0 B13R2.57 C=Cc1cc2ccccc2cn1 271570a_100011290941_100000047361 [0,0,0,0,0,0|3,0,1]=4 1 B13R2.57 C=Cc1cc2nccnc2cn1 271570a_100011290941_100010370699 [0,0,0,0,0,0|3,0,1]=4 2 B13R2.57 C=Cc1ccc2ccccc2c1 271570a_100011290941_100000233703 [0,0,0,0,0,0|2,0,1]=3 3 B13R2.57 C=Cc1ccc2ccccc2n1 271570a_100011290941_100011291633 [0,0,0,0,0,0|3,0,1]=4 4 B13R2.57 C=Cc1ccc2cccnc2c1 271570a_100011290941_100009816655 [0,0,0,0,0,0|3,0,1]=4 5 B13R2.57 C=Cc1ccc2ccncc2c1 271570a_100011290941_100000686496 [0,0,0,0,0,0|3,0,1]=4 6 B13R2.57 C=Cc1ccc2cnccc2c1 271570a_100011290941_100009816743 [0,0,0,0,0,0|3,0,1]=4 7 B13R2.57 C=Cc1ccc2ncccc2c1 271570a_100011290941_100000754243 [0,0,0,0,0,0|1,0,1]=2 8 B13R2.57 C=Cc1ccc2ncccc2n1 271570a_100011290941_100000073381 [0,0,0,0,0,0|2,0,1]=3 9 B13R2.57 C=Cc1ccc2nccnc2c1 271570a_100011290941_100011219451 [0,0,0,0,0,0|2,0,1]=3 10 B13R2.57 C=Cc1ccc2nccnc2n1 271570a_100011290941_100012351543 [0,0,0,0,0,0|3,0,1]=4 11 B13R2.57 C=Cc1ccc2ncncc2c1 271570a_100011290941_100009989443 [0,0,0,0,0,0|2,0,1]=3 12 B13R2.57 C=Cc1ccc2nnccc2c1 271570a_100011290941_100010209549 [0,0,0,0,0,0|2,0,1]=3 13 B13R2.57 C=Cc1cnc2ccccc2c1 271570a_100011290941_100000737414 [0,0,0,0,0,0|3,0,1]=4 14 B13R2.57 C=Cc1cnc2ncccc2n1 271570a_100011290941_100000084304 [0,0,0,0,0,0|3,0,1]=4 15 B13R2.57 C=Cc1cnc2nccnc2c1 271570a_100011290941_100000753224 [0,0,0,0,0,0|3,0,1]=4 16 B13R2.57 CNc1cc2nccnc2cn1 27a_100102657272_100000070204 [0,0,0,0,0,0|3,0,0]=3 17 B13R2.57 CNc1ccc2ccccc2c1 34a_100000211940_200000210301 [0,0,0,0,0,0|2,0,0]=2 18 B13R2.57 CNc1ccc2ccccc2c1 7a_100000211940_200000210301 [0,0,0,0,0,0|2,0,0]=2 19 B13R2.57 CNc1ccc2ccccc2n1 27a_100102657272_100011291633 [0,0,0,0,0,0|3,0,0]=3 20 B13R2.57 CNc1ccc2cccnc2c1 34a_100102887122_200000210301 [0,0,0,0,0,0|3,0,0]=3 21 B13R2.57 CNc1ccc2cccnc2n1 27a_100102657272_100000075685 [0,0,0,0,0,0|4,0,0]=4 22 B13R2.57 CNc1ccc2ccncc2n1 27a_100102657272_100000020162 [0,0,0,0,0,0|4,0,0]=4 23 B13R2.57 CNc1ccc2cnccc2c1 34a_100000039641_200000210301 [0,0,0,0,0,0|3,0,0]=3 24 B13R2.57 CNc1ccc2cncnc2c1 27a_100102657272_100010185614 [0,0,0,0,0,0|4,0,0]=4 25 B13R2.57 CNc1ccc2ncccc2c1 34a_100011198106_200000210301 [0,0,0,0,0,0|1,0,0]=1 26 B13R2.57 CNc1ccc2ncccc2n1 27a_100102657272_100000073381 [0,0,0,0,0,0|2,0,0]=2 27 B13R2.57 CNc1ccc2nccnc2c1 27a_100102657272_100011219451 [0,0,0,0,0,0|2,0,0]=2 28 B13R2.57 CNc1ccc2nccnc2c1 34a_100011219565_200000210301 [0,0,0,0,0,0|2,0,0]=2 29 B13R2.57 CNc1ccc2nccnc2n1 27a_100102657272_100012351543 [0,0,0,0,0,0|3,0,0]=3 30 B13R2.57 CNc1cnc2ccccc2n1 27a_100102657272_100000756483 [0,0,0,0,0,0|4,0,0]=4 31 B13R2.57 CNc1cnc2ncccc2n1 27a_100102657272_100000084304 [0,0,0,0,0,0|3,0,0]=3 32 B13R2.57 CNc1cnc2nccnc2c1 27a_100102657272_100000753224 [0,0,0,0,0,0|3,0,0]=3 33 B13R2.57 CNc1ncc2ccccc2n1 27a_100102657272_100000097389 [0,0,0,0,0,0|4,0,0]=4 34 B13R2.57 COc1ccc2c(c1)CCCC2 34a_100000186212_200000210301 [0,0,0,0,0,0|1,0,3]=4 35 B13R2.57 COc1ccc2c(c1)CCCC2 7a_100000186212_200000210301 [0,0,0,0,0,0|1,0,3]=4 36 B13R2.57 COc1ccc2c(c1)CCCN2 34a_100000070867_200000210301 [0,0,0,0,0,0|0,0,4]=4 37 B13R2.57 COc1ccc2c(c1)CCNC2 34a_100000077532_200000210301 [0,0,0,0,0,0|2,0,2]=4 38 B13R2.57 COc1ccc2c(c1)CCOC2 34a_100009841951_200000210301 [0,0,0,0,0,0|2,0,2]=4 39 B13R2.57 COc1ccc2c(c1)CCOC2 7a_100009841951_200000210301 [0,0,0,0,0,0|2,0,2]=4 40 B13R2.57 COc1ccc2c(c1)CNCC2 34a_100015185785_200000210301 [0,0,0,0,0,0|2,0,2]=4 41 B13R2.57 COc1ccc2c(c1)NCCC2 34a_106638131596_200000210301 [0,0,0,0,0,0|2,0,2]=4 42 B13R2.57 COc1ccc2c(c1)NCCO2 34a_100020636358_200000210301 [0,0,0,0,0,0|2,0,2]=4 43 B13R2.57 COc1ccc2c(c1)OCCO2 34a_100000234341_200000210301 [0,0,0,0,0,0|2,0,2]=4 44 B13R2.57 COc1ccc2ccccc2c1 34a_100000185828_200000210301 [0,0,0,0,0,0|1,0,0]=1 45 B13R2.57 COc1ccc2ccccc2c1 7a_100000185828_200000210301 [0,0,0,0,0,0|1,0,0]=1 46 B13R2.57 COc1ccc2cccnc2c1 34a_100011216045_200000210301 [0,0,0,0,0,0|2,0,0]=2 47 B13R2.57 COc1ccc2ccncc2c1 7a_100000752006_200000210301 [0,0,0,0,0,0|2,0,0]=2 48 B13R2.57 COc1ccc2cnccc2c1 34a_100000046372_200000210301 [0,0,0,0,0,0|2,0,0]=2 49 B13R2.57 COc1ccc2cnccc2c1 7a_100000046372_200000210301 [0,0,0,0,0,0|2,0,0]=2 50 B13R2.57 COc1ccc2ncccc2c1 34a_100011215586_200000210301 [0,0,0,0,0,0|0,0,0]=0 51 B13R2.57 COc1ccc2ncccc2c1 7a_100011215586_200000210301 [0,0,0,0,0,0|0,0,0]=0 52 B13R2.57 COc1ccc2nccnc2c1 34a_100000694412_200000210301 [0,0,0,0,0,0|1,0,0]=1 53 B13R2.57 COc1cnc2ccccc2c1 34a_100011934006_200000210301 [0,0,0,0,0,0|2,0,0]=2 54 B13R2.57 COc1cnc2ccccc2c1 7a_100011934006_200000210301 [0,0,0,0,0,0|2,0,0]=2 55 B13R2.57 CSc1cc2ccccc2cn1 62a_100009816522_200000210301 [0,0,0,0,0,0|2,1,0]=3 56 B13R2.57 CSc1cc2ccccc2cn1 62a_200000210301_100000047361 [0,0,0,0,0,0|2,1,0]=3 57 B13R2.57 CSc1cc2nccnc2cn1 62a_100010370699_200000210301 [0,0,0,0,0,0|2,1,0]=3 58 B13R2.57 CSc1cc2nccnc2cn1 62a_200000210301_100010370699 [0,0,0,0,0,0|2,1,0]=3 59 B13R2.57 CSc1ccc2ccccc2c1 62a_200000210301_100000233703 [0,0,0,0,0,0|1,1,0]=2 60 B13R2.57 CSc1ccc2ccccc2n1 62a_100011291633_200000210301 [0,0,0,0,0,0|2,1,0]=3 61 B13R2.57 CSc1ccc2ccccc2n1 62a_200000210301_100011291633 [0,0,0,0,0,0|2,1,0]=3 62 B13R2.57 CSc1ccc2cccnc2c1 62a_200000210301_100009816655 [0,0,0,0,0,0|2,1,0]=3 63 B13R2.57 CSc1ccc2cccnc2n1 62a_100000075685_200000210301 [0,0,0,0,0,0|3,1,0]=4 64 B13R2.57 CSc1ccc2cccnc2n1 62a_200000210301_100000075685 [0,0,0,0,0,0|3,1,0]=4 65 B13R2.57 CSc1ccc2ccncc2c1 62a_100000686496_200000210301 [0,0,0,0,0,0|2,1,0]=3 66 B13R2.57 CSc1ccc2ccncc2c1 62a_200000210301_100000686496 [0,0,0,0,0,0|2,1,0]=3 67 B13R2.57 CSc1ccc2ccncc2n1 62a_200000210301_100000020162 [0,0,0,0,0,0|3,1,0]=4 68 B13R2.57 CSc1ccc2cnccc2c1 62a_100009816743_200000210301 [0,0,0,0,0,0|2,1,0]=3 69 B13R2.57 CSc1ccc2cnccc2c1 62a_200000210301_100009816743 [0,0,0,0,0,0|2,1,0]=3 70 B13R2.57 CSc1ccc2cncnc2c1 62a_100010185614_200000210301 [0,0,0,0,0,0|3,1,0]=4 71 B13R2.57 CSc1ccc2cncnc2c1 62a_200000210301_100010185614 [0,0,0,0,0,0|3,1,0]=4 72 B13R2.57 CSc1ccc2cnncc2c1 62a_100010198781_200000210301 [0,0,0,0,0,0|3,1,0]=4 73 B13R2.57 CSc1ccc2cnncc2c1 62a_200000210301_100010198781 [0,0,0,0,0,0|3,1,0]=4 74 B13R2.57 CSc1ccc2ncccc2c1 62a_100011215947_200000210301 [0,0,0,0,0,0|0,1,0]=1 75 B13R2.57 CSc1ccc2ncccc2c1 62a_200000210301_100011215947 [0,0,0,0,0,0|0,1,0]=1 76 B13R2.57 CSc1ccc2ncccc2n1 62a_200000210301_100000073381 [0,0,0,0,0,0|1,1,0]=2 77 B13R2.57 CSc1ccc2nccnc2c1 62a_100011219451_200000210301 [0,0,0,0,0,0|1,1,0]=2 78 B13R2.57 CSc1ccc2nccnc2c1 62a_200000210301_100011219451 [0,0,0,0,0,0|1,1,0]=2 79 B13R2.57 CSc1ccc2nccnc2n1 62a_100012351543_200000210301 [0,0,0,0,0,0|2,1,0]=3 80 B13R2.57 CSc1ccc2nccnc2n1 62a_200000210301_100012351543 [0,0,0,0,0,0|2,1,0]=3 81 B13R2.57 CSc1ccc2ncncc2c1 62a_100009989443_200000210301 [0,0,0,0,0,0|1,1,0]=2 82 B13R2.57 CSc1ccc2ncncc2c1 62a_200000210301_100009989443 [0,0,0,0,0,0|1,1,0]=2 83 B13R2.57 CSc1ccc2nnccc2c1 62a_100010209549_200000210301 [0,0,0,0,0,0|1,1,0]=2 84 B13R2.57 CSc1ccc2nnccc2c1 62a_200000210301_100010209549 [0,0,0,0,0,0|1,1,0]=2 85 B13R2.57 CSc1cnc2ccccc2c1 62a_200000210301_100000737414 [0,0,0,0,0,0|2,1,0]=3 86 B13R2.57 CSc1cnc2ccccc2n1 62a_100000756483_200000210301 [0,0,0,0,0,0|3,1,0]=4 87 B13R2.57 CSc1cnc2ccccc2n1 62a_200000210301_100000756483 [0,0,0,0,0,0|3,1,0]=4 88 B13R2.57 CSc1cnc2cccnc2c1 62a_100010246316_200000210301 [0,0,0,0,0,0|3,1,0]=4 89 B13R2.57 CSc1cnc2cccnc2c1 62a_200000210301_100010246316 [0,0,0,0,0,0|3,1,0]=4 90 B13R2.57 CSc1cnc2ncccc2n1 62a_100000084304_200000210301 [0,0,0,0,0,0|2,1,0]=3 91 B13R2.57 CSc1cnc2ncccc2n1 62a_200000210301_100000084304 [0,0,0,0,0,0|2,1,0]=3 92 B13R2.57 CSc1cnc2nccnc2c1 62a_100000753224_200000210301 [0,0,0,0,0,0|2,1,0]=3 93 B13R2.57 CSc1cnc2nccnc2c1 62a_200000210301_100000753224 [0,0,0,0,0,0|2,1,0]=3 94 B13R2.57 CSc1ncc2ccccc2n1 62a_200000210301_100000097389 [0,0,0,0,0,0|3,1,0]=4 95 B13R2.57 [13CH3]Nc1ccc2ccccc2c1 34a_100000211940_200025704644 [0,0,0,0,0,0|2,0,0]=2 96 B13R2.57 [13CH3]Nc1ccc2ccccc2c1 7a_100000211940_200025704644 [0,0,0,0,0,0|2,0,0]=2 97 B13R2.57 [13CH3]Nc1ccc2cccnc2c1 34a_100102887122_200025704644 [0,0,0,0,0,0|3,0,0]=3 98 B13R2.57 [13CH3]Nc1ccc2cnccc2c1 34a_100000039641_200025704644 [0,0,0,0,0,0|3,0,0]=3 99 B13R2.57 [13CH3]Nc1ccc2ncccc2c1 34a_100011198106_200025704644 [0,0,0,0,0,0|1,0,0]=1 100 B13R2.57 [13CH3]Nc1ccc2nccnc2c1 34a_100011219565_200025704644 [0,0,0,0,0,0|2,0,0]=2 101 B13R2.57 [13CH3]Oc1ccc2c(c1)CCCC2 34a_100000186212_200025704644 [0,0,0,0,0,0|1,0,3]=4 102 B13R2.57 [13CH3]Oc1ccc2c(c1)CCCC2 7a_100000186212_200025704644 [0,0,0,0,0,0|1,0,3]=4 103 B13R2.57 [13CH3]Oc1ccc2c(c1)CCCN2 34a_100000070867_200025704644 [0,0,0,0,0,0|0,0,4]=4 104 B13R2.57 [13CH3]Oc1ccc2c(c1)CCNC2 34a_100000077532_200025704644 [0,0,0,0,0,0|2,0,2]=4 105 B13R2.57 [13CH3]Oc1ccc2c(c1)CCOC2 34a_100009841951_200025704644 [0,0,0,0,0,0|2,0,2]=4 106 B13R2.57 [13CH3]Oc1ccc2c(c1)CCOC2 7a_100009841951_200025704644 [0,0,0,0,0,0|2,0,2]=4 107 B13R2.57 [13CH3]Oc1ccc2c(c1)CNCC2 34a_100015185785_200025704644 [0,0,0,0,0,0|2,0,2]=4 108 B13R2.57 [13CH3]Oc1ccc2c(c1)NCCC2 34a_106638131596_200025704644 [0,0,0,0,0,0|2,0,2]=4 109 B13R2.57 [13CH3]Oc1ccc2c(c1)NCCO2 34a_100020636358_200025704644 [0,0,0,0,0,0|2,0,2]=4 110 B13R2.57 [13CH3]Oc1ccc2c(c1)OCCO2 34a_100000234341_200025704644 [0,0,0,0,0,0|2,0,2]=4 111 B13R2.57 [13CH3]Oc1ccc2ccccc2c1 34a_100000185828_200025704644 [0,0,0,0,0,0|1,0,0]=1 112 B13R2.57 [13CH3]Oc1ccc2ccccc2c1 7a_100000185828_200025704644 [0,0,0,0,0,0|1,0,0]=1 113 B13R2.57 [13CH3]Oc1ccc2cccnc2c1 34a_100011216045_200025704644 [0,0,0,0,0,0|2,0,0]=2 114 B13R2.57 [13CH3]Oc1ccc2ccncc2c1 7a_100000752006_200025704644 [0,0,0,0,0,0|2,0,0]=2 115 B13R2.57 [13CH3]Oc1ccc2cnccc2c1 34a_100000046372_200025704644 [0,0,0,0,0,0|2,0,0]=2 116 B13R2.57 [13CH3]Oc1ccc2cnccc2c1 7a_100000046372_200025704644 [0,0,0,0,0,0|2,0,0]=2 117 B13R2.57 [13CH3]Oc1ccc2ncccc2c1 34a_100011215586_200025704644 [0,0,0,0,0,0|0,0,0]=0 118 B13R2.57 [13CH3]Oc1ccc2ncccc2c1 7a_100011215586_200025704644 [0,0,0,0,0,0|0,0,0]=0 119 B13R2.57 [13CH3]Oc1ccc2nccnc2c1 34a_100000694412_200025704644 [0,0,0,0,0,0|1,0,0]=1 120 B13R2.57 [13CH3]Oc1cnc2ccccc2c1 34a_100011934006_200025704644 [0,0,0,0,0,0|2,0,0]=2 121 B13R2.57 [13CH3]Oc1cnc2ccccc2c1 7a_100011934006_200025704644 [0,0,0,0,0,0|2,0,0]=2 122 B13R2.57 [13CH3]Sc1cc2ccccc2cn1 62a_100009816522_200025704644 [0,0,0,0,0,0|2,1,0]=3 123 B13R2.57 [13CH3]Sc1cc2ccccc2cn1 62a_200025704644_100000047361 [0,0,0,0,0,0|2,1,0]=3 124 B13R2.57 [13CH3]Sc1cc2nccnc2cn1 62a_100010370699_200025704644 [0,0,0,0,0,0|2,1,0]=3 125 B13R2.57 [13CH3]Sc1cc2nccnc2cn1 62a_200025704644_100010370699 [0,0,0,0,0,0|2,1,0]=3 126 B13R2.57 [13CH3]Sc1ccc2ccccc2c1 62a_200025704644_100000233703 [0,0,0,0,0,0|1,1,0]=2 127 B13R2.57 [13CH3]Sc1ccc2ccccc2n1 62a_100011291633_200025704644 [0,0,0,0,0,0|2,1,0]=3 128 B13R2.57 [13CH3]Sc1ccc2ccccc2n1 62a_200025704644_100011291633 [0,0,0,0,0,0|2,1,0]=3 129 B13R2.57 [13CH3]Sc1ccc2cccnc2c1 62a_200025704644_100009816655 [0,0,0,0,0,0|2,1,0]=3 130 B13R2.57 [13CH3]Sc1ccc2cccnc2n1 62a_100000075685_200025704644 [0,0,0,0,0,0|3,1,0]=4 131 B13R2.57 [13CH3]Sc1ccc2cccnc2n1 62a_200025704644_100000075685 [0,0,0,0,0,0|3,1,0]=4 132 B13R2.57 [13CH3]Sc1ccc2ccncc2c1 62a_100000686496_200025704644 [0,0,0,0,0,0|2,1,0]=3 133 B13R2.57 [13CH3]Sc1ccc2ccncc2c1 62a_200025704644_100000686496 [0,0,0,0,0,0|2,1,0]=3 134 B13R2.57 [13CH3]Sc1ccc2ccncc2n1 62a_200025704644_100000020162 [0,0,0,0,0,0|3,1,0]=4 135 B13R2.57 [13CH3]Sc1ccc2cnccc2c1 62a_100009816743_200025704644 [0,0,0,0,0,0|2,1,0]=3 136 B13R2.57 [13CH3]Sc1ccc2cnccc2c1 62a_200025704644_100009816743 [0,0,0,0,0,0|2,1,0]=3 137 B13R2.57 [13CH3]Sc1ccc2cncnc2c1 62a_100010185614_200025704644 [0,0,0,0,0,0|3,1,0]=4 138 B13R2.57 [13CH3]Sc1ccc2cncnc2c1 62a_200025704644_100010185614 [0,0,0,0,0,0|3,1,0]=4 139 B13R2.57 [13CH3]Sc1ccc2cnncc2c1 62a_100010198781_200025704644 [0,0,0,0,0,0|3,1,0]=4 140 B13R2.57 [13CH3]Sc1ccc2cnncc2c1 62a_200025704644_100010198781 [0,0,0,0,0,0|3,1,0]=4 141 B13R2.57 [13CH3]Sc1ccc2ncccc2c1 62a_100011215947_200025704644 [0,0,0,0,0,0|0,1,0]=1 142 B13R2.57 [13CH3]Sc1ccc2ncccc2c1 62a_200025704644_100011215947 [0,0,0,0,0,0|0,1,0]=1 143 B13R2.57 [13CH3]Sc1ccc2ncccc2n1 62a_200025704644_100000073381 [0,0,0,0,0,0|1,1,0]=2 144 B13R2.57 [13CH3]Sc1ccc2nccnc2c1 62a_100011219451_200025704644 [0,0,0,0,0,0|1,1,0]=2 145 B13R2.57 [13CH3]Sc1ccc2nccnc2c1 62a_200025704644_100011219451 [0,0,0,0,0,0|1,1,0]=2 146 B13R2.57 [13CH3]Sc1ccc2nccnc2n1 62a_100012351543_200025704644 [0,0,0,0,0,0|2,1,0]=3 147 B13R2.57 [13CH3]Sc1ccc2nccnc2n1 62a_200025704644_100012351543 [0,0,0,0,0,0|2,1,0]=3 148 B13R2.57 [13CH3]Sc1ccc2ncncc2c1 62a_100009989443_200025704644 [0,0,0,0,0,0|1,1,0]=2 149 B13R2.57 [13CH3]Sc1ccc2ncncc2c1 62a_200025704644_100009989443 [0,0,0,0,0,0|1,1,0]=2 150 B13R2.57 [13CH3]Sc1ccc2nnccc2c1 62a_100010209549_200025704644 [0,0,0,0,0,0|1,1,0]=2 151 B13R2.57 [13CH3]Sc1ccc2nnccc2c1 62a_200025704644_100010209549 [0,0,0,0,0,0|1,1,0]=2 152 B13R2.57 [13CH3]Sc1cnc2ccccc2c1 62a_200025704644_100000737414 [0,0,0,0,0,0|2,1,0]=3 153 B13R2.57 [13CH3]Sc1cnc2ccccc2n1 62a_100000756483_200025704644 [0,0,0,0,0,0|3,1,0]=4 154 B13R2.57 [13CH3]Sc1cnc2ccccc2n1 62a_200025704644_100000756483 [0,0,0,0,0,0|3,1,0]=4 155 B13R2.57 [13CH3]Sc1cnc2cccnc2c1 62a_100010246316_200025704644 [0,0,0,0,0,0|3,1,0]=4 156 B13R2.57 [13CH3]Sc1cnc2cccnc2c1 62a_200025704644_100010246316 [0,0,0,0,0,0|3,1,0]=4 157 B13R2.57 [13CH3]Sc1cnc2ncccc2n1 62a_100000084304_200025704644 [0,0,0,0,0,0|2,1,0]=3 158 B13R2.57 [13CH3]Sc1cnc2ncccc2n1 62a_200025704644_100000084304 [0,0,0,0,0,0|2,1,0]=3 159 B13R2.57 [13CH3]Sc1cnc2nccnc2c1 62a_100000753224_200025704644 [0,0,0,0,0,0|2,1,0]=3 160 B13R2.57 [13CH3]Sc1cnc2nccnc2c1 62a_200025704644_100000753224 [0,0,0,0,0,0|2,1,0]=3 161 B13R2.57 [13CH3]Sc1ncc2ccccc2n1 62a_200025704644_100000097389 [0,0,0,0,0,0|3,1,0]=4 162 B12R2.24 Oc1cc2ccccc2cn1 271570a_203496583355_100000047361 [1,0,0,0,0,0|2,0,0]=3 163 B12R2.24 Oc1cc2nccnc2cn1 271570a_203496583355_100010370699 [1,0,0,0,0,0|2,0,0]=3 164 B12R2.24 Oc1ccc2ccccc2c1 271570a_203496583355_100000233703 [1,0,0,0,0,0|1,0,0]=2 165 B12R2.24 Oc1ccc2ccccc2n1 271570a_203496583355_100011291633 [1,0,0,0,0,0|2,0,0]=3 166 B12R2.24 Oc1ccc2cccnc2c1 271570a_203496583355_100009816655 [1,0,0,0,0,0|2,0,0]=3 167 B12R2.24 Oc1ccc2cccnc2n1 271570a_203496583355_100009888989 [1,0,0,0,0,0|3,0,0]=4 168 B12R2.24 Oc1ccc2ccncc2c1 271570a_203496583355_100000686496 [1,0,0,0,0,0|2,0,0]=3 169 B12R2.24 Oc1ccc2ccncc2n1 271570a_203496583355_100000020162 [1,0,0,0,0,0|3,0,0]=4 170 B12R2.24 Oc1ccc2cnccc2c1 271570a_203496583355_100009816743 [1,0,0,0,0,0|2,0,0]=3 171 B12R2.24 Oc1ccc2cncnc2c1 271570a_203496583355_100010185614 [1,0,0,0,0,0|3,0,0]=4 172 B12R2.24 Oc1ccc2cnncc2c1 271570a_203496583355_100010198781 [1,0,0,0,0,0|3,0,0]=4 173 B12R2.24 Oc1ccc2ncccc2c1 271570a_203496583355_100000754243 [1,0,0,0,0,0|0,0,0]=1 174 B12R2.24 Oc1ccc2ncccc2n1 271570a_203496583355_100000073381 [1,0,0,0,0,0|1,0,0]=2 175 B12R2.24 Oc1ccc2nccnc2c1 271570a_203496583355_100011219451 [1,0,0,0,0,0|1,0,0]=2 176 B12R2.24 Oc1ccc2nccnc2n1 271570a_203496583355_100012351543 [1,0,0,0,0,0|2,0,0]=3 177 B12R2.24 Oc1ccc2ncncc2c1 271570a_203496583355_100009989443 [1,0,0,0,0,0|1,0,0]=2 178 B12R2.24 Oc1ccc2nnccc2c1 271570a_203496583355_100010209549 [1,0,0,0,0,0|1,0,0]=2 179 B12R2.24 Oc1cnc2ccccc2c1 271570a_203496583355_100000737414 [1,0,0,0,0,0|2,0,0]=3 180 B12R2.24 Oc1cnc2ccccc2n1 271570a_203496583355_100000756483 [1,0,0,0,0,0|3,0,0]=4 181 B12R2.24 Oc1cnc2cccnc2c1 271570a_203496583355_100010246316 [1,0,0,0,0,0|3,0,0]=4 182 B12R2.24 Oc1cnc2ncccc2n1 271570a_203496583355_100000084304 [1,0,0,0,0,0|2,0,0]=3 183 B12R2.24 Oc1cnc2nccnc2c1 271570a_203496583355_100000753224 [1,0,0,0,0,0|2,0,0]=3 184 B12R2.24 Oc1ncc2ccccc2n1 271570a_203496583355_100000097389 [1,0,0,0,0,0|3,0,0]=4 185 B14R2.92 C=Cc1ccc2ccccc2c1Br 271570a_100011290941_200010089984 [0,1,0,0,0,0|2,0,1]=4 186 B14R2.92 C=Cc1ccc2ccccc2c1C 271570a_100011290941_100010221197 [0,1,0,0,0,0|2,0,1]=4 187 B14R2.92 C=Cc1ccc2ccccc2c1F 271570a_100011290941_100009832041 [0,1,0,0,0,0|2,0,1]=4 188 B14R2.92 C=Cc1ccc2ccccc2c1N 271570a_100011290941_100009817101 [0,1,0,0,0,0|2,0,1]=4 189 B14R2.92 C=Cc1ccc2ccccc2c1O 271570a_100011290941_100009996032 [0,1,0,0,0,0|2,0,1]=4 190 B14R2.92 C=Cc1ccc2ncccc2c1C 271570a_100011290941_200010137439 [0,1,0,0,0,0|1,0,1]=3 191 B14R2.92 C=Cc1ccc2ncccc2c1N 271570a_100011290941_200010235790 [0,1,0,0,0,0|1,0,1]=3 192 B14R2.92 C=Cc1ccc2nccnc2c1C 271570a_100011290941_100135414757 [0,1,0,0,0,0|2,0,1]=4 193 B14R2.92 CNc1ccc2ccccc2c1Br 34a_100000705303_200000210301 [0,1,0,0,0,0|2,0,0]=3 194 B14R2.92 CNc1ccc2ccccc2c1Cl 34a_100000075557_200000210301 [0,1,0,0,0,0|2,0,0]=3 195 B14R2.92 CNc1ccc2ccccc2c1O 34a_100000007060_200000210301 [0,1,0,0,0,0|2,0,0]=3 196 B14R2.92 CNc1ccc2cnccc2c1Cl 34a_100009851981_200000210301 [0,1,0,0,0,0|3,0,0]=4 197 B14R2.92 CNc1ccc2ncccc2c1Br 34a_200009995563_200000210301 [0,1,0,0,0,0|1,0,0]=2 198 B14R2.92 CNc1ccc2nccnc2c1C 27a_100102657272_100135414757 [0,1,0,0,0,0|2,0,0]=3 199 B14R2.92 COc1ccc2ccccc2c1Br 34a_100000183829_200000210301 [0,1,0,0,0,0|1,0,0]=2 200 B14R2.92 COc1ccc2ccccc2c1Br 7a_100000183829_200000210301 [0,1,0,0,0,0|1,0,0]=2 201 B14R2.92 COc1ccc2ccccc2c1C 34a_100009830054_200000210301 [0,1,0,0,0,0|1,0,0]=2 202 B14R2.92 COc1ccc2ccccc2c1C 7a_100009830054_200000210301 [0,1,0,0,0,0|1,0,0]=2 203 B14R2.92 COc1ccc2ccccc2c1Cl 34a_100000029778_200000210301 [0,1,0,0,0,0|1,0,0]=2 204 B14R2.92 COc1ccc2ccccc2c1Cl 7a_100000029778_200000210301 [0,1,0,0,0,0|1,0,0]=2 205 B14R2.92 COc1ccc2ccccc2c1I 34a_100000041551_200000210301 [0,1,0,0,0,0|1,0,0]=2 206 B14R2.92 COc1ccc2ccccc2c1I 7a_100000041551_200000210301 [0,1,0,0,0,0|1,0,0]=2 207 B14R2.92 COc1ccc2ccccc2c1N 34a_100000007056_200000210301 [0,1,0,0,0,0|1,0,0]=2 208 B14R2.92 COc1ccc2ccccc2c1N 7a_100000007056_200000210301 [0,1,0,0,0,0|1,0,0]=2 209 B14R2.92 COc1ccc2ccccc2c1O 271570a_203496583355_100000173347 [0,1,0,0,0,0|1,0,0]=2 210 B14R2.92 COc1ccc2cccnc2c1Br 34a_100010173343_200000210301 [0,1,0,0,0,0|2,0,0]=3 211 B14R2.92 COc1ccc2cccnc2c1Br 7a_100010173343_200000210301 [0,1,0,0,0,0|2,0,0]=3 212 B14R2.92 COc1ccc2cccnc2c1O 271570a_203496583355_100010071576 [0,1,0,0,0,0|2,0,0]=3 213 B14R2.92 COc1ccc2ccncc2c1Br 34a_200010115057_200000210301 [0,1,0,0,0,0|2,0,0]=3 214 B14R2.92 COc1ccc2ccncc2c1Br 7a_200010115057_200000210301 [0,1,0,0,0,0|2,0,0]=3 215 B14R2.92 COc1ccc2cnccc2c1Cl 34a_100009824633_200000210301 [0,1,0,0,0,0|2,0,0]=3 216 B14R2.92 COc1ccc2cnccc2c1Cl 7a_100009824633_200000210301 [0,1,0,0,0,0|2,0,0]=3 217 B14R2.92 CSc1c[nH]c2ccccc2c1=O 62a_200000210301_100012348052 [0,1,0,0,0,0|2,1,0]=4 218 B14R2.92 CSc1ccc2ccccc2c1Br 62a_200000210301_200010089984 [0,1,0,0,0,0|1,1,0]=3 219 B14R2.92 CSc1ccc2ccccc2c1Br 62a_200010089984_200000210301 [0,1,0,0,0,0|1,1,0]=3 220 B14R2.92 CSc1ccc2ccccc2c1C 62a_100010221197_200000210301 [0,1,0,0,0,0|1,1,0]=3 221 B14R2.92 CSc1ccc2ccccc2c1C 62a_200000210301_100010221197 [0,1,0,0,0,0|1,1,0]=3 222 B14R2.92 CSc1ccc2ccccc2c1F 62a_100009832041_200000210301 [0,1,0,0,0,0|1,1,0]=3 223 B14R2.92 CSc1ccc2ccccc2c1F 62a_200000210301_100009832041 [0,1,0,0,0,0|1,1,0]=3 224 B14R2.92 CSc1ccc2ccccc2c1N 62a_100009817101_200000210301 [0,1,0,0,0,0|1,1,0]=3 225 B14R2.92 CSc1ccc2ccccc2c1O 62a_200000210301_100009996032 [0,1,0,0,0,0|1,1,0]=3 226 B14R2.92 CSc1ccc2cccnc2c1C 62a_200000210301_100010214467 [0,1,0,0,0,0|2,1,0]=4 227 B14R2.92 CSc1ccc2cccnc2c1F 62a_100010751467_200000210301 [0,1,0,0,0,0|2,1,0]=4 228 B14R2.92 CSc1ccc2cccnc2c1F 62a_200000210301_100010751467 [0,1,0,0,0,0|2,1,0]=4 229 B14R2.92 CSc1ccc2cccnc2c1O 62a_200000210301_100009816563 [0,1,0,0,0,0|2,1,0]=4 230 B14R2.92 CSc1ccc2cnccc2c1N 62a_100010191621_200000210301 [0,1,0,0,0,0|2,1,0]=4 231 B14R2.92 CSc1ccc2cnccc2c1N 62a_200000210301_100010191621 [0,1,0,0,0,0|2,1,0]=4 232 B14R2.92 CSc1ccc2ncccc2c1C 62a_200000210301_200010137439 [0,1,0,0,0,0|0,1,0]=2 233 B14R2.92 CSc1ccc2ncccc2c1C 62a_200010137439_200000210301 [0,1,0,0,0,0|0,1,0]=2 234 B14R2.92 CSc1ccc2ncccc2c1N 62a_200010235790_200000210301 [0,1,0,0,0,0|0,1,0]=2 235 B14R2.92 CSc1ccc2nccnc2c1C 62a_100135414757_200000210301 [0,1,0,0,0,0|1,1,0]=3 236 B14R2.92 CSc1ccc2nccnc2c1C 62a_200000210301_100135414757 [0,1,0,0,0,0|1,1,0]=3 237 B14R2.92 CSc1cnc2ccccc2c1Cl 62a_200000210301_100012352519 [0,1,0,0,0,0|2,1,0]=4 238 B14R2.92 CSc1cnc2ccccc2c1N 62a_100009995562_200000210301 [0,1,0,0,0,0|2,1,0]=4 239 B14R2.92 CSc1cnc2ccccc2c1N 62a_200000210301_100009995562 [0,1,0,0,0,0|2,1,0]=4 240 B14R2.92 CSc1coc2ccccc2c1=O 62a_200000210301_100009813851 [0,1,0,0,0,0|2,1,0]=4 241 B14R2.92 CSc1ncc2ccccc2c1N 62a_100009995564_200000210301 [0,1,0,0,0,0|2,1,0]=4 242 B14R2.92 CSc1ncc2ccccc2c1N 62a_200000210301_100000087573 [0,1,0,0,0,0|2,1,0]=4 243 B14R2.92 Cc1c(ccc2c1cccc2)O[13CH3] 34a_100009830054_200025704644 [0,1,0,0,0,0|1,0,0]=2 244 B14R2.92 Cc1c(ccc2c1cccc2)O[13CH3] 7a_100009830054_200025704644 [0,1,0,0,0,0|1,0,0]=2 245 B14R2.92 Cc1c(ccc2c1cccc2)S[13CH3] 62a_100010221197_200025704644 [0,1,0,0,0,0|1,1,0]=3 246 B14R2.92 Cc1c(ccc2c1cccc2)S[13CH3] 62a_200025704644_100010221197 [0,1,0,0,0,0|1,1,0]=3 247 B14R2.92 Cc1c(ccc2c1cccn2)S[13CH3] 62a_200010137439_200025704644 [0,1,0,0,0,0|0,1,0]=2 248 B14R2.92 Cc1c(ccc2c1cccn2)S[13CH3] 62a_200025704644_200010137439 [0,1,0,0,0,0|0,1,0]=2 249 B14R2.92 Cc1c(ccc2c1nccc2)S[13CH3] 62a_200025704644_100010214467 [0,1,0,0,0,0|2,1,0]=4 250 B14R2.92 Cc1c(ccc2c1nccn2)S[13CH3] 62a_100135414757_200025704644 [0,1,0,0,0,0|1,1,0]=3 251 B14R2.92 Cc1c(ccc2c1nccn2)S[13CH3] 62a_200025704644_100135414757 [0,1,0,0,0,0|1,1,0]=3 252 B14R2.92 O=Cc1ccc2ccccc2c1O 271570a_203496583355_100009813496 [0,1,0,0,0,0|3,0,0]=4 253 B14R2.92 [13CH3]Nc1ccc2ccccc2c1Br 34a_100000705303_200025704644 [0,1,0,0,0,0|2,0,0]=3 254 B14R2.92 [13CH3]Nc1ccc2ccccc2c1Cl 34a_100000075557_200025704644 [0,1,0,0,0,0|2,0,0]=3 255 B14R2.92 [13CH3]Nc1ccc2ccccc2c1O 34a_100000007060_200025704644 [0,1,0,0,0,0|2,0,0]=3 256 B14R2.92 [13CH3]Nc1ccc2cnccc2c1Cl 34a_100009851981_200025704644 [0,1,0,0,0,0|3,0,0]=4 257 B14R2.92 [13CH3]Nc1ccc2ncccc2c1Br 34a_200009995563_200025704644 [0,1,0,0,0,0|1,0,0]=2 258 B14R2.92 [13CH3]Oc1ccc2ccccc2c1Br 34a_100000183829_200025704644 [0,1,0,0,0,0|1,0,0]=2 259 B14R2.92 [13CH3]Oc1ccc2ccccc2c1Br 7a_100000183829_200025704644 [0,1,0,0,0,0|1,0,0]=2 260 B14R2.92 [13CH3]Oc1ccc2ccccc2c1Cl 34a_100000029778_200025704644 [0,1,0,0,0,0|1,0,0]=2 261 B14R2.92 [13CH3]Oc1ccc2ccccc2c1Cl 7a_100000029778_200025704644 [0,1,0,0,0,0|1,0,0]=2 262 B14R2.92 [13CH3]Oc1ccc2ccccc2c1I 34a_100000041551_200025704644 [0,1,0,0,0,0|1,0,0]=2 263 B14R2.92 [13CH3]Oc1ccc2ccccc2c1I 7a_100000041551_200025704644 [0,1,0,0,0,0|1,0,0]=2 264 B14R2.92 [13CH3]Oc1ccc2ccccc2c1N 34a_100000007056_200025704644 [0,1,0,0,0,0|1,0,0]=2 265 B14R2.92 [13CH3]Oc1ccc2ccccc2c1N 7a_100000007056_200025704644 [0,1,0,0,0,0|1,0,0]=2 266 B14R2.92 [13CH3]Oc1ccc2cccnc2c1Br 34a_100010173343_200025704644 [0,1,0,0,0,0|2,0,0]=3 267 B14R2.92 [13CH3]Oc1ccc2cccnc2c1Br 7a_100010173343_200025704644 [0,1,0,0,0,0|2,0,0]=3 268 B14R2.92 [13CH3]Oc1ccc2ccncc2c1Br 34a_200010115057_200025704644 [0,1,0,0,0,0|2,0,0]=3 269 B14R2.92 [13CH3]Oc1ccc2ccncc2c1Br 7a_200010115057_200025704644 [0,1,0,0,0,0|2,0,0]=3 270 B14R2.92 [13CH3]Oc1ccc2cnccc2c1Cl 34a_100009824633_200025704644 [0,1,0,0,0,0|2,0,0]=3 271 B14R2.92 [13CH3]Oc1ccc2cnccc2c1Cl 7a_100009824633_200025704644 [0,1,0,0,0,0|2,0,0]=3 272 B14R2.92 [13CH3]Sc1c[nH]c2ccccc2c1=O 62a_200025704644_100012348052 [0,1,0,0,0,0|2,1,0]=4 273 B14R2.92 [13CH3]Sc1ccc2ccccc2c1Br 62a_200010089984_200025704644 [0,1,0,0,0,0|1,1,0]=3 274 B14R2.92 [13CH3]Sc1ccc2ccccc2c1Br 62a_200025704644_200010089984 [0,1,0,0,0,0|1,1,0]=3 275 B14R2.92 [13CH3]Sc1ccc2ccccc2c1F 62a_100009832041_200025704644 [0,1,0,0,0,0|1,1,0]=3 276 B14R2.92 [13CH3]Sc1ccc2ccccc2c1F 62a_200025704644_100009832041 [0,1,0,0,0,0|1,1,0]=3 277 B14R2.92 [13CH3]Sc1ccc2ccccc2c1N 62a_100009817101_200025704644 [0,1,0,0,0,0|1,1,0]=3 278 B14R2.92 [13CH3]Sc1ccc2ccccc2c1O 62a_200025704644_100009996032 [0,1,0,0,0,0|1,1,0]=3 279 B14R2.92 [13CH3]Sc1ccc2cccnc2c1F 62a_100010751467_200025704644 [0,1,0,0,0,0|2,1,0]=4 280 B14R2.92 [13CH3]Sc1ccc2cccnc2c1F 62a_200025704644_100010751467 [0,1,0,0,0,0|2,1,0]=4 281 B14R2.92 [13CH3]Sc1ccc2cccnc2c1O 62a_200025704644_100009816563 [0,1,0,0,0,0|2,1,0]=4 282 B14R2.92 [13CH3]Sc1ccc2cnccc2c1N 62a_100010191621_200025704644 [0,1,0,0,0,0|2,1,0]=4 283 B14R2.92 [13CH3]Sc1ccc2cnccc2c1N 62a_200025704644_100010191621 [0,1,0,0,0,0|2,1,0]=4 284 B14R2.92 [13CH3]Sc1ccc2ncccc2c1N 62a_200010235790_200025704644 [0,1,0,0,0,0|0,1,0]=2 285 B14R2.92 [13CH3]Sc1cnc2ccccc2c1Cl 62a_200025704644_100012352519 [0,1,0,0,0,0|2,1,0]=4 286 B14R2.92 [13CH3]Sc1cnc2ccccc2c1N 62a_100009995562_200025704644 [0,1,0,0,0,0|2,1,0]=4 287 B14R2.92 [13CH3]Sc1cnc2ccccc2c1N 62a_200025704644_100009995562 [0,1,0,0,0,0|2,1,0]=4 288 B14R2.92 [13CH3]Sc1coc2ccccc2c1=O 62a_200025704644_100009813851 [0,1,0,0,0,0|2,1,0]=4 289 B14R2.92 [13CH3]Sc1ncc2ccccc2c1N 62a_100009995564_200025704644 [0,1,0,0,0,0|2,1,0]=4 290 B14R2.92 [13CH3]Sc1ncc2ccccc2c1N 62a_200025704644_100000087573 [0,1,0,0,0,0|2,1,0]=4 291 B14R2.112 C=C=Cc1ccc2ccccc2c1 271570a_100015277604_100000233703 [0,1,0,0,0,0|2,0,1]=4 292 B14R2.112 C=C=Cc1ccc2ncccc2c1 271570a_100015277604_100000754243 [0,1,0,0,0,0|1,0,1]=3 293 B14R2.112 C=C=Cc1ccc2ncccc2n1 271570a_100015277604_100000073381 [0,1,0,0,0,0|2,0,1]=4 294 B14R2.112 C=C=Cc1ccc2nccnc2c1 271570a_100015277604_100011219451 [0,1,0,0,0,0|2,0,1]=4 295 B14R2.112 C=C=Cc1ccc2ncncc2c1 271570a_100015277604_100009989443 [0,1,0,0,0,0|2,0,1]=4 296 B14R2.112 C=C=Cc1ccc2nnccc2c1 271570a_100015277604_100010209549 [0,1,0,0,0,0|2,0,1]=4 297 B14R2.112 CC=Cc1cc2ccccc2cn1 271570a_100016259895_100000047361 [0,1,0,0,0,0|3,0,0]=4 298 B14R2.112 CC=Cc1cc2nccnc2cn1 271570a_100016259895_100010370699 [0,1,0,0,0,0|3,0,0]=4 299 B14R2.112 CC=Cc1ccc2ccccc2c1 271570a_100016259895_100000233703 [0,1,0,0,0,0|2,0,0]=3 300 B14R2.112 CC=Cc1ccc2ccccc2n1 271570a_100016259895_100011291633 [0,1,0,0,0,0|3,0,0]=4 301 B14R2.112 CC=Cc1ccc2cccnc2c1 271570a_100016259895_100009816655 [0,1,0,0,0,0|3,0,0]=4 302 B14R2.112 CC=Cc1ccc2ccncc2c1 271570a_100016259895_100000686496 [0,1,0,0,0,0|3,0,0]=4 303 B14R2.112 CC=Cc1ccc2cnccc2c1 271570a_100016259895_100009816743 [0,1,0,0,0,0|3,0,0]=4 304 B14R2.112 CC=Cc1ccc2ncccc2c1 271570a_100016259895_100000754243 [0,1,0,0,0,0|1,0,0]=2 305 B14R2.112 CC=Cc1ccc2ncccc2n1 271570a_100016259895_100000073381 [0,1,0,0,0,0|2,0,0]=3 306 B14R2.112 CC=Cc1ccc2nccnc2c1 271570a_100016259895_100011219451 [0,1,0,0,0,0|2,0,0]=3 307 B14R2.112 CC=Cc1ccc2nccnc2n1 271570a_100016259895_100012351543 [0,1,0,0,0,0|3,0,0]=4 308 B14R2.112 CC=Cc1ccc2ncncc2c1 271570a_100016259895_100009989443 [0,1,0,0,0,0|2,0,0]=3 309 B14R2.112 CC=Cc1ccc2nnccc2c1 271570a_100016259895_100010209549 [0,1,0,0,0,0|2,0,0]=3 310 B14R2.112 CC=Cc1cnc2ccccc2c1 271570a_100016259895_100000737414 [0,1,0,0,0,0|3,0,0]=4 311 B14R2.112 CC=Cc1cnc2ncccc2n1 271570a_100016259895_100000084304 [0,1,0,0,0,0|3,0,0]=4 312 B14R2.112 