccccc1 2230a_100011218483_100015291786 [0,0,0,0,0,2|2,0,0]=4 8584 B13R1.718 CCC(O)CNCc1ccccc1 2230a_100015324214_100011218378 [0,0,0,0,0,2|2,0,0]=4 8585 B13R1.718 CCC(O)CNCc1ccccc1 270004a_100011218483_100015611070 [0,0,0,0,0,2|2,0,0]=4 8586 B13R1.718 CCC(O)CNCc1ccccc1 34a_100015324214_100011218378 [0,0,0,0,0,2|2,0,0]=4 8587 B13R1.718 CCC(O)COCc1ccccc1 34a_100000210790_100011218378 [0,0,0,0,0,2|2,0,0]=4 8588 B13R1.718 CCC(O)COCc1ccccc1 7a_100000210790_100011218378 [0,0,0,0,0,2|2,0,0]=4 8589 B13R1.718 CCC(O)CSCc1ccccc1 62a_100000211182_100011218378 [0,0,0,0,0,2|2,0,0]=4 8590 B13R1.718 CCC(O)CSCc1ccccc1 62a_100011218378_100015291786 [0,0,0,0,0,2|2,0,0]=4 8591 B13R1.718 CC[C@H](C)CNCc1ccccc1 2230a_100015324214_100009816398 [0,0,0,0,0,2|2,0,0]=4 8592 B13R1.718 CC[C@H](C)CNCc1ccccc1 34a_100015324214_100009816398 [0,0,0,0,0,2|2,0,0]=4 8593 B13R1.718 CC[C@H](C)COCc1ccccc1 34a_100000210790_100009816398 [0,0,0,0,0,2|2,0,0]=4 8594 B13R1.718 CC[C@H](C)COCc1ccccc1 7a_100000210790_100009816398 [0,0,0,0,0,2|2,0,0]=4 8595 B13R1.718 CC[C@H](C)COCc1ccccc1 7a_100009816381_100000211182 [0,0,0,0,0,2|2,0,0]=4 8596 B13R1.718 CC[C@H](C)CSCc1ccccc1 62a_100000211182_100009816398 [0,0,0,0,0,2|2,0,0]=4 8597 B13R1.718 CC[C@H](C)CSCc1ccccc1 62a_100009816398_100015291786 [0,0,0,0,0,2|2,0,0]=4 8598 B13R1.718 C[C@@H](CO)CNCc1ccccc1 2230a_100015324214_100000059175 [0,0,0,0,0,2|1,0,0]=3 8599 B13R1.718 C[C@@H](CO)CNCc1ccccc1 34a_100015324214_100000059175 [0,0,0,0,0,2|1,0,0]=3 8600 B13R1.718 C[C@@H](CO)COCc1ccccc1 34a_100000210790_100000059175 [0,0,0,0,0,2|1,0,0]=3 8601 B13R1.718 C[C@@H](CO)COCc1ccccc1 7a_100000210790_100000059175 [0,0,0,0,0,2|1,0,0]=3 8602 B13R1.718 C[C@@H](CO)CSCc1ccccc1 62a_100000059175_100015291786 [0,0,0,0,0,2|1,0,0]=3 8603 B13R1.718 C[C@@H](CO)CSCc1ccccc1 62a_100000211182_100000059175 [0,0,0,0,0,2|1,0,0]=3 8604 B13R1.718 C[C@@H](CO)CSCc1ccccn1 62a_100000059175_100000721315 [0,0,0,0,0,2|2,0,0]=4 8605 B13R1.718 C[C@@H](CO)CSCc1ccccn1 62a_100000721315_100000059175 [0,0,0,0,0,2|2,0,0]=4 8606 B13R1.718 C[C@@H](CO)CSCc1cccnc1 62a_100000059175_100000741622 [0,0,0,0,0,2|2,0,0]=4 8607 B13R1.718 C[C@@H](CO)CSCc1cccnc1 62a_100000741622_100000059175 [0,0,0,0,0,2|2,0,0]=4 8608 B13R1.718 C[C@@H](CO)CSCc1ccncc1 62a_100000059175_100015193705 [0,0,0,0,0,2|2,0,0]=4 8609 B13R1.718 C[C@@H](CO)CSCc1ccncc1 62a_100015193705_100000059175 [0,0,0,0,0,2|2,0,0]=4 8610 B13R1.718 C[C@H](CO)NCCc1ccccc1 2230a_100000737577_100000765856 [0,0,0,0,0,2|1,0,0]=3 8611 B13R1.718 C[C@H](CO)NCCc1ccccn1 2230a_100000737577_100015183660 [0,0,0,0,0,2|2,0,0]=4 8612 B13R1.718 C[C@H](CO)NCCc1cccnc1 2230a_100000737577_200011713674 [0,0,0,0,0,2|2,0,0]=4 8613 B13R1.718 C[C@H](CO)NCCc1ccncc1 2230a_100000737577_100000723409 [0,0,0,0,0,2|2,0,0]=4 8614 B13R1.718 C[C@H](CO)NCSc1ccccc1 2230a_100000737577_100011218342 [0,0,0,0,0,2|1,0,0]=3 8615 B13R1.718 C[C@H](CO)SCCc1ccccc1 62a_100000765856_100016084084 [0,0,0,0,0,2|1,0,0]=3 8616 B13R1.718 C[C@H](CO)SCCc1ccccc1 62a_100016084084_100011218657 [0,0,0,0,0,2|1,0,0]=3 8617 B13R1.718 C[C@H](CO)SCCc1ccccn1 62a_100015183660_100016084084 [0,0,0,0,0,2|2,0,0]=4 8618 B13R1.718 C[C@H](CO)SCCc1ccccn1 62a_100016084084_100015183660 [0,0,0,0,0,2|2,0,0]=4 8619 B13R1.718 C[C@H](CO)SCCc1cccnc1 62a_100016084084_200011713674 [0,0,0,0,0,2|2,0,0]=4 8620 B13R1.718 C[C@H](CO)SCCc1cccnc1 62a_200011713674_100016084084 [0,0,0,0,0,2|2,0,0]=4 8621 B13R1.718 C[C@H](CO)SCCc1ccncc1 62a_100000723409_100016084084 [0,0,0,0,0,2|2,0,0]=4 8622 B13R1.718 C[C@H](CO)SCCc1ccncc1 62a_100016084084_100000723409 [0,0,0,0,0,2|2,0,0]=4 8623 B13R1.718 C[C@H](CO)SCSc1ccccc1 62a_100011218342_100016084084 [0,0,0,0,0,2|1,0,0]=3 8624 B13R1.718 C[C@H](CO)SCSc1ccccc1 62a_100016084084_100011218342 [0,0,0,0,0,2|1,0,0]=3 8625 B13R1.718 ClCC(Cl)COCc1ccccc1 34a_100000033668_100015291786 [0,0,0,0,0,2|2,0,0]=4 8626 B13R1.718 NC[C@@H](F)COCc1ccccc1 34a_100015665980_100015291786 [0,0,0,0,0,2|2,0,0]=4 8627 B13R1.718 O=C(CO)C/C=C/c1ccccc1 1458a_100000210174_100016265936 [0,0,0,0,0,2|1,0,1]=4 8628 B13R1.718 O=C(CO)CC#Cc1ccccc1 1458a_100000210174_100011352542 [0,0,0,0,0,2|1,0,1]=4 8629 B13R1.718 O=C(CO)CCCc1ccccc1 1458a_100000210174_100000211621 [0,0,0,0,0,2|1,0,1]=4 8630 B13R1.718 O=C(CO)CCOc1ccccc1 1458a_100000210174_100000184471 [0,0,0,0,0,2|1,0,1]=4 8631 B13R1.718 O=C(CO)CCSc1ccccc1 1458a_100000210174_100000246102 [0,0,0,0,0,2|1,0,1]=4 8632 B13R1.718 O=C(CO)CSCc1ccccc1 1458a_100000210174_200011217039 [0,0,0,0,0,2|1,0,1]=4 8633 B13R1.718 O=C(CO)NCCc1ccccc1 240690a_100000106460_100000210174 [0,0,0,0,0,2|1,0,1]=4 8634 