CC=Cc1cnc2nccnc2c1 271570a_100016259895_100000753224 [0,1,0,0,0,0|3,0,0]=4 313 B14R2.112 CCNc1cc2nccnc2cn1 27a_100015525214_100000070204 [0,1,0,0,0,0|3,0,0]=4 314 B14R2.112 CCNc1ccc2ccccc2c1 34a_100000211940_100000210202 [0,1,0,0,0,0|2,0,0]=3 315 B14R2.112 CCNc1ccc2ccccc2c1 7a_100000211940_100000210202 [0,1,0,0,0,0|2,0,0]=3 316 B14R2.112 CCNc1ccc2ccccc2n1 27a_100015525214_100011291633 [0,1,0,0,0,0|3,0,0]=4 317 B14R2.112 CCNc1ccc2cccnc2c1 34a_100102887122_100000210202 [0,1,0,0,0,0|3,0,0]=4 318 B14R2.112 CCNc1ccc2cnccc2c1 34a_100000039641_100000210202 [0,1,0,0,0,0|3,0,0]=4 319 B14R2.112 CCNc1ccc2ncccc2c1 34a_100011198106_100000210202 [0,1,0,0,0,0|1,0,0]=2 320 B14R2.112 CCNc1ccc2ncccc2n1 27a_100015525214_100000073381 [0,1,0,0,0,0|2,0,0]=3 321 B14R2.112 CCNc1ccc2nccnc2c1 27a_100015525214_100011219451 [0,1,0,0,0,0|2,0,0]=3 322 B14R2.112 CCNc1ccc2nccnc2c1 34a_100011219565_100000210202 [0,1,0,0,0,0|2,0,0]=3 323 B14R2.112 CCNc1ccc2nccnc2n1 27a_100015525214_100012351543 [0,1,0,0,0,0|3,0,0]=4 324 B14R2.112 CCNc1cnc2ncccc2n1 27a_100015525214_100000084304 [0,1,0,0,0,0|3,0,0]=4 325 B14R2.112 CCNc1cnc2nccnc2c1 27a_100015525214_100000753224 [0,1,0,0,0,0|3,0,0]=4 326 B14R2.112 CCOc1ccc2ccccc2c1 34a_100000185828_100000210202 [0,1,0,0,0,0|1,0,0]=2 327 B14R2.112 CCOc1ccc2ccccc2c1 7a_100000185828_100000210202 [0,1,0,0,0,0|1,0,0]=2 328 B14R2.112 CCOc1ccc2cccnc2c1 34a_100011216045_100000210202 [0,1,0,0,0,0|2,0,0]=3 329 B14R2.112 CCOc1ccc2ccncc2c1 7a_100000752006_100000210202 [0,1,0,0,0,0|2,0,0]=3 330 B14R2.112 CCOc1ccc2cnccc2c1 34a_100000046372_100000210202 [0,1,0,0,0,0|2,0,0]=3 331 B14R2.112 CCOc1ccc2cnccc2c1 7a_100000046372_100000210202 [0,1,0,0,0,0|2,0,0]=3 332 B14R2.112 CCOc1ccc2ncccc2c1 34a_100011215586_100000210202 [0,1,0,0,0,0|0,0,0]=1 333 B14R2.112 CCOc1ccc2ncccc2c1 7a_100011215586_100000210202 [0,1,0,0,0,0|0,0,0]=1 334 B14R2.112 CCOc1ccc2nccnc2c1 34a_100000694412_100000210202 [0,1,0,0,0,0|1,0,0]=2 335 B14R2.112 CCOc1cnc2ccccc2c1 34a_100011934006_100000210202 [0,1,0,0,0,0|2,0,0]=3 336 B14R2.112 CCOc1cnc2ccccc2c1 7a_100011934006_100000210202 [0,1,0,0,0,0|2,0,0]=3 337 B14R2.112 CCSc1cc2ccccc2cn1 62a_100000210202_100000047361 [0,1,0,0,0,0|2,1,0]=4 338 B14R2.112 CCSc1cc2ccccc2cn1 62a_100009816522_100000210202 [0,1,0,0,0,0|2,1,0]=4 339 B14R2.112 CCSc1cc2nccnc2cn1 62a_100000210202_100010370699 [0,1,0,0,0,0|2,1,0]=4 340 B14R2.112 CCSc1cc2nccnc2cn1 62a_100010370699_100000210202 [0,1,0,0,0,0|2,1,0]=4 341 B14R2.112 CCSc1ccc2ccccc2c1 62a_100000210202_100000233703 [0,1,0,0,0,0|1,1,0]=3 342 B14R2.112 CCSc1ccc2ccccc2n1 62a_100000210202_100011291633 [0,1,0,0,0,0|2,1,0]=4 343 B14R2.112 CCSc1ccc2ccccc2n1 62a_100011291633_100000210202 [0,1,0,0,0,0|2,1,0]=4 344 B14R2.112 CCSc1ccc2cccnc2c1 62a_100000210202_100009816655 [0,1,0,0,0,0|2,1,0]=4 345 B14R2.112 CCSc1ccc2ccncc2c1 62a_100000210202_100000686496 [0,1,0,0,0,0|2,1,0]=4 346 B14R2.112 CCSc1ccc2ccncc2c1 62a_100000686496_100000210202 [0,1,0,0,0,0|2,1,0]=4 347 B14R2.112 CCSc1ccc2cnccc2c1 62a_100000210202_100009816743 [0,1,0,0,0,0|2,1,0]=4 348 B14R2.112 CCSc1ccc2cnccc2c1 62a_100009816743_100000210202 [0,1,0,0,0,0|2,1,0]=4 349 B14R2.112 CCSc1ccc2ncccc2c1 62a_100000210202_100011215947 [0,1,0,0,0,0|0,1,0]=2 350 B14R2.112 CCSc1ccc2ncccc2c1 62a_100011215947_100000210202 [0,1,0,0,0,0|0,1,0]=2 351 B14R2.112 CCSc1ccc2ncccc2n1 62a_100000210202_100000073381 [0,1,0,0,0,0|1,1,0]=3 352 B14R2.112 CCSc1ccc2nccnc2c1 62a_100000210202_100011219451 [0,1,0,0,0,0|1,1,0]=3 353 B14R2.112 CCSc1ccc2nccnc2c1 62a_100011219451_100000210202 [0,1,0,0,0,0|1,1,0]=3 354 B14R2.112 CCSc1ccc2nccnc2n1 62a_100000210202_100012351543 [0,1,0,0,0,0|2,1,0]=4 355 B14R2.112 CCSc1ccc2nccnc2n1 62a_100012351543_100000210202 [0,1,0,0,0,0|2,1,0]=4 356 B14R2.112 CCSc1ccc2ncncc2c1 62a_100000210202_100009989443 [0,1,0,0,0,0|1,1,0]=3 357 B14R2.112 CCSc1ccc2ncncc2c1 62a_100009989443_100000210202 [0,1,0,0,0,0|1,1,0]=3 358 B14R2.112 CCSc1ccc2nnccc2c1 62a_100000210202_100010209549 [0,1,0,0,0,0|1,1,0]=3 359 B14R2.112 CCSc1ccc2nnccc2c1 62a_100010209549_100000210202 [0,1,0,0,0,0|1,1,0]=3 360 B14R2.112 CCSc1cnc2ccccc2c1 62a_100000210202_100000737414 [0,1,0,0,0,0|2,1,0]=4 361 B14R2.112 CCSc1cnc2ncccc2n1 62a_100000084304_100000210202 [0,1,0,0,0,0|2,1,0]=4 362 B14R2.112 CCSc1cnc2ncccc2n1 62a_100000210202_100000084304 [0,1,0,0,0,0|2,1,0]=4 363 B14R2.112 CCSc1cnc2nccnc2c1 62a_100000210202_100000753224 [0,1,0,0,0,0|2,1,0]=4 364 B14R2.112 CCSc1cnc2nccnc2c1 62a_100000753224_100000210202 [0,1,0,0,0,0|2,1,0]=4 365 B14R2.112 CNCc1cc2ccccc2cn1 207a_100102657272_100000059776 [0,1,0,0,0,0|3,0,0]=4 366 B14R2.112 CNCc1cc2ccccc2cn1 2230a_106832991635_100009869231 [0,1,0,0,0,0|3,0,0]=4 367 B14R2.112 CNCc1cc2ccccc2cn1 270004a_106832991635_100000059776 [0,1,0,0,0,0|3,0,0]=4 368 B14R2.112 CNCc1cc2ccccc2cn1 34a_100102657272_100009869231 [0,1,0,0,0,0|3,0,0]=4 369 B14R2.112 CNCc1cc2ccccc2cn1 7a_106832991635_100009869231 [0,1,0,0,0,0|3,0,0]=4 370 B14R2.112 CNCc1ccc2ccccc2c1 207a_100102657272_100000211584 [0,1,0,0,0,0|2,0,0]=3 371 B14R2.112 CNCc1ccc2ccccc2c1 2230a_100000739491_200000210301 [0,1,0,0,0,0|2,0,0]=3 372 B14R2.112 CNCc1ccc2ccccc2c1 2230a_106832991635_100011216711 [0,1,0,0,0,0|2,0,0]=3 373 B14R2.112 CNCc1ccc2ccccc2c1 270004a_106832991635_100000211584 [0,1,0,0,0,0|2,0,0]=3 374 B14R2.112 CNCc1ccc2ccccc2c1 34a_100000739491_200000210301 [0,1,0,0,0,0|2,0,0]=3 375 B14R2.112 CNCc1ccc2ccccc2c1 34a_100102657272_100011216711 [0,1,0,0,0,0|2,0,0]=3 376 B14R2.112 CNCc1ccc2ccccc2c1 7a_106832991635_100011216711 [0,1,0,0,0,0|2,0,0]=3 377 B14R2.112 CNCc1ccc2ccccc2n1 207a_100102657272_100000759686 [0,1,0,0,0,0|3,0,0]=4 378 B14R2.112 CNCc1ccc2ccccc2n1 2230a_106832991635_100000737579 [0,1,0,0,0,0|3,0,0]=4 379 B14R2.112 CNCc1ccc2ccccc2n1 270004a_106832991635_100000759686 [0,1,0,0,0,0|3,0,0]=4 380 B14R2.112 CNCc1ccc2ccccc2n1 34a_100102657272_100000737579 [0,1,0,0,0,0|3,0,0]=4 381 B14R2.112 CNCc1ccc2ccccc2n1 7a_106832991635_100000737579 [0,1,0,0,0,0|3,0,0]=4 382 B14R2.112 CNCc1ccc2cccnc2c1 207a_100102657272_100011784159 [0,1,0,0,0,0|3,0,0]=4 383 B14R2.112 CNCc1ccc2cccnc2c1 270004a_106832991635_100011784159 [0,1,0,0,0,0|3,0,0]=4 384 B14R2.112 CNCc1ccc2cnccc2c1 207a_100102657272_100000068276 [0,1,0,0,0,0|3,0,0]=4 385 B14R2.112 CNCc1ccc2cnccc2c1 2230a_106832991635_100020605334 [0,1,0,0,0,0|3,0,0]=4 386 B14R2.112 CNCc1ccc2cnccc2c1 270004a_106832991635_100000068276 [0,1,0,0,0,0|3,0,0]=4 387 B14R2.112 CNCc1ccc2cnccc2c1 34a_100102657272_100020605334 [0,1,0,0,0,0|3,0,0]=4 388 B14R2.112 CNCc1ccc2cnccc2c1 7a_106832991635_100020605334 [0,1,0,0,0,0|3,0,0]=4 389 B14R2.112 CNCc1ccc2ncccc2c1 207a_100102657272_100000211315 [0,1,0,0,0,0|1,0,0]=2 390 B14R2.112 CNCc1ccc2ncccc2c1 2230a_106832991635_100000703657 [0,1,0,0,0,0|1,0,0]=2 391 B14R2.112 CNCc1ccc2ncccc2c1 270004a_106832991635_100000211315 [0,1,0,0,0,0|1,0,0]=2 392 B14R2.112 CNCc1ccc2ncccc2c1 34a_100000238500_200000210301 [0,1,0,0,0,0|1,0,0]=2 393 B14R2.112 CNCc1ccc2ncccc2c1 34a_100102657272_100000703657 [0,1,0,0,0,0|1,0,0]=2 394 B14R2.112 CNCc1ccc2ncccc2c1 7a_106832991635_100000703657 [0,1,0,0,0,0|1,0,0]=2 395 B14R2.112 CNCc1ccc2nccnc2c1 2230a_106832991635_200011762199 [0,1,0,0,0,0|2,0,0]=3 396 B14R2.112 CNCc1ccc2nccnc2c1 270004a_106832991635_100000239887 [0,1,0,0,0,0|2,0,0]=3 397 B14R2.112 CNCc1ccc2nccnc2c1 7a_106832991635_200011762199 [0,1,0,0,0,0|2,0,0]=3 398 B14R2.112 CNCc1cnc2ccccc2c1 207a_100102657272_100000750898 [0,1,0,0,0,0|3,0,0]=4 399 B14R2.112 CNCc1cnc2ccccc2c1 270004a_106832991635_100000750898 [0,1,0,0,0,0|3,0,0]=4 400 B14R2.112 CNCc1cnc2ccccc2c1 34a_100000742225_200000210301 [0,1,0,0,0,0|3,0,0]=4 401 B14R2.112 COCc1cc2ccccc2cn1 34a_100138415774_100009869231 [0,1,0,0,0,0|2,0,0]=3 402 B14R2.112 COCc1ccc2ccccc2c1 34a_100011215330_200000210301 [0,1,0,0,0,0|1,0,0]=2 403 B14R2.112 COCc1ccc2ccccc2c1 34a_100138415774_100011216711 [0,1,0,0,0,0|1,0,0]=2 404 B14R2.112 COCc1ccc2ccccc2c1 7a_100011215330_200000210301 [0,1,0,0,0,0|1,0,0]=2 405 B14R2.112 COCc1ccc2ccccc2n1 34a_100138415774_100000737579 [0,1,0,0,0,0|2,0,0]=3 406 B14R2.112 COCc1ccc2cnccc2c1 34a_100138415774_100020605334 [0,1,0,0,0,0|2,0,0]=3 407 B14R2.112 COCc1ccc2ncccc2c1 34a_100011315636_200000210301 [0,1,0,0,0,0|0,0,0]=1 408 B14R2.112 COCc1ccc2ncccc2c1 34a_100138415774_100000703657 [0,1,0,0,0,0|0,0,0]=1 409 B14R2.112 COCc1cnc2ccccc2c1 34a_100011258773_200000210301 [0,1,0,0,0,0|2,0,0]=3 410 B14R2.112 COCc1ncc2ccccc2n1 34a_100138415774_100009868571 [0,1,0,0,0,0|3,0,0]=4 411 B14R2.112 CSCc1cc2ccccc2cn1 62a_100009869231_200000210301 [0,1,0,0,0,0|2,1,0]=4 412 B14R2.112 CSCc1cc2ccccc2cn1 62a_200000210301_100009869231 [0,1,0,0,0,0|2,1,0]=4 413 B14R2.112 CSCc1ccc2ccccc2c1 62a_100011216711_200000210301 [0,1,0,0,0,0|1,1,0]=3 414 B14R2.112 CSCc1ccc2ccccc2c1 62a_200000210301_100011216711 [0,1,0,0,0,0|1,1,0]=3 415 B14R2.112 CSCc1ccc2ccccc2n1 62a_100000737579_200000210301 [0,1,0,0,0,0|2,1,0]=4 416 B14R2.112 CSCc1ccc2ccccc2n1 62a_200000210301_100000737579 [0,1,0,0,0,0|2,1,0]=4 417 B14R2.112 CSCc1ccc2cnccc2c1 62a_100020605334_200000210301 [0,1,0,0,0,0|2,1,0]=4 418 B14R2.112 CSCc1ccc2cnccc2c1 62a_200000210301_100020605334 [0,1,0,0,0,0|2,1,0]=4 419 B14R2.112 CSCc1ccc2ncccc2c1 62a_100000703657_200000210301 [0,1,0,0,0,0|0,1,0]=2 420 B14R2.112 CSCc1ccc2ncccc2c1 62a_200000210301_100000703657 [0,1,0,0,0,0|0,1,0]=2 421 B14R2.112 CSCc1ccc2nccnc2c1 62a_200000210301_200011762199 [0,1,0,0,0,0|1,1,0]=3 422 B14R2.112 CSCc1ccc2nccnc2c1 62a_200011762199_200000210301 [0,1,0,0,0,0|1,1,0]=3 423 B14R2.112 FCNc1ccc2ccccc2c1 34a_100000211940_100015361967 [0,1,0,0,0,0|2,0,0]=3 424 B14R2.112 FCNc1ccc2ccccc2c1 7a_100000211940_100015361967 [0,1,0,0,0,0|2,0,0]=3 425 B14R2.112 FCNc1ccc2cccnc2c1 34a_100102887122_100015361967 [0,1,0,0,0,0|3,0,0]=4 426 B14R2.112 FCNc1ccc2cnccc2c1 34a_100000039641_100015361967 [0,1,0,0,0,0|3,0,0]=4 427 B14R2.112 FCNc1ccc2ncccc2c1 34a_100011198106_100015361967 [0,1,0,0,0,0|1,0,0]=2 428 B14R2.112 FCNc1ccc2nccnc2c1 34a_100011219565_100015361967 [0,1,0,0,0,0|2,0,0]=3 429 B14R2.112 FCOc1ccc2ccccc2c1 34a_100000185828_100015361967 [0,1,0,0,0,0|1,0,0]=2 430 B14R2.112 FCOc1ccc2ccccc2c1 7a_100000185828_100015361967 [0,1,0,0,0,0|1,0,0]=2 431 B14R2.112 FCOc1ccc2cccnc2c1 34a_100011216045_100015361967 [0,1,0,0,0,0|2,0,0]=3 432 B14R2.112 FCOc1ccc2ccncc2c1 7a_100000752006_100015361967 [0,1,0,0,0,0|2,0,0]=3 433 B14R2.112 FCOc1ccc2cnccc2c1 34a_100000046372_100015361967 [0,1,0,0,0,0|2,0,0]=3 434 B14R2.112 FCOc1ccc2cnccc2c1 7a_100000046372_100015361967 [0,1,0,0,0,0|2,0,0]=3 435 B14R2.112 FCOc1ccc2ncccc2c1 34a_100011215586_100015361967 [0,1,0,0,0,0|0,0,0]=1 436 B14R2.112 FCOc1ccc2ncccc2c1 7a_100011215586_100015361967 [0,1,0,0,0,0|0,0,0]=1 437 B14R2.112 FCOc1ccc2nccnc2c1 34a_100000694412_100015361967 [0,1,0,0,0,0|1,0,0]=2 438 B14R2.112 FCOc1cnc2ccccc2c1 34a_100011934006_100015361967 [0,1,0,0,0,0|2,0,0]=3 439 B14R2.112 FCOc1cnc2ccccc2c1 7a_100011934006_100015361967 [0,1,0,0,0,0|2,0,0]=3 440 B14R2.112 FCSc1cc2ccccc2cn1 62a_100009816522_100015361967 [0,1,0,0,0,0|2,1,0]=4 441 B14R2.112 FCSc1cc2ccccc2cn1 62a_100015361967_100000047361 [0,1,0,0,0,0|2,1,0]=4 442 B14R2.112 FCSc1cc2nccnc2cn1 62a_100010370699_100015361967 [0,1,0,0,0,0|2,1,0]=4 443 B14R2.112 FCSc1cc2nccnc2cn1 62a_100015361967_100010370699 [0,1,0,0,0,0|2,1,0]=4 444 B14R2.112 FCSc1ccc2ccccc2c1 62a_100015361967_100000233703 [0,1,0,0,0,0|1,1,0]=3 445 B14R2.112 FCSc1ccc2ccccc2n1 62a_100011291633_100015361967 [0,1,0,0,0,0|2,1,0]=4 446 B14R2.112 FCSc1ccc2ccccc2n1 62a_100015361967_100011291633 [0,1,0,0,0,0|2,1,0]=4 447 B14R2.112 FCSc1ccc2cccnc2c1 62a_100015361967_100009816655 [0,1,0,0,0,0|2,1,0]=4 448 B14R2.112 FCSc1ccc2ccncc2c1 62a_100000686496_100015361967 [0,1,0,0,0,0|2,1,0]=4 449 B14R2.112 FCSc1ccc2ccncc2c1 62a_100015361967_100000686496 [0,1,0,0,0,0|2,1,0]=4 450 B14R2.112 FCSc1ccc2cnccc2c1 62a_100009816743_100015361967 [0,1,0,0,0,0|2,1,0]=4 451 B14R2.112 FCSc1ccc2cnccc2c1 62a_100015361967_100009816743 [0,1,0,0,0,0|2,1,0]=4 452 B14R2.112 FCSc1ccc2ncccc2c1 62a_100011215947_100015361967 [0,1,0,0,0,0|0,1,0]=2 453 B14R2.112 FCSc1ccc2ncccc2c1 62a_100015361967_100011215947 [0,1,0,0,0,0|0,1,0]=2 454 B14R2.112 FCSc1ccc2ncccc2n1 62a_100015361967_100000073381 [0,1,0,0,0,0|1,1,0]=3 455 B14R2.112 FCSc1ccc2nccnc2c1 62a_100011219451_100015361967 [0,1,0,0,0,0|1,1,0]=3 456 B14R2.112 FCSc1ccc2nccnc2c1 62a_100015361967_100011219451 [0,1,0,0,0,0|1,1,0]=3 457 B14R2.112 FCSc1ccc2nccnc2n1 62a_100012351543_100015361967 [0,1,0,0,0,0|2,1,0]=4 458 B14R2.112 FCSc1ccc2nccnc2n1 62a_100015361967_100012351543 [0,1,0,0,0,0|2,1,0]=4 459 B14R2.112 FCSc1ccc2ncncc2c1 62a_100009989443_100015361967 [0,1,0,0,0,0|1,1,0]=3 460 B14R2.112 FCSc1ccc2ncncc2c1 62a_100015361967_100009989443 [0,1,0,0,0,0|1,1,0]=3 461 B14R2.112 FCSc1ccc2nnccc2c1 62a_100010209549_100015361967 [0,1,0,0,0,0|1,1,0]=3 462 B14R2.112 FCSc1ccc2nnccc2c1 62a_100015361967_100010209549 [0,1,0,0,0,0|1,1,0]=3 463 B14R2.112 FCSc1cnc2ccccc2c1 62a_100015361967_100000737414 [0,1,0,0,0,0|2,1,0]=4 464 B14R2.112 FCSc1cnc2ncccc2n1 62a_100000084304_100015361967 [0,1,0,0,0,0|2,1,0]=4 465 B14R2.112 FCSc1cnc2ncccc2n1 62a_100015361967_100000084304 [0,1,0,0,0,0|2,1,0]=4 466 B14R2.112 FCSc1cnc2nccnc2c1 62a_100000753224_100015361967 [0,1,0,0,0,0|2,1,0]=4 467 B14R2.112 FCSc1cnc2nccnc2c1 62a_100015361967_100000753224 [0,1,0,0,0,0|2,1,0]=4 468 B14R2.112 [13CH3]NCc1ccc2ccccc2c1 2230a_100000739491_200025704644 [0,1,0,0,0,0|2,0,0]=3 469 B14R2.112 [13CH3]NCc1ccc2ccccc2c1 34a_100000739491_200025704644 [0,1,0,0,0,0|2,0,0]=3 470 B14R2.112 [13CH3]NCc1ccc2ncccc2c1 34a_100000238500_200025704644 [0,1,0,0,0,0|1,0,0]=2 471 B14R2.112 [13CH3]NCc1cnc2ccccc2c1 34a_100000742225_200025704644 [0,1,0,0,0,0|3,0,0]=4 472 B14R2.112 [13CH3]OCc1ccc2ccccc2c1 34a_100011215330_200025704644 [0,1,0,0,0,0|1,0,0]=2 473 B14R2.112 [13CH3]OCc1ccc2ccccc2c1 7a_100011215330_200025704644 [0,1,0,0,0,0|1,0,0]=2 474 B14R2.112 [13CH3]OCc1ccc2ncccc2c1 34a_100011315636_200025704644 [0,1,0,0,0,0|0,0,0]=1 475 B14R2.112 [13CH3]OCc1cnc2ccccc2c1 34a_100011258773_200025704644 [0,1,0,0,0,0|2,0,0]=3 476 B14R2.112 [13CH3]SCc1cc2ccccc2cn1 62a_100009869231_200025704644 [0,1,0,0,0,0|2,1,0]=4 477 B14R2.112 [13CH3]SCc1cc2ccccc2cn1 62a_200025704644_100009869231 [0,1,0,0,0,0|2,1,0]=4 478 B14R2.112 [13CH3]SCc1ccc2ccccc2c1 62a_100011216711_200025704644 [0,1,0,0,0,0|1,1,0]=3 479 B14R2.112 [13CH3]SCc1ccc2ccccc2c1 62a_200025704644_100011216711 [0,1,0,0,0,0|1,1,0]=3 480 B14R2.112 [13CH3]SCc1ccc2ccccc2n1 62a_100000737579_200025704644 [0,1,0,0,0,0|2,1,0]=4 481 B14R2.112 [13CH3]SCc1ccc2ccccc2n1 62a_200025704644_100000737579 [0,1,0,0,0,0|2,1,0]=4 482 B14R2.112 [13CH3]SCc1ccc2cnccc2c1 62a_100020605334_200025704644 [0,1,0,0,0,0|2,1,0]=4 483 B14R2.112 [13CH3]SCc1ccc2cnccc2c1 62a_200025704644_100020605334 [0,1,0,0,0,0|2,1,0]=4 484 B14R2.112 [13CH3]SCc1ccc2ncccc2c1 62a_100000703657_200025704644 [0,1,0,0,0,0|0,1,0]=2 485 B14R2.112 [13CH3]SCc1ccc2ncccc2c1 62a_200025704644_100000703657 [0,1,0,0,0,0|0,1,0]=2 486 B14R2.112 [13CH3]SCc1ccc2nccnc2c1 62a_200011762199_200025704644 [0,1,0,0,0,0|1,1,0]=3 487 B14R2.112 [13CH3]SCc1ccc2nccnc2c1 62a_200025704644_200011762199 [0,1,0,0,0,0|1,1,0]=3 488 B14R2.134 C=Cc1ccc2ccc(cc2c1)N 271570a_100011290941_100010090036 [0,1,0,0,0,0|2,0,1]=4 489 B14R2.134 C=Cc1ccc2ccc(cc2c1)O 271570a_100011290941_100009816537 [0,1,0,0,0,0|2,0,1]=4 490 B14R2.134 C=Cc1ccc2ncc(cc2c1)Br 271570a_100011290941_200010254249 [0,1,0,0,0,0|1,0,1]=3 491 B14R2.134 C=Cc1ccc2ncc(cc2c1)C 271570a_100011290941_100009817055 [0,1,0,0,0,0|1,0,1]=3 492 B14R2.134 C=Cc1ccc2ncc(cc2c1)O 271570a_100011290941_100000703654 [0,1,0,0,0,0|1,0,1]=3 493 B14R2.134 C=Cc1ccc2ncc(cc2n1)F 271570a_100011290941_100009889179 [0,1,0,0,0,0|2,0,1]=4 494 B14R2.134 C=Cc1ccc2ncc(nc2c1)N 271570a_100011290941_100010090528 [0,1,0,0,0,0|2,0,1]=4 495 B14R2.134 C=Cc1ccc2ncc(nc2c1)O 271570a_100011290941_100010000190 [0,1,0,0,0,0|2,0,1]=4 496 B14R2.134 CNc1ccc2ccc(cc2c1)Br 34a_100010090036_200000210301 [0,1,0,0,0,0|2,0,0]=3 497 B14R2.134 CNc1ccc2ccc(cc2c1)Br 7a_100010090036_200000210301 [0,1,0,0,0,0|2,0,0]=3 498 B14R2.134 CNc1ccc2ccc(cc2c1)O 34a_100015378740_200000210301 [0,1,0,0,0,0|2,0,0]=3 499 B14R2.134 CNc1ccc2ccc(cc2c1)O 7a_100015378740_200000210301 [0,1,0,0,0,0|2,0,0]=3 500 B14R2.134 CNc1ccc2ncc(cc2c1)Br 34a_100009888932_200000210301 [0,1,0,0,0,0|1,0,0]=2 501 B14R2.134 CNc1ccc2ncc(cc2n1)F 27a_100102657272_100009889179 [0,1,0,0,0,0|2,0,0]=3 502 B14R2.134 COc1cc2cc(ccc2cn1)F 34a_200000101709_200000210301 [0,1,0,0,0,0|2,0,0]=3 503 B14R2.134 COc1ccc2c(c1)CC(=O)CC2 34a_200000081095_200000210301 [0,1,0,0,0,0|1,0,2]=4 504 B14R2.134 COc1ccc2c(c1)CC(=O)CC2 7a_200000081095_200000210301 [0,1,0,0,0,0|1,0,2]=4 505 B14R2.134 COc1ccc2c(c1)NC(=O)CC2 34a_100000708604_200000210301 [0,1,0,0,0,0|2,0,1]=4 506 B14R2.134 COc1ccc2c(c1)NC(=O)CO2 34a_100009876821_200000210301 [0,1,0,0,0,0|2,0,1]=4 507 B14R2.134 COc1ccc2c(c1)OC(=O)CC2 7a_100000044819_200000210301 [0,1,0,0,0,0|2,0,1]=4 508 B14R2.134 COc1ccc2ccc(=O)oc2c1 34a_100000185914_200000210301 [0,1,0,0,0,0|2,0,0]=3 509 B14R2.134 COc1ccc2ccc(=O)oc2c1 7a_100000185914_200000210301 [0,1,0,0,0,0|2,0,0]=3 510 B14R2.134 COc1ccc2ccc(cc2c1)Br 34a_100009816537_200000210301 [0,1,0,0,0,0|1,0,0]=2 511 B14R2.134 COc1ccc2ccc(cc2c1)Br 7a_100009816537_200000210301 [0,1,0,0,0,0|1,0,0]=2 512 B14R2.134 COc1ccc2ccc(cc2c1)C 34a_100000091598_200000210301 [0,1,0,0,0,0|1,0,0]=2 513 B14R2.134 COc1ccc2ccc(cc2c1)C 7a_100000091598_200000210301 [0,1,0,0,0,0|1,0,0]=2 514 B14R2.134 COc1ccc2ccc(cc2c1)N 34a_100015378740_200000210301 [0,1,0,0,0,0|1,0,0]=2 515 B14R2.134 COc1ccc2ccc(cc2c1)N 7a_100015378740_200000210301 [0,1,0,0,0,0|1,0,0]=2 516 B14R2.134 COc1ccc2ccc(cc2c1)O 271570a_203496583355_100010090027 [0,1,0,0,0,0|1,0,0]=2 517 B14R2.134 COc1ccc2ccc(cc2n1)O 271570a_203496583355_100010248626 [0,1,0,0,0,0|2,0,0]=3 518 B14R2.134 COc1ccc2ccc(nc2c1)C 34a_100009867695_200000210301 [0,1,0,0,0,0|2,0,0]=3 519 B14R2.134 COc1ccc2ccc(nc2c1)C 7a_100009867695_200000210301 [0,1,0,0,0,0|2,0,0]=3 520 B14R2.134 COc1ccc2ccc(nc2c1)Cl 34a_100000079174_200000210301 [0,1,0,0,0,0|2,0,0]=3 521 B14R2.134 COc1ccc2ccc(nc2c1)Cl 7a_100000079174_200000210301 [0,1,0,0,0,0|2,0,0]=3 522 B14R2.134 COc1ccc2ccc(nc2c1)O 271570a_203496583355_100009877240 [0,1,0,0,0,0|2,0,0]=3 523 B14R2.134 COc1ccc2cnc(nc2c1)O 271570a_203496583355_100000059825 [0,1,0,0,0,0|3,0,0]=4 524 B14R2.134 COc1ccc2ncc(cc2c1)Br 34a_100010137430_200000210301 [0,1,0,0,0,0|0,0,0]=1 525 B14R2.134 COc1ccc2ncc(cc2c1)Br 7a_100010137430_200000210301 [0,1,0,0,0,0|0,0,0]=1 526 B14R2.134 COc1ccc2ncc(cc2c1)Cl 34a_100009869629_200000210301 [0,1,0,0,0,0|0,0,0]=1 527 B14R2.134 COc1ccc2ncc(cc2c1)Cl 7a_100009869629_200000210301 [0,1,0,0,0,0|0,0,0]=1 528 B14R2.134 COc1ccc2ncc(cc2c1)F 34a_100009845357_200000210301 [0,1,0,0,0,0|0,0,0]=1 529 B14R2.134 COc1ccc2ncc(cc2c1)F 7a_100009845357_200000210301 [0,1,0,0,0,0|0,0,0]=1 530 B14R2.134 COc1ccc2ncc(cc2c1)O 271570a_203496583355_100000700671 [0,1,0,0,0,0|0,0,0]=1 531 B14R2.134 COc1ccc2ncc(nc2c1)Cl 34a_200020640061_200000210301 [0,1,0,0,0,0|1,0,0]=2 532 B14R2.134 COc1ccc2ncc(nc2c1)O 271570a_203496583355_100009882714 [0,1,0,0,0,0|1,0,0]=2 533 B14R2.134 COc1cnc2ccc(cc2c1)Br 34a_100000703654_200000210301 [0,1,0,0,0,0|2,0,0]=3 534 B14R2.134 COc1cnc2ccc(cc2c1)Br 7a_100000703654_200000210301 [0,1,0,0,0,0|2,0,0]=3 535 B14R2.134 COc1cnc2ccc(cc2n1)O 271570a_203496583355_100010293655 [0,1,0,0,0,0|3,0,0]=4 536 B14R2.134 CSc1cc2cc(ccc2cn1)F 62a_100009828686_200000210301 [0,1,0,0,0,0|2,1,0]=4 537 B14R2.134 CSc1cc2cc(ccc2cn1)F 62a_200000210301_100009828686 [0,1,0,0,0,0|2,1,0]=4 538 B14R2.134 CSc1ccc2cc[n+](cc2c1)[O-] 62a_200000210301_100009816120 [0,1,0,0,0,0|2,1,0]=4 539 B14R2.134 CSc1ccc2ccc(=O)oc2c1 62a_200000210301_100009993525 [0,1,0,0,0,0|2,1,0]=4 540 B14R2.134 CSc1ccc2ccc(cc2c1)N 62a_100010090036_200000210301 [0,1,0,0,0,0|1,1,0]=3 541 B14R2.134 CSc1ccc2ccc(cc2c1)N 62a_200000210301_100010090036 [0,1,0,0,0,0|1,1,0]=3 542 B14R2.134 CSc1ccc2ccc(cc2c1)O 62a_200000210301_100009816537 [0,1,0,0,0,0|1,1,0]=3 543 B14R2.134 CSc1ccc2ccc(cc2n1)O 62a_200000210301_100000079174 [0,1,0,0,0,0|2,1,0]=4 544 B14R2.134 CSc1ccc2ccc(nc2c1)C 62a_100009817087_200000210301 [0,1,0,0,0,0|2,1,0]=4 545 B14R2.134 CSc1ccc2ccc(nc2c1)C 62a_200000210301_100009817087 [0,1,0,0,0,0|2,1,0]=4 546 B14R2.134 CSc1ccc2ccc(nc2c1)N 62a_100010187616_200000210301 [0,1,0,0,0,0|2,1,0]=4 547 B14R2.134 CSc1ccc2ccc(nc2c1)O 62a_200000210301_100000690401 [0,1,0,0,0,0|2,1,0]=4 548 B14R2.134 CSc1ccc2cnc(cc2c1)F 62a_100010291885_200000210301 [0,1,0,0,0,0|2,1,0]=4 549 B14R2.134 CSc1ccc2cnc(cc2c1)F 62a_200000210301_100010291885 [0,1,0,0,0,0|2,1,0]=4 550 B14R2.134 CSc1ccc2cnc(cc2c1)N 62a_100009817123_200000210301 [0,1,0,0,0,0|2,1,0]=4 551 B14R2.134 CSc1ccc2cnc(cc2c1)N 62a_200000210301_100009817123 [0,1,0,0,0,0|2,1,0]=4 552 B14R2.134 CSc1ccc2cnc(cc2c1)O 62a_200000210301_100009817130 [0,1,0,0,0,0|2,1,0]=4 553 B14R2.134 CSc1ccc2ncc(cc2c1)Br 62a_200000210301_200010254249 [0,1,0,0,0,0|0,1,0]=2 554 B14R2.134 CSc1ccc2ncc(cc2c1)Br 62a_200010254249_200000210301 [0,1,0,0,0,0|0,1,0]=2 555 B14R2.134 CSc1ccc2ncc(cc2c1)C 62a_200000210301_100009817055 [0,1,0,0,0,0|0,1,0]=2 556 B14R2.134 CSc1ccc2ncc(cc2c1)O 62a_200000210301_100000703654 [0,1,0,0,0,0|0,1,0]=2 557 B14R2.134 CSc1ccc2ncc(cc2n1)F 62a_100009889179_200000210301 [0,1,0,0,0,0|1,1,0]=3 558 B14R2.134 CSc1ccc2ncc(cc2n1)F 62a_200000210301_100009889179 [0,1,0,0,0,0|1,1,0]=3 559 B14R2.134 CSc1ccc2ncc(nc2c1)N 62a_100010090528_200000210301 [0,1,0,0,0,0|1,1,0]=3 560 B14R2.134 CSc1ccc2ncc(nc2c1)N 62a_200000210301_100010090528 [0,1,0,0,0,0|1,1,0]=3 561 B14R2.134 CSc1ccc2ncc(nc2c1)O 62a_200000210301_100010000190 [0,1,0,0,0,0|1,1,0]=3 562 B14R2.134 CSc1cnc2ccc(cc2c1)Br 62a_100010740133_200000210301 [0,1,0,0,0,0|2,1,0]=4 563 B14R2.134 CSc1cnc2ccc(cc2c1)Br 62a_200000210301_100010740133 [0,1,0,0,0,0|2,1,0]=4 564 B14R2.134 CSc1cnc2ccc(cc2c1)C 62a_200000210301_100015841224 [0,1,0,0,0,0|2,1,0]=4 565 B14R2.134 CSc1cnc2ccc(cc2c1)Cl 62a_100015929906_200000210301 [0,1,0,0,0,0|2,1,0]=4 566 B14R2.134 CSc1cnc2ccc(cc2c1)Cl 62a_200000210301_100015929906 [0,1,0,0,0,0|2,1,0]=4 567 B14R2.134 CSc1cnc2ccc(cc2c1)N 62a_100009888932_200000210301 [0,1,0,0,0,0|2,1,0]=4 568 B14R2.134 CSc1cnc2ccc(cc2c1)N 62a_200000210301_100009888932 [0,1,0,0,0,0|2,1,0]=4 569 B14R2.134 CSc1cnc2ccc(cc2c1)O 62a_200000210301_100010137430 [0,1,0,0,0,0|2,1,0]=4 570 B14R2.134 Cc1ccc2ccc(cc2c1)O[13CH3] 34a_100000091598_200025704644 [0,1,0,0,0,0|1,0,0]=2 571 B14R2.134 Cc1ccc2ccc(cc2c1)O[13CH3] 7a_100000091598_200025704644 [0,1,0,0,0,0|1,0,0]=2 572 B14R2.134 Cc1ccc2ccc(cc2n1)O[13CH3] 34a_100009867695_200025704644 [0,1,0,0,0,0|2,0,0]=3 573 B14R2.134 Cc1ccc2ccc(cc2n1)O[13CH3] 7a_100009867695_200025704644 [0,1,0,0,0,0|2,0,0]=3 574 B14R2.134 Cc1ccc2ccc(cc2n1)S[13CH3] 62a_100009817087_200025704644 [0,1,0,0,0,0|2,1,0]=4 575 B14R2.134 Cc1ccc2ccc(cc2n1)S[13CH3] 62a_200025704644_100009817087 [0,1,0,0,0,0|2,1,0]=4 576 B14R2.134 Cc1ccc2ncc(cc2c1)S[13CH3] 62a_200025704644_100015841224 [0,1,0,0,0,0|2,1,0]=4 577 B14R2.134 Cc1cnc2ccc(cc2c1)S[13CH3] 62a_200025704644_100009817055 [0,1,0,0,0,0|0,1,0]=2 578 B14R2.134 O=Cc1ccc2ccc(cc2c1)O 271570a_203496583355_100010200085 [0,1,0,0,0,0|3,0,0]=4 579 B14R2.134 [13CH3]Nc1ccc2ccc(cc2c1)Br 34a_100010090036_200025704644 [0,1,0,0,0,0|2,0,0]=3 580 B14R2.134 [13CH3]Nc1ccc2ccc(cc2c1)Br 7a_100010090036_200025704644 [0,1,0,0,0,0|2,0,0]=3 581 B14R2.134 [13CH3]Nc1ccc2ccc(cc2c1)O 34a_100015378740_200025704644 [0,1,0,0,0,0|2,0,0]=3 582 B14R2.134 [13CH3]Nc1ccc2ccc(cc2c1)O 7a_100015378740_200025704644 [0,1,0,0,0,0|2,0,0]=3 583 B14R2.134 [13CH3]Nc1ccc2ncc(cc2c1)Br 34a_100009888932_200025704644 [0,1,0,0,0,0|1,0,0]=2 584 B14R2.134 [13CH3]Oc1cc2cc(ccc2cn1)F 34a_200000101709_200025704644 [0,1,0,0,0,0|2,0,0]=3 585 B14R2.134 [13CH3]Oc1ccc2c(c1)CC(=O)CC2 34a_200000081095_200025704644 [0,1,0,0,0,0|1,0,2]=4 586 B14R2.134 [13CH3]Oc1ccc2c(c1)CC(=O)CC2 7a_200000081095_200025704644 [0,1,0,0,0,0|1,0,2]=4 587 B14R2.134 [13CH3]Oc1ccc2c(c1)NC(=O)CC2 34a_100000708604_200025704644 [0,1,0,0,0,0|2,0,1]=4 588 B14R2.134 [13CH3]Oc1ccc2c(c1)NC(=O)CO2 34a_100009876821_200025704644 [0,1,0,0,0,0|2,0,1]=4 589 B14R2.134 [13CH3]Oc1ccc2c(c1)OC(=O)CC2 7a_100000044819_200025704644 [0,1,0,0,0,0|2,0,1]=4 590 B14R2.134 [13CH3]Oc1ccc2ccc(=O)oc2c1 34a_100000185914_200025704644 [0,1,0,0,0,0|2,0,0]=3 591 B14R2.134 [13CH3]Oc1ccc2ccc(=O)oc2c1 7a_100000185914_200025704644 [0,1,0,0,0,0|2,0,0]=3 592 B14R2.134 [13CH3]Oc1ccc2ccc(cc2c1)Br 34a_100009816537_200025704644 [0,1,0,0,0,0|1,0,0]=2 593 B14R2.134 [13CH3]Oc1ccc2ccc(cc2c1)Br 7a_100009816537_200025704644 [0,1,0,0,0,0|1,0,0]=2 594 B14R2.134 [13CH3]Oc1ccc2ccc(cc2c1)N 34a_100015378740_200025704644 [0,1,0,0,0,0|1,0,0]=2 595 B14R2.134 [13CH3]Oc1ccc2ccc(cc2c1)N 7a_100015378740_200025704644 [0,1,0,0,0,0|1,0,0]=2 596 B14R2.134 [13CH3]Oc1ccc2ccc(nc2c1)Cl 34a_100000079174_200025704644 [0,1,0,0,0,0|2,0,0]=3 597 B14R2.134 [13CH3]Oc1ccc2ccc(nc2c1)Cl 7a_100000079174_200025704644 [0,1,0,0,0,0|2,0,0]=3 598 B14R2.134 [13CH3]Oc1ccc2ncc(cc2c1)Br 34a_100010137430_200025704644 [0,1,0,0,0,0|0,0,0]=1 599 B14R2.134 [13CH3]Oc1ccc2ncc(cc2c1)Br 7a_100010137430_200025704644 [0,1,0,0,0,0|0,0,0]=1 600 B14R2.134 [13CH3]Oc1ccc2ncc(cc2c1)Cl 34a_100009869629_200025704644 [0,1,0,0,0,0|0,0,0]=1 601 B14R2.134 [13CH3]Oc1ccc2ncc(cc2c1)Cl 7a_100009869629_200025704644 [0,1,0,0,0,0|0,0,0]=1 602 B14R2.134 [13CH3]Oc1ccc2ncc(cc2c1)F 34a_100009845357_200025704644 [0,1,0,0,0,0|0,0,0]=1 603 B14R2.134 [13CH3]Oc1ccc2ncc(cc2c1)F 7a_100009845357_200025704644 [0,1,0,0,0,0|0,0,0]=1 604 B14R2.134 [13CH3]Oc1ccc2ncc(nc2c1)Cl 34a_200020640061_200025704644 [0,1,0,0,0,0|1,0,0]=2 605 B14R2.134 [13CH3]Oc1cnc2ccc(cc2c1)Br 34a_100000703654_200025704644 [0,1,0,0,0,0|2,0,0]=3 606 B14R2.134 [13CH3]Oc1cnc2ccc(cc2c1)Br 7a_100000703654_200025704644 [0,1,0,0,0,0|2,0,0]=3 607 B14R2.134 [13CH3]Sc1cc2cc(ccc2cn1)F 62a_100009828686_200025704644 [0,1,0,0,0,0|2,1,0]=4 608 B14R2.134 [13CH3]Sc1cc2cc(ccc2cn1)F 62a_200025704644_100009828686 [0,1,0,0,0,0|2,1,0]=4 609 B14R2.134 [13CH3]Sc1ccc2cc[n+](cc2c1)[O-] 62a_200025704644_100009816120 [0,1,0,0,0,0|2,1,0]=4 610 B14R2.134 [13CH3]Sc1ccc2ccc(=O)oc2c1 62a_200025704644_100009993525 [0,1,0,0,0,0|2,1,0]=4 611 B14R2.134 [13CH3]Sc1ccc2ccc(cc2c1)N 62a_100010090036_200025704644 [0,1,0,0,0,0|1,1,0]=3 612 B14R2.134 [13CH3]Sc1ccc2ccc(cc2c1)N 62a_200025704644_100010090036 [0,1,0,0,0,0|1,1,0]=3 613 B14R2.134 [13CH3]Sc1ccc2ccc(cc2c1)O 62a_200025704644_100009816537 [0,1,0,0,0,0|1,1,0]=3 614 B14R2.134 [13CH3]Sc1ccc2ccc(cc2n1)O 62a_200025704644_100000079174 [0,1,0,0,0,0|2,1,0]=4 615 B14R2.134 [13CH3]Sc1ccc2ccc(nc2c1)N 62a_100010187616_200025704644 [0,1,0,0,0,0|2,1,0]=4 616 B14R2.134 [13CH3]Sc1ccc2ccc(nc2c1)O 62a_200025704644_100000690401 [0,1,0,0,0,0|2,1,0]=4 617 B14R2.134 [13CH3]Sc1ccc2cnc(cc2c1)F 62a_100010291885_200025704644 [0,1,0,0,0,0|2,1,0]=4 618 B14R2.134 [13CH3]Sc1ccc2cnc(cc2c1)F 62a_200025704644_100010291885 [0,1,0,0,0,0|2,1,0]=4 619 B14R2.134 [13CH3]Sc1ccc2cnc(cc2c1)N 62a_100009817123_200025704644 [0,1,0,0,0,0|2,1,0]=4 620 B14R2.134 [13CH3]Sc1ccc2cnc(cc2c1)N 62a_200025704644_100009817123 [0,1,0,0,0,0|2,1,0]=4 621 B14R2.134 [13CH3]Sc1ccc2cnc(cc2c1)O 62a_200025704644_100009817130 [0,1,0,0,0,0|2,1,0]=4 622 B14R2.134 [13CH3]Sc1ccc2ncc(cc2c1)Br 62a_200010254249_200025704644 [0,1,0,0,0,0|0,1,0]=2 623 B14R2.134 [13CH3]Sc1ccc2ncc(cc2c1)Br 62a_200025704644_200010254249 [0,1,0,0,0,0|0,1,0]=2 624 B14R2.134 [13CH3]Sc1ccc2ncc(cc2c1)O 62a_200025704644_100000703654 [0,1,0,0,0,0|0,1,0]=2 625 B14R2.134 [13CH3]Sc1ccc2ncc(cc2n1)F 62a_100009889179_200025704644 [0,1,0,0,0,0|1,1,0]=3 626 B14R2.134 [13CH3]Sc1ccc2ncc(cc2n1)F 62a_200025704644_100009889179 [0,1,0,0,0,0|1,1,0]=3 627 B14R2.134 [13CH3]Sc1ccc2ncc(nc2c1)N 62a_100010090528_200025704644 [0,1,0,0,0,0|1,1,0]=3 628 B14R2.134 [13CH3]Sc1ccc2ncc(nc2c1)N 62a_200025704644_100010090528 [0,1,0,0,0,0|1,1,0]=3 629 B14R2.134 [13CH3]Sc1ccc2ncc(nc2c1)O 62a_200025704644_100010000190 [0,1,0,0,0,0|1,1,0]=3 630 B14R2.134 [13CH3]Sc1cnc2ccc(cc2c1)Br 62a_100010740133_200025704644 [0,1,0,0,0,0|2,1,0]=4 631 B14R2.134 [13CH3]Sc1cnc2ccc(cc2c1)Br 62a_200025704644_100010740133 [0,1,0,0,0,0|2,1,0]=4 632 B14R2.134 [13CH3]Sc1cnc2ccc(cc2c1)Cl 62a_100015929906_200025704644 [0,1,0,0,0,0|2,1,0]=4 633 B14R2.134 [13CH3]Sc1cnc2ccc(cc2c1)Cl 62a_200025704644_100015929906 [0,1,0,0,0,0|2,1,0]=4 634 B14R2.134 [13CH3]Sc1cnc2ccc(cc2c1)N 62a_100009888932_200025704644 [0,1,0,0,0,0|2,1,0]=4 635 B14R2.134 [13CH3]Sc1cnc2ccc(cc2c1)N 62a_200025704644_100009888932 [0,1,0,0,0,0|2,1,0]=4 636 B14R2.134 [13CH3]Sc1cnc2ccc(cc2c1)O 62a_200025704644_100010137430 [0,1,0,0,0,0|2,1,0]=4 637 B14R2.142 C=Cc1ccc2[nH]ccc(=O)c2c1 271570a_100011290941_100000746092 [0,1,0,0,0,0|1,0,2]=4 638 B14R2.142 C=Cc1ccc2cccc(c2c1)C 271570a_100011290941_100010089936 [0,1,0,0,0,0|2,0,1]=4 639 B14R2.142 C=Cc1ccc2cccc(c2c1)N 271570a_100011290941_100010090012 [0,1,0,0,0,0|2,0,1]=4 640 B14R2.142 C=Cc1ccc2cccc(c2c1)O 271570a_100011290941_100010089991 [0,1,0,0,0,0|2,0,1]=4 641 B14R2.142 C=Cc1ccc2nc[nH]c(=O)c2c1 271570a_100011290941_100000755678 [0,1,0,0,0,0|2,0,1]=4 642 B14R2.142 C=Cc1ccc2nccc(=O)n2c1 271570a_100011290941_100010178973 [0,1,0,0,0,0|2,0,1]=4 643 B14R2.142 C=Cc1ccc2nccc(c2c1)C 271570a_100011290941_100009817033 [0,1,0,0,0,0|1,0,1]=3 644 B14R2.142 C=Cc1ccc2nccc(c2c1)Cl 271570a_100011290941_100011310491 [0,1,0,0,0,0|1,0,1]=3 645 B14R2.142 C=Cc1ccc2nccc(c2c1)N 271570a_100011290941_100011620571 [0,1,0,0,0,0|1,0,1]=3 646 B14R2.142 C=Cc1ccc2ncnc(c2c1)C 271570a_100011290941_100000700471 [0,1,0,0,0,0|2,0,1]=4 647 B14R2.142 C=Cc1ccc2ncnc(c2c1)Cl 271570a_100011290941_100000757566 [0,1,0,0,0,0|2,0,1]=4 648 B14R2.142 C=Cc1ccc2ncnc(c2c1)N 271570a_100011290941_100011390335 [0,1,0,0,0,0|2,0,1]=4 649 B14R2.142 C=Cc1ccc2nncc(c2c1)O 271570a_100011290941_100010074700 [0,1,0,0,0,0|2,0,1]=4 650 B14R2.142 C=Cc1ccc2occc(=O)c2c1 271570a_100011290941_100009813387 [0,1,0,0,0,0|2,0,1]=4 651 B14R2.142 CNc1ccc2cccc(c2c1)O 34a_100132313934_200000210301 [0,1,0,0,0,0|2,0,0]=3 652 B14R2.142 CNc1ccc2cccc(c2n1)C 27a_100102657272_100012002297 [0,1,0,0,0,0|3,0,0]=4 653 B14R2.142 CNc1ccc2cccc(c2n1)O 27a_100102657272_100010153751 [0,1,0,0,0,0|3,0,0]=4 654 B14R2.142 CNc1ccc2nc[nH]c(=O)c2n1 27a_100102657272_100000117605 [0,1,0,0,0,0|3,0,0]=4 655 B14R2.142 CNc1ccc2nccc(=O)n2n1 27a_100102657272_100000086298 [0,1,0,0,0,0|3,0,0]=4 656 B14R2.142 CNc1ccc2nccc(c2c1)Br 34a_100010074812_200000210301 [0,1,0,0,0,0|1,0,0]=2 657 B14R2.142 CNc1ccc2nccc(c2c1)Cl 34a_100009879071_200000210301 [0,1,0,0,0,0|1,0,0]=2 658 B14R2.142 CNc1ccc2ncnc(c2c1)C 27a_100102657272_100000700471 [0,1,0,0,0,0|2,0,0]=3 659 B14R2.142 CNc1ccc2ncnc(c2n1)N 27a_100102657272_100011016601 [0,1,0,0,0,0|3,0,0]=4 660 B14R2.142 CNc1ccc2occc(=O)c2c1 34a_100000088200_200000210301 [0,1,0,0,0,0|2,0,0]=3 661 B14R2.142 CNc1cnc2nc[nH]c(=O)c2c1 27a_100102657272_100010182796 [0,1,0,0,0,0|3,0,0]=4 662 B14R2.142 COc1cc2c(cccc2cn1)O 271570a_203496583355_100010126886 [0,1,0,0,0,0|2,0,0]=3 663 B14R2.142 COc1ccc2c(c1)C(=O)CCC2 34a_100000723779_200000210301 [0,1,0,0,0,0|1,0,2]=4 664 B14R2.142 COc1ccc2c(c1)C(=O)CCC2 7a_100000723779_200000210301 [0,1,0,0,0,0|1,0,2]=4 665 B14R2.142 COc1ccc2c(c1)C(=O)CCO2 34a_100000078962_200000210301 [0,1,0,0,0,0|1,0,2]=4 666 B14R2.142 COc1ccc2c(c1)C(=O)CCO2 7a_100000078962_200000210301 [0,1,0,0,0,0|1,0,2]=4 667 B14R2.142 COc1ccc2c(c1)C(=O)NCC2 34a_100000081307_200000210301 [0,1,0,0,0,0|2,0,1]=4 668 B14R2.142 COc1ccc2c(c1)C(=O)NCC2 7a_100000081307_200000210301 [0,1,0,0,0,0|2,0,1]=4 669 B14R2.142 COc1ccc2cccc(c2c1)Br 34a_100010169565_200000210301 [0,1,0,0,0,0|1,0,0]=2 670 B14R2.142 COc1ccc2cccc(c2c1)Br 7a_100010169565_200000210301 [0,1,0,0,0,0|1,0,0]=2 671 B14R2.142 COc1ccc2cccc(c2c1)C 34a_200000091600_200000210301 [0,1,0,0,0,0|1,0,0]=2 672 B14R2.142 COc1ccc2cccc(c2c1)C 7a_200000091600_200000210301 [0,1,0,0,0,0|1,0,0]=2 673 B14R2.142 COc1ccc2cccc(c2c1)F 34a_100000091619_200000210301 [0,1,0,0,0,0|1,0,0]=2 674 B14R2.142 COc1ccc2cccc(c2c1)F 7a_100000091619_200000210301 [0,1,0,0,0,0|1,0,0]=2 675 B14R2.142 COc1ccc2cccc(c2c1)N 34a_100000034012_200000210301 [0,1,0,0,0,0|1,0,0]=2 676 B14R2.142 COc1ccc2cccc(c2c1)N 7a_100000034012_200000210301 [0,1,0,0,0,0|1,0,0]=2 677 B14R2.142 COc1ccc2cccc(c2c1)O 271570a_203496583355_100010178974 [0,1,0,0,0,0|1,0,0]=2 678 B14R2.142 COc1ccc2ccnc(c2c1)Cl 34a_200009844553_200000210301 [0,1,0,0,0,0|2,0,0]=3 679 B14R2.142 COc1ccc2ccnc(c2c1)Cl 7a_200009844553_200000210301 [0,1,0,0,0,0|2,0,0]=3 680 B14R2.142 COc1ccc2ccnc(c2c1)O 271570a_203496583355_100012348807 [0,1,0,0,0,0|2,0,0]=3 681 B14R2.142 COc1ccc2nc[nH]c(=O)c2c1 7a_100011934087_200000210301 [0,1,0,0,0,0|1,0,0]=2 682 B14R2.142 COc1ccc2nccc(c2c1)Br 34a_100010204251_200000210301 [0,1,0,0,0,0|0,0,0]=1 683 B14R2.142 COc1ccc2nccc(c2c1)Br 7a_100010204251_200000210301 [0,1,0,0,0,0|0,0,0]=1 684 B14R2.142 COc1ccc2nccc(c2c1)Cl 34a_100000075933_200000210301 [0,1,0,0,0,0|0,0,0]=1 685 B14R2.142 COc1ccc2nccc(c2c1)Cl 7a_100000075933_200000210301 [0,1,0,0,0,0|0,0,0]=1 686 B14R2.142 COc1ccc2nccc(c2c1)O 271570a_203496583355_100011310462 [0,1,0,0,0,0|0,0,0]=1 687 B14R2.142 COc1ccc2nccc(c2n1)O 271570a_203496583355_100000090520 [0,1,0,0,0,0|1,0,0]=2 688 B14R2.142 COc1ccc2ncnc(c2c1)O 271570a_203496583355_100011804145 [0,1,0,0,0,0|1,0,0]=2 689 B14R2.142 CSc1cc2c(=O)[nH]cnc2cn1 62a_200000210301_100000101234 [0,1,0,0,0,0|2,1,0]=4 690 B14R2.142 CSc1ccc2[nH]ccc(=O)c2c1 62a_200000210301_100000746092 [0,1,0,0,0,0|0,1,1]=3 691 B14R2.142 CSc1ccc2cccc(c2c1)C 62a_200000210301_100010089936 [0,1,0,0,0,0|1,1,0]=3 692 B14R2.142 CSc1ccc2cccc(c2c1)N 62a_100010090012_200000210301 [0,1,0,0,0,0|1,1,0]=3 693 B14R2.142 CSc1ccc2cccc(c2c1)N 62a_200000210301_100010090012 [0,1,0,0,0,0|1,1,0]=3 694 B14R2.142 CSc1ccc2cccc(c2c1)O 62a_200000210301_100010089991 [0,1,0,0,0,0|1,1,0]=3 695 B14R2.142 CSc1ccc2cccc(c2n1)C 62a_200000210301_100012002297 [0,1,0,0,0,0|2,1,0]=4 696 B14R2.142 CSc1ccc2cccc(c2n1)F 62a_200000210301_100012017632 [0,1,0,0,0,0|2,1,0]=4 697 B14R2.142 CSc1ccc2cccc(c2n1)O 62a_200000210301_100000013812 [0,1,0,0,0,0|2,1,0]=4 698 B14R2.142 CSc1ccc2ccnc(c2c1)C 62a_200000210301_200010739692 [0,1,0,0,0,0|2,1,0]=4 699 B14R2.142 CSc1ccc2ccnc(c2c1)C 62a_200010739692_200000210301 [0,1,0,0,0,0|2,1,0]=4 700 B14R2.142 CSc1ccc2ccnc(c2c1)N 62a_100012352255_200000210301 [0,1,0,0,0,0|2,1,0]=4 701 B14R2.142 CSc1ccc2ccnc(c2c1)N 62a_200000210301_100012352255 [0,1,0,0,0,0|2,1,0]=4 702 B14R2.142 CSc1ccc2ccnc(c2c1)O 62a_200000210301_100000010956 [0,1,0,0,0,0|2,1,0]=4 703 B14R2.142 CSc1ccc2cncc(c2c1)O 62a_200000210301_100010136424 [0,1,0,0,0,0|2,1,0]=4 704 B14R2.142 CSc1ccc2nc[nH]c(=O)c2c1 62a_200000210301_100000755678 [0,1,0,0,0,0|1,1,0]=3 705 B14R2.142 CSc1ccc2nc[nH]c(=O)c2n1 62a_200000210301_100000117605 [0,1,0,0,0,0|2,1,0]=4 706 B14R2.142 CSc1ccc2nccc(=O)n2c1 62a_100010178973_200000210301 [0,1,0,0,0,0|1,1,0]=3 707 B14R2.142 CSc1ccc2nccc(=O)n2c1 62a_200000210301_100010178973 [0,1,0,0,0,0|1,1,0]=3 708 B14R2.142 CSc1ccc2nccc(c2c1)C 62a_100009817033_200000210301 [0,1,0,0,0,0|0,1,0]=2 709 B14R2.142 CSc1ccc2nccc(c2c1)C 62a_200000210301_100009817033 [0,1,0,0,0,0|0,1,0]=2 710 B14R2.142 CSc1ccc2nccc(c2c1)Cl 62a_100011310491_200000210301 [0,1,0,0,0,0|0,1,0]=2 711 B14R2.142 CSc1ccc2nccc(c2c1)Cl 62a_200000210301_100011310491 [0,1,0,0,0,0|0,1,0]=2 712 B14R2.142 CSc1ccc2nccc(c2c1)N 62a_100011620571_200000210301 [0,1,0,0,0,0|0,1,0]=2 713 B14R2.142 CSc1ccc2nccc(c2c1)N 62a_200000210301_100011620571 [0,1,0,0,0,0|0,1,0]=2 714 B14R2.142 CSc1ccc2ncnc(c2c1)C 62a_100000700471_200000210301 [0,1,0,0,0,0|1,1,0]=3 715 B14R2.142 CSc1ccc2ncnc(c2c1)C 62a_200000210301_100000700471 [0,1,0,0,0,0|1,1,0]=3 716 B14R2.142 CSc1ccc2ncnc(c2c1)Cl 62a_200000210301_100000757566 [0,1,0,0,0,0|1,1,0]=3 717 B14R2.142 CSc1ccc2ncnc(c2c1)N 62a_100011390335_200000210301 [0,1,0,0,0,0|1,1,0]=3 718 B14R2.142 CSc1ccc2ncnc(c2c1)N 62a_200000210301_100011390335 [0,1,0,0,0,0|1,1,0]=3 719 B14R2.142 CSc1ccc2ncnc(c2n1)N 62a_100011016601_200000210301 [0,1,0,0,0,0|2,1,0]=4 720 B14R2.142 CSc1ccc2ncnc(c2n1)N 62a_200000210301_100011016601 [0,1,0,0,0,0|2,1,0]=4 721 B14R2.142 CSc1ccc2nncc(c2c1)O 62a_200000210301_100010074700 [0,1,0,0,0,0|1,1,0]=3 722 B14R2.142 CSc1ccc2occc(=O)c2c1 62a_200000210301_100009813387 [0,1,0,0,0,0|1,1,0]=3 723 B14R2.142 CSc1cnc2cccc(c2c1)N 62a_100010264086_200000210301 [0,1,0,0,0,0|2,1,0]=4 724 B14R2.142 CSc1cnc2cccc(c2c1)N 62a_200000210301_100010264086 [0,1,0,0,0,0|2,1,0]=4 725 B14R2.142 CSc1cnc2cccc(c2c1)O 62a_200000210301_200010153752 [0,1,0,0,0,0|2,1,0]=4 726 B14R2.142 CSc1cnc2nc[nH]c(=O)c2c1 62a_100010182796_200000210301 [0,1,0,0,0,0|2,1,0]=4 727 B14R2.142 CSc1cnc2nc[nH]c(=O)c2c1 62a_200000210301_100010182796 [0,1,0,0,0,0|2,1,0]=4 728 B14R2.142 Cc1cccc2c1cc(cc2)O[13CH3] 34a_200000091600_200025704644 [0,1,0,0,0,0|1,0,0]=2 729 B14R2.142 Cc1cccc2c1cc(cc2)O[13CH3] 7a_200000091600_200025704644 [0,1,0,0,0,0|1,0,0]=2 730 B14R2.142 Cc1cccc2c1cc(cc2)S[13CH3] 62a_200025704644_100010089936 [0,1,0,0,0,0|1,1,0]=3 731 B14R2.142 Cc1cccc2c1nc(cc2)S[13CH3] 62a_200025704644_100012002297 [0,1,0,0,0,0|2,1,0]=4 732 B14R2.142 Cc1ccnc2c1cc(cc2)S[13CH3] 62a_100009817033_200025704644 [0,1,0,0,0,0|0,1,0]=2 733 B14R2.142 Cc1ccnc2c1cc(cc2)S[13CH3] 62a_200025704644_100009817033 [0,1,0,0,0,0|0,1,0]=2 734 B14R2.142 Cc1nccc2c1cc(cc2)S[13CH3] 62a_200010739692_200025704644 [0,1,0,0,0,0|2,1,0]=4 735 B14R2.142 Cc1nccc2c1cc(cc2)S[13CH3] 62a_200025704644_200010739692 [0,1,0,0,0,0|2,1,0]=4 736 B14R2.142 Cc1ncnc2c1cc(cc2)S[13CH3] 62a_100000700471_200025704644 [0,1,0,0,0,0|1,1,0]=3 737 B14R2.142 Cc1ncnc2c1cc(cc2)S[13CH3] 62a_200025704644_100000700471 [0,1,0,0,0,0|1,1,0]=3 738 B14R2.142 N#Cc1ccc2nccc(c2c1)O 271570a_203496583355_100010204249 [0,1,0,0,0,0|2,0,0]=3 739 B14R2.142 [13CH3]Nc1ccc2cccc(c2c1)O 34a_100132313934_200025704644 [0,1,0,0,0,0|2,0,0]=3 740 B14R2.142 [13CH3]Nc1ccc2nccc(c2c1)Br 34a_100010074812_200025704644 [0,1,0,0,0,0|1,0,0]=2 741 B14R2.142 [13CH3]Nc1ccc2nccc(c2c1)Cl 34a_100009879071_200025704644 [0,1,0,0,0,0|1,0,0]=2 742 B14R2.142 [13CH3]Nc1ccc2occc(=O)c2c1 34a_100000088200_200025704644 [0,1,0,0,0,0|2,0,0]=3 743 B14R2.142 [13CH3]Oc1ccc2c(c1)C(=O)CCC2 34a_100000723779_200025704644 [0,1,0,0,0,0|1,0,2]=4 744 B14R2.142 [13CH3]Oc1ccc2c(c1)C(=O)CCC2 7a_100000723779_200025704644 [0,1,0,0,0,0|1,0,2]=4 745 B14R2.142 [13CH3]Oc1ccc2c(c1)C(=O)CCO2 34a_100000078962_200025704644 [0,1,0,0,0,0|1,0,2]=4 746 B14R2.142 [13CH3]Oc1ccc2c(c1)C(=O)CCO2 7a_100000078962_200025704644 [0,1,0,0,0,0|1,0,2]=4 747 B14R2.142 [13CH3]Oc1ccc2c(c1)C(=O)NCC2 34a_100000081307_200025704644 [0,1,0,0,0,0|2,0,1]=4 748 B14R2.142 [13CH3]Oc1ccc2c(c1)C(=O)NCC2 7a_100000081307_200025704644 [0,1,0,0,0,0|2,0,1]=4 749 B14R2.142 [13CH3]Oc1ccc2cccc(c2c1)Br 34a_100010169565_200025704644 [0,1,0,0,0,0|1,0,0]=2 750 B14R2.142 [13CH3]Oc1ccc2cccc(c2c1)Br 7a_100010169565_200025704644 [0,1,0,0,0,0|1,0,0]=2 751 B14R2.142 [13CH3]Oc1ccc2cccc(c2c1)F 34a_100000091619_200025704644 [0,1,0,0,0,0|1,0,0]=2 752 B14R2.142 [13CH3]Oc1ccc2cccc(c2c1)F 7a_100000091619_200025704644 [0,1,0,0,0,0|1,0,0]=2 753 B14R2.142 [13CH3]Oc1ccc2cccc(c2c1)N 34a_100000034012_200025704644 [0,1,0,0,0,0|1,0,0]=2 754 B14R2.142 [13CH3]Oc1ccc2cccc(c2c1)N 7a_100000034012_200025704644 [0,1,0,0,0,0|1,0,0]=2 755 B14R2.142 [13CH3]Oc1ccc2ccnc(c2c1)Cl 34a_200009844553_200025704644 [0,1,0,0,0,0|2,0,0]=3 756 B14R2.142 [13CH3]Oc1ccc2ccnc(c2c1)Cl 7a_200009844553_200025704644 [0,1,0,0,0,0|2,0,0]=3 757 B14R2.142 [13CH3]Oc1ccc2nc[nH]c(=O)c2c1 7a_100011934087_200025704644 [0,1,0,0,0,0|1,0,0]=2 758 B14R2.142 [13CH3]Oc1ccc2nccc(c2c1)Br 34a_100010204251_200025704644 [0,1,0,0,0,0|0,0,0]=1 759 B14R2.142 [13CH3]Oc1ccc2nccc(c2c1)Br 7a_100010204251_200025704644 [0,1,0,0,0,0|0,0,0]=1 760 B14R2.142 [13CH3]Oc1ccc2nccc(c2c1)Cl 34a_100000075933_200025704644 [0,1,0,0,0,0|0,0,0]=1 761 B14R2.142 [13CH3]Oc1ccc2nccc(c2c1)Cl 7a_100000075933_200025704644 [0,1,0,0,0,0|0,0,0]=1 762 B14R2.142 [13CH3]Sc1cc2c(=O)[nH]cnc2cn1 62a_200025704644_100000101234 [0,1,0,0,0,0|2,1,0]=4 763 B14R2.142 [13CH3]Sc1ccc2[nH]ccc(=O)c2c1 62a_200025704644_100000746092 [0,1,0,0,0,0|0,1,1]=3 764 B14R2.142 [13CH3]Sc1ccc2cccc(c2c1)N 62a_100010090012_200025704644 [0,1,0,0,0,0|1,1,0]=3 765 B14R2.142 [13CH3]Sc1ccc2cccc(c2c1)N 62a_200025704644_100010090012 [0,1,0,0,0,0|1,1,0]=3 766 B14R2.142 [13CH3]Sc1ccc2cccc(c2c1)O 62a_200025704644_100010089991 [0,1,0,0,0,0|1,1,0]=3 767 B14R2.142 [13CH3]Sc1ccc2cccc(c2n1)F 62a_200025704644_100012017632 [0,1,0,0,0,0|2,1,0]=4 768 B14R2.142 [13CH3]Sc1ccc2cccc(c2n1)O 62a_200025704644_100000013812 [0,1,0,0,0,0|2,1,0]=4 769 B14R2.142 [13CH3]Sc1ccc2ccnc(c2c1)N 62a_100012352255_200025704644 [0,1,0,0,0,0|2,1,0]=4 770 B14R2.142 [13CH3]Sc1ccc2ccnc(c2c1)N 62a_200025704644_100012352255 [0,1,0,0,0,0|2,1,0]=4 771 B14R2.142 [13CH3]Sc1ccc2ccnc(c2c1)O 62a_200025704644_100000010956 [0,1,0,0,0,0|2,1,0]=4 772 B14R2.142 [13CH3]Sc1ccc2cncc(c2c1)O 62a_200025704644_100010136424 [0,1,0,0,0,0|2,1,0]=4 773 B14R2.142 [13CH3]Sc1ccc2nc[nH]c(=O)c2c1 62a_200025704644_100000755678 [0,1,0,0,0,0|1,1,0]=3 774 B14R2.142 [13CH3]Sc1ccc2nc[nH]c(=O)c2n1 62a_200025704644_100000117605 [0,1,0,0,0,0|2,1,0]=4 775 B14R2.142 [13CH3]Sc1ccc2nccc(=O)n2c1 62a_100010178973_200025704644 [0,1,0,0,0,0|1,1,0]=3 776 B14R2.142 [13CH3]Sc1ccc2nccc(=O)n2c1 62a_200025704644_100010178973 [0,1,0,0,0,0|1,1,0]=3 777 B14R2.142 [13CH3]Sc1ccc2nccc(c2c1)Cl 62a_100011310491_200025704644 [0,1,0,0,0,0|0,1,0]=2 778 B14R2.142 [13CH3]Sc1ccc2nccc(c2c1)Cl 62a_200025704644_100011310491 [0,1,0,0,0,0|0,1,0]=2 779 B14R2.142 [13CH3]Sc1ccc2nccc(c2c1)N 62a_100011620571_200025704644 [0,1,0,0,0,0|0,1,0]=2 780 B14R2.142 [13CH3]Sc1ccc2nccc(c2c1)N 62a_200025704644_100011620571 [0,1,0,0,0,0|0,1,0]=2 781 B14R2.142 [13CH3]Sc1ccc2ncnc(c2c1)Cl 62a_200025704644_100000757566 [0,1,0,0,0,0|1,1,0]=3 782 B14R2.142 [13CH3]Sc1ccc2ncnc(c2c1)N 62a_100011390335_200025704644 [0,1,0,0,0,0|1,1,0]=3 783 B14R2.142 [13CH3]Sc1ccc2ncnc(c2c1)N 62a_200025704644_100011390335 [0,1,0,0,0,0|1,1,0]=3 784 B14R2.142 [13CH3]Sc1ccc2ncnc(c2n1)N 62a_100011016601_200025704644 [0,1,0,0,0,0|2,1,0]=4 785 B14R2.142 [13CH3]Sc1ccc2ncnc(c2n1)N 62a_200025704644_100011016601 [0,1,0,0,0,0|2,1,0]=4 786 B14R2.142 [13CH3]Sc1ccc2nncc(c2c1)O 62a_200025704644_100010074700 [0,1,0,0,0,0|1,1,0]=3 787 B14R2.142 [13CH3]Sc1ccc2occc(=O)c2c1 62a_200025704644_100009813387 [0,1,0,0,0,0|1,1,0]=3 788 B14R2.142 [13CH3]Sc1cnc2cccc(c2c1)N 62a_100010264086_200025704644 [0,1,0,0,0,0|2,1,0]=4 789 B14R2.142 [13CH3]Sc1cnc2cccc(c2c1)N 62a_200025704644_100010264086 [0,1,0,0,0,0|2,1,0]=4 790 B14R2.142 [13CH3]Sc1cnc2cccc(c2c1)O 62a_200025704644_200010153752 [0,1,0,0,0,0|2,1,0]=4 791 B14R2.142 [13CH3]Sc1cnc2nc[nH]c(=O)c2c1 62a_100010182796_200025704644 [0,1,0,0,0,0|2,1,0]=4 792 B14R2.142 [13CH3]Sc1cnc2nc[nH]c(=O)c2c1 62a_200025704644_100010182796 [0,1,0,0,0,0|2,1,0]=4 793 B14R2.781 C=C(C)c1cc2ccccc2cn1 271570a_100000694244_100000047361 [0,1,0,0,0,0|3,0,0]=4 794 B14R2.781 C=C(C)c1cc2nccnc2cn1 271570a_100000694244_100010370699 [0,1,0,0,0,0|3,0,0]=4 795 B14R2.781 C=C(C)c1ccc2ccccc2c1 271570a_100000694244_100000233703 [0,1,0,0,0,0|2,0,0]=3 796 B14R2.781 C=C(C)c1ccc2ccccc2n1 271570a_100000694244_100011291633 [0,1,0,0,0,0|3,0,0]=4 797 B14R2.781 C=C(C)c1ccc2cccnc2c1 271570a_100000694244_100009816655 [0,1,0,0,0,0|3,0,0]=4 798 B14R2.781 C=C(C)c1ccc2ccncc2c1 271570a_100000694244_100000686496 [0,1,0,0,0,0|3,0,0]=4 799 B14R2.781 C=C(C)c1ccc2cnccc2c1 271570a_100000694244_100009816743 [0,1,0,0,0,0|3,0,0]=4 800 B14R2.781 C=C(C)c1ccc2ncccc2c1 271570a_100000694244_100000754243 [0,1,0,0,0,0|1,0,0]=2 801 B14R2.781 C=C(C)c1ccc2ncccc2n1 271570a_100000694244_100000073381 [0,1,0,0,0,0|2,0,0]=3 802 B14R2.781 C=C(C)c1ccc2nccnc2c1 271570a_100000694244_100011219451 [0,1,0,0,0,0|2,0,0]=3 803 B14R2.781 C=C(C)c1ccc2nccnc2n1 271570a_100000694244_100012351543 [0,1,0,0,0,0|3,0,0]=4 804 B14R2.781 C=C(C)c1ccc2ncncc2c1 271570a_100000694244_100009989443 [0,1,0,0,0,0|2,0,0]=3 805 B14R2.781 C=C(C)c1ccc2nnccc2c1 271570a_100000694244_100010209549 [0,1,0,0,0,0|2,0,0]=3 806 B14R2.781 C=C(C)c1cnc2ccccc2c1 271570a_100000694244_100000737414 [0,1,0,0,0,0|3,0,0]=4 807 B14R2.781 C=C(C)c1cnc2ncccc2n1 271570a_100000694244_100000084304 [0,1,0,0,0,0|3,0,0]=4 808 B14R2.781 C=C(C)c1cnc2nccnc2c1 271570a_100000694244_100000753224 [0,1,0,0,0,0|3,0,0]=4 809 B14R2.781 CC(=O)c1ccc2ccccc2c1 1458a_100000210637_200000210301 [0,1,0,0,0,0|2,0,0]=3 810 B14R2.781 CC(=O)c1ccc2cccnc2c1 1458a_100011933907_200000210301 [0,1,0,0,0,0|3,0,0]=4 811 B14R2.781 CC(=O)c1ccc2ccncc2c1 1458a_100000070124_200000210301 [0,1,0,0,0,0|3,0,0]=4 812 B14R2.781 CC(=O)c1ccc2cnccc2c1 1458a_100011935275_200000210301 [0,1,0,0,0,0|3,0,0]=4 813 B14R2.781 CC(=O)c1ccc2ncccc2c1 1458a_100011216044_200000210301 [0,1,0,0,0,0|1,0,0]=2 814 B14R2.781 CC(=O)c1ccc2nccnc2c1 1458a_100000184533_200000210301 [0,1,0,0,0,0|2,0,0]=3 815 B14R2.781 CN(C)c1cc2nccnc2cn1 27a_100102631434_100000070204 [0,1,0,0,0,0|3,0,0]=4 816 B14R2.781 CN(C)c1ccc2ccccc2c1 2230a_100000181211_200000210301 [0,1,0,0,0,0|2,0,0]=3 817 B14R2.781 CN(C)c1ccc2ccccc2c1 269982a_100000181211_200000210301 [0,1,0,0,0,0|2,0,0]=3 818 B14R2.781 CN(C)c1ccc2ccccc2c1 34a_100000181211_200000210301 [0,1,0,0,0,0|2,0,0]=3 819 B14R2.781 CN(C)c1ccc2ccccc2n1 27a_100102631434_100011291633 [0,1,0,0,0,0|3,0,0]=4 820 B14R2.781 CN(C)c1ccc2ncccc2n1 27a_100102631434_100000073381 [0,1,0,0,0,0|2,0,0]=3 821 B14R2.781 CN(C)c1ccc2nccnc2c1 27a_100102631434_100011219451 [0,1,0,0,0,0|2,0,0]=3 822 B14R2.781 CN(C)c1ccc2nccnc2n1 27a_100102631434_100012351543 [0,1,0,0,0,0|3,0,0]=4 823 B14R2.781 CN(C)c1cnc2ncccc2n1 27a_100102631434_100000084304 [0,1,0,0,0,0|3,0,0]=4 824 B14R2.781 CN(C)c1cnc2nccnc2c1 27a_100102631434_100000753224 [0,1,0,0,0,0|3,0,0]=4 825 B14R2.781 CN([13CH3])c1ccc2ccccc2c1 2230a_100000181211_200025704644 [0,1,0,0,0,0|2,0,0]=3 826 B14R2.781 CN([13CH3])c1ccc2ccccc2c1 269982a_100000181211_200025704644 [0,1,0,0,0,0|2,0,0]=3 827 B14R2.781 CN([13CH3])c1ccc2ccccc2c1 34a_100000181211_200025704644 [0,1,0,0,0,0|2,0,0]=3 828 B14R2.781 [13CH3]C(=O)c1ccc2ccccc2c1 1458a_100000210637_200025704644 [0,1,0,0,0,0|2,0,0]=3 829 B14R2.781 [13CH3]C(=O)c1ccc2cccnc2c1 1458a_100011933907_200025704644 [0,1,0,0,0,0|3,0,0]=4 830 B14R2.781 [13CH3]C(=O)c1ccc2ccncc2c1 1458a_100000070124_200025704644 [0,1,0,0,0,0|3,0,0]=4 831 B14R2.781 [13CH3]C(=O)c1ccc2cnccc2c1 1458a_100011935275_200025704644 [0,1,0,0,0,0|3,0,0]=4 832 B14R2.781 [13CH3]C(=O)c1ccc2ncccc2c1 1458a_100011216044_200025704644 [0,1,0,0,0,0|1,0,0]=2 833 B14R2.781 [13CH3]C(=O)c1ccc2nccnc2c1 1458a_100000184533_200025704644 [0,1,0,0,0,0|2,0,0]=3 834 B14R2.1019 C=Cc1cc(c2ccccc2c1)N 271570a_100011290941_100010171453 [0,1,0,0,0,0|2,0,1]=4 835 B14R2.1019 C=Cc1cc(c2ccccc2c1)O 271570a_100011290941_100010089979 [0,1,0,0,0,0|2,0,1]=4 836 B14R2.1019 C=Cc1cc(c2ncccc2c1)C 271570a_100011290941_100010130319 [0,1,0,0,0,0|1,0,1]=3 837 B14R2.1019 C=Cc1cc(c2ncccc2c1)Cl 271570a_100011290941_200010369337 [0,1,0,0,0,0|1,0,1]=3 838 B14R2.1019 C=Cc1cc(c2ncccc2c1)F 271570a_100011290941_100010234705 [0,1,0,0,0,0|1,0,1]=3 839 B14R2.1019 C=Cc1cc(c2ncccc2c1)N 271570a_100011290941_100009814519 [0,1,0,0,0,0|1,0,1]=3 840 B14R2.1019 C=Cc1cc(c2ncccc2c1)O 271570a_100011290941_100010248853 [0,1,0,0,0,0|1,0,1]=3 841 B14R2.1019 C=Cc1cc(c2nccnc2c1)C 271570a_100011290941_100010080486 [0,1,0,0,0,0|2,0,1]=4 842 B14R2.1019 C=Cc1cc(c2nccnc2c1)F 271570a_100011290941_100010079260 [0,1,0,0,0,0|2,0,1]=4 843 B14R2.1019 CNc1cc(c2ccccc2c1)Br 34a_100010089974_200000210301 [0,1,0,0,0,0|2,0,0]=3 844 B14R2.1019 CNc1cc(c2ccccc2c1)Br 7a_100010089974_200000210301 [0,1,0,0,0,0|2,0,0]=3 845 B14R2.1019 CNc1cc(c2ccccc2n1)C 27a_100102657272_100000184993 [0,1,0,0,0,0|3,0,0]=4 846 B14R2.1019 CNc1cc(c2cnccc2c1)F 27a_100102657272_100011068762 [0,1,0,0,0,0|3,0,0]=4 847 B14R2.1019 CNc1cc(c2ncccc2c1)Cl 34a_200009830422_200000210301 [0,1,0,0,0,0|1,0,0]=2 848 B14R2.1019 CNc1cc(c2nccnc2c1)C 27a_100102657272_100010080486 [0,1,0,0,0,0|2,0,0]=3 849 B14R2.1019 CNc1cc(c2nccnc2c1)F 27a_100102657272_100010079260 [0,1,0,0,0,0|2,0,0]=3 850 B14R2.1019 COc1cc(=O)n2ccccc2n1 34a_100000751361_200000210301 [0,1,0,0,0,0|3,0,0]=4 851 B14R2.1019 COc1cc(c2ccccc2c1)Br 34a_100010001680_200000210301 [0,1,0,0,0,0|1,0,0]=2 852 B14R2.1019 COc1cc(c2ccccc2c1)Br 7a_100010001680_200000210301 [0,1,0,0,0,0|1,0,0]=2 853 B14R2.1019 COc1cc(c2ccccc2c1)O 271570a_203496583355_100010152498 [0,1,0,0,0,0|1,0,0]=2 854 B14R2.1019 COc1cc(c2ccccc2n1)O 271570a_203496583355_100009887561 [0,1,0,0,0,0|2,0,0]=3 855 B14R2.1019 COc1cc(c2cccnc2c1)O 271570a_203496583355_100010248855 [0,1,0,0,0,0|2,0,0]=3 856 B14R2.1019 COc1cc(c2cnccc2c1)Br 34a_100011009069_200000210301 [0,1,0,0,0,0|2,0,0]=3 857 B14R2.1019 COc1cc(c2cnccc2c1)Br 7a_100011009069_200000210301 [0,1,0,0,0,0|2,0,0]=3 858 B14R2.1019 COc1cc(c2ncccc2c1)Cl 34a_100000097192_200000210301 [0,1,0,0,0,0|0,0,0]=1 859 B14R2.1019 COc1cc(c2ncccc2c1)Cl 7a_100000097192_200000210301 [0,1,0,0,0,0|0,0,0]=1 860 B14R2.1019 COc1cc(c2ncccc2c1)F 34a_100009888031_200000210301 [0,1,0,0,0,0|0,0,0]=1 861 B14R2.1019 COc1cc(c2ncccc2c1)F 7a_100009888031_200000210301 [0,1,0,0,0,0|0,0,0]=1 862 B14R2.1019 COc1cc(c2ncccc2c1)N 34a_100000083691_200000210301 [0,1,0,0,0,0|0,0,0]=1 863 B14R2.1019 COc1cc(c2ncccc2c1)O 271570a_203496583355_200010235761 [0,1,0,0,0,0|0,0,0]=1 864 B14R2.1019 CSc1cc(=O)c2ccccc2[nH]1 62a_200000210301_100000090176 [0,1,0,0,0,0|2,1,0]=4 865 B14R2.1019 CSc1cc(c2ccccc2c1)N 62a_100010171453_200000210301 [0,1,0,0,0,0|1,1,0]=3 866 B14R2.1019 CSc1cc(c2ccccc2c1)N 62a_200000210301_100010171453 [0,1,0,0,0,0|1,1,0]=3 867 B14R2.1019 CSc1cc(c2ccccc2c1)O 62a_200000210301_100010089979 [0,1,0,0,0,0|1,1,0]=3 868 B14R2.1019 CSc1cc(c2ccccc2n1)C 62a_100012354972_200000210301 [0,1,0,0,0,0|2,1,0]=4 869 B14R2.1019 CSc1cc(c2ccccc2n1)C 62a_200000210301_100000184993 [0,1,0,0,0,0|2,1,0]=4 870 B14R2.1019 CSc1cc(c2ccccc2n1)N 62a_100010197925_200000210301 [0,1,0,0,0,0|2,1,0]=4 871 B14R2.1019 CSc1cc(c2cccnc2c1)N 62a_200000210301_200010263263 [0,1,0,0,0,0|2,1,0]=4 872 B14R2.1019 CSc1cc(c2cccnc2c1)N 62a_200010263263_200000210301 [0,1,0,0,0,0|2,1,0]=4 873 B14R2.1019 CSc1cc(c2cnccc2c1)F 62a_100011068762_200000210301 [0,1,0,0,0,0|2,1,0]=4 874 B14R2.1019 CSc1cc(c2cnccc2c1)F 62a_200000210301_100011068762 [0,1,0,0,0,0|2,1,0]=4 875 B14R2.1019 CSc1cc(c2ncccc2c1)C 62a_200000210301_100010130319 [0,1,0,0,0,0|0,1,0]=2 876 B14R2.1019 CSc1cc(c2ncccc2c1)Cl 62a_200000210301_200010369337 [0,1,0,0,0,0|0,1,0]=2 877 B14R2.1019 CSc1cc(c2ncccc2c1)F 62a_100010234705_200000210301 [0,1,0,0,0,0|0,1,0]=2 878 B14R2.1019 CSc1cc(c2ncccc2c1)F 62a_200000210301_100010234705 [0,1,0,0,0,0|0,1,0]=2 879 B14R2.1019 CSc1cc(c2ncccc2c1)N 62a_200000210301_100009814519 [0,1,0,0,0,0|0,1,0]=2 880 B14R2.1019 CSc1cc(c2ncccc2c1)O 62a_200000210301_100010248853 [0,1,0,0,0,0|0,1,0]=2 881 B14R2.1019 CSc1cc(c2nccnc2c1)C 62a_200000210301_100010080486 [0,1,0,0,0,0|1,1,0]=3 882 B14R2.1019 CSc1cc(c2nccnc2c1)F 62a_100010079260_200000210301 [0,1,0,0,0,0|1,1,0]=3 883 B14R2.1019 CSc1cc(c2nccnc2c1)F 62a_200000210301_100010079260 [0,1,0,0,0,0|1,1,0]=3 884 B14R2.1019 CSc1cc2ccccc2c(=O)[nH]1 62a_200000210301_200015811170 [0,1,0,0,0,0|2,1,0]=4 885 B14R2.1019 CSc1cc2ccccc2c(n1)N 62a_100009957331_200000210301 [0,1,0,0,0,0|2,1,0]=4 886 B14R2.1019 CSc1cc2ccccc2c(n1)N 62a_200000210301_100009957331 [0,1,0,0,0,0|2,1,0]=4 887 B14R2.1019 Cc1cc(cc2c1nccc2)S[13CH3] 62a_200025704644_100010130319 [0,1,0,0,0,0|0,1,0]=2 888 B14R2.1019 Cc1cc(cc2c1nccn2)S[13CH3] 62a_200025704644_100010080486 [0,1,0,0,0,0|1,1,0]=3 889 B14R2.1019 Cc1cc(nc2c1cccc2)S[13CH3] 62a_100012354972_200025704644 [0,1,0,0,0,0|2,1,0]=4 890 B14R2.1019 Cc1cc(nc2c1cccc2)S[13CH3] 62a_200025704644_100000184993 [0,1,0,0,0,0|2,1,0]=4 891 B14R2.1019 [13CH3]Nc1cc(c2ccccc2c1)Br 34a_100010089974_200025704644 [0,1,0,0,0,0|2,0,0]=3 892 B14R2.1019 [13CH3]Nc1cc(c2ccccc2c1)Br 7a_100010089974_200025704644 [0,1,0,0,0,0|2,0,0]=3 893 B14R2.1019 [13CH3]Nc1cc(c2ncccc2c1)Cl 34a_200009830422_200025704644 [0,1,0,0,0,0|1,0,0]=2 894 B14R2.1019 [13CH3]Oc1cc(=O)n2ccccc2n1 34a_100000751361_200025704644 [0,1,0,0,0,0|3,0,0]=4 895 B14R2.1019 [13CH3]Oc1cc(c2ccccc2c1)Br 34a_100010001680_200025704644 [0,1,0,0,0,0|1,0,0]=2 896 B14R2.1019 [13CH3]Oc1cc(c2ccccc2c1)Br 7a_100010001680_200025704644 [0,1,0,0,0,0|1,0,0]=2 897 B14R2.1019 [13CH3]Oc1cc(c2cnccc2c1)Br 34a_100011009069_200025704644 [0,1,0,0,0,0|2,0,0]=3 898 B14R2.1019 [13CH3]Oc1cc(c2cnccc2c1)Br 7a_100011009069_200025704644 [0,1,0,0,0,0|2,0,0]=3 899 B14R2.1019 [13CH3]Oc1cc(c2ncccc2c1)Cl 34a_100000097192_200025704644 [0,1,0,0,0,0|0,0,0]=1 900 B14R2.1019 [13CH3]Oc1cc(c2ncccc2c1)Cl 7a_100000097192_200025704644 [0,1,0,0,0,0|0,0,0]=1 901 B14R2.1019 [13CH3]Oc1cc(c2ncccc2c1)F 34a_100009888031_200025704644 [0,1,0,0,0,0|0,0,0]=1 902 B14R2.1019 [13CH3]Oc1cc(c2ncccc2c1)F 7a_100009888031_200025704644 [0,1,0,0,0,0|0,0,0]=1 903 B14R2.1019 [13CH3]Oc1cc(c2ncccc2c1)N 34a_100000083691_200025704644 [0,1,0,0,0,0|0,0,0]=1 904 B14R2.1019 [13CH3]Sc1cc(=O)c2ccccc2[nH]1 62a_200025704644_100000090176 [0,1,0,0,0,0|2,1,0]=4 905 B14R2.1019 [13CH3]Sc1cc(c2ccccc2c1)N 62a_100010171453_200025704644 [0,1,0,0,0,0|1,1,0]=3 906 B14R2.1019 [13CH3]Sc1cc(c2ccccc2c1)N 62a_200025704644_100010171453 [0,1,0,0,0,0|1,1,0]=3 907 B14R2.1019 [13CH3]Sc1cc(c2ccccc2c1)O 62a_200025704644_100010089979 [0,1,0,0,0,0|1,1,0]=3 908 B14R2.1019 [13CH3]Sc1cc(c2ccccc2n1)N 62a_100010197925_200025704644 [0,1,0,0,0,0|2,1,0]=4 909 B14R2.1019 [13CH3]Sc1cc(c2cccnc2c1)N 62a_200010263263_200025704644 [0,1,0,0,0,0|2,1,0]=4 910 B14R2.1019 [13CH3]Sc1cc(c2cccnc2c1)N 62a_200025704644_200010263263 [0,1,0,0,0,0|2,1,0]=4 911 B14R2.1019 [13CH3]Sc1cc(c2cnccc2c1)F 62a_100011068762_200025704644 [0,1,0,0,0,0|2,1,0]=4 912 B14R2.1019 [13CH3]Sc1cc(c2cnccc2c1)F 62a_200025704644_100011068762 [0,1,0,0,0,0|2,1,0]=4 913 B14R2.1019 [13CH3]Sc1cc(c2ncccc2c1)Cl 62a_200025704644_200010369337 [0,1,0,0,0,0|0,1,0]=2 914 B14R2.1019 [13CH3]Sc1cc(c2ncccc2c1)F 62a_100010234705_200025704644 [0,1,0,0,0,0|0,1,0]=2 915 B14R2.1019 [13CH3]Sc1cc(c2ncccc2c1)F 62a_200025704644_100010234705 [0,1,0,0,0,0|0,1,0]=2 