B13R1.718 O=C(CO)NCCc1ccccc1 527a_100000106460_100000210174 [0,0,0,0,0,2|1,0,1]=4 8635 B13R1.718 O=C(CO)NNCc1ccccc1 22a_100000007032_100000210174 [0,0,0,0,0,2|1,0,1]=4 8636 B13R1.718 OCC(O)C=NNc1ccccc1 4a_100015195140_100000033539 [0,0,0,0,0,2|1,0,1]=4 8637 B13R1.718 OCC(O)CNCc1ccccc1 2230a_100015324214_100011219619 [0,0,0,0,0,2|1,0,0]=3 8638 B13R1.718 OCC(O)CNCc1ccccc1 34a_100015324214_100011219619 [0,0,0,0,0,2|1,0,0]=3 8639 B13R1.718 OCC(O)COCc1ccccc1 34a_100000210790_100011219619 [0,0,0,0,0,2|1,0,0]=3 8640 B13R1.718 OCC(O)COCc1ccccc1 7a_100000210790_100011219619 [0,0,0,0,0,2|1,0,0]=3 8641 B13R1.718 OCC(O)CSCc1ccccc1 62a_100000211182_100011219619 [0,0,0,0,0,2|1,0,0]=3 8642 B13R1.718 OCC(O)CSCc1ccccc1 62a_100011219619_100015291786 [0,0,0,0,0,2|1,0,0]=3 8643 B13R1.718 OCC(O)CSCc1ccccn1 62a_100000721315_100011219619 [0,0,0,0,0,2|2,0,0]=4 8644 B13R1.718 OCC(O)CSCc1ccccn1 62a_100011219619_100000721315 [0,0,0,0,0,2|2,0,0]=4 8645 B13R1.718 OCC(O)CSCc1cccnc1 62a_100000741622_100011219619 [0,0,0,0,0,2|2,0,0]=4 8646 B13R1.718 OCC(O)CSCc1cccnc1 62a_100011219619_100000741622 [0,0,0,0,0,2|2,0,0]=4 8647 B13R1.718 OCC(O)CSCc1ccncc1 62a_100011219619_100015193705 [0,0,0,0,0,2|2,0,0]=4 8648 B13R1.718 OCC(O)CSCc1ccncc1 62a_100015193705_100011219619 [0,0,0,0,0,2|2,0,0]=4 8649 B13R1.718 OC[C@@H](O)CNCc1ccccc1 207a_100020644852_100015611070 [0,0,0,0,0,2|1,0,0]=3 8650 B13R1.718 OC[C@@H](O)CNCc1ccccc1 2230a_100020644852_100015291786 [0,0,0,0,0,2|1,0,0]=3 8651 B13R1.718 OC[C@@H](O)CNCc1ccccn1 207a_100020644852_100000209966 [0,0,0,0,0,2|2,0,0]=4 8652 B13R1.718 OC[C@@H](O)CNCc1ccccn1 2230a_100020644852_100000721315 [0,0,0,0,0,2|2,0,0]=4 8653 B13R1.718 OC[C@@H](O)CNCc1cccnc1 207a_100020644852_100000209961 [0,0,0,0,0,2|2,0,0]=4 8654 B13R1.718 OC[C@@H](O)CNCc1cccnc1 2230a_100020644852_100000741622 [0,0,0,0,0,2|2,0,0]=4 8655 B13R1.718 OC[C@@H](O)CNCc1ccncc1 207a_100020644852_100000186114 [0,0,0,0,0,2|2,0,0]=4 8656 B13R1.718 OC[C@@H](O)CNCc1ccncc1 2230a_100020644852_100015193705 [0,0,0,0,0,2|2,0,0]=4 8657 B13R1.718 OC[C@H](F)CNCc1ccccc1 207a_100015665980_100015611070 [0,0,0,0,0,2|1,0,0]=3 8658 B13R1.718 OC[C@H](F)CNCc1ccccc1 270004a_100015665980_100015611070 [0,0,0,0,0,2|1,0,0]=3 8659 B13R1.718 OC[C@H](F)CNCc1ccccc1 34a_100015665980_100015291786 [0,0,0,0,0,2|1,0,0]=3 8660 B13R1.718 OC[C@H](F)CNCc1ccccn1 207a_100015665980_100000209966 [0,0,0,0,0,2|2,0,0]=4 8661 B13R1.718 OC[C@H](F)CNCc1ccccn1 270004a_100015665980_100000209966 [0,0,0,0,0,2|2,0,0]=4 8662 B13R1.718 OC[C@H](F)CNCc1ccccn1 34a_100015665980_100000721315 [0,0,0,0,0,2|2,0,0]=4 8663 B13R1.718 OC[C@H](F)CNCc1cccnc1 207a_100015665980_100000209961 [0,0,0,0,0,2|2,0,0]=4 8664 B13R1.718 OC[C@H](F)CNCc1cccnc1 270004a_100015665980_100000209961 [0,0,0,0,0,2|2,0,0]=4 8665 B13R1.718 OC[C@H](F)CNCc1cccnc1 34a_100015665980_100000733263 [0,0,0,0,0,2|2,0,0]=4 8666 B13R1.718 OC[C@H](F)CNCc1ccncc1 207a_100015665980_100000186114 [0,0,0,0,0,2|2,0,0]=4 8667 B13R1.718 OC[C@H](O)CNCc1ccccc1 2230a_100015324214_100009815848 [0,0,0,0,0,2|1,0,0]=3 8668 B13R1.718 OC[C@H](O)CNCc1ccccc1 34a_100015324214_100009815848 [0,0,0,0,0,2|1,0,0]=3 8669 B13R1.718 OC[C@H](O)COCc1ccccc1 34a_100000210790_100009815848 [0,0,0,0,0,2|1,0,0]=3 8670 B13R1.718 OC[C@H](O)COCc1ccccc1 7a_100000210790_100009815848 [0,0,0,0,0,2|1,0,0]=3 8671 B13R1.718 OC[C@H](O)CSCc1ccccc1 62a_100000211182_100009815848 [0,0,0,0,0,2|1,0,0]=3 8672 B13R1.718 OC[C@H](O)CSCc1ccccc1 62a_100009815848_100015291786 [0,0,0,0,0,2|1,0,0]=3 8673 B13R1.718 OC[C@H](O)CSCc1ccccn1 62a_100000721315_100009815848 [0,0,0,0,0,2|2,0,0]=4 8674 B13R1.718 OC[C@H](O)CSCc1ccccn1 62a_100009815848_100000721315 [0,0,0,0,0,2|2,0,0]=4 8675 B13R1.718 OC[C@H](O)CSCc1cccnc1 62a_100000741622_100009815848 [0,0,0,0,0,2|2,0,0]=4 8676 B13R1.718 OC[C@H](O)CSCc1cccnc1 62a_100009815848_100000741622 [0,0,0,0,0,2|2,0,0]=4 8677 B13R1.718 OC[C@H](O)CSCc1ccncc1 62a_100009815848_100015193705 [0,0,0,0,0,2|2,0,0]=4 8678 B13R1.718 OC[C@H](O)CSCc1ccncc1 62a_100015193705_100009815848 [0,0,0,0,0,2|2,0,0]=4 8679 B13R1.718 O[C@@H](CF)CNCc1ccccc1 2230a_100015324214_100015614560 [0,0,0,0,0,2|2,0,0]=4 8680 B13R1.718 O[C@@H](CF)CNCc1ccccc1 34a_100015324214_100015614560 [0,0,0,0,0,2|2,0,0]=4 8681 B13R1.718 O[C@@H](CF)COCc1ccccc1 34a_100000210790_100015614560 [0,0,0,0,0,2|2,0,0]=4 8682 B13R1.718 O[C@@H](CF)COCc1ccccc1 7a_100000210790_100015614560 [0,0,0,0,0,2|2,0,0]=4 8683 B13R1.718 O[C@@H](CF)CSCc1ccccc1 62a_100000211182_100015614560 [0,0,0,0,0,2|2,0,0]=4 8684 B13R1.718 O[C@@H](CF)CSCc1ccccc1 62a_100015614560_100015291786 [0,0,0,0,0,2|2,0,0]=4