916 B14R2.1019 [13CH3]Sc1cc(c2ncccc2c1)N 62a_200025704644_100009814519 [0,1,0,0,0,0|0,1,0]=2 917 B14R2.1019 [13CH3]Sc1cc(c2ncccc2c1)O 62a_200025704644_100010248853 [0,1,0,0,0,0|0,1,0]=2 918 B14R2.1019 [13CH3]Sc1cc(c2nccnc2c1)F 62a_100010079260_200025704644 [0,1,0,0,0,0|1,1,0]=3 919 B14R2.1019 [13CH3]Sc1cc(c2nccnc2c1)F 62a_200025704644_100010079260 [0,1,0,0,0,0|1,1,0]=3 920 B14R2.1019 [13CH3]Sc1cc2ccccc2c(=O)[nH]1 62a_200025704644_200015811170 [0,1,0,0,0,0|2,1,0]=4 921 B14R2.1019 [13CH3]Sc1cc2ccccc2c(n1)N 62a_100009957331_200025704644 [0,1,0,0,0,0|2,1,0]=4 922 B14R2.1019 [13CH3]Sc1cc2ccccc2c(n1)N 62a_200025704644_100009957331 [0,1,0,0,0,0|2,1,0]=4 923 B14R2.1128 C=Cc1cc2ccccc2cc1Br 271570a_100011290941_200010169544 [0,1,0,0,0,0|2,0,1]=4 924 B14R2.1128 C=Cc1cc2ccccc2cc1Cl 271570a_100011290941_100010152806 [0,1,0,0,0,0|2,0,1]=4 925 B14R2.1128 C=Cc1cc2ccccc2cc1N 271570a_100011290941_100009991566 [0,1,0,0,0,0|2,0,1]=4 926 B14R2.1128 C=Cc1cc2ccccc2cc1O 271570a_100011290941_100009817189 [0,1,0,0,0,0|2,0,1]=4 927 B14R2.1128 C=Cc1cc2cccnc2cc1C 271570a_100011290941_100010137429 [0,1,0,0,0,0|1,0,1]=3 928 B14R2.1128 C=Cc1cc2cccnc2cc1F 271570a_100011290941_100009854028 [0,1,0,0,0,0|1,0,1]=3 929 B14R2.1128 C=Cc1cc2nccnc2cc1C 271570a_100011290941_100010080479 [0,1,0,0,0,0|2,0,1]=4 930 B14R2.1128 C=Cc1cc2nccnc2cc1F 271570a_100011290941_100010080477 [0,1,0,0,0,0|2,0,1]=4 931 B14R2.1128 CCc1cc2ccccc2nc1O 271570a_203496583355_100011829826 [0,1,0,0,0,0|3,0,0]=4 932 B14R2.1128 CNc1cc2ccccc2cc1Br 34a_100009991566_200000210301 [0,1,0,0,0,0|2,0,0]=3 933 B14R2.1128 CNc1cc2ccccc2cc1Br 7a_100009991566_200000210301 [0,1,0,0,0,0|2,0,0]=3 934 B14R2.1128 CNc1cc2nccnc2cc1C 27a_100102657272_100010080479 [0,1,0,0,0,0|2,0,0]=3 935 B14R2.1128 CNc1cc2nccnc2cc1F 27a_100102657272_100010080477 [0,1,0,0,0,0|2,0,0]=3 936 B14R2.1128 CNc1nc2ccccc2cc1C 27a_100102657272_100000751756 [0,1,0,0,0,0|3,0,0]=4 937 B14R2.1128 COc1cc2ccccc2cc1Br 34a_100009817189_200000210301 [0,1,0,0,0,0|1,0,0]=2 938 B14R2.1128 COc1cc2ccccc2cc1Br 7a_100009817189_200000210301 [0,1,0,0,0,0|1,0,0]=2 939 B14R2.1128 COc1cc2ccccc2cc1C 34a_100000091601_200000210301 [0,1,0,0,0,0|1,0,0]=2 940 B14R2.1128 COc1cc2ccccc2cc1C 7a_100000091601_200000210301 [0,1,0,0,0,0|1,0,0]=2 941 B14R2.1128 COc1cc2ccccc2cc1N 34a_106744474703_200000210301 [0,1,0,0,0,0|1,0,0]=2 942 B14R2.1128 COc1cc2ccccc2cc1N 7a_106744474703_200000210301 [0,1,0,0,0,0|1,0,0]=2 943 B14R2.1128 COc1cc2ccccc2cc1O 271570a_203496583355_100009817100 [0,1,0,0,0,0|1,0,0]=2 944 B14R2.1128 COc1cc2ccccc2nc1C 34a_200000079175_200000210301 [0,1,0,0,0,0|2,0,0]=3 945 B14R2.1128 COc1cc2ccccc2nc1C 7a_200000079175_200000210301 [0,1,0,0,0,0|2,0,0]=3 946 B14R2.1128 COc1cc2ccccc2nc1Cl 34a_200000100762_200000210301 [0,1,0,0,0,0|2,0,0]=3 947 B14R2.1128 COc1cc2ccccc2nc1Cl 7a_200000100762_200000210301 [0,1,0,0,0,0|2,0,0]=3 948 B14R2.1128 COc1cc2ccccc2oc1=O 7a_100000061252_200000210301 [0,1,0,0,0,0|2,0,0]=3 949 B14R2.1128 COc1cc2cccnc2cc1Br 34a_200010153759_200000210301 [0,1,0,0,0,0|0,0,0]=1 950 B14R2.1128 COc1cc2cccnc2cc1Br 7a_200010153759_200000210301 [0,1,0,0,0,0|0,0,0]=1 951 B14R2.1128 COc1cc2cccnc2cc1O 271570a_203496583355_100011093944 [0,1,0,0,0,0|0,0,0]=1 952 B14R2.1128 COc1cc2ccncc2cc1O 271570a_203496583355_100010990640 [0,1,0,0,0,0|2,0,0]=3 953 B14R2.1128 COc1cc2ncccc2cc1O 271570a_203496583355_100020706834 [0,1,0,0,0,0|2,0,0]=3 954 B14R2.1128 COc1nc2ccccc2cc1O 271570a_203496583355_100009820890 [0,1,0,0,0,0|2,0,0]=3 955 B14R2.1128 COc1nc2ccccc2nc1O 271570a_203496583355_100000085300 [0,1,0,0,0,0|3,0,0]=4 956 B14R2.1128 CSc1cc2ccccc2cc1Br 62a_200000210301_200010169544 [0,1,0,0,0,0|1,1,0]=3 957 B14R2.1128 CSc1cc2ccccc2cc1Br 62a_200010169544_200000210301 [0,1,0,0,0,0|1,1,0]=3 958 B14R2.1128 CSc1cc2ccccc2cc1Cl 62a_100010152806_200000210301 [0,1,0,0,0,0|1,1,0]=3 959 B14R2.1128 CSc1cc2ccccc2cc1Cl 62a_200000210301_100010152806 [0,1,0,0,0,0|1,1,0]=3 960 B14R2.1128 CSc1cc2ccccc2cc1N 62a_100009991566_200000210301 [0,1,0,0,0,0|1,1,0]=3 961 B14R2.1128 CSc1cc2ccccc2cc1N 62a_200000210301_100009991566 [0,1,0,0,0,0|1,1,0]=3 962 B14R2.1128 CSc1cc2ccccc2cc1O 62a_200000210301_100009817189 [0,1,0,0,0,0|1,1,0]=3 963 B14R2.1128 CSc1cc2ccccc2nc1Cl 62a_200000210301_100010220712 [0,1,0,0,0,0|2,1,0]=4 964 B14R2.1128 CSc1cc2ccccc2nc1F 62a_100011158909_200000210301 [0,1,0,0,0,0|2,1,0]=4 965 B14R2.1128 CSc1cc2ccccc2nc1F 62a_200000210301_100011158909 [0,1,0,0,0,0|2,1,0]=4 966 B14R2.1128 CSc1cc2ccccc2nc1N 62a_100010135404_200000210301 [0,1,0,0,0,0|2,1,0]=4 967 B14R2.1128 CSc1cc2ccccc2nc1O 62a_200000210301_200009820883 [0,1,0,0,0,0|2,1,0]=4 968 B14R2.1128 CSc1cc2ccccc2oc1=O 62a_200000210301_200000187772 [0,1,0,0,0,0|2,1,0]=4 969 B14R2.1128 CSc1cc2cccnc2cc1C 62a_100010137429_200000210301 [0,1,0,0,0,0|0,1,0]=2 970 B14R2.1128 CSc1cc2cccnc2cc1C 62a_200000210301_100010137429 [0,1,0,0,0,0|0,1,0]=2 971 B14R2.1128 CSc1cc2cccnc2cc1F 62a_100009854028_200000210301 [0,1,0,0,0,0|0,1,0]=2 972 B14R2.1128 CSc1cc2cccnc2cc1F 62a_200000210301_100009854028 [0,1,0,0,0,0|0,1,0]=2 973 B14R2.1128 CSc1cc2ccncc2cc1F 62a_100011105921_200000210301 [0,1,0,0,0,0|2,1,0]=4 974 B14R2.1128 CSc1cc2ccncc2cc1F 62a_200000210301_100011105921 [0,1,0,0,0,0|2,1,0]=4 975 B14R2.1128 CSc1cc2cnccc2cc1F 62a_100010244713_200000210301 [0,1,0,0,0,0|2,1,0]=4 976 B14R2.1128 CSc1cc2cnccc2cc1F 62a_200000210301_100010244713 [0,1,0,0,0,0|2,1,0]=4 977 B14R2.1128 CSc1cc2ncccc2cc1O 62a_200000210301_200010153759 [0,1,0,0,0,0|2,1,0]=4 978 B14R2.1128 CSc1cc2nccnc2cc1C 62a_100010080479_200000210301 [0,1,0,0,0,0|1,1,0]=3 979 B14R2.1128 CSc1cc2nccnc2cc1C 62a_200000210301_100010080479 [0,1,0,0,0,0|1,1,0]=3 980 B14R2.1128 CSc1cc2nccnc2cc1F 62a_100010080477_200000210301 [0,1,0,0,0,0|1,1,0]=3 981 B14R2.1128 CSc1cc2nccnc2cc1F 62a_200000210301_100010080477 [0,1,0,0,0,0|1,1,0]=3 982 B14R2.1128 CSc1cc2nccnc2nc1C 62a_100010212747_200000210301 [0,1,0,0,0,0|2,1,0]=4 983 B14R2.1128 CSc1cc2nccnc2nc1C 62a_200000210301_100010212747 [0,1,0,0,0,0|2,1,0]=4 984 B14R2.1128 CSc1nc2ccccc2cc1Br 62a_100010072790_200000210301 [0,1,0,0,0,0|2,1,0]=4 985 B14R2.1128 CSc1nc2ccccc2cc1Br 62a_200000210301_100010072790 [0,1,0,0,0,0|2,1,0]=4 986 B14R2.1128 CSc1nc2ccccc2cc1C 62a_200000210301_100000751756 [0,1,0,0,0,0|2,1,0]=4 987 B14R2.1128 CSc1nc2ccccc2cc1O 62a_200000210301_200000100762 [0,1,0,0,0,0|2,1,0]=4 988 B14R2.1128 Cc1cc2ccccc2cc1O[13CH3] 34a_100000091601_200025704644 [0,1,0,0,0,0|1,0,0]=2 989 B14R2.1128 Cc1cc2ccccc2cc1O[13CH3] 7a_100000091601_200025704644 [0,1,0,0,0,0|1,0,0]=2 990 B14R2.1128 Cc1cc2ccccc2nc1S[13CH3] 62a_200025704644_100000751756 [0,1,0,0,0,0|2,1,0]=4 991 B14R2.1128 Cc1cc2ncccc2cc1S[13CH3] 62a_100010137429_200025704644 [0,1,0,0,0,0|0,1,0]=2 992 B14R2.1128 Cc1cc2ncccc2cc1S[13CH3] 62a_200025704644_100010137429 [0,1,0,0,0,0|0,1,0]=2 993 B14R2.1128 Cc1cc2nccnc2cc1S[13CH3] 62a_100010080479_200025704644 [0,1,0,0,0,0|1,1,0]=3 994 B14R2.1128 Cc1cc2nccnc2cc1S[13CH3] 62a_200025704644_100010080479 [0,1,0,0,0,0|1,1,0]=3 995 B14R2.1128 Cc1nc2ccccc2cc1O[13CH3] 34a_200000079175_200025704644 [0,1,0,0,0,0|2,0,0]=3 996 B14R2.1128 Cc1nc2ccccc2cc1O[13CH3] 7a_200000079175_200025704644 [0,1,0,0,0,0|2,0,0]=3 997 B14R2.1128 Cc1nc2nccnc2cc1S[13CH3] 62a_100010212747_200025704644 [0,1,0,0,0,0|2,1,0]=4 998 B14R2.1128 Cc1nc2nccnc2cc1S[13CH3] 62a_200025704644_100010212747 [0,1,0,0,0,0|2,1,0]=4 999 B14R2.1128 [13CH3]Nc1cc2ccccc2cc1Br 34a_100009991566_200025704644 [0,1,0,0,0,0|2,0,0]=3 1000 B14R2.1128 [13CH3]Nc1cc2ccccc2cc1Br 7a_100009991566_200025704644 [0,1,0,0,0,0|2,0,0]=3 1001 B14R2.1128 [13CH3]Oc1cc2ccccc2cc1Br 34a_100009817189_200025704644 [0,1,0,0,0,0|1,0,0]=2 1002 B14R2.1128 [13CH3]Oc1cc2ccccc2cc1Br 7a_100009817189_200025704644 [0,1,0,0,0,0|1,0,0]=2 1003 B14R2.1128 [13CH3]Oc1cc2ccccc2cc1N 34a_106744474703_200025704644 [0,1,0,0,0,0|1,0,0]=2 1004 B14R2.1128 [13CH3]Oc1cc2ccccc2cc1N 7a_106744474703_200025704644 [0,1,0,0,0,0|1,0,0]=2 1005 B14R2.1128 [13CH3]Oc1cc2ccccc2nc1Cl 34a_200000100762_200025704644 [0,1,0,0,0,0|2,0,0]=3 1006 B14R2.1128 [13CH3]Oc1cc2ccccc2nc1Cl 7a_200000100762_200025704644 [0,1,0,0,0,0|2,0,0]=3 1007 B14R2.1128 [13CH3]Oc1cc2ccccc2oc1=O 7a_100000061252_200025704644 [0,1,0,0,0,0|2,0,0]=3 1008 B14R2.1128 [13CH3]Oc1cc2cccnc2cc1Br 34a_200010153759_200025704644 [0,1,0,0,0,0|0,0,0]=1 1009 B14R2.1128 [13CH3]Oc1cc2cccnc2cc1Br 7a_200010153759_200025704644 [0,1,0,0,0,0|0,0,0]=1 1010 B14R2.1128 [13CH3]Sc1cc2ccccc2cc1Br 62a_200010169544_200025704644 [0,1,0,0,0,0|1,1,0]=3 1011 B14R2.1128 [13CH3]Sc1cc2ccccc2cc1Br 62a_200025704644_200010169544 [0,1,0,0,0,0|1,1,0]=3 1012 B14R2.1128 [13CH3]Sc1cc2ccccc2cc1Cl 62a_100010152806_200025704644 [0,1,0,0,0,0|1,1,0]=3 1013 B14R2.1128 [13CH3]Sc1cc2ccccc2cc1Cl 62a_200025704644_100010152806 [0,1,0,0,0,0|1,1,0]=3 1014 B14R2.1128 [13CH3]Sc1cc2ccccc2cc1N 62a_100009991566_200025704644 [0,1,0,0,0,0|1,1,0]=3 1015 B14R2.1128 [13CH3]Sc1cc2ccccc2cc1N 62a_200025704644_100009991566 [0,1,0,0,0,0|1,1,0]=3 1016 B14R2.1128 [13CH3]Sc1cc2ccccc2cc1O 62a_200025704644_100009817189 [0,1,0,0,0,0|1,1,0]=3 1017 B14R2.1128 [13CH3]Sc1cc2ccccc2nc1Cl 62a_200025704644_100010220712 [0,1,0,0,0,0|2,1,0]=4 1018 B14R2.1128 [13CH3]Sc1cc2ccccc2nc1F 62a_100011158909_200025704644 [0,1,0,0,0,0|2,1,0]=4 1019 B14R2.1128 [13CH3]Sc1cc2ccccc2nc1F 62a_200025704644_100011158909 [0,1,0,0,0,0|2,1,0]=4 1020 B14R2.1128 [13CH3]Sc1cc2ccccc2nc1N 62a_100010135404_200025704644 [0,1,0,0,0,0|2,1,0]=4 1021 B14R2.1128 [13CH3]Sc1cc2ccccc2nc1O 62a_200025704644_200009820883 [0,1,0,0,0,0|2,1,0]=4 1022 B14R2.1128 [13CH3]Sc1cc2ccccc2oc1=O 62a_200025704644_200000187772 [0,1,0,0,0,0|2,1,0]=4 1023 B14R2.1128 [13CH3]Sc1cc2cccnc2cc1F 62a_100009854028_200025704644 [0,1,0,0,0,0|0,1,0]=2 1024 B14R2.1128 [13CH3]Sc1cc2cccnc2cc1F 62a_200025704644_100009854028 [0,1,0,0,0,0|0,1,0]=2 1025 B14R2.1128 [13CH3]Sc1cc2ccncc2cc1F 62a_100011105921_200025704644 [0,1,0,0,0,0|2,1,0]=4 1026 B14R2.1128 [13CH3]Sc1cc2ccncc2cc1F 62a_200025704644_100011105921 [0,1,0,0,0,0|2,1,0]=4 1027 B14R2.1128 [13CH3]Sc1cc2cnccc2cc1F 62a_100010244713_200025704644 [0,1,0,0,0,0|2,1,0]=4 1028 B14R2.1128 [13CH3]Sc1cc2cnccc2cc1F 62a_200025704644_100010244713 [0,1,0,0,0,0|2,1,0]=4 1029 B14R2.1128 [13CH3]Sc1cc2ncccc2cc1O 62a_200025704644_200010153759 [0,1,0,0,0,0|2,1,0]=4 1030 B14R2.1128 [13CH3]Sc1cc2nccnc2cc1F 62a_100010080477_200025704644 [0,1,0,0,0,0|1,1,0]=3 1031 B14R2.1128 [13CH3]Sc1cc2nccnc2cc1F 62a_200025704644_100010080477 [0,1,0,0,0,0|1,1,0]=3 1032 B14R2.1128 [13CH3]Sc1nc2ccccc2cc1Br 62a_100010072790_200025704644 [0,1,0,0,0,0|2,1,0]=4 1033 B14R2.1128 [13CH3]Sc1nc2ccccc2cc1Br 62a_200025704644_100010072790 [0,1,0,0,0,0|2,1,0]=4 1034 B14R2.1128 [13CH3]Sc1nc2ccccc2cc1O 62a_200025704644_200000100762 [0,1,0,0,0,0|2,1,0]=4 1035 B14R2.1801 C=Cc1ccc2c(cccc2c1)N 271570a_100011290941_100010090037 [0,1,0,0,0,0|2,0,1]=4 1036 B14R2.1801 C=Cc1ccc2c(cccc2c1)O 271570a_100011290941_100010202202 [0,1,0,0,0,0|2,0,1]=4 1037 B14R2.1801 CNc1ccc2c(cccc2c1)O 34a_100000035793_200000210301 [0,1,0,0,0,0|2,0,0]=3 1038 B14R2.1801 CNc1ccc2c(cccc2c1)O 7a_100000035793_200000210301 [0,1,0,0,0,0|2,0,0]=3 1039 B14R2.1801 CNc1ccc2c(ccnc2c1)Cl 27a_100102657272_100009996786 [0,1,0,0,0,0|3,0,0]=4 1040 B14R2.1801 COc1ccc2c(=O)[nH]ccc2c1 34a_100009857879_200000210301 [0,1,0,0,0,0|2,0,0]=3 1041 B14R2.1801 COc1ccc2c(=O)[nH]ccc2c1 7a_100009857879_200000210301 [0,1,0,0,0,0|2,0,0]=3 1042 B14R2.1801 COc1ccc2c(=O)ccoc2c1 34a_200000065989_200000210301 [0,1,0,0,0,0|2,0,0]=3 1043 B14R2.1801 COc1ccc2c(=O)ccoc2c1 7a_200000065989_200000210301 [0,1,0,0,0,0|2,0,0]=3 1044 B14R2.1801 COc1ccc2c(cccc2c1)N 34a_100000034668_200000210301 [0,1,0,0,0,0|1,0,0]=2 1045 B14R2.1801 COc1ccc2c(cccc2c1)N 7a_100000034668_200000210301 [0,1,0,0,0,0|1,0,0]=2 1046 B14R2.1801 COc1ccc2c(cccc2c1)O 271570a_203496583355_100010151670 [0,1,0,0,0,0|1,0,0]=2 1047 B14R2.1801 COc1ccc2c(ccnc2c1)Br 34a_100010204257_200000210301 [0,1,0,0,0,0|2,0,0]=3 1048 B14R2.1801 COc1ccc2c(ccnc2c1)Br 7a_100010204257_200000210301 [0,1,0,0,0,0|2,0,0]=3 1049 B14R2.1801 COc1ccc2c(ccnc2c1)C 34a_200009854145_200000210301 [0,1,0,0,0,0|2,0,0]=3 1050 B14R2.1801 COc1ccc2c(ccnc2c1)C 7a_200009854145_200000210301 [0,1,0,0,0,0|2,0,0]=3 1051 B14R2.1801 COc1ccc2c(ccnc2c1)Cl 34a_100000045489_200000210301 [0,1,0,0,0,0|2,0,0]=3 1052 B14R2.1801 COc1ccc2c(ccnc2c1)Cl 7a_100000045489_200000210301 [0,1,0,0,0,0|2,0,0]=3 1053 B14R2.1801 COc1ccc2c(ccnc2c1)O 271570a_203496583355_100000045488 [0,1,0,0,0,0|2,0,0]=3 1054 B14R2.1801 COc1ccc2c(nccc2c1)Cl 34a_100009867704_200000210301 [0,1,0,0,0,0|2,0,0]=3 1055 B14R2.1801 COc1ccc2c(nccc2c1)Cl 7a_100009867704_200000210301 [0,1,0,0,0,0|2,0,0]=3 1056 B14R2.1801 COc1ccc2c(nccc2c1)O 271570a_203496583355_100000084302 [0,1,0,0,0,0|2,0,0]=3 1057 B14R2.1801 COc1ccc2c(ncnc2c1)O 271570a_203496583355_100011248138 [0,1,0,0,0,0|3,0,0]=4 1058 B14R2.1801 COc1cnc2c(cccc2c1)F 34a_100012184956_200000210301 [0,1,0,0,0,0|2,0,0]=3 1059 B14R2.1801 COc1cnc2c(cccc2c1)F 7a_100012184956_200000210301 [0,1,0,0,0,0|2,0,0]=3 1060 B14R2.1801 COc1cnc2c(ccnc2c1)O 271570a_203496583355_100009875103 [0,1,0,0,0,0|3,0,0]=4 1061 B14R2.1801 CSc1ccc2c(=O)ccoc2c1 62a_200000210301_100010062221 [0,1,0,0,0,0|2,1,0]=4 1062 B14R2.1801 CSc1ccc2c(cccc2c1)N 62a_100010090037_200000210301 [0,1,0,0,0,0|1,1,0]=3 1063 B14R2.1801 CSc1ccc2c(cccc2c1)N 62a_200000210301_100010090037 [0,1,0,0,0,0|1,1,0]=3 1064 B14R2.1801 CSc1ccc2c(cccc2c1)O 62a_200000210301_100010202202 [0,1,0,0,0,0|1,1,0]=3 1065 B14R2.1801 CSc1ccc2c(ccnc2c1)C 62a_100010132309_200000210301 [0,1,0,0,0,0|2,1,0]=4 1066 B14R2.1801 CSc1ccc2c(ccnc2c1)C 62a_200000210301_100010132309 [0,1,0,0,0,0|2,1,0]=4 1067 B14R2.1801 CSc1ccc2c(ccnc2c1)Cl 62a_100009996786_200000210301 [0,1,0,0,0,0|2,1,0]=4 1068 B14R2.1801 CSc1ccc2c(ccnc2c1)Cl 62a_200000210301_100009996786 [0,1,0,0,0,0|2,1,0]=4 1069 B14R2.1801 CSc1ccc2c(ccnc2c1)N 62a_200009816820_200000210301 [0,1,0,0,0,0|2,1,0]=4 1070 B14R2.1801 CSc1ccc2c(ccnc2c1)O 62a_200000210301_100000756855 [0,1,0,0,0,0|2,1,0]=4 1071 B14R2.1801 CSc1ccc2c(nccc2c1)N 62a_100000732483_200000210301 [0,1,0,0,0,0|2,1,0]=4 1072 B14R2.1801 CSc1ccc2c(nccc2c1)N 62a_200000210301_100000732483 [0,1,0,0,0,0|2,1,0]=4 1073 B14R2.1801 CSc1ccc2c(nccc2c1)O 62a_200000210301_100000760485 [0,1,0,0,0,0|2,1,0]=4 1074 B14R2.1801 CSc1cnc2c(cccc2c1)Br 62a_100010204298_200000210301 [0,1,0,0,0,0|2,1,0]=4 1075 B14R2.1801 CSc1cnc2c(cccc2c1)Br 62a_200000210301_100010204298 [0,1,0,0,0,0|2,1,0]=4 1076 B14R2.1801 CSc1cnc2c(cccc2c1)C 62a_200000210301_100009829671 [0,1,0,0,0,0|2,1,0]=4 1077 B14R2.1801 CSc1cnc2c(cccc2c1)Cl 62a_200000210301_100000759377 [0,1,0,0,0,0|2,1,0]=4 1078 B14R2.1801 CSc1cnc2c(cccc2c1)F 62a_100000049890_200000210301 [0,1,0,0,0,0|2,1,0]=4 1079 B14R2.1801 CSc1cnc2c(cccc2c1)F 62a_200000210301_100000049890 [0,1,0,0,0,0|2,1,0]=4 1080 B14R2.1801 CSc1cnc2c(cccc2c1)N 62a_200000210301_100000702407 [0,1,0,0,0,0|2,1,0]=4 1081 B14R2.1801 Cc1cccc2c1ncc(c2)S[13CH3] 62a_200025704644_100009829671 [0,1,0,0,0,0|2,1,0]=4 1082 B14R2.1801 Cc1ccnc2c1ccc(c2)O[13CH3] 34a_200009854145_200025704644 [0,1,0,0,0,0|2,0,0]=3 1083 B14R2.1801 Cc1ccnc2c1ccc(c2)O[13CH3] 7a_200009854145_200025704644 [0,1,0,0,0,0|2,0,0]=3 1084 B14R2.1801 Cc1ccnc2c1ccc(c2)S[13CH3] 62a_100010132309_200025704644 [0,1,0,0,0,0|2,1,0]=4 1085 B14R2.1801 Cc1ccnc2c1ccc(c2)S[13CH3] 62a_200025704644_100010132309 [0,1,0,0,0,0|2,1,0]=4 1086 B14R2.1801 N#Cc1ccc2c(cccc2c1)O 271570a_203496583355_100010090035 [0,1,0,0,0,0|3,0,0]=4 1087 B14R2.1801 [13CH3]Nc1ccc2c(cccc2c1)O 34a_100000035793_200025704644 [0,1,0,0,0,0|2,0,0]=3 1088 B14R2.1801 [13CH3]Nc1ccc2c(cccc2c1)O 7a_100000035793_200025704644 [0,1,0,0,0,0|2,0,0]=3 1089 B14R2.1801 [13CH3]Oc1ccc2c(=O)[nH]ccc2c1 34a_100009857879_200025704644 [0,1,0,0,0,0|2,0,0]=3 1090 B14R2.1801 [13CH3]Oc1ccc2c(=O)[nH]ccc2c1 7a_100009857879_200025704644 [0,1,0,0,0,0|2,0,0]=3 1091 B14R2.1801 [13CH3]Oc1ccc2c(=O)ccoc2c1 34a_200000065989_200025704644 [0,1,0,0,0,0|2,0,0]=3 1092 B14R2.1801 [13CH3]Oc1ccc2c(=O)ccoc2c1 7a_200000065989_200025704644 [0,1,0,0,0,0|2,0,0]=3 1093 B14R2.1801 [13CH3]Oc1ccc2c(cccc2c1)N 34a_100000034668_200025704644 [0,1,0,0,0,0|1,0,0]=2 1094 B14R2.1801 [13CH3]Oc1ccc2c(cccc2c1)N 7a_100000034668_200025704644 [0,1,0,0,0,0|1,0,0]=2 1095 B14R2.1801 [13CH3]Oc1ccc2c(ccnc2c1)Br 34a_100010204257_200025704644 [0,1,0,0,0,0|2,0,0]=3 1096 B14R2.1801 [13CH3]Oc1ccc2c(ccnc2c1)Br 7a_100010204257_200025704644 [0,1,0,0,0,0|2,0,0]=3 1097 B14R2.1801 [13CH3]Oc1ccc2c(ccnc2c1)Cl 34a_100000045489_200025704644 [0,1,0,0,0,0|2,0,0]=3 1098 B14R2.1801 [13CH3]Oc1ccc2c(ccnc2c1)Cl 7a_100000045489_200025704644 [0,1,0,0,0,0|2,0,0]=3 1099 B14R2.1801 [13CH3]Oc1ccc2c(nccc2c1)Cl 34a_100009867704_200025704644 [0,1,0,0,0,0|2,0,0]=3 1100 B14R2.1801 [13CH3]Oc1ccc2c(nccc2c1)Cl 7a_100009867704_200025704644 [0,1,0,0,0,0|2,0,0]=3 1101 B14R2.1801 [13CH3]Oc1cnc2c(cccc2c1)F 34a_100012184956_200025704644 [0,1,0,0,0,0|2,0,0]=3 1102 B14R2.1801 [13CH3]Oc1cnc2c(cccc2c1)F 7a_100012184956_200025704644 [0,1,0,0,0,0|2,0,0]=3 1103 B14R2.1801 [13CH3]Sc1ccc2c(=O)ccoc2c1 62a_200025704644_100010062221 [0,1,0,0,0,0|2,1,0]=4 1104 B14R2.1801 [13CH3]Sc1ccc2c(cccc2c1)N 62a_100010090037_200025704644 [0,1,0,0,0,0|1,1,0]=3 1105 B14R2.1801 [13CH3]Sc1ccc2c(cccc2c1)N 62a_200025704644_100010090037 [0,1,0,0,0,0|1,1,0]=3 1106 B14R2.1801 [13CH3]Sc1ccc2c(cccc2c1)O 62a_200025704644_100010202202 [0,1,0,0,0,0|1,1,0]=3 1107 B14R2.1801 [13CH3]Sc1ccc2c(ccnc2c1)Cl 62a_100009996786_200025704644 [0,1,0,0,0,0|2,1,0]=4 1108 B14R2.1801 [13CH3]Sc1ccc2c(ccnc2c1)Cl 62a_200025704644_100009996786 [0,1,0,0,0,0|2,1,0]=4 1109 B14R2.1801 [13CH3]Sc1ccc2c(ccnc2c1)N 62a_200009816820_200025704644 [0,1,0,0,0,0|2,1,0]=4 1110 B14R2.1801 [13CH3]Sc1ccc2c(ccnc2c1)O 62a_200025704644_100000756855 [0,1,0,0,0,0|2,1,0]=4 1111 B14R2.1801 [13CH3]Sc1ccc2c(nccc2c1)N 62a_100000732483_200025704644 [0,1,0,0,0,0|2,1,0]=4 1112 B14R2.1801 [13CH3]Sc1ccc2c(nccc2c1)N 62a_200025704644_100000732483 [0,1,0,0,0,0|2,1,0]=4 1113 B14R2.1801 [13CH3]Sc1ccc2c(nccc2c1)O 62a_200025704644_100000760485 [0,1,0,0,0,0|2,1,0]=4 1114 B14R2.1801 [13CH3]Sc1cnc2c(cccc2c1)Br 62a_100010204298_200025704644 [0,1,0,0,0,0|2,1,0]=4 1115 B14R2.1801 [13CH3]Sc1cnc2c(cccc2c1)Br 62a_200025704644_100010204298 [0,1,0,0,0,0|2,1,0]=4 1116 B14R2.1801 [13CH3]Sc1cnc2c(cccc2c1)Cl 62a_200025704644_100000759377 [0,1,0,0,0,0|2,1,0]=4 1117 B14R2.1801 [13CH3]Sc1cnc2c(cccc2c1)F 62a_100000049890_200025704644 [0,1,0,0,0,0|2,1,0]=4 1118 B14R2.1801 [13CH3]Sc1cnc2c(cccc2c1)F 62a_200025704644_100000049890 [0,1,0,0,0,0|2,1,0]=4 1119 B14R2.1801 [13CH3]Sc1cnc2c(cccc2c1)N 62a_200025704644_100000702407 [0,1,0,0,0,0|2,1,0]=4 1120 B14R2.2332 C=Cc1ccc2[nH]c(=O)ccc2c1 271570a_100011290941_100011934725 [0,1,0,0,0,0|1,0,2]=4 1121 B14R2.2332 C=Cc1ccc2cc(ccc2c1)Br 271570a_100011290941_100012344972 [0,1,0,0,0,0|2,0,1]=4 1122 B14R2.2332 C=Cc1ccc2cc(ccc2c1)F 271570a_100011290941_100009817052 [0,1,0,0,0,0|2,0,1]=4 1123 B14R2.2332 C=Cc1ccc2cc(ccc2c1)N 271570a_100011290941_100000185457 [0,1,0,0,0,0|2,0,1]=4 1124 B14R2.2332 C=Cc1ccc2cc(ccc2c1)O 271570a_100011290941_100000185455 [0,1,0,0,0,0|2,0,1]=4 1125 B14R2.2332 C=Cc1ccc2nc(ccc2c1)C 271570a_100011290941_100000686635 [0,1,0,0,0,0|1,0,1]=3 1126 B14R2.2332 C=Cc1ccc2nc(ccc2c1)Cl 271570a_100011290941_200012034268 [0,1,0,0,0,0|1,0,1]=3 1127 B14R2.2332 C=Cc1ccc2nc(ccc2c1)N 271570a_100011290941_100011934619 [0,1,0,0,0,0|1,0,1]=3 1128 B14R2.2332 C=Cc1ccc2nc(ccc2n1)C 271570a_100011290941_200009884078 [0,1,0,0,0,0|2,0,1]=4 1129 B14R2.2332 C=Cc1ccc2nc(ncc2c1)N 271570a_100011290941_100010138702 [0,1,0,0,0,0|2,0,1]=4 1130 B14R2.2332 C=Cc1ccc2oc(=O)ccc2c1 271570a_100011290941_100009999946 [0,1,0,0,0,0|2,0,1]=4 1131 B14R2.2332 C=Cc1cnc2nc(ccc2c1)N 271570a_100011290941_100010214896 [0,1,0,0,0,0|2,0,1]=4 1132 B14R2.2332 C=Cc1cnc2nc(ccc2c1)O 271570a_100011290941_100009814606 [0,1,0,0,0,0|2,0,1]=4 1133 B14R2.2332 CNc1ccc2cc(ccc2c1)Br 34a_100000185457_200000210301 [0,1,0,0,0,0|2,0,0]=3 1134 B14R2.2332 CNc1ccc2cc(ccc2c1)Br 7a_100000185457_200000210301 [0,1,0,0,0,0|2,0,0]=3 1135 B14R2.2332 CNc1ccc2cc(ccc2n1)C 27a_100102657272_100011865911 [0,1,0,0,0,0|3,0,0]=4 1136 B14R2.2332 CNc1ccc2cc(ccc2n1)F 27a_100102657272_100011998705 [0,1,0,0,0,0|3,0,0]=4 1137 B14R2.2332 CNc1ccc2cc(ccc2n1)O 271570a_203496583355_200012034361 [0,1,0,0,0,0|3,0,0]=4 1138 B14R2.2332 CNc1ccc2cc(cnc2c1)Br 27a_100102657272_200015509644 [0,1,0,0,0,0|3,0,0]=4 1139 B14R2.2332 CNc1ccc2cc(cnc2c1)Br 34a_200010264087_200000210301 [0,1,0,0,0,0|3,0,0]=4 1140 B14R2.2332 CNc1ccc2nc(ccc2c1)C 34a_100011216442_200000210301 [0,1,0,0,0,0|1,0,0]=2 1141 B14R2.2332 CNc1ccc2nc(ccc2n1)C 27a_100102657272_200009884078 [0,1,0,0,0,0|2,0,0]=3 1142 B14R2.2332 CNc1ccc2nc(cnc2c1)Cl 34a_100009885871_200000210301 [0,1,0,0,0,0|2,0,0]=3 1143 B14R2.2332 CNc1ccc2oc(=O)ccc2c1 7a_100000008519_200000210301 [0,1,0,0,0,0|2,0,0]=3 1144 B14R2.2332 COc1ccc2c(c1)CCC(=O)C2 34a_100009852394_200000210301 [0,1,0,0,0,0|1,0,2]=4 1145 B14R2.2332 COc1ccc2c(c1)CCC(=O)C2 7a_100009852394_200000210301 [0,1,0,0,0,0|1,0,2]=4 1146 B14R2.2332 COc1ccc2c(c1)CCC(=O)N2 34a_100000735524_200000210301 [0,1,0,0,0,0|0,0,3]=4 1147 B14R2.2332 COc1ccc2cc(ccc2c1)Br 34a_100000185455_200000210301 [0,1,0,0,0,0|1,0,0]=2 1148 B14R2.2332 COc1ccc2cc(ccc2c1)Br 7a_100000185455_200000210301 [0,1,0,0,0,0|1,0,0]=2 1149 B14R2.2332 COc1ccc2cc(ccc2c1)C 34a_100000074090_200000210301 [0,1,0,0,0,0|1,0,0]=2 1150 B14R2.2332 COc1ccc2cc(ccc2c1)C 7a_100000074090_200000210301 [0,1,0,0,0,0|1,0,0]=2 1151 B14R2.2332 COc1ccc2cc(ccc2c1)Cl 34a_100000074905_200000210301 [0,1,0,0,0,0|1,0,0]=2 1152 B14R2.2332 COc1ccc2cc(ccc2c1)Cl 7a_100000074905_200000210301 [0,1,0,0,0,0|1,0,0]=2 1153 B14R2.2332 COc1ccc2cc(ccc2c1)F 34a_100009847029_200000210301 [0,1,0,0,0,0|1,0,0]=2 1154 B14R2.2332 COc1ccc2cc(ccc2c1)F 7a_100009847029_200000210301 [0,1,0,0,0,0|1,0,0]=2 1155 B14R2.2332 COc1ccc2cc(ccc2c1)O 271570a_203496583355_100000170439 [0,1,0,0,0,0|1,0,0]=2 1156 B14R2.2332 COc1ccc2cc(ccc2n1)O 271570a_203496583355_100009817092 [0,1,0,0,0,0|2,0,0]=3 1157 B14R2.2332 COc1ccc2cc(cnc2c1)Br 34a_200010153753_200000210301 [0,1,0,0,0,0|2,0,0]=3 1158 B14R2.2332 COc1ccc2cc(cnc2c1)Br 7a_200010153753_200000210301 [0,1,0,0,0,0|2,0,0]=3 1159 B14R2.2332 COc1ccc2nc(ccc2c1)C 34a_100000037634_200000210301 [0,1,0,0,0,0|0,0,0]=1 1160 B14R2.2332 COc1ccc2nc(ccc2c1)C 7a_100000037634_200000210301 [0,1,0,0,0,0|0,0,0]=1 1161 B14R2.2332 COc1ccc2nc(ccc2c1)Cl 34a_100009849208_200000210301 [0,1,0,0,0,0|0,0,0]=1 1162 B14R2.2332 COc1ccc2nc(ccc2c1)Cl 7a_100009849208_200000210301 [0,1,0,0,0,0|0,0,0]=1 1163 B14R2.2332 COc1ccc2nc(ccc2c1)O 271570a_203496583355_100000743015 [0,1,0,0,0,0|0,0,0]=1 1164 B14R2.2332 COc1ccc2nc(cnc2c1)Cl 34a_200010664160_200000210301 [0,1,0,0,0,0|1,0,0]=2 1165 B14R2.2332 COc1ccc2nc(cnc2c1)O 271570a_203496583355_100009843035 [0,1,0,0,0,0|1,0,0]=2 1166 B14R2.2332 COc1ccc2oc(=O)ccc2c1 34a_100000066265_200000210301 [0,1,0,0,0,0|1,0,0]=2 1167 B14R2.2332 COc1ccc2oc(=O)ccc2c1 7a_100000066265_200000210301 [0,1,0,0,0,0|1,0,0]=2 1168 B14R2.2332 COc1cnc2cc(ccc2c1)F 34a_100012184162_200000210301 [0,1,0,0,0,0|2,0,0]=3 1169 B14R2.2332 COc1cnc2cc(ccc2c1)F 7a_100012184162_200000210301 [0,1,0,0,0,0|2,0,0]=3 1170 B14R2.2332 CSc1ccc2[nH]c(=O)ccc2c1 62a_200000210301_100011934725 [0,1,0,0,0,0|0,1,1]=3 1171 B14R2.2332 CSc1ccc2[nH]c(=O)cnc2c1 62a_200000210301_100010209493 [0,1,0,0,0,0|1,1,1]=4 1172 B14R2.2332 CSc1ccc2c[n+](ccc2c1)C 62a_200000210301_100015191232 [0,1,0,0,0,0|2,1,0]=4 1173 B14R2.2332 CSc1ccc2cc(ccc2c1)Br 62a_100012344972_200000210301 [0,1,0,0,0,0|1,1,0]=3 1174 B14R2.2332 CSc1ccc2cc(ccc2c1)Br 62a_200000210301_100012344972 [0,1,0,0,0,0|1,1,0]=3 1175 B14R2.2332 CSc1ccc2cc(ccc2c1)F 62a_100009817052_200000210301 [0,1,0,0,0,0|1,1,0]=3 1176 B14R2.2332 CSc1ccc2cc(ccc2c1)F 62a_200000210301_100009817052 [0,1,0,0,0,0|1,1,0]=3 1177 B14R2.2332 CSc1ccc2cc(ccc2c1)N 62a_100000185457_200000210301 [0,1,0,0,0,0|1,1,0]=3 1178 B14R2.2332 CSc1ccc2cc(ccc2c1)N 62a_200000210301_100000185457 [0,1,0,0,0,0|1,1,0]=3 1179 B14R2.2332 CSc1ccc2cc(ccc2c1)O 62a_200000210301_100000185455 [0,1,0,0,0,0|1,1,0]=3 1180 B14R2.2332 CSc1ccc2cc(ccc2n1)C 62a_200000181977_200000210301 [0,1,0,0,0,0|2,1,0]=4 1181 B14R2.2332 CSc1ccc2cc(ccc2n1)C 62a_200000210301_100011865911 [0,1,0,0,0,0|2,1,0]=4 1182 B14R2.2332 CSc1ccc2cc(ccc2n1)F 62a_200000210301_100011998705 [0,1,0,0,0,0|2,1,0]=4 1183 B14R2.2332 CSc1ccc2cc(ccc2n1)F 62a_200012355665_200000210301 [0,1,0,0,0,0|2,1,0]=4 1184 B14R2.2332 CSc1ccc2cc(ccc2n1)O 62a_200000210301_100009849208 [0,1,0,0,0,0|2,1,0]=4 1185 B14R2.2332 CSc1ccc2cc(cnc2c1)Br 62a_200000210301_200015509644 [0,1,0,0,0,0|2,1,0]=4 1186 B14R2.2332 CSc1ccc2cc(cnc2c1)Br 62a_200015509644_200000210301 [0,1,0,0,0,0|2,1,0]=4 1187 B14R2.2332 CSc1ccc2cc(cnc2c1)C 62a_200000210301_100010751441 [0,1,0,0,0,0|2,1,0]=4 1188 B14R2.2332 CSc1ccc2cc(cnc2c1)F 62a_100010751466_200000210301 [0,1,0,0,0,0|2,1,0]=4 1189 B14R2.2332 CSc1ccc2cc(cnc2c1)F 62a_200000210301_100010751466 [0,1,0,0,0,0|2,1,0]=4 1190 B14R2.2332 CSc1ccc2cc(cnc2c1)N 62a_100010142226_200000210301 [0,1,0,0,0,0|2,1,0]=4 1191 B14R2.2332 CSc1ccc2cc(cnc2c1)N 62a_200000210301_100010142226 [0,1,0,0,0,0|2,1,0]=4 1192 B14R2.2332 CSc1ccc2cc(ncc2c1)N 62a_100010232990_200000210301 [0,1,0,0,0,0|2,1,0]=4 1193 B14R2.2332 CSc1ccc2cc(ncc2c1)N 62a_200000210301_100010232990 [0,1,0,0,0,0|2,1,0]=4 1194 B14R2.2332 CSc1ccc2nc(ccc2c1)C 62a_100000686635_200000210301 [0,1,0,0,0,0|0,1,0]=2 1195 B14R2.2332 CSc1ccc2nc(ccc2c1)C 62a_200000210301_100000686635 [0,1,0,0,0,0|0,1,0]=2 1196 B14R2.2332 CSc1ccc2nc(ccc2c1)Cl 62a_200000210301_200012034268 [0,1,0,0,0,0|0,1,0]=2 1197 B14R2.2332 CSc1ccc2nc(ccc2c1)N 62a_100011934619_200000210301 [0,1,0,0,0,0|0,1,0]=2 1198 B14R2.2332 CSc1ccc2nc(ccc2n1)C 62a_200000210301_200009884078 [0,1,0,0,0,0|1,1,0]=3 1199 B14R2.2332 CSc1ccc2nc(ncc2c1)N 62a_100010138702_200000210301 [0,1,0,0,0,0|1,1,0]=3 1200 B14R2.2332 CSc1ccc2nc(ncc2c1)N 62a_200000210301_100010138702 [0,1,0,0,0,0|1,1,0]=3 1201 B14R2.2332 CSc1ccc2oc(=O)ccc2c1 62a_200000210301_100009999946 [0,1,0,0,0,0|1,1,0]=3 1202 B14R2.2332 CSc1cnc2cc(ccc2c1)Cl 62a_100015716233_200000210301 [0,1,0,0,0,0|2,1,0]=4 1203 B14R2.2332 CSc1cnc2cc(ccc2c1)Cl 62a_200000210301_100015716233 [0,1,0,0,0,0|2,1,0]=4 1204 B14R2.2332 CSc1cnc2cc(ccc2c1)N 62a_200000210301_200010264087 [0,1,0,0,0,0|2,1,0]=4 1205 B14R2.2332 CSc1cnc2cc(ccc2c1)N 62a_200010264087_200000210301 [0,1,0,0,0,0|2,1,0]=4 1206 B14R2.2332 CSc1cnc2cc(ccc2c1)O 62a_200000210301_200010153753 [0,1,0,0,0,0|2,1,0]=4 1207 B14R2.2332 CSc1cnc2nc(ccc2c1)N 62a_100010214896_200000210301 [0,1,0,0,0,0|1,1,0]=3 1208 B14R2.2332 CSc1cnc2nc(ccc2c1)N 62a_200000210301_100010214896 [0,1,0,0,0,0|1,1,0]=3 1209 B14R2.2332 CSc1cnc2nc(ccc2c1)O 62a_200000210301_100009814606 [0,1,0,0,0,0|1,1,0]=3 1210 B14R2.2332 CSc1cnc2nc(ncc2c1)N 62a_200000210301_200010063650 [0,1,0,0,0,0|2,1,0]=4 1211 B14R2.2332 CSc1cnc2nc(ncc2c1)N 62a_200010063650_200000210301 [0,1,0,0,0,0|2,1,0]=4 1212 B14R2.2332 C[n+]1ccc2cc(ccc2c1)S[13CH3] 62a_200025704644_100015191232 [0,1,0,0,0,0|2,1,0]=4 1213 B14R2.2332 Cc1ccc2cc(ccc2c1)O[13CH3] 34a_100000074090_200025704644 [0,1,0,0,0,0|1,0,0]=2 1214 B14R2.2332 Cc1ccc2cc(ccc2c1)O[13CH3] 7a_100000074090_200025704644 [0,1,0,0,0,0|1,0,0]=2 1215 B14R2.2332 Cc1ccc2cc(ccc2n1)N[13CH3] 34a_100011216442_200025704644 [0,1,0,0,0,0|1,0,0]=2 1216 B14R2.2332 Cc1ccc2cc(ccc2n1)O[13CH3] 34a_100000037634_200025704644 [0,1,0,0,0,0|0,0,0]=1 1217 B14R2.2332 Cc1ccc2cc(ccc2n1)O[13CH3] 7a_100000037634_200025704644 [0,1,0,0,0,0|0,0,0]=1 1218 B14R2.2332 Cc1ccc2cc(ccc2n1)S[13CH3] 62a_100000686635_200025704644 [0,1,0,0,0,0|0,1,0]=2 1219 B14R2.2332 Cc1ccc2cc(ccc2n1)S[13CH3] 62a_200025704644_100000686635 [0,1,0,0,0,0|0,1,0]=2 1220 B14R2.2332 Cc1ccc2nc(ccc2c1)S[13CH3] 62a_200000181977_200025704644 [0,1,0,0,0,0|2,1,0]=4 1221 B14R2.2332 Cc1ccc2nc(ccc2c1)S[13CH3] 62a_200025704644_100011865911 [0,1,0,0,0,0|2,1,0]=4 1222 B14R2.2332 Cc1ccc2nc(ccc2n1)S[13CH3] 62a_200025704644_200009884078 [0,1,0,0,0,0|1,1,0]=3 1223 B14R2.2332 Cc1cnc2cc(ccc2c1)S[13CH3] 62a_200025704644_100010751441 [0,1,0,0,0,0|2,1,0]=4 1224 B14R2.2332 N#Cc1ccc2nc(ccc2c1)O 271570a_203496583355_100000091635 [0,1,0,0,0,0|2,0,0]=3 1225 B14R2.2332 O=Cc1ccc2cc(ccc2c1)O 271570a_203496583355_100012356508 [0,1,0,0,0,0|3,0,0]=4 1226 B14R2.2332 O=Cc1ccc2nc(ccc2c1)O 271570a_203496583355_100000087602 [0,1,0,0,0,0|2,0,0]=3 1227 B14R2.2332 OCc1ccc2cc(ccc2c1)O 271570a_203496583355_100012356509 [0,1,0,0,0,0|3,0,0]=4 1228 B14R2.2332 [13CH3]Nc1ccc2cc(ccc2c1)Br 34a_100000185457_200025704644 [0,1,0,0,0,0|2,0,0]=3 1229 B14R2.2332 [13CH3]Nc1ccc2cc(ccc2c1)Br 7a_100000185457_200025704644 [0,1,0,0,0,0|2,0,0]=3 1230 B14R2.2332 [13CH3]Nc1ccc2cc(cnc2c1)Br 34a_200010264087_200025704644 [0,1,0,0,0,0|3,0,0]=4 1231 B14R2.2332 [13CH3]Nc1ccc2nc(cnc2c1)Cl 34a_100009885871_200025704644 [0,1,0,0,0,0|2,0,0]=3 1232 B14R2.2332 [13CH3]Nc1ccc2oc(=O)ccc2c1 7a_100000008519_200025704644 [0,1,0,0,0,0|2,0,0]=3 1233 B14R2.2332 [13CH3]Oc1ccc2c(c1)CCC(=O)C2 34a_100009852394_200025704644 [0,1,0,0,0,0|1,0,2]=4 1234 B14R2.2332 [13CH3]Oc1ccc2c(c1)CCC(=O)C2 7a_100009852394_200025704644 [0,1,0,0,0,0|1,0,2]=4 1235 B14R2.2332 [13CH3]Oc1ccc2c(c1)CCC(=O)N2 34a_100000735524_200025704644 [0,1,0,0,0,0|0,0,3]=4 1236 B14R2.2332 [13CH3]Oc1ccc2cc(ccc2c1)Br 34a_100000185455_200025704644 [0,1,0,0,0,0|1,0,0]=2 1237 B14R2.2332 [13CH3]Oc1ccc2cc(ccc2c1)Br 7a_100000185455_200025704644 [0,1,0,0,0,0|1,0,0]=2 1238 B14R2.2332 [13CH3]Oc1ccc2cc(ccc2c1)Cl 34a_100000074905_200025704644 [0,1,0,0,0,0|1,0,0]=2 1239 B14R2.2332 [13CH3]Oc1ccc2cc(ccc2c1)Cl 7a_100000074905_200025704644 [0,1,0,0,0,0|1,0,0]=2 1240 B14R2.2332 [13CH3]Oc1ccc2cc(ccc2c1)F 34a_100009847029_200025704644 [0,1,0,0,0,0|1,0,0]=2 1241 B14R2.2332 [13CH3]Oc1ccc2cc(ccc2c1)F 7a_100009847029_200025704644 [0,1,0,0,0,0|1,0,0]=2 1242 B14R2.2332 [13CH3]Oc1ccc2cc(cnc2c1)Br 34a_200010153753_200025704644 [0,1,0,0,0,0|2,0,0]=3 1243 B14R2.2332 [13CH3]Oc1ccc2cc(cnc2c1)Br 7a_200010153753_200025704644 [0,1,0,0,0,0|2,0,0]=3 1244 B14R2.2332 [13CH3]Oc1ccc2nc(ccc2c1)Cl 34a_100009849208_200025704644 [0,1,0,0,0,0|0,0,0]=1 1245 B14R2.2332 [13CH3]Oc1ccc2nc(ccc2c1)Cl 7a_100009849208_200025704644 [0,1,0,0,0,0|0,0,0]=1 1246 B14R2.2332 [13CH3]Oc1ccc2nc(cnc2c1)Cl 34a_200010664160_200025704644 [0,1,0,0,0,0|1,0,0]=2 1247 B14R2.2332 [13CH3]Oc1ccc2oc(=O)ccc2c1 34a_100000066265_200025704644 [0,1,0,0,0,0|1,0,0]=2 1248 B14R2.2332 [13CH3]Oc1ccc2oc(=O)ccc2c1 7a_100000066265_200025704644 [0,1,0,0,0,0|1,0,0]=2 1249 B14R2.2332 [13CH3]Oc1cnc2cc(ccc2c1)F 34a_100012184162_200025704644 [0,1,0,0,0,0|2,0,0]=3 1250 B14R2.2332 [13CH3]Oc1cnc2cc(ccc2c1)F 7a_100012184162_200025704644 [0,1,0,0,0,0|2,0,0]=3 1251 B14R2.2332 [13CH3]Sc1ccc2[nH]c(=O)ccc2c1 62a_200025704644_100011934725 [0,1,0,0,0,0|0,1,1]=3 1252 B14R2.2332 [13CH3]Sc1ccc2[nH]c(=O)cnc2c1 62a_200025704644_100010209493 [0,1,0,0,0,0|1,1,1]=4 1253 B14R2.2332 [13CH3]Sc1ccc2cc(ccc2c1)Br 62a_100012344972_200025704644 [0,1,0,0,0,0|1,1,0]=3 1254 B14R2.2332 [13CH3]Sc1ccc2cc(ccc2c1)Br 62a_200025704644_100012344972 [0,1,0,0,0,0|1,1,0]=3 1255 B14R2.2332 [13CH3]Sc1ccc2cc(ccc2c1)F 62a_100009817052_200025704644 [0,1,0,0,0,0|1,1,0]=3 1256 B14R2.2332 [13CH3]Sc1ccc2cc(ccc2c1)F 62a_200025704644_100009817052 [0,1,0,0,0,0|1,1,0]=3 1257 B14R2.2332 [13CH3]Sc1ccc2cc(ccc2c1)N 62a_100000185457_200025704644 [0,1,0,0,0,0|1,1,0]=3 1258 B14R2.2332 [13CH3]Sc1ccc2cc(ccc2c1)N 62a_200025704644_100000185457 [0,1,0,0,0,0|1,1,0]=3 1259 B14R2.2332 [13CH3]Sc1ccc2cc(ccc2c1)O 62a_200025704644_100000185455 [0,1,0,0,0,0|1,1,0]=3 1260 B14R2.2332 [13CH3]Sc1ccc2cc(ccc2n1)F 62a_200012355665_200025704644 [0,1,0,0,0,0|2,1,0]=4 1261 B14R2.2332 [13CH3]Sc1ccc2cc(ccc2n1)F 62a_200025704644_100011998705 [0,1,0,0,0,0|2,1,0]=4 1262 B14R2.2332 [13CH3]Sc1ccc2cc(ccc2n1)O 62a_200025704644_100009849208 [0,1,0,0,0,0|2,1,0]=4 1263 B14R2.2332 [13CH3]Sc1ccc2cc(cnc2c1)Br 62a_200015509644_200025704644 [0,1,0,0,0,0|2,1,0]=4 1264 B14R2.2332 [13CH3]Sc1ccc2cc(cnc2c1)Br 62a_200025704644_200015509644 [0,1,0,0,0,0|2,1,0]=4 1265 B14R2.2332 [13CH3]Sc1ccc2cc(cnc2c1)F 62a_100010751466_200025704644 [0,1,0,0,0,0|2,1,0]=4 1266 B14R2.2332 [13CH3]Sc1ccc2cc(cnc2c1)F 62a_200025704644_100010751466 [0,1,0,0,0,0|2,1,0]=4 1267 B14R2.2332 [13CH3]Sc1ccc2cc(cnc2c1)N 62a_100010142226_200025704644 [0,1,0,0,0,0|2,1,0]=4 1268 B14R2.2332 [13CH3]Sc1ccc2cc(cnc2c1)N 62a_200025704644_100010142226 [0,1,0,0,0,0|2,1,0]=4 1269 B14R2.2332 [13CH3]Sc1ccc2cc(ncc2c1)N 62a_100010232990_200025704644 [0,1,0,0,0,0|2,1,0]=4 1270 B14R2.2332 [13CH3]Sc1ccc2cc(ncc2c1)N 62a_200025704644_100010232990 [0,1,0,0,0,0|2,1,0]=4 1271 B14R2.2332 [13CH3]Sc1ccc2nc(ccc2c1)Cl 62a_200025704644_200012034268 [0,1,0,0,0,0|0,1,0]=2 1272 B14R2.2332 [13CH3]Sc1ccc2nc(ccc2c1)N 62a_100011934619_200025704644 [0,1,0,0,0,0|0,1,0]=2 1273 B14R2.2332 [13CH3]Sc1ccc2nc(ncc2c1)N 62a_100010138702_200025704644 [0,1,0,0,0,0|1,1,0]=3 1274 B14R2.2332 [13CH3]Sc1ccc2nc(ncc2c1)N 62a_200025704644_100010138702 [0,1,0,0,0,0|1,1,0]=3 1275 B14R2.2332 [13CH3]Sc1ccc2oc(=O)ccc2c1 62a_200025704644_100009999946 [0,1,0,0,0,0|1,1,0]=3 1276 B14R2.2332 [13CH3]Sc1cnc2cc(ccc2c1)Cl 62a_100015716233_200025704644 [0,1,0,0,0,0|2,1,0]=4 1277 B14R2.2332 [13CH3]Sc1cnc2cc(ccc2c1)Cl 62a_200025704644_100015716233 [0,1,0,0,0,0|2,1,0]=4 1278 B14R2.2332 [13CH3]Sc1cnc2cc(ccc2c1)N 62a_200010264087_200025704644 [0,1,0,0,0,0|2,1,0]=4 1279 B14R2.2332 [13CH3]Sc1cnc2cc(ccc2c1)N 62a_200025704644_200010264087 [0,1,0,0,0,0|2,1,0]=4 1280 B14R2.2332 [13CH3]Sc1cnc2cc(ccc2c1)O 62a_200025704644_200010153753 [0,1,0,0,0,0|2,1,0]=4 1281 B14R2.2332 [13CH3]Sc1cnc2nc(ccc2c1)N 62a_100010214896_200025704644 [0,1,0,0,0,0|1,1,0]=3 1282 B14R2.2332 [13CH3]Sc1cnc2nc(ccc2c1)N 62a_200025704644_100010214896 [0,1,0,0,0,0|1,1,0]=3 1283 B14R2.2332 [13CH3]Sc1cnc2nc(ccc2c1)O 62a_200025704644_100009814606 [0,1,0,0,0,0|1,1,0]=3 1284 B14R2.2332 [13CH3]Sc1cnc2nc(ncc2c1)N 62a_200010063650_200025704644 [0,1,0,0,0,0|2,1,0]=4 1285 B14R2.2332 [13CH3]Sc1cnc2nc(ncc2c1)N 62a_200025704644_200010063650 [0,1,0,0,0,0|2,1,0]=4 1286 B12R1.27 CCC(=O)C=Cc1ccccc1 1458a_100000210462_100000210202 [0,0,1,0,0,0|3,0,0]=4 1287 B12R1.27 CCC(=O)C=Cc1ccccn1 1458a_100000740811_100000210202 [0,0,1,0,0,0|2,0,0]=3 1288 B12R1.27 CNC(=O)C=Cc1ccccc1 11a_106832991635_100000210462 [0,0,1,0,0,0|3,0,0]=4 1289 B12R1.27 CNC(=O)C=Cc1ccccc1 1626a_100102657272_100000210462 [0,0,1,0,0,0|3,0,0]=4 1290 B12R1.27 CNC(=O)C=Cc1ccccn1 11a_106832991635_100000740811 [0,0,1,0,0,0|2,0,0]=3 1291 B12R1.27 CNC(=O)C=Cc1ccccn1 240690a_100102657272_100000740811 [0,0,1,0,0,0|2,0,0]=3 1292 B12R1.27 COC(=O)CSc1ccccn1 62a_100000747449_100011216584 [0,0,1,0,0,0|2,0,1]=4 1293 B12R1.27 COC(=O)CSc1ccccn1 62a_100011216584_100000747449 [0,0,1,0,0,0|2,0,1]=4 1294 B12R1.27 O=C(C=Cc1ccccn1)CF 1458a_100000740811_100015361967 [0,0,1,0,0,0|3,0,0]=4 1295 B12R1.71 C=CCNc1ccc(cc1)CC 2230a_100000211069_100000210623 [0,0,1,0,0,0|1,0,2]=4 1296 B12R1.71 C=CCNc1ccc(cc1)CC 34a_100000211069_100015514636 [0,0,1,0,0,0|1,0,2]=4 1297 B12R1.71 C=CCNc1ccc(cc1)OC 34a_100000184247_100015514636 [0,0,1,0,0,0|0,0,2]=3 1298 B12R1.71 C=CCNc1ccc(cc1)SC 34a_100000212337_100015514636 [0,0,1,0,0,0|0,1,2]=4 1299 B12R1.71 C=CCOc1ccc(cc1)CC 34a_100000211359_100015514636 [0,0,1,0,0,0|2,0,1]=4 1300 B12R1.71 C=CCOc1ccc(cc1)CC 7a_100000211359_100015514636 [0,0,1,0,0,0|2,0,1]=4 1301 B12R1.71 C=CCOc1ccc(cc1)NC 34a_100000182112_100015514636 [0,0,1,0,0,0|2,0,1]=4 1302 B12R1.71 C=CCOc1ccc(cc1)OC 34a_100000210503_100015514636 [0,0,1,0,0,0|1,0,1]=3 1303 B12R1.71 C=CCOc1ccc(cc1)SC 34a_100000211864_100015514636 [0,0,1,0,0,0|1,1,1]=4 1304 B12R1.71 C=CCOc1ccc(cc1)SC 62a_100000172055_200000210301 [0,0,1,0,0,0|1,1,1]=4 1305 B12R1.71 C=CCOc1ccc(cc1)SC 62a_200000210301_100000172055 [0,0,1,0,0,0|1,1,1]=4 1306 B12R1.71 C=CCOc1ccc(cc1)S[13CH3] 62a_100000172055_200025704644 [0,0,1,0,0,0|1,1,1]=4 1307 B12R1.71 C=CCOc1ccc(cc1)S[13CH3] 62a_200025704644_100000172055 [0,0,1,0,0,0|1,1,1]=4 1308 B12R1.71 C=CCOc1ccc(cn1)OC 34a_100012002028_100015514636 [0,0,1,0,0,0|2,0,1]=4 1309 B12R1.71 C=CCOc1ccc(nc1)OC 34a_100011934560_100015514636 [0,0,1,0,0,0|2,0,1]=4 1310 B12R1.71 C=CCSc1ccc(cc1)CC 62a_100000210623_100011215824 [0,0,1,0,0,0|2,0,1]=4 1311 B12R1.71 C=CCSc1ccc(cc1)CC 62a_100011215824_100000210623 [0,0,1,0,0,0|2,0,1]=4 1312 B12R1.71 C=CCSc1ccc(cc1)NC 62a_100000210623_100000743151 [0,0,1,0,0,0|2,0,1]=4 1313 B12R1.71 C=CCSc1ccc(cc1)NC 62a_100000743151_100000210623 [0,0,1,0,0,0|2,0,1]=4 1314 B12R1.71 C=CCSc1ccc(cc1)OC 62a_100000210623_100000171711 [0,0,1,0,0,0|1,0,1]=3 1315 B12R1.71 C=CCSc1ccc(cc1)SC 62a_100000210623_100011263217 [0,0,1,0,0,0|1,1,1]=4 1316 B12R1.71 C=CCSc1ccc(cc1)SC 62a_100011263217_100000210623 [0,0,1,0,0,0|1,1,1]=4 1317 B12R1.71 C=CCSc1ccc(cn1)OC 62a_100000210623_100000744180 [0,0,1,0,0,0|2,0,1]=4 1318 B12R1.71 C=CCSc1ccc(cn1)OC 62a_100000755202_100000210623 [0,0,1,0,0,0|2,0,1]=4 1319 B12R1.71 C=CCSc1ccc(nc1)OC 62a_100000047065_100000210623 [0,0,1,0,0,0|2,0,1]=4 1320 B12R1.71 C=CCSc1ccc(nc1)OC 62a_100000210623_100000047065 [0,0,1,0,0,0|2,0,1]=4 1321 B12R1.71 CC=NNc1ccc(cc1)OC 4a_100000005221_200000210099 [0,0,1,0,0,0|1,0,2]=4 1322 B12R1.71 COc1ccc(cc1)NCC=O 34a_100000184247_200009817547 [0,0,1,0,0,0|1,0,2]=4 1323 B12R1.71 COc1ccc(cc1)OCC=O 34a_100000210503_200009817547 [0,0,1,0,0,0|2,0,1]=4 1324 B12R1.71 COc1ccc(cc1)SCC=O 62a_200015260668_100000171711 [0,0,1,0,0,0|2,0,1]=4 1325 B12R1.71 CSc1ccc(cc1)/C=C/C=O 62a_100016291818_200000210301 [0,0,1,0,0,0|2,1,0]=4 1326 B12R1.71 CSc1ccc(cc1)/C=C/C=O 62a_200000210301_100016291818 [0,0,1,0,0,0|2,1,0]=4 1327 B12R1.71 [13CH3]Sc1ccc(cc1)/C=C/C=O 62a_100016291818_200025704644 [0,0,1,0,0,0|2,1,0]=4 1328 B12R1.71 [13CH3]Sc1ccc(cc1)/C=C/C=O 62a_200025704644_100016291818 [0,0,1,0,0,0|2,1,0]=4 1329 B12R1.78 C=Cc1cc(ccc1C#N)CC 271570a_100011290941_100010295696 [0,0,1,0,0,0|3,0,0]=4 1330 B12R1.78 C=Cc1cc(ccc1C#N)OC 271570a_100011290941_100012355471 [0,0,1,0,0,0|2,0,0]=3 1331 B12R1.78 C=Cc1cc(ccc1C=O)OC 271570a_100011290941_100000723261 [0,0,1,0,0,0|2,0,0]=3 1332 B12R1.78 C=Cc1cc(ccc1CO)OC 271570a_100011290941_100011982768 [0,0,1,0,0,0|2,0,0]=3 1333 B12R1.78 C=Cc1cc(ccc1OC)CC 271570a_100011290941_100010062400 [0,0,1,0,0,0|2,0,1]=4 1334 B12R1.78 C=Cc1cc(ccc1OC)NC 271570a_100011290941_114948341033 [0,0,1,0,0,0|2,0,1]=4 1335 B12R1.78 C=Cc1cc(ccc1OC)OC 271570a_100011290941_100011215452 [0,0,1,0,0,0|1,0,1]=3 1336 B12R1.78 C=Cc1cc(cnc1C#N)OC 271570a_100011290941_100010187620 [0,0,1,0,0,0|3,0,0]=4 1337 B12R1.78 C=Cc1cc(cnc1C=O)OC 271570a_100011290941_200010135874 [0,0,1,0,0,0|3,0,0]=4 1338 B12R1.78 C=Cc1cc(ncc1C#N)OC 271570a_100011290941_100000696732 [0,0,1,0,0,0|3,0,0]=4 1339 B12R1.78 C=Cc1ccc(cc1C#N)OC 271570a_100011290941_100000748272 [0,0,1,0,0,0|2,0,1]=4 1340 B12R1.78 C=Cc1ccc(cc1C=O)OC 271570a_100011290941_100000691568 [0,0,1,0,0,0|2,0,0]=3 1341 B12R1.78 C=Cc1ccc(cc1CC)OC 271570a_100011290941_100000720562 [0,0,1,0,0,0|1,0,2]=4 1342 B12R1.78 C=Cc1ccc(cc1CN)OC 271570a_100011290941_100000741592 [0,0,1,0,0,0|2,0,1]=4 1343 B12R1.78 C=Cc1ccc(cc1CO)OC 271570a_100011290941_200011273942 [0,0,1,0,0,0|2,0,1]=4 1344 B12R1.78 C=Cc1ccc(cc1OC)OC 271570a_100011290941_100000750026 [0,0,1,0,0,0|2,0,1]=4 1345 B12R1.78 C=Cc1ccc(nc1C=O)OC 271570a_100011290941_200010173843 [0,0,1,0,0,0|3,0,0]=4 1346 B12R1.78 C=Cc1cnc(cc1C=O)OC 271570a_100011290941_100010171658 [0,0,1,0,0,0|3,0,0]=4 1347 B12R1.78 C=Cc1nc(ccc1C=O)OC 271570a_100011290941_100012351648 [0,0,1,0,0,0|3,0,0]=4 1348 B12R1.78 C=Cc1nc(ccc1CO)OC 271570a_100011290941_100009885603 [0,0,1,0,0,0|3,0,0]=4 1349 B12R1.78 COc1ccc(c(c1)C=O)SC 62a_100000691568_200000210301 [0,0,1,0,0,0|2,0,1]=4 1350 B12R1.78 COc1ccc(c(c1)C=O)SC 62a_200000210301_100000691568 [0,0,1,0,0,0|2,0,1]=4 1351 B12R1.78 COc1ccc(c(c1)C=O)S[13CH3] 62a_100000691568_200025704644 [0,0,1,0,0,0|2,0,1]=4 1352 B12R1.78 COc1ccc(c(c1)C=O)S[13CH3] 62a_200025704644_100000691568 [0,0,1,0,0,0|2,0,1]=4 1353 B12R1.78 COc1ccc(c(c1)OC)N=O 34a_200010658452_200000210301 [0,0,1,0,0,0|2,0,1]=4 1354 B12R1.78 COc1ccc(c(c1)OC)N=O 7a_200010658452_200000210301 [0,0,1,0,0,0|2,0,1]=4 1355 B12R1.78 COc1ccc(c(c1)O[13CH3])N=O 34a_200010658452_200025704644 [0,0,1,0,0,0|2,0,1]=4 1356 B12R1.78 COc1ccc(c(c1)O[13CH3])N=O 7a_200010658452_200025704644 [0,0,1,0,0,0|2,0,1]=4 1357 B12R1.114 C=C=Cc1ccc(cc1Br)OC 271570a_100015277604_100012349170 [0,0,1,0,0,0|2,0,1]=4 1358 B12R1.114 C=C=Cc1ccc(cc1C)OC 271570a_100015277604_100000759875 [0,0,1,0,0,0|1,0,2]=4 1359 B12R1.114 C=C=Cc1ccc(cc1F)OC 271570a_100015277604_100000753793 [0,0,1,0,0,0|2,0,1]=4 1360 B12R1.114 C=C=Cc1ccc(cc1N)OC 271570a_100015277604_100000748021 [0,0,1,0,0,0|2,0,1]=4 1361 B12R1.114 C=C=Cc1ccc(cc1O)OC 271570a_100015277604_100000719091 [0,0,1,0,0,0|2,0,1]=4 1362 B12R1.114 CC=Cc1ccc(cc1Br)OC 271570a_100016259895_100012349170 [0,0,1,0,0,0|2,0,1]=4 1363 B12R1.114 CC=Cc1ccc(cc1C)OC 271570a_100016259895_100000759875 [0,0,1,0,0,0|1,0,2]=4 1364 B12R1.114 CC=Cc1ccc(cc1F)OC 271570a_100016259895_100000753793 [0,0,1,0,0,0|2,0,1]=4 1365 B12R1.114 CC=Cc1ccc(cc1N)OC 271570a_100016259895_100000748021 [0,0,1,0,0,0|2,0,1]=4 1366 B12R1.114 CC=Cc1ccc(cc1O)OC 271570a_100016259895_100000719091 [0,0,1,0,0,0|2,0,1]=4 1367 B12R1.121 C=Cc1ccccc1OCOC 271570a_100011290941_200000230759 [0,0,1,0,0,0|2,0,1]=4 1368 B12R1.121 C=Cc1ccccc1SCOC 62a_100000766300_100011218376 [0,0,1,0,0,0|2,0,1]=4 1369 B12R1.121 C=Cc1ccccc1SCOC 62a_100011218376_100000766300 [0,0,1,0,0,0|2,0,1]=4 1370 B12R1.121 C=Cc1ncccc1OCOC 271570a_100011290941_100011935308 [0,0,1,0,0,0|1,0,1]=3 1371 B12R1.121 COCSc1cccnc1C=O 62a_100000766300_100011934733 [0,0,1,0,0,0|2,0,1]=4 1372 B12R1.121 COCSc1cccnc1C=O 62a_100011934733_100000766300 [0,0,1,0,0,0|2,0,1]=4 1373 B12R1.267 CCCC=Cc1ncccc1Br 271570a_100016258520_100000696092 [0,0,1,0,0,0|2,0,1]=4 1374 B12R1.267 CCCC=Cc1ncccc1C 271570a_100016258520_100000751373 [0,0,1,0,0,0|1,0,2]=4 1375 B12R1.267 CCCC=Cc1ncccc1Cl 271570a_100016258520_100011356963 [0,0,1,0,0,0|2,0,1]=4 1376 B12R1.267 CCCC=Cc1ncccc1F 271570a_100016258520_100000685392 [0,0,1,0,0,0|2,0,1]=4 1377 B12R1.267 CCCC=Cc1ncccc1N 271570a_100016258520_100000688686 [0,0,1,0,0,0|2,0,1]=4 1378 B12R1.267 CCCC=Cc1ncccc1O 271570a_100016258520_100000034122 [0,0,1,0,0,0|2,0,1]=4 1379 B12R1.267 CCOC=Cc1ncccc1Br 271570a_100016256518_100000696092 [0,0,1,0,0,0|3,0,0]=4 1380 B12R1.267 CCOC=Cc1ncccc1C 271570a_100016256518_100000751373 [0,0,1,0,0,0|2,0,1]=4 1381 B12R1.267 CCOC=Cc1ncccc1Cl 271570a_100016256518_100011356963 [0,0,1,0,0,0|3,0,0]=4 1382 B12R1.267 CCOC=Cc1ncccc1F 271570a_100016256518_100000685392 [0,0,1,0,0,0|3,0,0]=4 1383 B12R1.267 CCOC=Cc1ncccc1N 271570a_100016256518_100000688686 [0,0,1,0,0,0|3,0,0]=4 1384 B12R1.267 CCOC=Cc1ncccc1O 271570a_100016256518_100000034122 [0,0,1,0,0,0|3,0,0]=4 1385 B12R1.267 COCC=Cc1ccccc1Br 271570a_100016286323_100000695589 [0,0,1,0,0,0|2,0,1]=4 1386 B12R1.267 COCC=Cc1ccccc1C 271570a_100016286323_100000210755 [0,0,1,0,0,0|1,0,2]=4 1387 B12R1.267 COCC=Cc1ccccc1Cl 271570a_100016286323_100000764095 [0,0,1,0,0,0|2,0,1]=4 1388 B12R1.267 COCC=Cc1ccccc1F 271570a_100016286323_100011215700 [0,0,1,0,0,0|2,0,1]=4 1389 B12R1.267 COCC=Cc1ccccc1N 271570a_100016286323_100000210017 [0,0,1,0,0,0|2,0,1]=4 1390 B12R1.267 COCC=Cc1ccccc1O 271570a_100016286323_100000739446 [0,0,1,0,0,0|2,0,1]=4 1391 B12R1.267 COCC=Cc1ncc[nH]c1=O 271570a_100016286323_100000763361 [0,0,1,0,0,0|2,0,1]=4 1392 B12R1.267 COCC=Cc1ncccc1Br 271570a_100016286323_100000696092 [0,0,1,0,0,0|1,0,1]=3 1393 B12R1.267 COCC=Cc1ncccc1C 271570a_100016286323_100000751373 [0,0,1,0,0,0|0,0,2]=3 1394 B12R1.267 COCC=Cc1ncccc1Cl 271570a_100016286323_100011356963 [0,0,1,0,0,0|1,0,1]=3 1395 B12R1.267 COCC=Cc1ncccc1F 271570a_100016286323_100000685392 [0,0,1,0,0,0|1,0,1]=3 1396 B12R1.267 COCC=Cc1ncccc1N 271570a_100016286323_100000688686 [0,0,1,0,0,0|1,0,1]=3 1397 B12R1.267 COCC=Cc1ncccc1O 271570a_100016286323_100000034122 [0,0,1,0,0,0|1,0,1]=3 1398 B12R1.267 COCC=Cc1nccnc1C 271570a_100016286323_100011999405 [0,0,1,0,0,0|1,0,2]=4 1399 B12R1.267 COCC=Cc1nccnc1F 271570a_100016286323_200010125657 [0,0,1,0,0,0|2,0,1]=4 1400 B12R1.267 COCC=Cc1nccnc1N 271570a_100016286323_100000747729 [0,0,1,0,0,0|2,0,1]=4 1401 B12R1.267 COCC=Cc1ncncc1C 271570a_100016286323_100011998708 [0,0,1,0,0,0|1,0,2]=4 1402 B12R1.267 COCC=Cc1ncncc1F 271570a_100016286323_100000069762 [0,0,1,0,0,0|2,0,1]=4 1403 B12R1.267 COCC=Cc1ncncc1N 271570a_100016286323_100000709731 [0,0,1,0,0,0|2,0,1]=4 1404 B12R1.267 COCC=Cc1nnccc1C 271570a_100016286323_100000089043 [0,0,1,0,0,0|1,0,2]=4 1405 B12R1.270 C=C=Cc1cc(ccc1Br)OC 271570a_100015277604_100009992028 [0,0,1,0,0,0|1,0,1]=3 1406 B12R1.270 C=C=Cc1cc(ccc1C)NC 271570a_100015277604_100000707694 [0,0,1,0,0,0|2,0,1]=4 1407 B12R1.270 C=C=Cc1cc(ccc1C)OC 271570a_100015277604_100012349166 [0,0,1,0,0,0|1,0,1]=3 1408 B12R1.270 C=C=Cc1cc(ccc1Cl)OC 271570a_100015277604_100011356938 [0,0,1,0,0,0|1,0,1]=3 1409 B12R1.270 C=C=Cc1cc(ccc1F)CC 271570a_100015277604_200010244628 [0,0,1,0,0,0|2,0,1]=4 1410 B12R1.270 C=C=Cc1cc(ccc1F)OC 271570a_100015277604_100000699733 [0,0,1,0,0,0|1,0,1]=3 1411 B12R1.270 C=C=Cc1cc(ccc1F)SC 271570a_100015277604_200010708804 [0,0,1,0,0,0|1,1,1]=4 1412 B12R1.270 C=C=Cc1cc(ccc1N)CC 271570a_100015277604_100012339725 [0,0,1,0,0,0|1,0,2]=4 1413 B12R1.270 C=C=Cc1cc(ccc1N)OC 271570a_100015277604_100015195136 [0,0,1,0,0,0|0,0,2]=3 1414 B12R1.270 C=C=Cc1cc(ccc1O)CC 271570a_100015277604_100012339963 [0,0,1,0,0,0|2,0,1]=4 1415 B12R1.270 C=C=Cc1cc(ccc1O)OC 271570a_100015277604_100000685887 [0,0,1,0,0,0|1,0,1]=3 1416 B12R1.270 C=C=Cc1cc(cnc1F)OC 271570a_100015277604_100010068374 [0,0,1,0,0,0|2,0,1]=4 1417 B12R1.270 C=C=Cc1cc(ncc1C)OC 271570a_100015277604_100010068546 [0,0,1,0,0,0|2,0,1]=4 1418 B12R1.270 C=C=Cc1cc(ncc1Cl)OC 271570a_100015277604_100010068019 [0,0,1,0,0,0|2,0,1]=4 1419 B12R1.270 C=C=Cc1cc(ncc1F)OC 271570a_100015277604_100010160775 [0,0,1,0,0,0|2,0,1]=4 1420 B12R1.270 C=C=Cc1nc(ccc1N)OC 271570a_100015277604_100000069805 [0,0,1,0,0,0|1,0,2]=4 1421 B12R1.270 CC=Cc1cc(ccc1Br)OC 271570a_100016259895_100009992028 [0,0,1,0,0,0|1,0,1]=3 1422 B12R1.270 CC=Cc1cc(ccc1C)NC 271570a_100016259895_100000707694 [0,0,1,0,0,0|2,0,1]=4 1423 B12R1.270 CC=Cc1cc(ccc1C)OC 271570a_100016259895_100012349166 [0,0,1,0,0,0|1,0,1]=3 1424 B12R1.270 CC=Cc1cc(ccc1Cl)OC 271570a_100016259895_100011356938 [0,0,1,0,0,0|1,0,1]=3 1425 B12R1.270 CC=Cc1cc(ccc1F)CC 271570a_100016259895_200010244628 [0,0,1,0,0,0|2,0,1]=4 1426 B12R1.270 CC=Cc1cc(ccc1F)OC 271570a_100016259895_100000699733 [0,0,1,0,0,0|1,0,1]=3 1427 B12R1.270 CC=Cc1cc(ccc1F)SC 271570a_100016259895_200010708804 [0,0,1,0,0,0|1,1,1]=4 1428 B12R1.270 CC=Cc1cc(ccc1N)CC 271570a_100016259895_100012339725 [0,0,1,0,0,0|1,0,2]=4 1429 B12R1.270 CC=Cc1cc(ccc1N)OC 271570a_100016259895_100015195136 [0,0,1,0,0,0|0,0,2]=3 1430 B12R1.270 CC=Cc1cc(ccc1O)CC 271570a_100016259895_100012339963 [0,0,1,0,0,0|2,0,1]=4 1431 B12R1.270 CC=Cc1cc(ccc1O)OC 271570a_100016259895_100000685887 [0,0,1,0,0,0|1,0,1]=3 1432 B12R1.270 CC=Cc1cc(cnc1F)OC 271570a_100016259895_100010068374 [0,0,1,0,0,0|2,0,1]=4 1433 B12R1.270 CC=Cc1cc(ncc1C)OC 271570a_100016259895_100010068546 [0,0,1,0,0,0|2,0,1]=4 1434 B12R1.270 CC=Cc1cc(ncc1Cl)OC 271570a_100016259895_100010068019 [0,0,1,0,0,0|2,0,1]=4 1435 B12R1.270 CC=Cc1cc(ncc1F)OC 271570a_100016259895_100010160775 [0,0,1,0,0,0|2,0,1]=4 1436 B12R1.270 CC=Cc1nc(ccc1N)OC 271570a_100016259895_100000069805 [0,0,1,0,0,0|1,0,2]=4 1437 B12R1.371 COC(=O)Cc1cccnc1O 271570a_203496583355_100010293180 [0,0,1,0,0,0|2,0,1]=4 1438 B12R1.382 C=CCNc1cccc(c1)OC 34a_100000210024_100015514636 [0,0,1,0,0,0|2,0,1]=4 1439 B12R1.382 C=CCOc1cccc(c1)OC 34a_100000211255_100015514636 [0,0,1,0,0,0|2,0,1]=4 1440 B12R1.382 C=CCOc1cccc(c1)OC 7a_100000211255_100015514636 [0,0,1,0,0,0|2,0,1]=4 1441 B12R1.382 C=CCSc1cccc(c1)OC 62a_100000210623_100000170001 [0,0,1,0,0,0|2,0,1]=4 1442 B12R1.382 CC=NNc1cccc(c1)OC 4a_100000722927_200000210099 [0,0,1,0,0,0|3,0,0]=4 1443 B12R1.382 COc1cccc(c1)NCC=O 34a_100000210024_200009817547 [0,0,1,0,0,0|2,0,1]=4 1444 B12R1.382 COc1cccc(c1)OCC=O 34a_100000211255_200009817547 [0,0,1,0,0,0|2,0,1]=4 1445 B12R1.382 COc1cccc(c1)OCC=O 7a_100000211255_200015260668 [0,0,1,0,0,0|2,0,1]=4 1446 B12R1.382 COc1cccc(c1)SCC=O 62a_200015260668_100000170001 [0,0,1,0,0,0|2,0,1]=4 1447 B12R2.1 C=Cc1c[nH]c2c1cccn2 271570a_100011290941_100011934613 [0,0,0,0,1,0|2,0,1]=4 1448 B12R2.1 C=Cc1csc2c1cccn2 271570a_100011290941_100009830249 [0,0,0,0,1,0|2,0,1]=4 1449 B12R2.1 CNc1csc2c1nccn2 27a_100102657272_100010174841 [0,0,0,0,1,0|3,0,0]=4 1450 B12R2.1 CNc1n[nH]c2c1cccn2 27a_100102657272_100009818534 [0,0,0,0,1,0|3,0,0]=4 1451 B12R2.1 COc1csc2c1cccc2 34a_100000077758_200000210301 [0,0,0,0,1,0|2,0,0]=3 1452 B12R2.1 COc1csc2c1cccc2 7a_100000077758_200000210301 [0,0,0,0,1,0|2,0,0]=3 1453 B12R2.1 CSc1c[nH]c2c1cccn2 62a_200000210301_100011934613 [0,0,0,0,1,0|1,1,0]=3 1454 B12R2.1 CSc1c[nH]c2c1cncn2 62a_100009817560_200000210301 [0,0,0,0,1,0|2,1,0]=4 1455 B12R2.1 CSc1c[nH]c2c1cncn2 62a_200000210301_100000072862 [0,0,0,0,1,0|2,1,0]=4 1456 B12R2.1 CSc1c[nH]c2c1nccn2 62a_200000210301_100009819587 [0,0,0,0,1,0|2,1,0]=4 1457 B12R2.1 CSc1cnc2n1cccn2 62a_100011934454_200000210301 [0,0,0,0,1,0|2,1,0]=4 1458 B12R2.1 CSc1cnc2n1cccn2 62a_200000210301_100011934454 [0,0,0,0,1,0|2,1,0]=4 1459 B12R2.1 CSc1coc2c1cccc2 62a_200000210301_100009812202 [0,0,0,0,1,0|2,1,0]=4 1460 B12R2.1 CSc1csc2c1cccc2 62a_200000210301_100009813928 [0,0,0,0,1,0|2,1,0]=4 1461 B12R2.1 CSc1csc2c1cccn2 62a_100009830249_200000210301 [0,0,0,0,1,0|1,1,0]=3 1462 B12R2.1 CSc1csc2c1cccn2 62a_200000210301_100009830249 [0,0,0,0,1,0|1,1,0]=3 1463 B12R2.1 CSc1csc2c1nccn2 62a_200000210301_100010174841 [0,0,0,0,1,0|2,1,0]=4 1464 B12R2.1 CSc1n[nH]c2c1cccn2 62a_200000210301_100009888962 [0,0,0,0,1,0|2,1,0]=4 1465 B12R2.1 [13CH3]Oc1csc2c1cccc2 34a_100000077758_200025704644 [0,0,0,0,1,0|2,0,0]=3 1466 B12R2.1 [13CH3]Oc1csc2c1cccc2 7a_100000077758_200025704644 [0,0,0,0,1,0|2,0,0]=3 1467 B12R2.1 [13CH3]Sc1c[nH]c2c1cccn2 62a_200025704644_100011934613 [0,0,0,0,1,0|1,1,0]=3 1468 B12R2.1 [13CH3]Sc1c[nH]c2c1cncn2 62a_100009817560_200025704644 [0,0,0,0,1,0|2,1,0]=4 1469 B12R2.1 [13CH3]Sc1c[nH]c2c1cncn2 62a_200025704644_100000072862 [0,0,0,0,1,0|2,1,0]=4 1470 B12R2.1 [13CH3]Sc1c[nH]c2c1nccn2 62a_200025704644_100009819587 [0,0,0,0,1,0|2,1,0]=4 1471 B12R2.1 [13CH3]Sc1cnc2n1cccn2 62a_100011934454_200025704644 [0,0,0,0,1,0|2,1,0]=4 1472 B12R2.1 [13CH3]Sc1cnc2n1cccn2 62a_200025704644_100011934454 [0,0,0,0,1,0|2,1,0]=4 1473 B12R2.1 [13CH3]Sc1coc2c1cccc2 62a_200025704644_100009812202 [0,0,0,0,1,0|2,1,0]=4 1474 B12R2.1 [13CH3]Sc1csc2c1cccc2 62a_200025704644_100009813928 [0,0,0,0,1,0|2,1,0]=4 1475 B12R2.1 [13CH3]Sc1csc2c1cccn2 62a_100009830249_200025704644 [0,0,0,0,1,0|1,1,0]=3 1476 B12R2.1 [13CH3]Sc1csc2c1cccn2 62a_200025704644_100009830249 [0,0,0,0,1,0|1,1,0]=3 1477 B12R2.1 [13CH3]Sc1csc2c1nccn2 62a_200025704644_100010174841 [0,0,0,0,1,0|2,1,0]=4 1478 B12R2.1 [13CH3]Sc1n[nH]c2c1cccn2 62a_200025704644_100009888962 [0,0,0,0,1,0|2,1,0]=4 1479 B12R2.32 C=Cc1cc2cccnc2[nH]1 271570a_100011290941_100010079843 [0,0,0,0,1,0|2,0,1]=4 1480 B12R2.32 CNc1nc2cccnc2s1 27a_100102657272_100010188088 [0,0,0,0,1,0|3,0,0]=4 1481 B12R2.32 CSc1cc2ccccc2[nH]1 62a_200000210301_100010232065 [0,0,0,0,1,0|2,1,0]=4 1482 B12R2.32 CSc1cc2ccccc2o1 62a_200000210301_100010159458 [0,0,0,0,1,0|2,1,0]=4 1483 B12R2.32 CSc1cc2ccccc2s1 62a_200000210301_100009816949 [0,0,0,0,1,0|2,1,0]=4 1484 B12R2.32 CSc1cc2cccnc2[nH]1 62a_200000210301_100010079843 [0,0,0,0,1,0|1,1,0]=3 1485 B12R2.32 CSc1cn2ncccc2n1 62a_200000210301_200010296001 [0,0,0,0,1,0|2,1,0]=4 1486 B12R2.32 CSc1cn2ncccc2n1 62a_200010296001_200000210301 [0,0,0,0,1,0|2,1,0]=4 1487 B12R2.32 CSc1nc2cccnc2s1 62a_100010188088_200000210301 [0,0,0,0,1,0|2,1,0]=4 1488 B12R2.32 CSc1nc2cccnc2s1 62a_200000210301_100010188088 [0,0,0,0,1,0|2,1,0]=4 1489 B12R2.32 [13CH3]Sc1cc2ccccc2[nH]1 62a_200025704644_100010232065 [0,0,0,0,1,0|2,1,0]=4 1490 B12R2.32 [13CH3]Sc1cc2ccccc2o1 62a_200025704644_100010159458 [0,0,0,0,1,0|2,1,0]=4 1491 B12R2.32 [13CH3]Sc1cc2ccccc2s1 62a_200025704644_100009816949 [0,0,0,0,1,0|2,1,0]=4 1492 B12R2.32 [13CH3]Sc1cc2cccnc2[nH]1 62a_200025704644_100010079843 [0,0,0,0,1,0|1,1,0]=3 1493 B12R2.32 [13CH3]Sc1cn2ncccc2n1 62a_200010296001_200025704644 [0,0,0,0,1,0|2,1,0]=4 1494 B12R2.32 [13CH3]Sc1cn2ncccc2n1 62a_200025704644_200010296001 [0,0,0,0,1,0|2,1,0]=4 1495 B12R2.32 [13CH3]Sc1nc2cccnc2s1 62a_100010188088_200025704644 [0,0,0,0,1,0|2,1,0]=4 1496 B12R2.32 [13CH3]Sc1nc2cccnc2s1 62a_200025704644_100010188088 [0,0,0,0,1,0|2,1,0]=4 1497 B12R2.44 C=Cc1ccc2[nH]ccc2c1 271570a_100011290941_100000211741 [0,0,0,0,1,0|1,0,2]=4 1498 B12R2.44 C=Cc1ccc2c(c1)C=CC2 271570a_100011290941_100009814306 [0,0,0,0,1,0|1,0,2]=4 1499 B12R2.44 C=Cc1ccc2c(c1)CC=C2 271570a_100011290941_200009818231 [0,0,0,0,1,0|1,0,2]=4 1500 B12R2.44 C=Cc1ccc2cc[nH]c2c1 271570a_100011290941_100000743809 [0,0,0,0,1,0|2,0,1]=4 1501 B12R2.44 C=Cc1ccc2ccoc2c1 271570a_100011290941_100000759542 [0,0,0,0,1,0|2,0,1]=4 1502 B12R2.44 C=Cc1ccc2ccsc2c1 271570a_100011290941_100009888917 [0,0,0,0,1,0|2,0,1]=4 1503 B12R2.44 C=Cc1ccc2cscc2c1 271570a_100011290941_200010760811 [0,0,0,0,1,0|2,0,1]=4 1504 B12R2.44 C=Cc1ccc2nccn2c1 271570a_100011290941_100000746083 [0,0,0,0,1,0|2,0,1]=4 1505 B12R2.44 C=Cc1ccc2ncoc2c1 271570a_100011290941_100009817590 [0,0,0,0,1,0|2,0,1]=4 1506 B12R2.44 C=Cc1ccc2ncsc2c1 271570a_100011290941_100009816678 [0,0,0,0,1,0|2,0,1]=4 1507 B12R2.44 C=Cc1ccc2occc2c1 271570a_100011290941_100012343831 [0,0,0,0,1,0|2,0,1]=4 1508 B12R2.44 C=Cc1ccc2sccc2c1 271570a_100011290941_100009814439 [0,0,0,0,1,0|2,0,1]=4 1509 B12R2.44 C=Cc1ccn2nccc2c1 271570a_100011290941_100000763084 [0,0,0,0,1,0|2,0,1]=4 1510 B12R2.44 CNc1ccc2ccoc2c1 34a_100000102395_200000210301 [0,0,0,0,1,0|2,0,0]=3 1511 B12R2.44 CNc1ccc2cnoc2c1 34a_100000084182_200000210301 [0,0,0,0,1,0|3,0,0]=4 1512 B12R2.44 CNc1ccc2nccn2n1 27a_100102657272_100000058501 [0,0,0,0,1,0|3,0,0]=4 1513 B12R2.44 CNc1ccc2ncoc2c1 34a_100011248239_200000210301 [0,0,0,0,1,0|2,0,0]=3 1514 B12R2.44 CNc1ccc2ncsc2c1 34a_100011215093_200000210301 [0,0,0,0,1,0|2,0,0]=3 1515 B12R2.44 CNc1ccc2ncsc2n1 27a_100102657272_100010381354 [0,0,0,0,1,0|3,0,0]=4 1516 B12R2.44 CNc1ccc2occc2c1 34a_106430523501_200000210301 [0,0,0,0,1,0|2,0,0]=3 1517 B12R2.44 CNc1ccc2ocnc2c1 34a_100011219863_200000210301 [0,0,0,0,1,0|3,0,0]=4 1518 B12R2.44 CNc1ccc2oncc2c1 34a_100000037595_200000210301 [0,0,0,0,1,0|3,0,0]=4 1519 B12R2.44 CNc1ccc2sccc2c1 34a_100000681076_200000210301 [0,0,0,0,1,0|2,0,0]=3 1520 B12R2.44 CNc1ccc2sccc2n1 27a_100102657272_100012000956 [0,0,0,0,1,0|3,0,0]=4 1521 B12R2.44 CNc1ccc2scnc2c1 34a_100000047738_200000210301 [0,0,0,0,1,0|3,0,0]=4 1522 B12R2.44 CNc1ccc2sncc2c1 34a_100000077742_200000210301 [0,0,0,0,1,0|3,0,0]=4 1523 B12R2.44 CNc1ccn2nccc2n1 27a_100102657272_100000051569 [0,0,0,0,1,0|3,0,0]=4 1524 B12R2.44 CNc1ccn2ncnc2c1 27a_100102657272_100009819723 [0,0,0,0,1,0|3,0,0]=4 1525 B12R2.44 COc1ccc2[nH]ccc2c1 34a_100000756620_200000210301 [0,0,0,0,1,0|0,0,1]=2 1526 B12R2.44 COc1ccc2c(c1)CCC2 34a_100000209987_200000210301 [0,0,0,0,1,0|0,0,3]=4 1527 B12R2.44 COc1ccc2c(c1)CCC2 7a_100000209987_200000210301 [0,0,0,0,1,0|0,0,3]=4 1528 B12R2.44 COc1ccc2c(c1)CCN2 34a_100020636429_200000210301 [0,0,0,0,1,0|0,0,3]=4 1529 B12R2.44 COc1ccc2c(c1)CNC2 34a_100015195982_200000210301 [0,0,0,0,1,0|1,0,2]=4 1530 B12R2.44 COc1ccc2c(c1)NCC2 34a_100020636427_200000210301 [0,0,0,0,1,0|1,0,2]=4 1531 B12R2.44 COc1ccc2c(c1)OCO2 34a_100000210298_200000210301 [0,0,0,0,1,0|2,0,1]=4 1532 B12R2.44 COc1ccc2cc[nH]c2c1 34a_100000036713_200000210301 [0,0,0,0,1,0|1,0,0]=2 1533 B12R2.44 COc1ccc2ccoc2c1 34a_100000089557_200000210301 [0,0,0,0,1,0|1,0,0]=2 1534 B12R2.44 COc1ccc2ccoc2c1 7a_100000089557_200000210301 [0,0,0,0,1,0|1,0,0]=2 1535 B12R2.44 COc1ccc2cnoc2c1 34a_100000098417_200000210301 [0,0,0,0,1,0|2,0,0]=3 1536 B12R2.44 COc1ccc2cnoc2c1 7a_100000098417_200000210301 [0,0,0,0,1,0|2,0,0]=3 1537 B12R2.44 COc1ccc2ncsc2c1 34a_100011995850_200000210301 [0,0,0,0,1,0|1,0,0]=2 1538 B12R2.44 COc1ccc2ncsc2c1 7a_100011995850_200000210301 [0,0,0,0,1,0|1,0,0]=2 1539 B12R2.44 COc1ccc2nonc2c1 34a_100000036933_200000210301 [0,0,0,0,1,0|2,0,0]=3 1540 B12R2.44 COc1ccc2occc2c1 34a_100000070125_200000210301 [0,0,0,0,1,0|1,0,0]=2 1541 B12R2.44 COc1ccc2occc2c1 7a_100000070125_200000210301 [0,0,0,0,1,0|1,0,0]=2 1542 B12R2.44 COc1ccc2sccc2c1 34a_100012180905_200000210301 [0,0,0,0,1,0|1,0,0]=2 1543 B12R2.44 COc1ccc2sccc2c1 7a_100012180905_200000210301 [0,0,0,0,1,0|1,0,0]=2 1544 B12R2.44 COc1ccc2scnc2c1 34a_200009850626_200000210301 [0,0,0,0,1,0|2,0,0]=3 1545 B12R2.44 COc1ccc2scnc2c1 7a_200009850626_200000210301 [0,0,0,0,1,0|2,0,0]=3 1546 B12R2.44 COc1ccn2ccnc2c1 34a_100009863278_200000210301 [0,0,0,0,1,0|2,0,0]=3 1547 B12R2.44 COc1cnc2[nH]ccc2c1 34a_100000087691_200000210301 [0,0,0,0,1,0|1,0,1]=3 1548 B12R2.44 CSc1cc2[nH]ccc2cn1 62a_200000210301_100000089685 [0,0,0,0,1,0|2,1,0]=4 1549 B12R2.44 CSc1cc2cc[nH]c2cn1 62a_200000210301_100009864809 [0,0,0,0,1,0|1,1,1]=4 1550 B12R2.44 CSc1cc2sccc2cn1 62a_200000210301_200016184645 [0,0,0,0,1,0|2,1,0]=4 1551 B12R2.44 CSc1ccc2[nH]ccc2c1 62a_200000210301_100000035808 [0,0,0,0,1,0|0,1,1]=3 1552 B12R2.44 CSc1ccc2[nH]ccc2n1 62a_200000210301_100000087148 [0,0,0,0,1,0|1,1,1]=4 1553 B12R2.44 CSc1ccc2[nH]cnc2c1 62a_200000210301_100011265325 [0,0,0,0,1,0|1,1,1]=4 1554 B12R2.44 CSc1ccc2[nH]ncc2c1 62a_200000210301_100000049815 [0,0,0,0,1,0|1,1,1]=4 1555 B12R2.44 CSc1ccc2c(c1)C=CC2 62a_100009814306_200000210301 [0,0,0,0,1,0|0,1,1]=3 1556 B12R2.44 CSc1ccc2c(c1)C=CC2 62a_200000210301_100009814306 [0,0,0,0,1,0|0,1,1]=3 1557 B12R2.44 CSc1ccc2c(c1)CC=C2 62a_200000210301_200009818231 [0,0,0,0,1,0|0,1,1]=3 1558 B12R2.44 CSc1ccc2c(c1)CC=C2 62a_200009818231_200000210301 [0,0,0,0,1,0|0,1,1]=3 1559 B12R2.44 CSc1ccc2cc[nH]c2c1 62a_200000210301_100000743809 [0,0,0,0,1,0|1,1,0]=3 1560 B12R2.44 CSc1ccc2cc[nH]c2n1 62a_200000210301_100009814870 [0,0,0,0,1,0|2,1,0]=4 1561 B12R2.44 CSc1ccc2ccnn2c1 62a_200000210301_100009820231 [0,0,0,0,1,0|2,1,0]=4 1562 B12R2.44 CSc1ccc2ccoc2c1 62a_200000210301_100000759542 [0,0,0,0,1,0|1,1,0]=3 1563 B12R2.44 CSc1ccc2ccsc2c1 62a_200000210301_100009888917 [0,0,0,0,1,0|1,1,0]=3 1564 B12R2.44 CSc1ccc2cn[nH]c2c1 62a_200000210301_100000049514 [0,0,0,0,1,0|2,1,0]=4 1565 B12R2.44 CSc1ccc2cncn2c1 62a_200000210301_100009887162 [0,0,0,0,1,0|2,1,0]=4 1566 B12R2.44 CSc1ccc2cnoc2c1 62a_200000210301_100009817722 [0,0,0,0,1,0|2,1,0]=4 1567 B12R2.44 CSc1ccc2cscc2c1 62a_200000210301_200010760811 [0,0,0,0,1,0|1,1,0]=3 1568 B12R2.44 CSc1ccc2csnc2c1 62a_200000210301_100010170880 [0,0,0,0,1,0|2,1,0]=4 1569 B12R2.44 CSc1ccc2nc[nH]c2n1 62a_100009820032_200000210301 [0,0,0,0,1,0|2,1,0]=4 1570 B12R2.44 CSc1ccc2nc[nH]c2n1 62a_200000210301_100000077665 [0,0,0,0,1,0|2,1,0]=4 1571 B12R2.44 CSc1ccc2nccn2c1 62a_100000746083_200000210301 [0,0,0,0,1,0|1,1,0]=3 1572 B12R2.44 CSc1ccc2nccn2c1 62a_200000210301_100000746083 [0,0,0,0,1,0|1,1,0]=3 1573 B12R2.44 CSc1ccc2nccn2n1 62a_100009883166_200000210301 [0,0,0,0,1,0|2,1,0]=4 1574 B12R2.44 CSc1ccc2nccn2n1 62a_200000210301_100000058501 [0,0,0,0,1,0|2,1,0]=4 1575 B12R2.44 CSc1ccc2ncnn2c1 62a_100009816971_200000210301 [0,0,0,0,1,0|2,1,0]=4 1576 B12R2.44 CSc1ccc2ncnn2c1 62a_200000210301_100009816971 [0,0,0,0,1,0|2,1,0]=4 1577 B12R2.44 CSc1ccc2ncoc2c1 62a_200000210301_100009817590 [0,0,0,0,1,0|1,1,0]=3 1578 B12R2.44 CSc1ccc2ncsc2c1 62a_100009816678_200000210301 [0,0,0,0,1,0|1,1,0]=3 1579 B12R2.44 CSc1ccc2ncsc2c1 62a_200000210301_100009816678 [0,0,0,0,1,0|1,1,0]=3 1580 B12R2.44 CSc1ccc2ncsc2n1 62a_100010090457_200000210301 [0,0,0,0,1,0|2,1,0]=4 1581 B12R2.44 CSc1ccc2ncsc2n1 62a_200000210301_100010381354 [0,0,0,0,1,0|2,1,0]=4 1582 B12R2.44 CSc1ccc2nn[nH]c2c1 62a_200000210301_100009817464 [0,0,0,0,1,0|2,1,0]=4 1583 B12R2.44 CSc1ccc2nncn2c1 62a_100000764363_200000210301 [0,0,0,0,1,0|2,1,0]=4 1584 B12R2.44 CSc1ccc2nncn2c1 62a_200000210301_100000764363 [0,0,0,0,1,0|2,1,0]=4 1585 B12R2.44 CSc1ccc2nonc2c1 62a_100009814275_200000210301 [0,0,0,0,1,0|2,1,0]=4 1586 B12R2.44 CSc1ccc2nonc2c1 62a_200000210301_100009814275 [0,0,0,0,1,0|2,1,0]=4 1587 B12R2.44 CSc1ccc2nsnc2c1 62a_100009814274_200000210301 [0,0,0,0,1,0|2,1,0]=4 1588 B12R2.44 CSc1ccc2nsnc2c1 62a_200000210301_100009814274 [0,0,0,0,1,0|2,1,0]=4 1589 B12R2.44 CSc1ccc2occc2c1 62a_200000210301_100000691453 [0,0,0,0,1,0|1,1,0]=3 1590 B12R2.44 CSc1ccc2occc2n1 62a_200000210301_100009851292 [0,0,0,0,1,0|2,1,0]=4 1591 B12R2.44 CSc1ccc2ocnc2c1 62a_200000210301_100009816175 [0,0,0,0,1,0|2,1,0]=4 1592 B12R2.44 CSc1ccc2oncc2c1 62a_200000210301_100009817723 [0,0,0,0,1,0|2,1,0]=4 1593 B12R2.44 CSc1ccc2sccc2c1 62a_200000210301_100009814439 [0,0,0,0,1,0|1,1,0]=3 1594 B12R2.44 CSc1ccc2sccc2n1 62a_200000210301_100012000956 [0,0,0,0,1,0|2,1,0]=4 1595 B12R2.44 CSc1ccc2scnc2c1 62a_200000210301_100010005895 [0,0,0,0,1,0|2,1,0]=4 1596 B12R2.44 CSc1ccn2ccnc2c1 62a_200000210301_100000087792 [0,0,0,0,1,0|2,1,0]=4 1597 B12R2.44 CSc1ccn2nccc2c1 62a_200000210301_100000763084 [0,0,0,0,1,0|1,1,0]=3 1598 B12R2.44 CSc1ccn2nccc2n1 62a_100000691470_200000210301 [0,0,0,0,1,0|2,1,0]=4 1599 B12R2.44 CSc1ccn2nccc2n1 62a_200000210301_100000051569 [0,0,0,0,1,0|2,1,0]=4 1600 B12R2.44 CSc1ccn2ncnc2c1 62a_100009819723_200000210301 [0,0,0,0,1,0|2,1,0]=4 1601 B12R2.44 CSc1ccn2ncnc2c1 62a_200000210301_100009819723 [0,0,0,0,1,0|2,1,0]=4 1602 B12R2.44 CSc1ccn2nncc2c1 62a_100009820036_200000210301 [0,0,0,0,1,0|2,1,0]=4 1603 B12R2.44 CSc1ccn2nncc2c1 62a_200000210301_100009820036 [0,0,0,0,1,0|2,1,0]=4 1604 B12R2.44 CSc1cn2ccnc2cn1 62a_102495339940_200000210301 [0,0,0,0,1,0|2,1,0]=4 1605 B12R2.44 CSc1cn2ccnc2cn1 62a_200000210301_102495339940 [0,0,0,0,1,0|2,1,0]=4 1606 B12R2.44 CSc1cnc2[nH]ccc2c1 62a_200000210301_100000760471 [0,0,0,0,1,0|1,1,1]=4 1607 B12R2.44 CSc1cnc2cc[nH]c2c1 62a_200000210301_100009818992 [0,0,0,0,1,0|2,1,0]=4 1608 B12R2.44 CSc1cnc2nc[nH]c2c1 62a_200000210301_100000760087 [0,0,0,0,1,0|2,1,0]=4 1609 B12R2.44 CSc1cnc2nccn2c1 62a_100000764708_200000210301 [0,0,0,0,1,0|2,1,0]=4 1610 B12R2.44 CSc1cnc2nccn2c1 62a_200000210301_100000764708 [0,0,0,0,1,0|2,1,0]=4 1611 B12R2.44 CSc1cnc2ncoc2c1 62a_100000721906_200000210301 [0,0,0,0,1,0|2,1,0]=4 1612 B12R2.44 CSc1cnc2ncoc2c1 62a_200000210301_100000721906 [0,0,0,0,1,0|2,1,0]=4 1613 B12R2.44 CSc1cnc2nscc2c1 62a_200000210301_200020642285 [0,0,0,0,1,0|2,1,0]=4 1614 B12R2.44 CSc1cnc2nscc2c1 62a_200020642285_200000210301 [0,0,0,0,1,0|2,1,0]=4 1615 B12R2.44 CSc1cnc2sccc2c1 62a_200000210301_100010135160 [0,0,0,0,1,0|2,1,0]=4 1616 B12R2.44 [13CH3]Nc1ccc2ccoc2c1 34a_100000102395_200025704644 [0,0,0,0,1,0|2,0,0]=3 1617 B12R2.44 [13CH3]Nc1ccc2cnoc2c1 34a_100000084182_200025704644 [0,0,0,0,1,0|3,0,0]=4 1618 B12R2.44 [13CH3]Nc1ccc2ncoc2c1 34a_100011248239_200025704644 [0,0,0,0,1,0|2,0,0]=3 1619 B12R2.44 [13CH3]Nc1ccc2ncsc2c1 34a_100011215093_200025704644 [0,0,0,0,1,0|2,0,0]=3 1620 B12R2.44 [13CH3]Nc1ccc2occc2c1 34a_106430523501_200025704644 [0,0,0,0,1,0|2,0,0]=3 1621 B12R2.44 [13CH3]Nc1ccc2ocnc2c1 34a_100011219863_200025704644 [0,0,0,0,1,0|3,0,0]=4 1622 B12R2.44 [13CH3]Nc1ccc2oncc2c1 34a_100000037595_200025704644 [0,0,0,0,1,0|3,0,0]=4 1623 B12R2.44 [13CH3]Nc1ccc2sccc2c1 34a_100000681076_200025704644 [0,0,0,0,1,0|2,0,0]=3 1624 B12R2.44 [13CH3]Nc1ccc2scnc2c1 34a_100000047738_200025704644 [0,0,0,0,1,0|3,0,0]=4 1625 B12R2.44 [13CH3]Nc1ccc2sncc2c1 34a_100000077742_200025704644 [0,0,0,0,1,0|3,0,0]=4 1626 B12R2.44 [13CH3]Oc1ccc2[nH]ccc2c1 34a_100000756620_200025704644 [0,0,0,0,1,0|0,0,1]=2 1627 B12R2.44 [13CH3]Oc1ccc2c(c1)CCC2 34a_100000209987_200025704644 [0,0,0,0,1,0|0,0,3]=4 1628 B12R2.44 [13CH3]Oc1ccc2c(c1)CCC2 7a_100000209987_200025704644 [0,0,0,0,1,0|0,0,3]=4 1629 B12R2.44 [13CH3]Oc1ccc2c(c1)CCN2 34a_100020636429_200025704644 [0,0,0,0,1,0|0,0,3]=4 1630 B12R2.44 [13CH3]Oc1ccc2c(c1)CNC2 34a_100015195982_200025704644 [0,0,0,0,1,0|1,0,2]=4 1631 B12R2.44 [13CH3]Oc1ccc2c(c1)NCC2 34a_100020636427_200025704644 [0,0,0,0,1,0|1,0,2]=4 1632 B12R2.44 [13CH3]Oc1ccc2c(c1)OCO2 34a_100000210298_200025704644 [0,0,0,0,1,0|2,0,1]=4 1633 B12R2.44 [13CH3]Oc1ccc2cc[nH]c2c1 34a_100000036713_200025704644 [0,0,0,0,1,0|1,0,0]=2 1634 B12R2.44 [13CH3]Oc1ccc2ccoc2c1 34a_100000089557_200025704644 [0,0,0,0,1,0|1,0,0]=2 1635 B12R2.44 [13CH3]Oc1ccc2ccoc2c1 7a_100000089557_200025704644 [0,0,0,0,1,0|1,0,0]=2 1636 B12R2.44 [13CH3]Oc1ccc2cnoc2c1 34a_100000098417_200025704644 [0,0,0,0,1,0|2,0,0]=3 1637 B12R2.44 [13CH3]Oc1ccc2cnoc2c1 7a_100000098417_200025704644 [0,0,0,0,1,0|2,0,0]=3 1638 B12R2.44 [13CH3]Oc1ccc2ncsc2c1 34a_100011995850_200025704644 [0,0,0,0,1,0|1,0,0]=2 1639 B12R2.44 [13CH3]Oc1ccc2ncsc2c1 7a_100011995850_200025704644 [0,0,0,0,1,0|1,0,0]=2 1640 B12R2.44 [13CH3]Oc1ccc2nonc2c1 34a_100000036933_200025704644 [0,0,0,0,1,0|2,0,0]=3 1641 B12R2.44 [13CH3]Oc1ccc2occc2c1 34a_100000070125_200025704644 [0,0,0,0,1,0|1,0,0]=2 1642 B12R2.44 [13CH3]Oc1ccc2occc2c1 7a_100000070125_200025704644 [0,0,0,0,1,0|1,0,0]=2 1643 B12R2.44 [13CH3]Oc1ccc2sccc2c1 34a_100012180905_200025704644 [0,0,0,0,1,0|1,0,0]=2 1644 B12R2.44 [13CH3]Oc1ccc2sccc2c1 7a_100012180905_200025704644 [0,0,0,0,1,0|1,0,0]=2 1645 B12R2.44 [13CH3]Oc1ccc2scnc2c1 34a_200009850626_200025704644 [0,0,0,0,1,0|2,0,0]=3 1646 B12R2.44 [13CH3]Oc1ccc2scnc2c1 7a_200009850626_200025704644 [0,0,0,0,1,0|2,0,0]=3 1647 B12R2.44 [13CH3]Oc1ccn2ccnc2c1 34a_100009863278_200025704644 [0,0,0,0,1,0|2,0,0]=3 1648 B12R2.44 [13CH3]Oc1cnc2[nH]ccc2c1 34a_100000087691_200025704644 [0,0,0,0,1,0|1,0,1]=3 1649 B12R2.44 [13CH3]Sc1cc2[nH]ccc2cn1 62a_200025704644_100000089685 [0,0,0,0,1,0|2,1,0]=4 1650 B12R2.44 [13CH3]Sc1cc2cc[nH]c2cn1 62a_200025704644_100009864809 [0,0,0,0,1,0|1,1,1]=4 1651 B12R2.44 [13CH3]Sc1cc2sccc2cn1 62a_200025704644_200016184645 [0,0,0,0,1,0|2,1,0]=4 1652 B12R2.44 [13CH3]Sc1ccc2[nH]ccc2c1 62a_200025704644_100000035808 [0,0,0,0,1,0|0,1,1]=3 1653 B12R2.44 [13CH3]Sc1ccc2[nH]ccc2n1 62a_200025704644_100000087148 [0,0,0,0,1,0|1,1,1]=4 1654 B12R2.44 [13CH3]Sc1ccc2[nH]cnc2c1 62a_200025704644_100011265325 [0,0,0,0,1,0|1,1,1]=4 1655 B12R2.44 [13CH3]Sc1ccc2[nH]ncc2c1 62a_200025704644_100000049815 [0,0,0,0,1,0|1,1,1]=4 1656 B12R2.44 [13CH3]Sc1ccc2c(c1)C=CC2 62a_100009814306_200025704644 [0,0,0,0,1,0|0,1,1]=3 1657 B12R2.44 [13CH3]Sc1ccc2c(c1)C=CC2 62a_200025704644_100009814306 [0,0,0,0,1,0|0,1,1]=3 1658 B12R2.44 [13CH3]Sc1ccc2c(c1)CC=C2 62a_200009818231_200025704644 [0,0,0,0,1,0|0,1,1]=3 1659 B12R2.44 [13CH3]Sc1ccc2c(c1)CC=C2 62a_200025704644_200009818231 [0,0,0,0,1,0|0,1,1]=3 1660 B12R2.44 [13CH3]Sc1ccc2cc[nH]c2c1 62a_200025704644_100000743809 [0,0,0,0,1,0|1,1,0]=3 1661 B12R2.44 [13CH3]Sc1ccc2cc[nH]c2n1 62a_200025704644_100009814870 [0,0,0,0,1,0|2,1,0]=4 1662 B12R2.44 [13CH3]Sc1ccc2ccnn2c1 62a_200025704644_100009820231 [0,0,0,0,1,0|2,1,0]=4 1663 B12R2.44 [13CH3]Sc1ccc2ccoc2c1 62a_200025704644_100000759542 [0,0,0,0,1,0|1,1,0]=3 1664 B12R2.44 [13CH3]Sc1ccc2ccsc2c1 62a_200025704644_100009888917 [0,0,0,0,1,0|1,1,0]=3 1665 B12R2.44 [13CH3]Sc1ccc2cn[nH]c2c1 62a_200025704644_100000049514 [0,0,0,0,1,0|2,1,0]=4 1666 B12R2.44 [13CH3]Sc1ccc2cncn2c1 62a_200025704644_100009887162 [0,0,0,0,1,0|2,1,0]=4 1667 B12R2.44 [13CH3]Sc1ccc2cnoc2c1 62a_200025704644_100009817722 [0,0,0,0,1,0|2,1,0]=4 1668 B12R2.44 [13CH3]Sc1ccc2cscc2c1 62a_200025704644_200010760811 [0,0,0,0,1,0|1,1,0]=3 1669 B12R2.44 [13CH3]Sc1ccc2csnc2c1 62a_200025704644_100010170880 [0,0,0,0,1,0|2,1,0]=4 1670 B12R2.44 [13CH3]Sc1ccc2nc[nH]c2n1 62a_100009820032_200025704644 [0,0,0,0,1,0|2,1,0]=4 1671 B12R2.44 [13CH3]Sc1ccc2nc[nH]c2n1 62a_200025704644_100000077665 [0,0,0,0,1,0|2,1,0]=4 1672 B12R2.44 [13CH3]Sc1ccc2nccn2c1 62a_100000746083_200025704644 [0,0,0,0,1,0|1,1,0]=3 1673 B12R2.44 [13CH3]Sc1ccc2nccn2c1 62a_200025704644_100000746083 [0,0,0,0,1,0|1,1,0]=3 1674 B12R2.44 [13CH3]Sc1ccc2nccn2n1 62a_100009883166_200025704644 [0,0,0,0,1,0|2,1,0]=4 1675 B12R2.44 [13CH3]Sc1ccc2nccn2n1 62a_200025704644_100000058501 [0,0,0,0,1,0|2,1,0]=4 1676 B12R2.44 [13CH3]Sc1ccc2ncnn2c1 62a_100009816971_200025704644 [0,0,0,0,1,0|2,1,0]=4 1677 B12R2.44 [13CH3]Sc1ccc2ncnn2c1 62a_200025704644_100009816971 [0,0,0,0,1,0|2,1,0]=4 1678 B12R2.44 [13CH3]Sc1ccc2ncoc2c1 62a_200025704644_100009817590 [0,0,0,0,1,0|1,1,0]=3 1679 B12R2.44 [13CH3]Sc1ccc2ncsc2c1 62a_100009816678_200025704644 [0,0,0,0,1,0|1,1,0]=3 1680 B12R2.44 [13CH3]Sc1ccc2ncsc2c1 62a_200025704644_100009816678 [0,0,0,0,1,0|1,1,0]=3 1681 B12R2.44 [13CH3]Sc1ccc2ncsc2n1 62a_100010090457_200025704644 [0,0,0,0,1,0|2,1,0]=4 1682 B12R2.44 [13CH3]Sc1ccc2ncsc2n1 62a_200025704644_100010381354 [0,0,0,0,1,0|2,1,0]=4 1683 B12R2.44 [13CH3]Sc1ccc2nn[nH]c2c1 62a_200025704644_100009817464 [0,0,0,0,1,0|2,1,0]=4 1684 B12R2.44 [13CH3]Sc1ccc2nncn2c1 62a_100000764363_200025704644 [0,0,0,0,1,0|2,1,0]=4 1685 B12R2.44 [13CH3]Sc1ccc2nncn2c1 62a_200025704644_100000764363 [0,0,0,0,1,0|2,1,0]=4 1686 B12R2.44 [13CH3]Sc1ccc2nonc2c1 62a_100009814275_200025704644 [0,0,0,0,1,0|2,1,0]=4 1687 B12R2.44 [13CH3]Sc1ccc2nonc2c1 62a_200025704644_100009814275 [0,0,0,0,1,0|2,1,0]=4 1688 B12R2.44 [13CH3]Sc1ccc2nsnc2c1 62a_100009814274_200025704644 [0,0,0,0,1,0|2,1,0]=4 1689 B12R2.44 [13CH3]Sc1ccc2nsnc2c1 62a_200025704644_100009814274 [0,0,0,0,1,0|2,1,0]=4 1690 B12R2.44 [13CH3]Sc1ccc2occc2c1 62a_200025704644_100000691453 [0,0,0,0,1,0|1,1,0]=3 1691 B12R2.44 [13CH3]Sc1ccc2occc2n1 62a_200025704644_100009851292 [0,0,0,0,1,0|2,1,0]=4 1692 B12R2.44 [13CH3]Sc1ccc2ocnc2c1 62a_200025704644_100009816175 [0,0,0,0,1,0|2,1,0]=4 1693 B12R2.44 [13CH3]Sc1ccc2oncc2c1 62a_200025704644_100009817723 [0,0,0,0,1,0|2,1,0]=4 1694 B12R2.44 [13CH3]Sc1ccc2sccc2c1 62a_200025704644_100009814439 [0,0,0,0,1,0|1,1,0]=3 1695 B12R2.44 [13CH3]Sc1ccc2sccc2n1 62a_200025704644_100012000956 [0,0,0,0,1,0|2,1,0]=4 1696 B12R2.44 [13CH3]Sc1ccc2scnc2c1 62a_200025704644_100010005895 [0,0,0,0,1,0|2,1,0]=4 1697 B12R2.44 [13CH3]Sc1ccn2ccnc2c1 62a_200025704644_100000087792 [0,0,0,0,1,0|2,1,0]=4 1698 B12R2.44 [13CH3]Sc1ccn2nccc2c1 62a_200025704644_100000763084 [0,0,0,0,1,0|1,1,0]=3 1699 B12R2.44 [13CH3]Sc1ccn2nccc2n1 62a_100000691470_200025704644 [0,0,0,0,1,0|2,1,0]=4 1700 B12R2.44 [13CH3]Sc1ccn2nccc2n1 62a_200025704644_100000051569 [0,0,0,0,1,0|2,1,0]=4 1701 B12R2.44 [13CH3]Sc1ccn2ncnc2c1 62a_100009819723_200025704644 [0,0,0,0,1,0|2,1,0]=4 1702 B12R2.44 [13CH3]Sc1ccn2ncnc2c1 62a_200025704644_100009819723 [0,0,0,0,1,0|2,1,0]=4 1703 B12R2.44 [13CH3]Sc1ccn2nncc2c1 62a_100009820036_200025704644 [0,0,0,0,1,0|2,1,0]=4 1704 B12R2.44 [13CH3]Sc1ccn2nncc2c1 62a_200025704644_100009820036 [0,0,0,0,1,0|2,1,0]=4 1705 B12R2.44 [13CH3]Sc1cn2ccnc2cn1 62a_102495339940_200025704644 [0,0,0,0,1,0|2,1,0]=4 1706 B12R2.44 [13CH3]Sc1cn2ccnc2cn1 62a_200025704644_102495339940 [0,0,0,0,1,0|2,1,0]=4 1707 B12R2.44 [13CH3]Sc1cnc2[nH]ccc2c1 62a_200025704644_100000760471 [0,0,0,0,1,0|1,1,1]=4 1708 B12R2.44 [13CH3]Sc1cnc2cc[nH]c2c1 62a_200025704644_100009818992 [0,0,0,0,1,0|2,1,0]=4 1709 B12R2.44 [13CH3]Sc1cnc2nc[nH]c2c1 62a_200025704644_100000760087 [0,0,0,0,1,0|2,1,0]=4 1710 B12R2.44 [13CH3]Sc1cnc2nccn2c1 62a_100000764708_200025704644 [0,0,0,0,1,0|2,1,0]=4 1711 B12R2.44 [13CH3]Sc1cnc2nccn2c1 62a_200025704644_100000764708 [0,0,0,0,1,0|2,1,0]=4 1712 B12R2.44 [13CH3]Sc1cnc2ncoc2c1 62a_100000721906_200025704644 [0,0,0,0,1,0|2,1,0]=4 1713 B12R2.44 [13CH3]Sc1cnc2ncoc2c1 62a_200025704644_100000721906 [0,0,0,0,1,0|2,1,0]=4 1714 B12R2.44 [13CH3]Sc1cnc2nscc2c1 62a_200020642285_200025704644 [0,0,0,0,1,0|2,1,0]=4 1715 B12R2.44 [13CH3]Sc1cnc2nscc2c1 62a_200025704644_200020642285 [0,0,0,0,1,0|2,1,0]=4 1716 B12R2.44 [13CH3]Sc1cnc2sccc2c1 62a_200025704644_100010135160 [0,0,0,0,1,0|2,1,0]=4 1717 B11R1.28 CCCC=Cc1ccccn1 271570a_100016258520_100011216584 [1,0,1,0,0,0|1,0,1]=4 1718 B11R1.28 CCOC=Cc1ccccn1 271570a_100016256518_100011216584 [1,0,1,0,0,0|2,0,0]=4 1719 B11R1.28 COC/C=C/c1ccccc1 34a_100000210256_200000210301 [1,0,1,0,0,0|1,0,1]=4 1720 B11R1.28 COC/C=C/c1ccccc1 34a_100138415774_100016265936 [1,0,1,0,0,0|1,0,1]=4 1721 B11R1.28 COCC=Cc1ccccc1 271570a_100016286323_100000210277 [1,0,1,0,0,0|1,0,1]=4 1722 B11R1.28 COCC=Cc1ccccn1 271570a_100016286323_100011216584 [1,0,1,0,0,0|0,0,1]=3 1723 B11R1.28 COCC=Cc1cccnn1 271570a_100016286323_100016991348 [1,0,1,0,0,0|1,0,1]=4 1724 B11R1.28 COCC=Cc1ccncn1 271570a_100016286323_100000703185 [1,0,1,0,0,0|1,0,1]=4 1725 B11R1.28 COCC=Cc1cnccn1 271570a_100016286323_100000758340 [1,0,1,0,0,0|1,0,1]=4 1726 B11R1.28 COCC=Cc1ncccn1 271570a_100016286323_100000211032 [1,0,1,0,0,0|1,0,1]=4 1727 B11R1.28 [13CH3]OC/C=C/c1ccccc1 34a_100000210256_200025704644 [1,0,1,0,0,0|1,0,1]=4 1728 B11R1.91 C=C(C)CSc1ccccn1 62a_100000748629_100011216584 [1,0,1,0,0,0|1,0,1]=4 1729 B11R1.91 C=C(C)CSc1ccccn1 62a_100011216584_100000211660 [1,0,1,0,0,0|1,0,1]=4 1730 B11R1.91 CC(=O)C=Cc1ccccc1 1458a_100000210462_200000210301 [1,0,1,0,0,0|2,0,0]=4 1731 B11R1.91 CC(=O)C=Cc1ccccn1 1458a_100000740811_200000210301 [1,0,1,0,0,0|1,0,0]=3 1732 B11R1.91 CC(C)C=Cc1ccccn1 271570a_100016257149_100011216584 [1,0,1,0,0,0|0,0,2]=4 1733 B11R1.91 CC(O)C=Cc1ccccn1 271570a_200011019289_100011216584 [1,0,1,0,0,0|0,0,2]=4 1734 B11R1.91 [13CH3]C(=O)C=Cc1ccccc1 1458a_100000210462_200025704644 [1,0,1,0,0,0|2,0,0]=4 1735 B11R1.91 [13CH3]C(=O)C=Cc1ccccn1 1458a_100000740811_200025704644 [1,0,1,0,0,0|1,0,0]=3 1736 B11R1.1 C=CCNc1ccc(cc1)C 34a_100000124888_100015514636 [1,0,1,0,0,0|0,0,2]=4 1737 B11R1.1 C=CCNc1ccc(cc1)O 34a_100000185829_100015514636 [1,0,1,0,0,0|0,0,2]=4 1738 B11R1.1 C=CCOc1ccc(cc1)C 34a_100000210336_100015514636 [1,0,1,0,0,0|1,0,1]=4 1739 B11R1.1 C=CCOc1ccc(cc1)C 7a_100000210336_100015514636 [1,0,1,0,0,0|1,0,1]=4 1740 B11R1.1 C=CCOc1ccc(cc1)O 271570a_203496583355_100000172055 [1,0,1,0,0,0|1,0,1]=4 1741 B11R1.1 C=CCSc1ccc(cc1)C 62a_100000186775_100000210623 [1,0,1,0,0,0|1,0,1]=4 1742 B11R1.1 C=CCSc1ccc(cc1)C 62a_100000210623_100000186775 [1,0,1,0,0,0|1,0,1]=4 1743 B11R1.1 C=CCSc1ccc(cc1)O 62a_100000210623_100000185759 [1,0,1,0,0,0|1,0,1]=4 1744 B11R1.83 C/C=C/c1ccc(cc1)SC 62a_100016259036_200000210301 [1,0,1,0,0,0|0,1,1]=4 1745 B11R1.83 C/C=C/c1ccc(cc1)SC 62a_200000210301_100016259036 [1,0,1,0,0,0|0,1,1]=4 1746 B11R1.83 C/C=C/c1ccc(cc1)S[13CH3] 62a_100016259036_200025704644 [1,0,1,0,0,0|0,1,1]=4 1747 B11R1.83 C/C=C/c1ccc(cc1)S[13CH3] 62a_200025704644_100016259036 [1,0,1,0,0,0|0,1,1]=4 1748 B11R1.83 C=C=Cc1ccc(cc1)CC 271570a_100015277604_100011215824 [1,0,1,0,0,0|1,0,1]=4 1749 B11R1.83 C=C=Cc1ccc(cc1)NC 271570a_100015277604_100000219623 [1,0,1,0,0,0|1,0,1]=4 1750 B11R1.83 C=C=Cc1ccc(cc1)OC 271570a_100015277604_100000171711 [1,0,1,0,0,0|0,0,1]=3 1751 B11R1.83 C=C=Cc1ccc(cc1)SC 271570a_100015277604_100011263217 [1,0,1,0,0,0|0,1,1]=4 1752 B11R1.83 C=C=Cc1ccc(cn1)OC 271570a_100015277604_100000755202 [1,0,1,0,0,0|1,0,1]=4 1753 B11R1.83 C=C=Cc1ccc(nc1)OC 271570a_100015277604_100000047065 [1,0,1,0,0,0|1,0,1]=4 1754 B11R1.83 C=CCc1ccc(cc1)OC 34a_100000078792_200000210301 [1,0,1,0,0,0|0,0,1]=3 1755 B11R1.83 C=CCc1ccc(cc1)OC 7a_100000078792_200000210301 [1,0,1,0,0,0|0,0,1]=3 1756 B11R1.83 C=CCc1ccc(cc1)O[13CH3] 34a_100000078792_200025704644 [1,0,1,0,0,0|0,0,1]=3 1757 B11R1.83 C=CCc1ccc(cc1)O[13CH3] 7a_100000078792_200025704644 [1,0,1,0,0,0|0,0,1]=3 1758 B11R1.83 C=COc1ccc(cc1)SC 62a_100000704263_200000210301 [1,0,1,0,0,0|1,1,0]=4 1759 B11R1.83 C=COc1ccc(cc1)SC 62a_200000210301_100000704263 [1,0,1,0,0,0|1,1,0]=4 1760 B11R1.83 C=COc1ccc(cc1)S[13CH3] 62a_100000704263_200025704644 [1,0,1,0,0,0|1,1,0]=4 1761 B11R1.83 C=COc1ccc(cc1)S[13CH3] 62a_200025704644_100000704263 [1,0,1,0,0,0|1,1,0]=4 1762 B11R1.83 CC=Cc1ccc(cc1)CC 271570a_100016259895_100011215824 [1,0,1,0,0,0|1,0,1]=4 1763 B11R1.83 CC=Cc1ccc(cc1)NC 271570a_100016259895_100000219623 [1,0,1,0,0,0|1,0,1]=4 1764 B11R1.83 CC=Cc1ccc(cc1)OC 271570a_100016259895_100000171711 [1,0,1,0,0,0|0,0,1]=3 1765 B11R1.83 CC=Cc1ccc(cc1)SC 271570a_100016259895_100011263217 [1,0,1,0,0,0|0,1,1]=4 1766 B11R1.83 CC=Cc1ccc(cn1)OC 271570a_100016259895_100000755202 [1,0,1,0,0,0|1,0,1]=4 1767 B11R1.83 CC=Cc1ccc(nc1)OC 271570a_100016259895_100000047065 [1,0,1,0,0,0|1,0,1]=4 1768 B11R1.83 CSc1ccc(cc1)/C=C/Br 62a_200000210301_200016255901 [1,0,1,0,0,0|1,1,0]=4 1769 B11R1.83 CSc1ccc(cc1)/C=C/Br 62a_200016255901_200000210301 [1,0,1,0,0,0|1,1,0]=4 1770 B11R1.83 [13CH3]Sc1ccc(cc1)/C=C/Br 62a_200016255901_200025704644 [1,0,1,0,0,0|1,1,0]=4 1771 B11R1.83 [13CH3]Sc1ccc(cc1)/C=C/Br 62a_200025704644_200016255901 [1,0,1,0,0,0|1,1,0]=4 1772 B11R1.37 C=Cc1cc(ccc1C#N)C 271570a_100011290941_100000693804 [1,0,1,0,0,0|2,0,0]=4 1773 B11R1.37 C=Cc1cc(ccc1C#N)O 271570a_100011290941_100012184851 [1,0,1,0,0,0|2,0,0]=4 1774 B11R1.37 C=Cc1cc(ccc1C=O)C 271570a_100011290941_100000692596 [1,0,1,0,0,0|2,0,0]=4 1775 B11R1.37 C=Cc1cc(ccc1C=O)O 271570a_100011290941_100011236494 [1,0,1,0,0,0|2,0,0]=4 1776 B11R1.37 C=Cc1cc(ccc1CO)O 271570a_100011290941_100010146404 [1,0,1,0,0,0|2,0,0]=4 1777 B11R1.37 C=Cc1cc(ccc1NC)C 271570a_100011290941_100000221369 [1,0,1,0,0,0|0,0,2]=4 1778 B11R1.37 C=Cc1cc(ccc1NN)C 271570a_100011290941_100016996181 [1,0,1,0,0,0|1,0,1]=4 1779 B11R1.37 C=Cc1cc(ccc1OC)C 271570a_100011290941_100000186399 [1,0,1,0,0,0|1,0,1]=4 1780 B11R1.37 C=Cc1cc(ccc1OC)O 271570a_100011290941_100010084122 [1,0,1,0,0,0|1,0,1]=4 1781 B11R1.37 C=Cc1cc(ccc1SC)C 271570a_100011290941_200010201864 [1,0,1,0,0,0|1,0,1]=4 1782 B11R1.37 C=Cc1ccc(cc1C=O)C 271570a_100011290941_100011551863 [1,0,1,0,0,0|2,0,0]=4 1783 B11R1.37 C=Cc1ccc(cc1C=O)O 271570a_100011290941_100000690577 [1,0,1,0,0,0|2,0,0]=4 1784 B11R1.279 C=Cc1ccc(cc1Br)CC 271570a_100011290941_200009997437 [1,0,1,0,0,0|2,0,0]=4 1785 B11R1.279 C=Cc1ccc(cc1Br)OC 271570a_100011290941_100012349170 [1,0,1,0,0,0|1,0,0]=3 1786 B11R1.279 C=Cc1ccc(cc1C)NC 271570a_100011290941_100102888905 [1,0,1,0,0,0|1,0,1]=4 1787 B11R1.279 C=Cc1ccc(cc1C)OC 271570a_100011290941_100000759875 [1,0,1,0,0,0|0,0,1]=3 1788 B11R1.279 C=Cc1ccc(cc1F)CC 271570a_100011290941_200010339503 [1,0,1,0,0,0|2,0,0]=4 1789 B11R1.279 C=Cc1ccc(cc1F)NC 271570a_100011290941_100012285320 [1,0,1,0,0,0|2,0,0]=4 1790 B11R1.279 C=Cc1ccc(cc1F)OC 271570a_100011290941_100000753793 [1,0,1,0,0,0|1,0,0]=3 1791 B11R1.279 C=Cc1ccc(cc1F)SC 271570a_100011290941_100009816902 [1,0,1,0,0,0|1,1,0]=4 1792 B11R1.279 C=Cc1ccc(cc1F)SC 62a_100011935271_200000210301 [1,0,1,0,0,0|1,1,0]=4 1793 B11R1.279 C=Cc1ccc(cc1F)SC 62a_200000210301_100011935271 [1,0,1,0,0,0|1,1,0]=4 1794 B11R1.279 C=Cc1ccc(cc1F)S[13CH3] 62a_100011935271_200025704644 [1,0,1,0,0,0|1,1,0]=4 1795 B11R1.279 C=Cc1ccc(cc1F)S[13CH3] 62a_200025704644_100011935271 [1,0,1,0,0,0|1,1,0]=4 1796 B11R1.279 C=Cc1ccc(cc1N)OC 271570a_100011290941_100000748021 [1,0,1,0,0,0|1,0,0]=3 1797 B11R1.279 C=Cc1ccc(cc1O)OC 271570a_100011290941_100000719091 [1,0,1,0,0,0|1,0,0]=3 1798 B11R1.279 C=Cc1ccc(nc1C)OC 271570a_100011290941_100000766551 [1,0,1,0,0,0|1,0,1]=4 1799 B11R1.279 C=Cc1ccc(nc1F)OC 271570a_100011290941_100010067559 [1,0,1,0,0,0|2,0,0]=4 1800 B11R1.279 C=Cc1ccc(nc1N)OC 271570a_100011290941_100010187629 [1,0,1,0,0,0|2,0,0]=4 1801 B11R1.279 C=Cc1cnc(cc1C)OC 271570a_100011290941_100011934368 [1,0,1,0,0,0|1,0,1]=4 1802 B11R1.279 C=Cc1cnc(cc1F)OC 271570a_100011290941_100010136277 [1,0,1,0,0,0|2,0,0]=4 1803 B11R1.279 C=Cc1cnc(cc1N)OC 271570a_100011290941_100010254562 [1,0,1,0,0,0|2,0,0]=4 1804 B11R1.279 C=Cc1cnc(cc1O)OC 271570a_100011290941_100010738159 [1,0,1,0,0,0|2,0,0]=4 1805 B11R1.279 C=Cc1ncc(cc1C)OC 271570a_100011290941_200009851512 [1,0,1,0,0,0|1,0,1]=4 1806 B11R1.279 C=Cc1ncc(cc1N)OC 271570a_100011290941_100010074831 [1,0,1,0,0,0|2,0,0]=4 1807 B11R1.279 COc1ccc(c(c1)O)C=O 271570a_203496583355_100000723261 [1,0,1,0,0,0|2,0,0]=4 1808 B11R1.280 C=Cc1cc(ccc1Br)OC 271570a_100011290941_100009992028 [1,0,1,0,0,0|1,0,0]=3 1809 B11R1.280 C=Cc1cc(ccc1C)NC 271570a_100011290941_100000707694 [1,0,1,0,0,0|1,0,1]=4 1810 B11R1.280 C=Cc1cc(ccc1C)OC 271570a_100011290941_100012349166 [1,0,1,0,0,0|0,0,1]=3 1811 B11R1.280 C=Cc1cc(ccc1Cl)OC 271570a_100011290941_100011356938 [1,0,1,0,0,0|1,0,0]=3 1812 B11R1.280 C=Cc1cc(ccc1F)CC 271570a_100011290941_200010244628 [1,0,1,0,0,0|2,0,0]=4 1813 B11R1.280 C=Cc1cc(ccc1F)OC 271570a_100011290941_100000699733 [1,0,1,0,0,0|1,0,0]=3 1814 B11R1.280 C=Cc1cc(ccc1F)SC 271570a_100011290941_200010708804 [1,0,1,0,0,0|1,1,0]=4 1815 B11R1.280 C=Cc1cc(ccc1F)SC 62a_100000688377_200000210301 [1,0,1,0,0,0|1,1,0]=4 1816 B11R1.280 C=Cc1cc(ccc1F)SC 62a_200000210301_100000688377 [1,0,1,0,0,0|1,1,0]=4 1817 B11R1.280 C=Cc1cc(ccc1F)S[13CH3] 62a_100000688377_200025704644 [1,0,1,0,0,0|1,1,0]=4 1818 B11R1.280 C=Cc1cc(ccc1F)S[13CH3] 62a_200025704644_100000688377 [1,0,1,0,0,0|1,1,0]=4 1819 B11R1.280 C=Cc1cc(ccc1N)CC 271570a_100011290941_100012339725 [1,0,1,0,0,0|1,0,1]=4 1820 B11R1.280 C=Cc1cc(ccc1N)OC 271570a_100011290941_100015195136 [1,0,1,0,0,0|0,0,1]=3 1821 B11R1.280 C=Cc1cc(ccc1O)CC 271570a_100011290941_100012339963 [1,0,1,0,0,0|2,0,0]=4 1822 B11R1.280 C=Cc1cc(ccc1O)OC 271570a_100011290941_100000685887 [1,0,1,0,0,0|1,0,0]=3 1823 B11R1.280 C=Cc1cc(cnc1F)OC 271570a_100011290941_100010068374 [1,0,1,0,0,0|2,0,0]=4 1824 B11R1.280 C=Cc1cc(ncc1C)OC 271570a_100011290941_100010068546 [1,0,1,0,0,0|1,0,1]=4 1825 B11R1.280 C=Cc1cc(ncc1Cl)OC 271570a_100011290941_100010068019 [1,0,1,0,0,0|2,0,0]=4 1826 B11R1.280 C=Cc1cc(ncc1F)OC 271570a_100011290941_100010160775 [1,0,1,0,0,0|2,0,0]=4 1827 B11R1.280 C=Cc1nc(ccc1N)OC 271570a_100011290941_100000069805 [1,0,1,0,0,0|1,0,1]=4 1828 B11R1.280 COc1ccc(c(c1)C=O)O 271570a_203496583355_100000691568 [1,0,1,0,0,0|2,0,0]=4 1829 B11R1.40 C=CC(=O)Cc1cccnc1 1458a_100000185746_100000733263 [1,0,1,0,0,0|0,0,2]=4 1830 B11R1.40 C=CC(C)Sc1cccnc1 62a_100011215867_100000210063 [1,0,1,0,0,0|1,0,1]=4 1831 B11R1.41 C=Cc1ccccc1COC 271570a_100011290941_100011493684 [1,0,1,0,0,0|1,0,1]=4 1832 B11R1.41 C=Cc1ccccc1COC 34a_200010883148_200000210301 [1,0,1,0,0,0|1,0,1]=4 1833 B11R1.41 C=Cc1ccccc1COC 7a_200010883148_200000210301 [1,0,1,0,0,0|1,0,1]=4 1834 B11R1.41 C=Cc1ccccc1CO[13CH3] 34a_200010883148_200025704644 [1,0,1,0,0,0|1,0,1]=4 1835 B11R1.41 C=Cc1ccccc1CO[13CH3] 7a_200010883148_200025704644 [1,0,1,0,0,0|1,0,1]=4 1836 B11R1.41 C=Cc1ncccc1CNC 271570a_100011290941_103496529121 [1,0,1,0,0,0|1,0,1]=4 1837 B11R1.41 C=Cc1ncccc1OCC 271570a_100011290941_100011597540 [1,0,1,0,0,0|1,0,1]=4 1838 B11R1.41 CC=Cc1ccccc1C=O 271570a_100016259895_100000211189 [1,0,1,0,0,0|2,0,0]=4 1839 B11R1.41 CC=Cc1cccnc1C#N 271570a_100016259895_100000685805 [1,0,1,0,0,0|1,0,1]=4 1840 B11R1.41 CC=Cc1cccnc1C=O 271570a_100016259895_100011934733 [1,0,1,0,0,0|1,0,0]=3 1841 B11R1.41 CC=Cc1cccnc1CC 271570a_100016259895_100009877225 [1,0,1,0,0,0|0,0,2]=4 1842 B11R1.41 CC=Cc1cccnc1CN 271570a_100016259895_100020591323 [1,0,1,0,0,0|1,0,1]=4 1843 B11R1.41 CC=Cc1cccnc1CO 271570a_100016259895_100011996772 [1,0,1,0,0,0|1,0,1]=4 1844 B11R1.41 CC=Cc1cccnc1NC 271570a_100016259895_100000700899 [1,0,1,0,0,0|1,0,1]=4 1845 B11R1.41 CC=Cc1cccnc1NN 271570a_100016259895_100011464834 [1,0,1,0,0,0|2,0,0]=4 1846 B11R1.41 CC=Cc1cccnc1OC 271570a_100016259895_100000047025 [1,0,1,0,0,0|1,0,1]=4 1847 B11R1.41 CC=Cc1cccnc1SC 271570a_100016259895_100011465278 [1,0,1,0,0,0|1,0,1]=4 1848 B11R1.182 C=C=Cc1cc(ccc1Br)C 271570a_100015277604_100012353751 [1,0,1,0,0,0|1,0,1]=4 1849 B11R1.182 C=C=Cc1cc(ccc1Br)O 271570a_100015277604_100012339312 [1,0,1,0,0,0|1,0,1]=4 1850 B11R1.182 C=C=Cc1cc(ccc1C)C 271570a_100015277604_100000210833 [1,0,1,0,0,0|1,0,1]=4 1851 B11R1.182 C=C=Cc1cc(ccc1C)O 271570a_100015277604_100011380479 [1,0,1,0,0,0|1,0,1]=4 1852 B11R1.182 C=C=Cc1cc(ccc1Cl)C 271570a_100015277604_100012356289 [1,0,1,0,0,0|1,0,1]=4 1853 B11R1.182 C=C=Cc1cc(ccc1Cl)O 271570a_100015277604_100000049588 [1,0,1,0,0,0|1,0,1]=4 1854 B11R1.182 C=C=Cc1cc(ccc1F)C 271570a_100015277604_100000736223 [1,0,1,0,0,0|1,0,1]=4 1855 B11R1.182 C=C=Cc1cc(ccc1F)O 271570a_100015277604_100000693481 [1,0,1,0,0,0|1,0,1]=4 1856 B11R1.182 C=C=Cc1cc(ccc1N)C 271570a_100015277604_100000210942 [1,0,1,0,0,0|0,0,2]=4 1857 B11R1.182 C=C=Cc1cc(ccc1N)O 271570a_100015277604_100012001276 [1,0,1,0,0,0|0,0,2]=4 1858 B11R1.182 C=C=Cc1cc(ccc1O)C 271570a_100015277604_100000765521 [1,0,1,0,0,0|1,0,1]=4 1859 B11R1.182 C=C=Cc1cc(ccc1O)O 271570a_100015277604_100009813629 [1,0,1,0,0,0|1,0,1]=4 1860 B11R1.182 CC=Cc1cc(ccc1Br)C 271570a_100016259895_100012353751 [1,0,1,0,0,0|1,0,1]=4 1861 B11R1.182 CC=Cc1cc(ccc1Br)O 271570a_100016259895_100012339312 [1,0,1,0,0,0|1,0,1]=4 1862 B11R1.182 CC=Cc1cc(ccc1C)C 271570a_100016259895_100000210833 [1,0,1,0,0,0|1,0,1]=4 1863 B11R1.182 CC=Cc1cc(ccc1C)O 271570a_100016259895_100011380479 [1,0,1,0,0,0|1,0,1]=4 1864 B11R1.182 CC=Cc1cc(ccc1Cl)C 271570a_100016259895_100012356289 [1,0,1,0,0,0|1,0,1]=4 1865 B11R1.182 CC=Cc1cc(ccc1Cl)O 271570a_100016259895_100000049588 [1,0,1,0,0,0|1,0,1]=4 1866 B11R1.182 CC=Cc1cc(ccc1F)C 271570a_100016259895_100000736223 [1,0,1,0,0,0|1,0,1]=4 1867 B11R1.182 CC=Cc1cc(ccc1F)O 271570a_100016259895_100000693481 [1,0,1,0,0,0|1,0,1]=4 1868 B11R1.182 CC=Cc1cc(ccc1N)C 271570a_100016259895_100000210942 [1,0,1,0,0,0|0,0,2]=4 1869 B11R1.182 CC=Cc1cc(ccc1N)O 271570a_100016259895_100012001276 [1,0,1,0,0,0|0,0,2]=4 1870 B11R1.182 CC=Cc1cc(ccc1O)C 271570a_100016259895_100000765521 [1,0,1,0,0,0|1,0,1]=4 1871 B11R1.182 CC=Cc1cc(ccc1O)O 271570a_100016259895_100009813629 [1,0,1,0,0,0|1,0,1]=4 1872 B11R1.189 C=C=Cc1cc(ccn1)OC 271570a_100015277604_100011216251 [1,0,1,0,0,0|1,0,1]=4 1873 B11R1.189 C=C=Cc1cccc(c1)CC 271570a_100015277604_100000684523 [1,0,1,0,0,0|1,0,1]=4 1874 B11R1.189 C=C=Cc1cccc(c1)NC 271570a_100015277604_100000219648 [1,0,1,0,0,0|1,0,1]=4 1875 B11R1.189 C=C=Cc1cccc(c1)OC 271570a_100015277604_100000170001 [1,0,1,0,0,0|0,0,1]=3 1876 B11R1.189 C=C=Cc1cccc(c1)SC 271570a_100015277604_100011215954 [1,0,1,0,0,0|0,1,1]=4 1877 B11R1.189 C=C=Cc1cccc(n1)OC 271570a_100015277604_100000760917 [1,0,1,0,0,0|1,0,1]=4 1878 B11R1.189 C=C=Cc1ccnc(c1)OC 271570a_100015277604_100000117307 [1,0,1,0,0,0|1,0,1]=4 1879 B11R1.189 C=C=Cc1cncc(c1)OC 271570a_100015277604_100000684773 [1,0,1,0,0,0|1,0,1]=4 1880 B11R1.189 C=CCc1cccc(c1)SC 62a_100009816576_200000210301 [1,0,1,0,0,0|0,1,1]=4 1881 B11R1.189 C=CCc1cccc(c1)SC 62a_200000210301_100009816576 [1,0,1,0,0,0|0,1,1]=4 1882 B11R1.189 C=CCc1cccc(c1)S[13CH3] 62a_100009816576_200025704644 [1,0,1,0,0,0|0,1,1]=4 1883 B11R1.189 C=CCc1cccc(c1)S[13CH3] 62a_200025704644_100009816576 [1,0,1,0,0,0|0,1,1]=4 1884 B11R1.189 CC=Cc1cc(ccn1)OC 271570a_100016259895_100011216251 [1,0,1,0,0,0|1,0,1]=4 1885 B11R1.189 CC=Cc1cccc(c1)CC 271570a_100016259895_100000684523 [1,0,1,0,0,0|1,0,1]=4 1886 B11R1.189 CC=Cc1cccc(c1)NC 271570a_100016259895_100000219648 [1,0,1,0,0,0|1,0,1]=4 1887 B11R1.189 CC=Cc1cccc(c1)OC 271570a_100016259895_100000170001 [1,0,1,0,0,0|0,0,1]=3 1888 B11R1.189 CC=Cc1cccc(c1)SC 271570a_100016259895_100011215954 [1,0,1,0,0,0|0,1,1]=4 1889 B11R1.189 CC=Cc1cccc(n1)OC 271570a_100016259895_100000760917 [1,0,1,0,0,0|1,0,1]=4 1890 B11R1.189 CC=Cc1ccnc(c1)OC 271570a_100016259895_100000117307 [1,0,1,0,0,0|1,0,1]=4 1891 B11R1.189 CC=Cc1cncc(c1)OC 271570a_100016259895_100000684773 [1,0,1,0,0,0|1,0,1]=4 1892 B11R1.86 CC(=Cc1cccnc1Br)C 271570a_100102525489_100010202626 [1,0,1,0,0,0|1,0,1]=4 1893 B11R1.86 CC(=Cc1cccnc1C)C 271570a_100102525489_100000751574 [1,0,1,0,0,0|0,0,2]=4 1894 B11R1.86 CC(=Cc1cccnc1Cl)C 271570a_100102525489_100000036424 [1,0,1,0,0,0|1,0,1]=4 1895 B11R1.86 CC(=Cc1cccnc1F)C 271570a_100102525489_100009816115 [1,0,1,0,0,0|1,0,1]=4 1896 B11R1.86 CC(=Cc1cccnc1N)C 271570a_100102525489_100000045569 [1,0,1,0,0,0|1,0,1]=4 1897 B13R1.14 CCC(=O)C=Cc1ccc(cn1)Br 6a_100000754260_100000211110 [0,1,1,0,0,0|2,0,0]=4 1898 B13R1.14 CCC(=O)C=Cc1ccc(cn1)F 1458a_100020630499_100000210202 [0,1,1,0,0,0|2,0,0]=4 1899 B13R1.14 CCC(=O)C=Cc1ccc(cn1)F 6a_100011934744_100000211110 [0,1,1,0,0,0|2,0,0]=4 1900 B13R1.14 CNC(=O)C=Cc1ccc(cn1)F 11a_106832991635_100020630499 [0,1,1,0,0,0|2,0,0]=4 1901 B13R1.14 CNC(=O)C=Cc1ccc(cn1)F 1626a_100102657272_100020630499 [0,1,1,0,0,0|2,0,0]=4 1902 B13R1.14 CNC(=O)C=Cc1ccc(cn1)F 240690a_100102657272_100020630499 [0,1,1,0,0,0|2,0,0]=4 1903 B13R1.14 COC(=O)/C=C/c1ccc(cc1)O 271570a_203496583355_100000148628 [0,1,1,0,0,0|2,0,0]=4 1904 B13R1.15 COC(=O)/C=C/c1cccc(c1)O 271570a_203496583355_100000149372 [0,1,1,0,0,0|2,0,0]=4 1905 B13R1.42 CCCC(=O)C=Cc1ccccn1 1458a_100000740811_100000210303 [0,1,1,0,0,0|2,0,0]=4 1906 B13R1.42 CCNC(=O)C=Cc1ccccn1 11a_100015525214_100000740811 [0,1,1,0,0,0|2,0,0]=4 1907 B13R1.42 CCNC(=O)C=Cc1ccccn1 240690a_100015525214_100000740811 [0,1,1,0,0,0|2,0,0]=4 1908 B13R1.42 CCOC(=O)C=Cc1ccccc1 271570a_100010199719_100000210277 [0,1,1,0,0,0|2,0,0]=4 1909 B13R1.42 CCOC(=O)C=Cc1ccccn1 271570a_100010199719_100011216584 [0,1,1,0,0,0|1,0,0]=3 1910 B13R1.42 CCOC(=O)C=Cc1cccnn1 271570a_100010199719_100016991348 [0,1,1,0,0,0|2,0,0]=4 1911 B13R1.42 CCOC(=O)C=Cc1ccncn1 271570a_100010199719_100000703185 [0,1,1,0,0,0|2,0,0]=4 1912 B13R1.42 CCOC(=O)C=Cc1cnccn1 271570a_100010199719_100000758340 [0,1,1,0,0,0|2,0,0]=4 1913 B13R1.42 CCOC(=O)C=Cc1ncccn1 271570a_100010199719_100000211032 [0,1,1,0,0,0|2,0,0]=4 1914 B13R1.42 CNNC(=O)C=Cc1ccccn1 22a_100016993582_100000740811 [0,1,1,0,0,0|2,0,0]=4 1915 B13R1.42 O=C(C=Cc1ccccn1)CCF 1458a_100000740811_100011217306 [0,1,1,0,0,0|2,0,0]=4 1916 B13R1.42 O=C(C=Cc1ccccn1)CCO 1458a_100000740811_100000211926 [0,1,1,0,0,0|2,0,0]=4 1917 B13R1.135 CCC(=O)/C(=C/c1ccccn1)/C 1458a_100025712827_100000210202 [0,1,1,0,0,0|2,0,0]=4 1918 B13R1.135 CNC(=O)/C(=C/c1ccccn1)/C 11a_106832991635_100025712827 [0,1,1,0,0,0|2,0,0]=4 1919 B13R1.135 CNC(=O)/C(=C/c1ccccn1)/C 1626a_100102657272_100025712827 [0,1,1,0,0,0|2,0,0]=4 1920 B13R1.135 CNC(=O)/C(=C/c1ccccn1)/C 527a_100102657272_100025712827 [0,1,1,0,0,0|2,0,0]=4 1921 B13R1.351 CC(C)C(=O)C=Cc1ccccn1 1458a_100000740811_100000210206 [0,1,1,0,0,0|2,0,0]=4 1922 B13R1.351 CN(C)C(=O)C=Cc1ccccn1 11a_100102631434_100000740811 [0,1,1,0,0,0|2,0,0]=4 1923 B13R1.351 CN(C)C(=O)C=Cc1ccccn1 240690a_100102631434_100000740811 [0,1,1,0,0,0|2,0,0]=4 1924 B13R1.528 COC(=O)/C=C/c1ccccc1O 271570a_203496583355_100000151022 [0,1,1,0,0,0|2,0,0]=4 1925 B13R1.3 C=C(C)CNc1ccc(cc1)OC 34a_100000184247_100000748629 [0,1,1,0,0,0|0,0,2]=4 1926 B13R1.3 C=C(C)COc1ccc(cc1)OC 34a_100000210503_100000748629 [0,1,1,0,0,0|1,0,1]=4 1927 B13R1.3 C=C(C)CSc1ccc(cc1)OC 62a_100000748629_100000171711 [0,1,1,0,0,0|1,0,1]=4 1928 B13R1.3 C=C(F)CNc1ccc(cc1)OC 34a_100000184247_100009893438 [0,1,1,0,0,0|0,0,2]=4 1929 B13R1.3 C=C(F)COc1ccc(cc1)OC 34a_100000210503_100009893438 [0,1,1,0,0,0|1,0,1]=4 1930 B13R1.3 C=C(F)CSc1ccc(cc1)OC 62a_100000042424_100000171711 [0,1,1,0,0,0|1,0,1]=4 1931 B13R1.3 CC(=O)/C=C/c1ccc(cc1)O[13CH3] 34a_100000189429_200025704644 [0,1,1,0,0,0|1,0,1]=4 1932 B13R1.3 COc1ccc(cc1)/C=C/C(=O)C 34a_100000189429_200000210301 [0,1,1,0,0,0|1,0,1]=4 1933 B13R1.3 COc1ccc(cc1)C=CC(=O)C 1458a_100000184205_200000210301 [0,1,1,0,0,0|1,0,1]=4 1934 B13R1.3 COc1ccc(cc1)C=CC(=O)[13CH3] 1458a_100000184205_200025704644 [0,1,1,0,0,0|1,0,1]=4 1935 B13R1.5 C=CC(=O)Cc1ccc(cc1)CC 1458a_100000185746_100000747183 [0,1,1,0,0,0|2,0,0]=4 1936 B13R1.5 C=CC(=O)Cc1ccc(cc1)SC 1458a_100000185746_100000181263 [0,1,1,0,0,0|1,1,0]=4 1937 B13R1.5 C=CC(=O)Cc1ccc(cn1)OC 1458a_100000185746_200000757186 [0,1,1,0,0,0|2,0,0]=4 1938 B13R1.5 C=CC(=O)Cc1ccc(nc1)OC 1458a_100000185746_100020631284 [0,1,1,0,0,0|2,0,0]=4 1939 B13R1.5 C=CC(=O)Nc1ccc(cc1)CC 1626a_100000211069_100000185746 [0,1,1,0,0,0|1,0,1]=4 1940 B13R1.5 C=CC(=O)Nc1ccc(cc1)CC 22a_100000211069_100000185746 [0,1,1,0,0,0|1,0,1]=4 1941 B13R1.5 C=CC(=O)Nc1ccc(cc1)OC 1626a_100000184247_100000185746 [0,1,1,0,0,0|0,0,1]=3 1942 B13R1.5 C=CC(=O)Nc1ccc(cc1)OC 22a_100000184247_100000185746 [0,1,1,0,0,0|0,0,1]=3 1943 B13R1.5 C=CC(=O)Nc1ccc(cc1)OC 34a_100011235904_200000210301 [0,1,1,0,0,0|0,0,1]=3 1944 B13R1.5 C=CC(=O)Nc1ccc(cc1)O[13CH3] 34a_100011235904_200025704644 [0,1,1,0,0,0|0,0,1]=3 1945 B13R1.5 C=CC(=O)Nc1ccc(cc1)SC 22a_100000212337_100000185746 [0,1,1,0,0,0|0,1,1]=4 1946 B13R1.5 C=CC(C)Sc1ccc(cc1)OC 62a_100011215867_100000171711 [0,1,1,0,0,0|1,0,1]=4 1947 B13R1.75 C=CCNc1ccc(cc1Br)OC 34a_100015195136_100015514636 [0,1,1,0,0,0|0,0,2]=4 1948 B13R1.75 C=CCNc1ccc(cc1C)OC 34a_100000750285_100015514636 [0,1,1,0,0,0|0,0,2]=4 1949 B13R1.75 C=CCNc1ccc(cc1Cl)OC 34a_100000747055_100015514636 [0,1,1,0,0,0|0,0,2]=4 1950 B13R1.75 C=CCNc1ccc(cc1F)OC 34a_100011299463_100015514636 [0,1,1,0,0,0|0,0,2]=4 1951 B13R1.75 C=CCNc1ccc(cc1I)OC 34a_100000049804_100015514636 [0,1,1,0,0,0|0,0,2]=4 1952 B13R1.75 C=CCNc1ccc(cc1O)OC 34a_100016989039_100015514636 [0,1,1,0,0,0|0,0,2]=4 1953 B13R1.75 C=CCOc1ccc(cc1Br)OC 34a_100000685887_100015514636 [0,1,1,0,0,0|1,0,1]=4 1954 B13R1.75 C=CCOc1ccc(cc1Br)OC 7a_100000685887_100015514636 [0,1,1,0,0,0|1,0,1]=4 1955 B13R1.75 C=CCOc1ccc(cc1C)OC 34a_100012002223_100015514636 [0,1,1,0,0,0|1,0,1]=4 1956 B13R1.75 C=CCOc1ccc(cc1C)OC 7a_100012002223_100015514636 [0,1,1,0,0,0|1,0,1]=4 1957 B13R1.75 C=CCOc1ccc(cc1Cl)OC 34a_100000038596_100015514636 [0,1,1,0,0,0|1,0,1]=4 1958 B13R1.75 C=CCOc1ccc(cc1Cl)OC 7a_100000038596_100015514636 [0,1,1,0,0,0|1,0,1]=4 1959 B13R1.75 C=CCOc1ccc(cc1F)OC 34a_100000036999_100015514636 [0,1,1,0,0,0|1,0,1]=4 1960 B13R1.75 C=CCOc1ccc(cc1F)OC 7a_100000036999_100015514636 [0,1,1,0,0,0|1,0,1]=4 1961 B13R1.75 C=CCOc1ccc(cc1N)OC 34a_100000188146_100015514636 [0,1,1,0,0,0|1,0,1]=4 1962 B13R1.75 C=CCSc1ccc(cc1Br)OC 62a_100000210623_100012349170 [0,1,1,0,0,0|1,0,1]=4 1963 B13R1.75 C=CCSc1ccc(cc1Br)OC 62a_100012349170_100000210623 [0,1,1,0,0,0|1,0,1]=4 1964 B13R1.75 C=CCSc1ccc(cc1C)OC 62a_100000210623_100000759875 [0,1,1,0,0,0|1,0,1]=4 1965 B13R1.75 C=CCSc1ccc(cc1C)OC 62a_100000759875_100000210623 [0,1,1,0,0,0|1,0,1]=4 1966 B13R1.75 C=CCSc1ccc(cc1F)OC 62a_100000210623_100000753793 [0,1,1,0,0,0|1,0,1]=4 1967 B13R1.75 C=CCSc1ccc(cc1F)OC 62a_100000753793_100000210623 [0,1,1,0,0,0|1,0,1]=4 1968 B13R1.75 C=CCSc1ccc(cc1N)OC 62a_100000210623_100000748021 [0,1,1,0,0,0|1,0,1]=4 1969 B13R1.75 C=CCSc1ccc(cc1N)OC 62a_100000748021_100000210623 [0,1,1,0,0,0|1,0,1]=4 1970 B13R1.75 C=CCSc1ccc(cc1O)OC 62a_100000210623_100000719091 [0,1,1,0,0,0|1,0,1]=4 1971 B13R1.77 C=CCNc1ccc(cc1)COC 34a_100000694113_100015514636 [0,1,1,0,0,0|0,0,2]=4 1972 B13R1.77 C=CCNc1ccc(cc1)OCC 2230a_100000739623_100000210623 [0,1,1,0,0,0|0,0,2]=4 1973 B13R1.77 C=CCNc1ccc(cc1)OCC 34a_100000739623_100015514636 [0,1,1,0,0,0|0,0,2]=4 1974 B13R1.77 C=CCOc1ccc(cc1)COC 34a_200011995677_100015514636 [0,1,1,0,0,0|1,0,1]=4 1975 B13R1.77 C=CCOc1ccc(cc1)COC 7a_200011995677_100015514636 [0,1,1,0,0,0|1,0,1]=4 1976 B13R1.77 C=CCOc1ccc(cc1)OCC 34a_100000185467_100015514636 [0,1,1,0,0,0|1,0,1]=4 1977 B13R1.77 C=CCSc1ccc(cc1)COC 62a_100000210623_100011493685 [0,1,1,0,0,0|1,0,1]=4 1978 B13R1.77 C=CCSc1ccc(cc1)COC 62a_100011493685_100000210623 [0,1,1,0,0,0|1,0,1]=4 1979 B13R1.77 C=CCSc1ccc(cc1)OCC 62a_100000210623_100000171712 [0,1,1,0,0,0|1,0,1]=4 1980 B13R1.371 C/C=C/CNc1ccc(cc1)OC 34a_100000184247_100102629194 [0,1,1,0,0,0|0,0,2]=4 1981 B13R1.371 C/C=C/COc1ccc(cc1)OC 34a_100000210503_100102629194 [0,1,1,0,0,0|1,0,1]=4 1982 B13R1.371 C/C=C/CSc1ccc(cc1)OC 62a_100102629194_100000171711 [0,1,1,0,0,0|1,0,1]=4 1983 B13R1.371 C=CCCNc1ccc(cc1)OC 34a_100000184247_100000754431 [0,1,1,0,0,0|0,0,2]=4 1984 B13R1.371 C=CCCOc1ccc(cc1)OC 34a_100000210503_100000754431 [0,1,1,0,0,0|1,0,1]=4 1985 B13R1.371 C=CCCSc1ccc(cc1)OC 62a_100000754431_100000171711 [0,1,1,0,0,0|1,0,1]=4 1986 B13R1.371 C=CCNCc1ccc(cc1)OC 2230a_100020586998_100000742318 [0,1,1,0,0,0|0,0,2]=4 1987 B13R1.371 C=CCNCc1ccc(cc1)OC 270004a_100020586998_100000169835 [0,1,1,0,0,0|0,0,2]=4 1988 B13R1.371 C=CCNCc1ccc(cc1)OC 34a_100000185587_100015514636 [0,1,1,0,0,0|0,0,2]=4 1989 B13R1.371 C=CCOCc1ccc(cc1)OC 34a_100000173359_100015514636 [0,1,1,0,0,0|1,0,1]=4 1990 B13R1.371 C=CCOCc1ccc(cc1)OC 34a_200000210373_100000742318 [0,1,1,0,0,0|1,0,1]=4 1991 B13R1.371 C=CCSCc1ccc(cc1)OC 62a_100000210623_100000742318 [0,1,1,0,0,0|1,0,1]=4 1992 B13R1.371 CC=CCNc1ccc(cc1)OC 34a_100000184247_100000070051 [0,1,1,0,0,0|0,0,2]=4 1993 B13R1.371 CC=CCOc1ccc(cc1)OC 34a_100000210503_100000070051 [0,1,1,0,0,0|1,0,1]=4 1994 B13R1.371 CC=CCSc1ccc(cc1)OC 62a_100000070051_100000171711 [0,1,1,0,0,0|1,0,1]=4 1995 B13R1.371 CCC=NNc1ccc(cc1)OC 4a_100000005221_100000210100 [0,1,1,0,0,0|0,0,2]=4 1996 B13R1.452 C=CCC(=O)c1ccc(cc1)OC 1458a_100000184203_100000210623 [0,1,1,0,0,0|1,0,1]=4 1997 B13R1.452 C=CCN(C)c1ccc(cc1)OC 2230a_100000220023_100000210623 [0,1,1,0,0,0|0,0,2]=4 1998 B13R1.452 C=CCN(C)c1ccc(cc1)OC 269982a_100000220023_100000210623 [0,1,1,0,0,0|0,0,2]=4 1999 B13R1.452 C=CCN(C)c1ccc(cc1)OC 34a_100000220023_100015514636 [0,1,1,0,0,0|0,0,2]=4 2000 B13R1.577 C=CCNc1ccc(c(c1)Br)OC 34a_100000187427_100015514636 [0,1,1,0,0,0|0,0,2]=4 2001 B13R1.577 C=CCNc1ccc(c(c1)C)OC 2230a_100000743268_100000210623 [0,1,1,0,0,0|0,0,2]=4 2002 B13R1.577 C=CCNc1ccc(c(c1)C)OC 34a_100000743268_100015514636 [0,1,1,0,0,0|0,0,2]=4 2003 B13R1.577 C=CCNc1ccc(c(c1)C)OC 7a_100000743268_100015514636 [0,1,1,0,0,0|0,0,2]=4 2004 B13R1.577 C=CCNc1ccc(c(c1)Cl)OC 2230a_100000211044_100000210623 [0,1,1,0,0,0|0,0,2]=4 2005 B13R1.577 C=CCNc1ccc(c(c1)Cl)OC 34a_100000211044_100015514636 [0,1,1,0,0,0|0,0,2]=4 2006 B13R1.577 C=CCNc1ccc(c(c1)F)OC 2230a_100000740183_100000210623 [0,1,1,0,0,0|0,0,2]=4 2007 B13R1.577 C=CCNc1ccc(c(c1)F)OC 34a_100000740183_100015514636 [0,1,1,0,0,0|0,0,2]=4 2008 B13R1.577 C=CCNc1ccc(c(c1)I)OC 34a_100011356947_100015514636 [0,1,1,0,0,0|0,0,2]=4 2009 B13R1.577 C=CCNc1ccc(c(c1)O)OC 34a_100000211920_100015514636 [0,1,1,0,0,0|0,0,2]=4 2010 B13R1.577 C=CCOc1ccc(c(c1)Br)OC 34a_100010234764_100015514636 [0,1,1,0,0,0|1,0,1]=4 2011 B13R1.577 C=CCOc1ccc(c(c1)Br)OC 7a_100010234764_100015514636 [0,1,1,0,0,0|1,0,1]=4 2012 B13R1.577 C=CCOc1ccc(c(c1)C)OC 34a_100000759738_100015514636 [0,1,1,0,0,0|1,0,1]=4 2013 B13R1.577 C=CCOc1ccc(c(c1)C)OC 7a_100000759738_100015514636 [0,1,1,0,0,0|1,0,1]=4 2014 B13R1.577 C=CCOc1ccc(c(c1)Cl)OC 34a_200009861682_100015514636 [0,1,1,0,0,0|1,0,1]=4 2015 B13R1.577 C=CCOc1ccc(c(c1)Cl)OC 7a_200009861682_100015514636 [0,1,1,0,0,0|1,0,1]=4 2016 B13R1.577 C=CCOc1ccc(c(c1)F)OC 34a_100000746305_100015514636 [0,1,1,0,0,0|1,0,1]=4 2017 B13R1.577 C=CCOc1ccc(c(c1)F)OC 7a_100000746305_100015514636 [0,1,1,0,0,0|1,0,1]=4 2018 B13R1.577 C=CCOc1ccc(c(c1)I)OC 34a_100010084122_100015514636 [0,1,1,0,0,0|1,0,1]=4 2019 B13R1.577 C=CCOc1ccc(c(c1)I)OC 7a_100010084122_100015514636 [0,1,1,0,0,0|1,0,1]=4 2020 B13R1.577 C=CCSc1ccc(c(c1)Br)OC 62a_100000210623_100011249507 [0,1,1,0,0,0|1,0,1]=4 2021 B13R1.577 C=CCSc1ccc(c(c1)Br)OC 62a_100011249507_100000210623 [0,1,1,0,0,0|1,0,1]=4 2022 B13R1.577 C=CCSc1ccc(c(c1)C)OC 62a_100000210623_100011219705 [0,1,1,0,0,0|1,0,1]=4 2023 B13R1.577 C=CCSc1ccc(c(c1)C)OC 62a_100011219705_100000210623 [0,1,1,0,0,0|1,0,1]=4 2024 B13R1.577 C=CCSc1ccc(c(c1)Cl)OC 62a_100000210623_100012355395 [0,1,1,0,0,0|1,0,1]=4 2025 B13R1.577 C=CCSc1ccc(c(c1)Cl)OC 62a_100012355395_100000210623 [0,1,1,0,0,0|1,0,1]=4 2026 B13R1.577 C=CCSc1ccc(c(c1)F)OC 62a_100000171752_100000210623 [0,1,1,0,0,0|1,0,1]=4 2027 B13R1.577 C=CCSc1ccc(c(c1)F)OC 62a_100000210623_100000171752 [0,1,1,0,0,0|1,0,1]=4 2028 B13R1.577 C=CCSc1ccc(c(c1)N)OC 62a_100000210623_100011249504 [0,1,1,0,0,0|1,0,1]=4 2029 B13R1.577 C=CCSc1ccc(c(c1)N)OC 62a_100011249504_100000210623 [0,1,1,0,0,0|1,0,1]=4 2030 B13R1.577 C=CCSc1ccc(c(c1)O)OC 62a_100000210623_100009816560 [0,1,1,0,0,0|1,0,1]=4 2031 B13R1.99 C=C(C)c1ccc(cc1C=O)OC 271570a_100000694244_100000691568 [0,1,1,0,0,0|2,0,0]=4 2032 B13R1.99 C=Cc1cc(ccc1C(=O)C)OC 271570a_100011290941_100000697255 [0,1,1,0,0,0|1,0,1]=4 2033 B13R1.99 C=Cc1cc(ccc1C(=O)N)OC 271570a_100011290941_200009815664 [0,1,1,0,0,0|2,0,0]=4 2034 B13R1.99 C=Cc1cc(ccc1C(C)O)OC 271570a_100011290941_100000697252 [0,1,1,0,0,0|1,0,1]=4 2035 B13R1.99 C=Cc1cc(ccc1C(F)F)OC 271570a_100011290941_100010189948 [0,1,1,0,0,0|2,0,0]=4 2036 B13R1.355 C=C=Cc1cc(ccc1C#N)OC 271570a_100015277604_100012355471 [0,1,1,0,0,0|2,0,0]=4 2037 B13R1.355 C=C=Cc1cc(ccc1C=O)OC 271570a_100015277604_100000723261 [0,1,1,0,0,0|2,0,0]=4 2038 B13R1.355 C=C=Cc1cc(ccc1CO)OC 271570a_100015277604_100011982768 [0,1,1,0,0,0|2,0,0]=4 2039 B13R1.355 C=C=Cc1cc(ccc1OC)OC 271570a_100015277604_100011215452 [0,1,1,0,0,0|1,0,1]=4 2040 B13R1.355 C=CCc1cc(ccc1OC)OC 7a_200000185190_200000210301 [0,1,1,0,0,0|1,0,1]=4 2041 B13R1.355 C=CCc1cc(ccc1O[13CH3])OC 7a_200000185190_200025704644 [0,1,1,0,0,0|1,0,1]=4 2042 B13R1.355 CC=Cc1cc(ccc1C#N)OC 271570a_100016259895_100012355471 [0,1,1,0,0,0|2,0,0]=4 2043 B13R1.355 CC=Cc1cc(ccc1C=O)OC 271570a_100016259895_100000723261 [0,1,1,0,0,0|2,0,0]=4 2044 B13R1.355 CC=Cc1cc(ccc1CO)OC 271570a_100016259895_100011982768 [0,1,1,0,0,0|2,0,0]=4 2045 B13R1.355 CC=Cc1cc(ccc1OC)OC 271570a_100016259895_100011215452 [0,1,1,0,0,0|1,0,1]=4 2046 B13R1.386 C=Cc1cc(ccc1C=O)OCC 271570a_100011290941_200012721597 [0,1,1,0,0,0|2,0,0]=4 2047 B13R1.386 C=Cc1ccc(cc1C=O)OCC 271570a_100011290941_100012345016 [0,1,1,0,0,0|2,0,0]=4 2048 B13R1.434 C=Cc1cc(cc(c1C=O)F)OC 271570a_100011290941_200021118581 [0,1,1,0,0,0|2,0,0]=4 2049 B13R1.434 C=Cc1cc(cc(c1C=O)O)OC 271570a_100011290941_100010762613 [0,1,1,0,0,0|2,0,0]=4 2050 B13R1.434 C=Cc1cc(cc(c1OC)N)OC 271570a_100011290941_100010294495 [0,1,1,0,0,0|1,0,1]=4 2051 B13R1.434 C=Cc1cc(cc(c1OC)O)OC 271570a_100011290941_200020900881 [0,1,1,0,0,0|1,0,1]=4 2052 B13R1.1249 C=C=Cc1ccc(cc1C=O)OC 271570a_100015277604_100000691568 [0,1,1,0,0,0|2,0,0]=4 2053 B13R1.1249 C=Cc1cc(ccc1CC#N)OC 271570a_100011290941_100010146818 [0,1,1,0,0,0|1,0,1]=4 2054 B13R1.1249 CC=Cc1ccc(cc1C=O)OC 271570a_100016259895_100000691568 [0,1,1,0,0,0|2,0,0]=4 2055 B13R1.2200 C=Cc1cc(c(cc1C=O)O)OC 271570a_100011290941_100000183646 [0,1,1,0,0,0|2,0,0]=4 2056 B13R1.2200 C=Cc1cc(c(cc1C=O)OC)F 271570a_100011290941_100010366953 [0,1,1,0,0,0|2,0,0]=4 2057 B13R1.2200 C=Cc1cc(c(cc1C=O)OC)O 271570a_100011290941_100000741691 [0,1,1,0,0,0|2,0,0]=4 2058 B13R1.2200 C=Cc1cc(c(cc1OC)Br)OC 271570a_100011290941_100013799044 [0,1,1,0,0,0|1,0,1]=4 2059 B13R1.2200 C=Cc1cc(c(cc1OC)C)OC 271570a_100011290941_100000039368 [0,1,1,0,0,0|1,0,1]=4 2060 B13R1.2200 C=Cc1cc(c(cc1OC)Cl)OC 271570a_100011290941_100000023288 [0,1,1,0,0,0|1,0,1]=4 2061 B13R1.2200 C=Cc1cc(c(cc1OC)O)OC 271570a_100011290941_100009816818 [0,1,1,0,0,0|1,0,1]=4 2062 B13R1.2422 C=Cc1c(ccc(c1F)OC)OC 271570a_100011290941_200016180952 [0,1,1,0,0,0|1,0,1]=4 2063 B13R1.2422 C=Cc1ccc(c(c1C=O)F)OC 271570a_100011290941_100010204294 [0,1,1,0,0,0|2,0,0]=4 2064 B13R1.2422 C=Cc1ccc(c(c1C=O)O)OC 271570a_100011290941_100009813834 [0,1,1,0,0,0|2,0,0]=4 2065 B13R1.2430 C=C(C)c1cc(ccc1C#N)OC 271570a_100000694244_100012355471 [0,1,1,0,0,0|2,0,0]=4 2066 B13R1.2430 C=C(C)c1cc(ccc1C=O)OC 271570a_100000694244_100000723261 [0,1,1,0,0,0|2,0,0]=4 2067 B13R1.2430 C=C(C)c1cc(ccc1CO)OC 271570a_100000694244_100011982768 [0,1,1,0,0,0|2,0,0]=4 2068 B13R1.2430 C=C(C)c1cc(ccc1OC)OC 271570a_100000694244_100011215452 [0,1,1,0,0,0|1,0,1]=4 2069 B13R1.2430 C=Cc1ccc(cc1C(=O)C)OC 271570a_100011290941_100011360761 [0,1,1,0,0,0|1,0,1]=4 2070 B13R1.2430 C=Cc1ccc(cc1C(=O)N)OC 271570a_100011290941_100000162014 [0,1,1,0,0,0|2,0,0]=4 2071 B13R1.84 CCCC=Cc1cccnc1C=O 271570a_100016258520_100011934733 [0,1,1,0,0,0|2,0,0]=4 2072 B13R1.84 CCOC=Cc1ccccc1C=O 271570a_100016256518_100000211189 [0,1,1,0,0,0|2,0,0]=4 2073 B13R1.84 CCOC=Cc1cccnc1C#N 271570a_100016256518_100000685805 [0,1,1,0,0,0|1,0,1]=4 2074 B13R1.84 CCOC=Cc1cccnc1C=O 271570a_100016256518_100011934733 [0,1,1,0,0,0|1,0,0]=3 2075 B13R1.84 CCOC=Cc1cccnc1CC 271570a_100016256518_100009877225 [0,1,1,0,0,0|0,0,2]=4 2076 B13R1.84 CCOC=Cc1cccnc1CN 271570a_100016256518_100020591323 [0,1,1,0,0,0|1,0,1]=4 2077 B13R1.84 CCOC=Cc1cccnc1CO 271570a_100016256518_100011996772 [0,1,1,0,0,0|1,0,1]=4 2078 B13R1.84 CCOC=Cc1cccnc1NC 271570a_100016256518_100000700899 [0,1,1,0,0,0|1,0,1]=4 2079 B13R1.84 CCOC=Cc1cccnc1NN 271570a_100016256518_100011464834 [0,1,1,0,0,0|2,0,0]=4 2080 B13R1.84 CCOC=Cc1cccnc1OC 271570a_100016256518_100000047025 [0,1,1,0,0,0|1,0,1]=4 2081 B13R1.84 CCOC=Cc1cccnc1SC 271570a_100016256518_100011465278 [0,1,1,0,0,0|1,0,1]=4 2082 B13R1.84 CCc1ncccc1C=CCOC 271570a_100016286323_100009877225 [0,1,1,0,0,0|0,0,2]=4 2083 B13R1.84 CNc1ncccc1C=CCOC 271570a_100016286323_100000700899 [0,1,1,0,0,0|1,0,1]=4 2084 B13R1.84 COCC=Cc1ccccc1C=O 271570a_100016286323_100000211189 [0,1,1,0,0,0|2,0,0]=4 2085 B13R1.84 COCC=Cc1cccnc1C#N 271570a_100016286323_100000685805 [0,1,1,0,0,0|1,0,1]=4 2086 B13R1.84 COCC=Cc1cccnc1C=O 271570a_100016286323_100011934733 [0,1,1,0,0,0|1,0,0]=3 2087 B13R1.84 COCC=Cc1cccnc1CN 271570a_100016286323_100020591323 [0,1,1,0,0,0|1,0,1]=4 2088 B13R1.84 COCC=Cc1cccnc1CO 271570a_100016286323_100011996772 [0,1,1,0,0,0|1,0,1]=4 2089 B13R1.84 COCC=Cc1cccnc1NN 271570a_100016286323_100011464834 [0,1,1,0,0,0|2,0,0]=4 2090 B13R1.84 COCC=Cc1cccnc1OC 271570a_100016286323_100000047025 [0,1,1,0,0,0|1,0,1]=4 2091 B13R1.84 COCC=Cc1cccnc1SC 271570a_100016286323_100011465278 [0,1,1,0,0,0|1,0,1]=4 2092 B13R1.90 CC(C)C=Cc1cccnc1C=O 271570a_100016257149_100011934733 [0,1,1,0,0,0|2,0,0]=4 2093 B13R1.90 CC(O)C=Cc1cccnc1C=O 271570a_200011019289_100011934733 [0,1,1,0,0,0|2,0,0]=4 2094 B13R1.91 C=Cc1ccccc1CC(=O)OC 271570a_100011290941_100000699816 [0,1,1,0,0,0|1,0,1]=4 2095 B13R1.91 C=Cc1ccccc1NC(=O)OC 271570a_100011290941_100000216184 [0,1,1,0,0,0|2,0,0]=4 2096 B13R1.91 C=Cc1ncccc1CC(=O)OC 271570a_100011290941_100010293180 [0,1,1,0,0,0|0,0,1]=3 2097 B13R1.464 C=Cc1ncccc1C(=O)NCC 271570a_100011290941_100000160120 [0,1,1,0,0,0|2,0,0]=4 2098 B13R1.464 C=Cc1ncccc1C(=O)OCC 271570a_100011290941_100000170124 [0,1,1,0,0,0|2,0,0]=4 2099 B13R1.485 C=C=Cc1ncccc1OCOC 271570a_100015277604_100011935308 [0,1,1,0,0,0|1,0,1]=4 2100 B13R1.485 CC=Cc1ncccc1OCOC 271570a_100016259895_100011935308 [0,1,1,0,0,0|1,0,1]=4 2101 B13R1.572 C=C(C)c1ncccc1OCOC 271570a_100000694244_100011935308 [0,1,1,0,0,0|1,0,1]=4 2102 B13R1.16 COCC=Cc1nccc(c1C)C 271570a_100016286323_100009847204 [0,1,1,0,0,0|0,0,2]=4 2103 B13R1.16 COCC=Cc1nccc(c1C)F 271570a_100016286323_100009846374 [0,1,1,0,0,0|0,0,2]=4 2104 B13R1.16 COCC=Cc1nccc(c1C)N 271570a_100016286323_100009980296 [0,1,1,0,0,0|0,0,2]=4 2105 B13R1.16 COCC=Cc1nccc(c1F)C 271570a_100016286323_100009817629 [0,1,1,0,0,0|1,0,1]=4 2106 B13R1.16 COCC=Cc1nccc(c1F)N 271570a_100016286323_100015205195 [0,1,1,0,0,0|1,0,1]=4 2107 B13R1.16 COCC=Cc1nccc(c1F)O 271570a_100016286323_100009876375 [0,1,1,0,0,0|1,0,1]=4 2108 B13R1.16 COCC=Cc1nccc(c1N)C 271570a_100016286323_100000763560 [0,1,1,0,0,0|1,0,1]=4 2109 B13R1.16 COCC=Cc1nccc(c1N)N 271570a_100016286323_100000085203 [0,1,1,0,0,0|1,0,1]=4 2110 B13R1.16 COCC=Cc1nccc(c1N)O 271570a_100016286323_100000128729 [0,1,1,0,0,0|1,0,1]=4 2111 B13R1.16 COCC=Cc1nccc(c1O)C 271570a_100016286323_100000696282 [0,1,1,0,0,0|1,0,1]=4 2112 B13R1.16 COCC=Cc1nccc(c1O)F 271570a_100016286323_100009867227 [0,1,1,0,0,0|1,0,1]=4 2113 B13R1.369 COCC=Cc1ncc(cc1Br)Cl 271570a_100016286323_100012154958 [0,1,1,0,0,0|1,0,1]=4 2114 B13R1.369 COCC=Cc1ncc(cc1C)Br 271570a_100016286323_100012353652 [0,1,1,0,0,0|0,0,2]=4 2115 B13R1.369 COCC=Cc1ncc(cc1C)C 271570a_100016286323_100009864548 [0,1,1,0,0,0|0,0,2]=4 2116 B13R1.369 COCC=Cc1ncc(cc1C)F 271570a_100016286323_100009817009 [0,1,1,0,0,0|0,0,2]=4 2117 B13R1.369 COCC=Cc1ncc(cc1C)N 271570a_100016286323_100000761747 [0,1,1,0,0,0|0,0,2]=4 2118 B13R1.369 COCC=Cc1ncc(cc1C)O 271570a_100016286323_100012000486 [0,1,1,0,0,0|0,0,2]=4 2119 B13R1.369 COCC=Cc1ncc(cc1F)Br 271570a_100016286323_100012348576 [0,1,1,0,0,0|1,0,1]=4 2120 B13R1.369 COCC=Cc1ncc(cc1F)C 271570a_100016286323_100009819633 [0,1,1,0,0,0|1,0,1]=4 2121 B13R1.369 COCC=Cc1ncc(cc1F)Cl 271570a_100016286323_100012348686 [0,1,1,0,0,0|1,0,1]=4 2122 B13R1.369 COCC=Cc1ncc(cc1F)F 271570a_100016286323_100011219543 [0,1,1,0,0,0|1,0,1]=4 2123 B13R1.369 COCC=Cc1ncc(cc1F)N 271570a_100016286323_100010280766 [0,1,1,0,0,0|1,0,1]=4 2124 B13R1.369 COCC=Cc1ncc(cc1F)O 271570a_100016286323_100000063512 [0,1,1,0,0,0|1,0,1]=4 2125 B13R1.369 COCC=Cc1ncc(cc1N)Br 271570a_100016286323_100010090555 [0,1,1,0,0,0|1,0,1]=4 2126 B13R1.369 COCC=Cc1ncc(cc1N)C 271570a_100016286323_100000733613 [0,1,1,0,0,0|1,0,1]=4 2127 B13R1.369 COCC=Cc1ncc(cc1N)F 271570a_100016286323_100009817643 [0,1,1,0,0,0|1,0,1]=4 2128 B13R1.369 COCC=Cc1ncc(cc1N)N 271570a_100016286323_200000093520 [0,1,1,0,0,0|1,0,1]=4 2129 B13R1.369 COCC=Cc1ncc(cc1O)Br 271570a_100016286323_100010210634 [0,1,1,0,0,0|1,0,1]=4 2130 B13R1.369 COCC=Cc1ncc(cc1O)C 271570a_100016286323_100012000487 [0,1,1,0,0,0|1,0,1]=4 2131 B13R1.369 COCC=Cc1ncc(cc1O)Cl 271570a_100016286323_100010233512 [0,1,1,0,0,0|1,0,1]=4 2132 B13R1.369 COCC=Cc1ncc(cc1O)F 271570a_100016286323_100000079967 [0,1,1,0,0,0|1,0,1]=4 2133 B13R1.656 COCC=Cc1nc(ccc1Br)N 271570a_100016286323_100010192275 [0,1,1,0,0,0|1,0,1]=4 2134 B13R1.656 COCC=Cc1nc(ccc1C)C 271570a_100016286323_100009854376 [0,1,1,0,0,0|0,0,2]=4 2135 B13R1.656 COCC=Cc1nc(ccc1C)N 271570a_100016286323_100000126722 [0,1,1,0,0,0|0,0,2]=4 2136 B13R1.656 COCC=Cc1nc(ccc1F)C 271570a_100016286323_100009817602 [0,1,1,0,0,0|1,0,1]=4 2137 B13R1.656 COCC=Cc1nc(ccc1F)Cl 271570a_100016286323_100010136221 [0,1,1,0,0,0|1,0,1]=4 2138 B13R1.656 COCC=Cc1nc(ccc1F)F 271570a_100016286323_100010997973 [0,1,1,0,0,0|1,0,1]=4 2139 B13R1.656 COCC=Cc1nc(ccc1F)N 271570a_100016286323_100010892222 [0,1,1,0,0,0|1,0,1]=4 2140 B13R1.656 COCC=Cc1nc(ccc1N)Br 271570a_100016286323_100010168765 [0,1,1,0,0,0|1,0,1]=4 2141 B13R1.656 COCC=Cc1nc(ccc1N)C 271570a_100016286323_100000685570 [0,1,1,0,0,0|1,0,1]=4 2142 B13R1.656 COCC=Cc1nc(ccc1N)Cl 271570a_100016286323_100010233647 [0,1,1,0,0,0|1,0,1]=4 2143 B13R1.656 COCC=Cc1nc(ccc1N)F 271570a_100016286323_100009879877 [0,1,1,0,0,0|1,0,1]=4 2144 B13R1.656 COCC=Cc1nc(ccc1N)N 271570a_100016286323_200009884323 [0,1,1,0,0,0|1,0,1]=4 2145 B13R1.656 COCC=Cc1nc(ccc1O)Br 271570a_100016286323_100010253912 [0,1,1,0,0,0|1,0,1]=4 2146 B13R1.656 COCC=Cc1nc(ccc1O)C 271570a_100016286323_100000702858 [0,1,1,0,0,0|1,0,1]=4 2147 B13R1.656 COCC=Cc1nc(ccc1O)Cl 271570a_100016286323_100000696390 [0,1,1,0,0,0|1,0,1]=4 2148 B13R1.656 COCC=Cc1nc(ccc1O)F 271570a_100016286323_100010382442 [0,1,1,0,0,0|1,0,1]=4 2149 B13R1.97 COc1ccc(c(c1)C=C(C)C)Br 271570a_100102525489_100009992028 [0,1,1,0,0,0|1,0,1]=4 2150 B13R1.97 COc1ccc(c(c1)C=C(C)C)C 271570a_100102525489_100012349166 [0,1,1,0,0,0|1,0,1]=4 2151 B13R1.97 COc1ccc(c(c1)C=C(C)C)Cl 271570a_100102525489_100011356938 [0,1,1,0,0,0|1,0,1]=4 2152 B13R1.97 COc1ccc(c(c1)C=C(C)C)F 271570a_100102525489_100000699733 [0,1,1,0,0,0|1,0,1]=4 2153 B13R1.97 COc1ccc(c(c1)C=C(C)C)N 271570a_100102525489_100015195136 [0,1,1,0,0,0|0,0,2]=4 2154 B13R1.97 COc1ccc(c(c1)C=C(C)C)O 271570a_100102525489_100000685887 [0,1,1,0,0,0|1,0,1]=4 2155 B13R1.384 C=C=Cc1cc(ccc1C)COC 271570a_100015277604_200015395492 [0,1,1,0,0,0|1,0,1]=4 2156 B13R1.384 C=C=Cc1cc(ccc1C)OCC 271570a_100015277604_100011099959 [0,1,1,0,0,0|1,0,1]=4 2157 B13R1.384 C=C=Cc1cc(ccc1F)COC 271570a_100015277604_200011493689 [0,1,1,0,0,0|1,0,1]=4 2158 B13R1.384 CC=Cc1cc(ccc1C)COC 271570a_100016259895_200015395492 [0,1,1,0,0,0|1,0,1]=4 2159 B13R1.384 CC=Cc1cc(ccc1C)OCC 271570a_100016259895_100011099959 [0,1,1,0,0,0|1,0,1]=4 2160 B13R1.384 CC=Cc1cc(ccc1F)COC 271570a_100016259895_200011493689 [0,1,1,0,0,0|1,0,1]=4 2161 B13R1.558 C=CCNc1cc(ccc1Br)OC 34a_100000748603_100015514636 [0,1,1,0,0,0|1,0,1]=4 2162 B13R1.558 C=CCNc1cc(ccc1C)OC 2230a_100000760359_100000210623 [0,1,1,0,0,0|1,0,1]=4 2163 B13R1.558 C=CCNc1cc(ccc1C)OC 34a_100000760359_100015514636 [0,1,1,0,0,0|1,0,1]=4 2164 B13R1.558 C=CCNc1cc(ccc1Cl)OC 34a_100000745576_100015514636 [0,1,1,0,0,0|1,0,1]=4 2165 B13R1.558 C=CCNc1cc(ccc1F)OC 34a_100000764331_100015514636 [0,1,1,0,0,0|1,0,1]=4 2166 B13R1.558 C=CCNc1cc(ccc1I)OC 34a_100000748021_100015514636 [0,1,1,0,0,0|1,0,1]=4 2167 B13R1.558 C=CCNc1cc(ccc1O)OC 34a_100000188146_100015514636 [0,1,1,0,0,0|1,0,1]=4 2168 B13R1.558 C=CCOc1cc(ccc1Br)OC 34a_100000719091_100015514636 [0,1,1,0,0,0|1,0,1]=4 2169 B13R1.558 C=CCOc1cc(ccc1Br)OC 7a_100000719091_100015514636 [0,1,1,0,0,0|1,0,1]=4 2170 B13R1.558 C=CCOc1cc(ccc1C)OC 34a_100012179981_100015514636 [0,1,1,0,0,0|1,0,1]=4 2171 B13R1.558 C=CCOc1cc(ccc1C)OC 7a_100012179981_100015514636 [0,1,1,0,0,0|1,0,1]=4 2172 B13R1.558 C=CCOc1cc(ccc1Cl)OC 34a_100011516019_100015514636 [0,1,1,0,0,0|1,0,1]=4 2173 B13R1.558 C=CCOc1cc(ccc1Cl)OC 7a_100011516019_100015514636 [0,1,1,0,0,0|1,0,1]=4 2174 B13R1.558 C=CCOc1cc(ccc1F)OC 34a_100012178750_100015514636 [0,1,1,0,0,0|1,0,1]=4 2175 B13R1.558 C=CCOc1cc(ccc1F)OC 7a_100012178750_100015514636 [0,1,1,0,0,0|1,0,1]=4 2176 B13R1.558 C=CCOc1cc(ccc1I)OC 34a_100010168831_100015514636 [0,1,1,0,0,0|1,0,1]=4 2177 B13R1.558 C=CCOc1cc(ccc1I)OC 7a_100010168831_100015514636 [0,1,1,0,0,0|1,0,1]=4 2178 B13R1.558 C=CCOc1cc(ccc1N)OC 34a_100016989039_100015514636 [0,1,1,0,0,0|0,0,2]=4 2179 B13R1.558 C=CCOc1cc(ccc1N)OC 7a_100016989039_100015514636 [0,1,1,0,0,0|0,0,2]=4 2180 B13R1.558 C=CCSc1cc(ccc1Br)OC 62a_100000210623_100009992028 [0,1,1,0,0,0|1,0,1]=4 2181 B13R1.558 C=CCSc1cc(ccc1Br)OC 62a_100009992028_100000210623 [0,1,1,0,0,0|1,0,1]=4 2182 B13R1.558 C=CCSc1cc(ccc1C)OC 62a_100000210623_100012349166 [0,1,1,0,0,0|1,0,1]=4 2183 B13R1.558 C=CCSc1cc(ccc1C)OC 62a_100012349166_100000210623 [0,1,1,0,0,0|1,0,1]=4 2184 B13R1.558 C=CCSc1cc(ccc1Cl)OC 62a_100000210623_100011356938 [0,1,1,0,0,0|1,0,1]=4 2185 B13R1.558 C=CCSc1cc(ccc1Cl)OC 62a_100011356938_100000210623 [0,1,1,0,0,0|1,0,1]=4 2186 B13R1.558 C=CCSc1cc(ccc1F)OC 62a_100000210623_100000699733 [0,1,1,0,0,0|1,0,1]=4 2187 B13R1.558 C=CCSc1cc(ccc1F)OC 62a_100000699733_100000210623 [0,1,1,0,0,0|1,0,1]=4 2188 B13R1.558 C=CCSc1cc(ccc1N)OC 62a_100000210623_100015195136 [0,1,1,0,0,0|0,0,2]=4 2189 B13R1.558 C=CCSc1cc(ccc1N)OC 62a_100015195136_100000210623 [0,1,1,0,0,0|0,0,2]=4 2190 B13R1.558 C=CCSc1cc(ccc1O)OC 62a_100000210623_100000685887 [0,1,1,0,0,0|1,0,1]=4 2191 B13R1.2900 C=C=Cc1cc(c(cc1Br)Br)OC 271570a_100015277604_200014006352 [0,1,1,0,0,0|1,0,1]=4 2192 B13R1.2900 C=C=Cc1cc(c(cc1C)F)OC 271570a_100015277604_100011009880 [0,1,1,0,0,0|1,0,1]=4 2193 B13R1.2900 C=C=Cc1cc(c(cc1C)N)OC 271570a_100015277604_100010141321 [0,1,1,0,0,0|1,0,1]=4 2194 B13R1.2900 C=C=Cc1cc(c(cc1F)Cl)OC 271570a_100015277604_100010739614 [0,1,1,0,0,0|1,0,1]=4 2195 B13R1.2900 C=C=Cc1cc(c(cc1F)F)OC 271570a_100015277604_200015541288 [0,1,1,0,0,0|1,0,1]=4 2196 B13R1.2900 C=C=Cc1cc(c(cc1F)N)OC 271570a_100015277604_100012766639 [0,1,1,0,0,0|1,0,1]=4 2197 B13R1.2900 C=C=Cc1cc(c(cc1F)O)OC 271570a_100015277604_100010189133 [0,1,1,0,0,0|1,0,1]=4 2198 B13R1.2900 C=C=Cc1cc(c(cc1N)C)OC 271570a_100015277604_200010584344 [0,1,1,0,0,0|0,0,2]=4 2199 B13R1.2900 C=C=Cc1cc(c(cc1N)F)OC 271570a_100015277604_100010365326 [0,1,1,0,0,0|0,0,2]=4 2200 B13R1.2900 CC=Cc1cc(c(cc1Br)Br)OC 271570a_100016259895_200014006352 [0,1,1,0,0,0|1,0,1]=4 2201 B13R1.2900 CC=Cc1cc(c(cc1C)F)OC 271570a_100016259895_100011009880 [0,1,1,0,0,0|1,0,1]=4 2202 B13R1.2900 CC=Cc1cc(c(cc1C)N)OC 271570a_100016259895_100010141321 [0,1,1,0,0,0|1,0,1]=4 2203 B13R1.2900 CC=Cc1cc(c(cc1F)Cl)OC 271570a_100016259895_100010739614 [0,1,1,0,0,0|1,0,1]=4 2204 B13R1.2900 CC=Cc1cc(c(cc1F)F)OC 271570a_100016259895_200015541288 [0,1,1,0,0,0|1,0,1]=4 2205 B13R1.2900 CC=Cc1cc(c(cc1F)N)OC 271570a_100016259895_100012766639 [0,1,1,0,0,0|1,0,1]=4 2206 B13R1.2900 CC=Cc1cc(c(cc1F)O)OC 271570a_100016259895_100010189133 [0,1,1,0,0,0|1,0,1]=4 2207 B13R1.2900 CC=Cc1cc(c(cc1N)C)OC 271570a_100016259895_200010584344 [0,1,1,0,0,0|0,0,2]=4 2208 B13R1.2900 CC=Cc1cc(c(cc1N)F)OC 271570a_100016259895_100010365326 [0,1,1,0,0,0|0,0,2]=4 2209 B13R1.3981 C=C=Cc1cc(cc(c1N)C)OC 271570a_100015277604_200011010636 [0,1,1,0,0,0|0,0,2]=4 2210 B13R1.3981 C=C=Cc1cc(cc(c1N)N)OC 271570a_100015277604_100010194281 [0,1,1,0,0,0|0,0,2]=4 2211 B13R1.3981 C=C=Cc1cc(cc(c1O)N)OC 271570a_100015277604_200010008348 [0,1,1,0,0,0|1,0,1]=4 2212 B13R1.3981 CC=Cc1cc(cc(c1N)C)OC 271570a_100016259895_200011010636 [0,1,1,0,0,0|0,0,2]=4 2213 B13R1.3981 CC=Cc1cc(cc(c1N)N)OC 271570a_100016259895_100010194281 [0,1,1,0,0,0|0,0,2]=4 2214 B13R1.3981 CC=Cc1cc(cc(c1O)N)OC 271570a_100016259895_200010008348 [0,1,1,0,0,0|1,0,1]=4 2215 B13R1.4021 C=C=Cc1c(ccc(c1C)OC)C 271570a_100015277604_100016151084 [0,1,1,0,0,0|1,0,1]=4 2216 B13R1.4021 C=C=Cc1c(ccc(c1F)OC)F 271570a_100015277604_100010946477 [0,1,1,0,0,0|1,0,1]=4 2217 B13R1.4021 CC=Cc1c(ccc(c1C)OC)C 271570a_100016259895_100016151084 [0,1,1,0,0,0|1,0,1]=4 2218 B13R1.4021 CC=Cc1c(ccc(c1F)OC)F 271570a_100016259895_100010946477 [0,1,1,0,0,0|1,0,1]=4 2219 B13R1.81 C=CC(=O)Cc1cccc(c1)OC 1458a_100000185746_100000211672 [0,1,1,0,0,0|1,0,1]=4 2220 B13R1.81 C=CC(=O)Nc1cccc(c1)OC 1626a_100000210024_100000185746 [0,1,1,0,0,0|2,0,0]=4 2221 B13R1.81 C=CC(=O)Nc1cccc(c1)OC 22a_100000210024_100000185746 [0,1,1,0,0,0|2,0,0]=4 2222 B13R1.81 C=CC(=O)Nc1cccc(c1)OC 34a_100011235909_200000210301 [0,1,1,0,0,0|2,0,0]=4 2223 B13R1.81 C=CC(=O)Nc1cccc(c1)OC 7a_100011235909_200000210301 [0,1,1,0,0,0|2,0,0]=4 2224 B13R1.81 C=CC(=O)Nc1cccc(c1)O[13CH3] 34a_100011235909_200025704644 [0,1,1,0,0,0|2,0,0]=4 2225 B13R1.81 C=CC(=O)Nc1cccc(c1)O[13CH3] 7a_100011235909_200025704644 [0,1,1,0,0,0|2,0,0]=4 2226 B13R1.460 C=CCC(=O)c1cccc(c1)OC 1458a_100000188888_100000210623 [0,1,1,0,0,0|1,0,1]=4 2227 B13R1.643 CC(=O)/C=C/c1cccc(c1)S[13CH3] 62a_200016266566_200025704644 [0,1,1,0,0,0|1,1,0]=4 2228 B13R1.643 CC(=O)/C=C/c1cccc(c1)S[13CH3] 62a_200025704644_200016266566 [0,1,1,0,0,0|1,1,0]=4 2229 B13R1.643 COc1cccc(c1)C=CC(C)C 271570a_100016257149_100000170001 [0,1,1,0,0,0|1,0,1]=4 2230 B13R1.643 COc1cccc(c1)C=CC(C)O 271570a_200011019289_100000170001 [0,1,1,0,0,0|1,0,1]=4 2231 B13R1.643 CSc1cccc(c1)/C=C/C(=O)C 62a_200000210301_200016266566 [0,1,1,0,0,0|1,1,0]=4 2232 B13R1.643 CSc1cccc(c1)/C=C/C(=O)C 62a_200016266566_200000210301 [0,1,1,0,0,0|1,1,0]=4 2233 B13R1.666 C/C=C/CNc1cccc(c1)OC 34a_100000210024_100102629194 [0,1,1,0,0,0|1,0,1]=4 2234 B13R1.666 C/C=C/COc1cccc(c1)OC 34a_100000211255_100102629194 [0,1,1,0,0,0|1,0,1]=4 2235 B13R1.666 C/C=C/COc1cccc(c1)OC 7a_100000211255_100102629194 [0,1,1,0,0,0|1,0,1]=4 2236 B13R1.666 C/C=C/CSc1cccc(c1)OC 62a_100102629194_100000170001 [0,1,1,0,0,0|1,0,1]=4 2237 B13R1.666 CC=CCNc1cccc(c1)OC 34a_100000210024_100000070051 [0,1,1,0,0,0|1,0,1]=4 2238 B13R1.666 CC=CCOc1cccc(c1)OC 34a_100000211255_100000070051 [0,1,1,0,0,0|1,0,1]=4 2239 B13R1.666 CC=CCOc1cccc(c1)OC 7a_100000211255_100000070051 [0,1,1,0,0,0|1,0,1]=4 2240 B13R1.666 CC=CCSc1cccc(c1)OC 62a_100000070051_100000170001 [0,1,1,0,0,0|1,0,1]=4 2241 B13R1.666 CCCC=Cc1cccc(c1)OC 271570a_100016258520_100000170001 [0,1,1,0,0,0|1,0,1]=4 2242 B13R1.666 CCOC=Cc1cccc(c1)OC 271570a_100016256518_100000170001 [0,1,1,0,0,0|1,0,1]=4 2243 B13R1.666 CNCC=Cc1cccc(c1)OC 270004a_106832991635_100102525843 [0,1,1,0,0,0|0,0,2]=4 2244 B13R1.666 COCC=Cc1cccc(c1)OC 271570a_100016286323_100000170001 [0,1,1,0,0,0|1,0,1]=4 2245 B13R2.32 Cc1c(ccc2c1cccc2)O 271570a_203496583355_100010221197 [1,1,0,0,0,0|1,0,0]=3 2246 B13R2.32 Cc1c(ccc2c1cccn2)O 271570a_203496583355_200010137439 [1,1,0,0,0,0|0,0,0]=2 2247 B13R2.32 Cc1c(ccc2c1nccc2)O 271570a_203496583355_100010214467 [1,1,0,0,0,0|2,0,0]=4 2248 B13R2.32 Cc1c(ccc2c1nccn2)O 271570a_203496583355_100135414757 [1,1,0,0,0,0|1,0,0]=3 2249 B13R2.32 Cc1ccc2ccccc2c1O 271570a_203496583355_100000759710 [1,1,0,0,0,0|1,0,0]=3 2250 B13R2.32 Cc1ccc2cnccc2c1O 271570a_203496583355_100010204589 [1,1,0,0,0,0|2,0,0]=4 2251 B13R2.32 Cc1cnc2ccccc2c1O 271570a_203496583355_100000092342 [1,1,0,0,0,0|2,0,0]=4 2252 B13R2.32 Nc1c(ccc2c1cccc2)O 271570a_203496583355_100009817101 [1,1,0,0,0,0|1,0,0]=3 2253 B13R2.32 Nc1c(ccc2c1cccn2)O 271570a_203496583355_200010235790 [1,1,0,0,0,0|0,0,0]=2 2254 B13R2.32 Nc1c(ccc2c1ccnc2)O 271570a_203496583355_100010191621 [1,1,0,0,0,0|2,0,0]=4 2255 B13R2.32 Nc1c(cnc2c1cccc2)O 271570a_203496583355_100009995562 [1,1,0,0,0,0|2,0,0]=4 2256 B13R2.32 Nc1c(ncc2c1cccc2)O 271570a_203496583355_100000087573 [1,1,0,0,0,0|2,0,0]=4 2257 B13R2.32 Nc1ccc2ccccc2c1O 271570a_203496583355_100000705303 [1,1,0,0,0,0|2,0,0]=4 2258 B13R2.32 Nc1ccc2ncccc2c1O 271570a_203496583355_200009995563 [1,1,0,0,0,0|1,0,0]=3 2259 B13R2.32 Nc1ccc2nccnc2c1O 271570a_203496583355_100000729981 [1,1,0,0,0,0|2,0,0]=4 2260 B13R2.32 O=c1c(c[nH]c2c1cccc2)O 271570a_203496583355_100012339567 [1,1,0,0,0,0|2,0,0]=4 2261 B13R2.32 O=c1c(coc2c1cccc2)O 271570a_203496583355_100009813851 [1,1,0,0,0,0|2,0,0]=4 2262 B13R2.32 Oc1c(ccc2c1cccc2)Br 271570a_203496583355_100010090040 [1,1,0,0,0,0|2,0,0]=4 2263 B13R2.32 Oc1ccc2ccccc2c1Br 271570a_203496583355_200010089984 [1,1,0,0,0,0|1,0,0]=3 2264 B13R2.32 Oc1ccc2ccccc2c1F 271570a_203496583355_100009832041 [1,1,0,0,0,0|1,0,0]=3 2265 B13R2.32 Oc1ccc2ccccc2c1O 271570a_203496583355_100000183829 [1,1,0,0,0,0|1,0,0]=3 2266 B13R2.32 Oc1ccc2ccccc2c1O 271570a_203496583355_100009996032 [1,1,0,0,0,0|1,0,0]=3 2267 B13R2.32 Oc1ccc2cccnc2c1F 271570a_203496583355_100010751467 [1,1,0,0,0,0|2,0,0]=4 2268 B13R2.32 Oc1ccc2cccnc2c1O 271570a_203496583355_100009816563 [1,1,0,0,0,0|2,0,0]=4 2269 B13R2.32 Oc1ccc2cccnc2c1O 271570a_203496583355_100010173343 [1,1,0,0,0,0|2,0,0]=4 2270 B13R2.32 Oc1ccc2ccncc2c1O 271570a_203496583355_200010115057 [1,1,0,0,0,0|2,0,0]=4 2271 B13R2.32 Oc1cnc2ccccc2c1Cl 271570a_203496583355_100012352519 [1,1,0,0,0,0|2,0,0]=4 2272 B13R2.155 Cc1ccc2ccc(cc2n1)O 271570a_203496583355_100009817087 [1,1,0,0,0,0|2,0,0]=4 2273 B13R2.155 Cc1ccc2ncc(cc2c1)O 271570a_203496583355_100015841224 [1,1,0,0,0,0|0,0,0]=2 2274 B13R2.155 Cc1cnc2ccc(cc2c1)O 271570a_203496583355_100009817055 [1,1,0,0,0,0|0,0,0]=2 2275 B13R2.155 Nc1cc2cc(ccc2cn1)O 271570a_203496583355_100009817123 [1,1,0,0,0,0|2,0,0]=4 2276 B13R2.155 Nc1ccc2ccc(cc2c1)O 271570a_203496583355_100010090036 [1,1,0,0,0,0|1,0,0]=3 2277 B13R2.155 Nc1ccc2ccc(cc2n1)O 271570a_203496583355_100010187616 [1,1,0,0,0,0|2,0,0]=4 2278 B13R2.155 Nc1ccc2ncc(cc2c1)O 271570a_203496583355_100009888932 [1,1,0,0,0,0|1,0,0]=3 2279 B13R2.155 Nc1cnc2ccc(cc2n1)O 271570a_203496583355_100010090528 [1,1,0,0,0,0|1,0,0]=3 2280 B13R2.155 O=c1ccc2ccc(cc2o1)O 271570a_203496583355_100009993525 [1,1,0,0,0,0|2,0,0]=4 2281 B13R2.155 Oc1cc2cc(ccc2cn1)F 271570a_203496583355_100009828686 [1,1,0,0,0,0|2,0,0]=4 2282 B13R2.155 Oc1ccc2ccc(cc2c1)O 271570a_203496583355_100009816537 [1,1,0,0,0,0|1,0,0]=3 2283 B13R2.155 Oc1ccc2ccc(nc2c1)O 271570a_203496583355_100000079174 [1,1,0,0,0,0|2,0,0]=4 2284 B13R2.155 Oc1ccc2ccc(nc2c1)O 271570a_203496583355_100000690401 [1,1,0,0,0,0|2,0,0]=4 2285 B13R2.155 Oc1ccc2cnc(cc2c1)F 271570a_203496583355_100010291885 [1,1,0,0,0,0|2,0,0]=4 2286 B13R2.155 Oc1ccc2cnc(cc2c1)O 271570a_203496583355_100009817130 [1,1,0,0,0,0|2,0,0]=4 2287 B13R2.155 Oc1ccc2ncc(cc2c1)Br 271570a_203496583355_200010254249 [1,1,0,0,0,0|0,0,0]=2 2288 B13R2.155 Oc1ccc2ncc(cc2c1)O 271570a_203496583355_100000703654 [1,1,0,0,0,0|0,0,0]=2 2289 B13R2.155 Oc1ccc2ncc(cc2c1)O 271570a_203496583355_100010137430 [1,1,0,0,0,0|0,0,0]=2 2290 B13R2.155 Oc1ccc2ncc(cc2n1)F 271570a_203496583355_100009889179 [1,1,0,0,0,0|1,0,0]=3 2291 B13R2.155 Oc1ccc2ncc(nc2c1)O 271570a_203496583355_100010000190 [1,1,0,0,0,0|1,0,0]=3 2292 B13R2.155 Oc1ccc2ncc(nc2c1)O 271570a_203496583355_200020640061 [1,1,0,0,0,0|1,0,0]=3 2293 B13R2.155 Oc1cnc2ccc(cc2c1)Br 271570a_203496583355_100010740133 [1,1,0,0,0,0|1,0,0]=3 2294 B13R2.155 Oc1cnc2ccc(cc2c1)Cl 271570a_203496583355_100015929906 [1,1,0,0,0,0|1,0,0]=3 2295 B13R2.155 Oc1cnc2ccc(nc2c1)O 271570a_203496583355_100010009477 [1,1,0,0,0,0|1,0,0]=3 2296 B13R2.155 [O-][n+]1ccc2ccc(cc2c1)O 271570a_203496583355_100009816120 [1,1,0,0,0,0|2,0,0]=4 2297 B13R2.162 Cc1ccc2cccc(c2n1)O 271570a_203496583355_100011934484 [1,1,0,0,0,0|2,0,0]=4 2298 B13R2.162 Cc1ccc2cncc(c2c1)O 271570a_203496583355_100009817139 [1,1,0,0,0,0|2,0,0]=4 2299 B13R2.162 Cc1ccc2nccc(c2c1)O 271570a_203496583355_100000751279 [1,1,0,0,0,0|0,0,0]=2 2300 B13R2.162 Cc1ccc2nccc(c2n1)O 271570a_203496583355_100009889967 [1,1,0,0,0,0|1,0,0]=3 2301 B13R2.162 Cc1ccc2ncnc(c2c1)O 271570a_203496583355_100000743341 [1,1,0,0,0,0|1,0,0]=3 2302 B13R2.162 Cc1cccc2c1cc(cc2)O 271570a_203496583355_100010089936 [1,1,0,0,0,0|1,0,0]=3 2303 B13R2.162 Cc1cccc2c1nc(cc2)O 271570a_203496583355_100012002297 [1,1,0,0,0,0|2,0,0]=4 2304 B13R2.162 Cc1ccnc2c1cc(cc2)O 271570a_203496583355_100009817033 [1,1,0,0,0,0|0,0,0]=2 2305 B13R2.162 Cc1nccc2c1cc(cc2)O 271570a_203496583355_200010739692 [1,1,0,0,0,0|2,0,0]=4 2306 B13R2.162 Cc1ncnc2c1cc(cc2)O 271570a_203496583355_100000700471 [1,1,0,0,0,0|1,0,0]=3 2307 B13R2.162 Nc1ccc2nccc(c2c1)O 271570a_203496583355_100009879071 [1,1,0,0,0,0|1,0,0]=3 2308 B13R2.162 Nc1cccc2c1cc(cc2)O 271570a_203496583355_100010090012 [1,1,0,0,0,0|1,0,0]=3 2309 B13R2.162 Nc1cccc2c1cc(cn2)O 271570a_203496583355_100010264086 [1,1,0,0,0,0|2,0,0]=4 2310 B13R2.162 Nc1ccnc2c1cc(cc2)O 271570a_203496583355_100011620571 [1,1,0,0,0,0|0,0,0]=2 2311 B13R2.162 Nc1nccc2c1cc(cc2)O 271570a_203496583355_100012352255 [1,1,0,0,0,0|2,0,0]=4 2312 B13R2.162 Nc1ncnc2c1cc(cc2)O 271570a_203496583355_100011390335 [1,1,0,0,0,0|1,0,0]=3 2313 B13R2.162 Nc1ncnc2c1nc(cc2)O 271570a_203496583355_100011016601 [1,1,0,0,0,0|2,0,0]=4 2314 B13R2.162 O=c1[nH]cnc2c1cc(cc2)O 271570a_203496583355_100000755678 [1,1,0,0,0,0|1,0,0]=3 2315 B13R2.162 O=c1[nH]cnc2c1cc(cn2)O 271570a_203496583355_100010182796 [1,1,0,0,0,0|2,0,0]=4 2316 B13R2.162 O=c1[nH]cnc2c1cc(nc2)O 271570a_203496583355_100000101234 [1,1,0,0,0,0|2,0,0]=4 2317 B13R2.162 O=c1[nH]cnc2c1nc(cc2)O 271570a_203496583355_100000117605 [1,1,0,0,0,0|2,0,0]=4 2318 B13R2.162 O=c1cc[nH]c2c1cc(cc2)O 271570a_203496583355_100000746092 [1,1,0,0,0,0|0,0,1]=3 2319 B13R2.162 O=c1ccnc2n1cc(cc2)O 271570a_203496583355_100010178973 [1,1,0,0,0,0|1,0,0]=3 2320 B13R2.162 O=c1ccnc2n1nc(cc2)O 271570a_203496583355_100000086298 [1,1,0,0,0,0|2,0,0]=4 2321 B13R2.162 O=c1ccoc2c1cc(cc2)O 271570a_203496583355_100009813387 [1,1,0,0,0,0|1,0,0]=3 2322 B13R2.162 Oc1ccc2cccc(c2c1)O 271570a_203496583355_100010089991 [1,1,0,0,0,0|1,0,0]=3 2323 B13R2.162 Oc1ccc2cccc(c2c1)O 271570a_203496583355_100010169565 [1,1,0,0,0,0|1,0,0]=3 2324 B13R2.162 Oc1ccc2cccc(c2n1)F 271570a_203496583355_100012017632 [1,1,0,0,0,0|2,0,0]=4 2325 B13R2.162 Oc1ccc2cccc(c2n1)O 271570a_203496583355_100010153751 [1,1,0,0,0,0|2,0,0]=4 2326 B13R2.162 Oc1ccc2ccnc(c2c1)O 271570a_203496583355_100000010956 [1,1,0,0,0,0|2,0,0]=4 2327 B13R2.162 Oc1ccc2ccnc(c2c1)O 271570a_203496583355_200009844553 [1,1,0,0,0,0|2,0,0]=4 2328 B13R2.162 Oc1ccc2cncc(c2c1)O 271570a_203496583355_100010136424 [1,1,0,0,0,0|2,0,0]=4 2329 B13R2.162 Oc1ccc2nccc(c2c1)Cl 271570a_203496583355_100011310491 [1,1,0,0,0,0|0,0,0]=2 2330 B13R2.162 Oc1ccc2nccc(c2c1)O 271570a_203496583355_100000075933 [1,1,0,0,0,0|0,0,0]=2 2331 B13R2.162 Oc1ccc2ncnc(c2c1)Cl 271570a_203496583355_100000757566 [1,1,0,0,0,0|1,0,0]=3 2332 B13R2.162 Oc1ccc2nncc(c2c1)O 271570a_203496583355_100010074700 [1,1,0,0,0,0|1,0,0]=3 2333 B13R2.162 Oc1ccnc2c1cc(cc2)Br 271570a_203496583355_100010189052 [1,1,0,0,0,0|1,0,0]=3 2334 B13R2.162 Oc1ccnc2c1cc(cc2)F 271570a_203496583355_100011217270 [1,1,0,0,0,0|1,0,0]=3 2335 B13R2.162 Oc1ccnc2c1nc(cc2)F 271570a_203496583355_100000719316 [1,1,0,0,0,0|2,0,0]=4 2336 B13R2.162 Oc1cnc2cccc(c2c1)O 271570a_203496583355_200010153752 [1,1,0,0,0,0|2,0,0]=4 2337 B13R2.162 Oc1ncnc2c1cc(cc2)F 271570a_203496583355_100000743340 [1,1,0,0,0,0|2,0,0]=4 2338 B13R2.328 Cc1cc(c2ccccc2n1)O 271570a_203496583355_100000764982 [1,1,0,0,0,0|2,0,0]=4 2339 B13R2.328 Cc1cc(c2ncccc2c1)O 271570a_203496583355_100010113427 [1,1,0,0,0,0|0,0,0]=2 2340 B13R2.328 Cc1cc(cc2c1nccc2)O 271570a_203496583355_100010130319 [1,1,0,0,0,0|0,0,0]=2 2341 B13R2.328 Cc1cc(cc2c1nccn2)O 271570a_203496583355_100010080486 [1,1,0,0,0,0|1,0,0]=3 2342 B13R2.328 Cc1cc(nc2c1cccc2)O 271570a_203496583355_100012354972 [1,1,0,0,0,0|2,0,0]=4 2343 B13R2.328 Cc1cc2ccccc2c(n1)O 271570a_203496583355_100000698243 [1,1,0,0,0,0|2,0,0]=4 2344 B13R2.328 Nc1cc(c2ccccc2c1)O 271570a_203496583355_100010089974 [1,1,0,0,0,0|2,0,0]=4 2345 B13R2.328 Nc1cc(cc2c1cccc2)O 271570a_203496583355_100010171453 [1,1,0,0,0,0|1,0,0]=3 2346 B13R2.328 Nc1cc(cc2c1cccn2)O 271570a_203496583355_200010263263 [1,1,0,0,0,0|2,0,0]=4 2347 B13R2.328 Nc1cc(cc2c1nccc2)O 271570a_203496583355_100009814519 [1,1,0,0,0,0|0,0,0]=2 2348 B13R2.328 Nc1cc(nc2c1cccc2)O 271570a_203496583355_100010197925 [1,1,0,0,0,0|2,0,0]=4 2349 B13R2.328 Nc1cc2cccnc2c(n1)O 271570a_203496583355_100010205410 [1,1,0,0,0,0|2,0,0]=4 2350 B13R2.328 Nc1nc(cc2c1cccc2)O 271570a_203496583355_100009957331 [1,1,0,0,0,0|2,0,0]=4 2351 B13R2.328 O=c1cc([nH]c2c1cccc2)O 271570a_203496583355_100000090176 [1,1,0,0,0,0|2,0,0]=4 2352 B13R2.328 Oc1cc(c2ccccc2c1)O 271570a_203496583355_100010001680 [1,1,0,0,0,0|1,0,0]=3 2353 B13R2.328 Oc1cc(c2ccccc2c1)O 271570a_203496583355_100010089979 [1,1,0,0,0,0|1,0,0]=3 2354 B13R2.328 Oc1cc(c2cnccc2c1)F 271570a_203496583355_100011068762 [1,1,0,0,0,0|2,0,0]=4 2355 B13R2.328 Oc1cc(c2cnccc2c1)O 271570a_203496583355_100011009069 [1,1,0,0,0,0|2,0,0]=4 2356 B13R2.328 Oc1cc(c2ncccc2c1)Cl 271570a_203496583355_200010369337 [1,1,0,0,0,0|0,0,0]=2 2357 B13R2.328 Oc1cc(c2ncccc2c1)F 271570a_203496583355_100010234705 [1,1,0,0,0,0|0,0,0]=2 2358 B13R2.328 Oc1cc(c2ncccc2c1)O 271570a_203496583355_100010248853 [1,1,0,0,0,0|0,0,0]=2 2359 B13R2.328 Oc1cc(c2nccnc2c1)F 271570a_203496583355_100010079260 [1,1,0,0,0,0|1,0,0]=3 2360 B13R2.328 Oc1cc(cc2c1nccc2)Br 271570a_203496583355_100010090713 [1,1,0,0,0,0|1,0,0]=3 2361 B13R2.328 Oc1cc(cc2c1nccc2)F 271570a_203496583355_100010214460 [1,1,0,0,0,0|1,0,0]=3 2362 B13R2.328 Oc1cc(cc2c1nccn2)F 271570a_203496583355_100011083936 [1,1,0,0,0,0|2,0,0]=4 2363 B13R2.328 [O-][n+]1cc(cc2c1cccc2)O 271570a_203496583355_200010000521 [1,1,0,0,0,0|2,0,0]=4 2364 B13R2.369 Cc1cc2ccccc2nc1O 271570a_203496583355_100000751756 [1,1,0,0,0,0|2,0,0]=4 2365 B13R2.369 Cc1cc2cccnc2nc1O 271570a_203496583355_100009877248 [1,1,0,0,0,0|1,0,0]=3 2366 B13R2.369 Cc1cc2ncccc2cc1O 271570a_203496583355_100010137429 [1,1,0,0,0,0|0,0,0]=2 2367 B13R2.369 Cc1cc2nccnc2cc1O 271570a_203496583355_100010080479 [1,1,0,0,0,0|1,0,0]=3 2368 B13R2.369 Cc1nc2nccnc2cc1O 271570a_203496583355_100010212747 [1,1,0,0,0,0|2,0,0]=4 2369 B13R2.369 Nc1cc2ccccc2cc1O 271570a_203496583355_100009991566 [1,1,0,0,0,0|1,0,0]=3 2370 B13R2.369 Nc1nc2ccccc2cc1O 271570a_203496583355_100010135404 [1,1,0,0,0,0|2,0,0]=4 2371 B13R2.369 O=c1oc2ccccc2cc1O 271570a_203496583355_200000187772 [1,1,0,0,0,0|2,0,0]=4 2372 B13R2.369 Oc1cc2ccccc2cc1Br 271570a_203496583355_200010169544 [1,1,0,0,0,0|1,0,0]=3 2373 B13R2.369 Oc1cc2ccccc2cc1Cl 271570a_203496583355_100010152806 [1,1,0,0,0,0|1,0,0]=3 2374 B13R2.369 Oc1cc2ccccc2cc1O 271570a_203496583355_100009817189 [1,1,0,0,0,0|1,0,0]=3 2375 B13R2.369 Oc1cc2ccccc2nc1Cl 271570a_203496583355_100010220712 [1,1,0,0,0,0|2,0,0]=4 2376 B13R2.369 Oc1cc2ccccc2nc1F 271570a_203496583355_100011158909 [1,1,0,0,0,0|2,0,0]=4 2377 B13R2.369 Oc1cc2ccccc2nc1O 271570a_203496583355_200000100762 [1,1,0,0,0,0|2,0,0]=4 2378 B13R2.369 Oc1cc2ccccc2nc1O 271570a_203496583355_200009820883 [1,1,0,0,0,0|2,0,0]=4 2379 B13R2.369 Oc1cc2cccnc2cc1F 271570a_203496583355_100009854028 [1,1,0,0,0,0|0,0,0]=2 2380 B13R2.369 Oc1cc2cccnc2cc1O 271570a_203496583355_200010153759 [1,1,0,0,0,0|0,0,0]=2 2381 B13R2.369 Oc1cc2ccncc2cc1F 271570a_203496583355_100011105921 [1,1,0,0,0,0|2,0,0]=4 2382 B13R2.369 Oc1cc2cnccc2cc1F 271570a_203496583355_100010244713 [1,1,0,0,0,0|2,0,0]=4 2383 B13R2.369 Oc1cc2nccnc2cc1F 271570a_203496583355_100010080477 [1,1,0,0,0,0|1,0,0]=3 2384 B13R2.369 Oc1nc2ccccc2cc1Br 271570a_203496583355_100010072790 [1,1,0,0,0,0|2,0,0]=4 2385 B13R2.3683 C[n+]1ccc2cc(ccc2c1)O 271570a_203496583355_100015191232 [1,1,0,0,0,0|2,0,0]=4 2386 B13R2.3683 Cc1ccc2cc(ccc2n1)O 271570a_203496583355_100000686635 [1,1,0,0,0,0|0,0,0]=2 2387 B13R2.3683 Cc1ccc2nc(ccc2c1)O 271570a_203496583355_100011865911 [1,1,0,0,0,0|0,0,0]=2 2388 B13R2.3683 Cc1ccc2nc(ccc2n1)O 271570a_203496583355_200009884078 [1,1,0,0,0,0|1,0,0]=3 2389 B13R2.3683 Cc1cnc2cc(ccc2c1)O 271570a_203496583355_100010751441 [1,1,0,0,0,0|2,0,0]=4 2390 B13R2.3683 Nc1cc2ccc(cc2cn1)O 271570a_203496583355_100010232990 [1,1,0,0,0,0|2,0,0]=4 2391 B13R2.3683 Nc1ccc2cc(ccc2c1)O 271570a_203496583355_100000185457 [1,1,0,0,0,0|1,0,0]=3 2392 B13R2.3683 Nc1ccc2cc(ccc2n1)O 271570a_203496583355_100011934619 [1,1,0,0,0,0|0,0,0]=2 2393 B13R2.3683 Nc1ccc2cc(cnc2c1)O 271570a_203496583355_200010264087 [1,1,0,0,0,0|2,0,0]=4 2394 B13R2.3683 Nc1ccc2cc(cnc2n1)O 271570a_203496583355_100010214896 [1,1,0,0,0,0|1,0,0]=3 2395 B13R2.3683 Nc1ccc2nc(cnc2c1)O 271570a_203496583355_100009885871 [1,1,0,0,0,0|2,0,0]=4 2396 B13R2.3683 Nc1cnc2cc(ccc2c1)O 271570a_203496583355_100010142226 [1,1,0,0,0,0|2,0,0]=4 2397 B13R2.3683 Nc1ncc2cc(ccc2n1)O 271570a_203496583355_100010138702 [1,1,0,0,0,0|1,0,0]=3 2398 B13R2.3683 Nc1ncc2cc(cnc2n1)O 271570a_203496583355_200010063650 [1,1,0,0,0,0|2,0,0]=4 2399 B13R2.3683 O=c1ccc2cc(ccc2[nH]1)O 271570a_203496583355_100011934725 [1,1,0,0,0,0|0,0,1]=3 2400 B13R2.3683 O=c1ccc2cc(ccc2o1)O 271570a_203496583355_100009999946 [1,1,0,0,0,0|1,0,0]=3 2401 B13R2.3683 O=c1cnc2cc(ccc2[nH]1)O 271570a_203496583355_100010209493 [1,1,0,0,0,0|1,0,1]=4 2402 B13R2.3683 Oc1ccc2cc(ccc2c1)Br 271570a_203496583355_100012344972 [1,1,0,0,0,0|1,0,0]=3 2403 B13R2.3683 Oc1ccc2cc(ccc2c1)F 271570a_203496583355_100009817052 [1,1,0,0,0,0|1,0,0]=3 2404 B13R2.3683 Oc1ccc2cc(ccc2c1)O 271570a_203496583355_100000185455 [1,1,0,0,0,0|1,0,0]=3 2405 B13R2.3683 Oc1ccc2cc(ccc2n1)F 271570a_203496583355_100011998705 [1,1,0,0,0,0|1,0,0]=3 2406 B13R2.3683 Oc1ccc2cc(cnc2c1)Br 271570a_203496583355_200015509644 [1,1,0,0,0,0|2,0,0]=4 2407 B13R2.3683 Oc1ccc2cc(cnc2c1)F 271570a_203496583355_100010751466 [1,1,0,0,0,0|2,0,0]=4 2408 B13R2.3683 Oc1ccc2nc(ccc2c1)Cl 271570a_203496583355_200012034268 [1,1,0,0,0,0|0,0,0]=2 2409 B13R2.3683 Oc1ccc2nc(ccc2c1)O 271570a_203496583355_100009849208 [1,1,0,0,0,0|0,0,0]=2 2410 B13R2.3683 Oc1ccc2nc(cnc2c1)O 271570a_203496583355_200010664160 [1,1,0,0,0,0|1,0,0]=3 2411 B13R2.3683 Oc1cnc2cc(ccc2c1)Cl 271570a_203496583355_100015716233 [1,1,0,0,0,0|2,0,0]=4 2412 B13R2.3683 Oc1cnc2cc(ccc2c1)O 271570a_203496583355_200010153753 [1,1,0,0,0,0|2,0,0]=4 2413 B13R2.3683 Oc1cnc2cc(ccc2n1)F 271570a_203496583355_100000098432 [1,1,0,0,0,0|2,0,0]=4 2414 B13R2.3683 Oc1cnc2nc(ccc2c1)O 271570a_203496583355_100009814606 [1,1,0,0,0,0|1,0,0]=3 2415 B13R2.5179 Cc1ccc2c(cccc2n1)O 271570a_203496583355_100010173736 [1,1,0,0,0,0|2,0,0]=4 2416 B13R2.5179 Cc1ccc2c(nccc2c1)O 271570a_203496583355_100000102439 [1,1,0,0,0,0|2,0,0]=4 2417 B13R2.5179 Cc1cccc2c1ncc(c2)O 271570a_203496583355_100009829671 [1,1,0,0,0,0|2,0,0]=4 2418 B13R2.5179 Cc1ccnc2c1ccc(c2)O 271570a_203496583355_100010132309 [1,1,0,0,0,0|2,0,0]=4 2419 B13R2.5179 Nc1cccc2c1ccc(c2)O 271570a_203496583355_100010090037 [1,1,0,0,0,0|1,0,0]=3 2420 B13R2.5179 Nc1cccc2c1ncc(c2)O 271570a_203496583355_100000702407 [1,1,0,0,0,0|2,0,0]=4 2421 B13R2.5179 Nc1ccnc2c1ccc(c2)O 271570a_203496583355_200009816820 [1,1,0,0,0,0|2,0,0]=4 2422 B13R2.5179 Nc1nccc2c1ccc(c2)O 271570a_203496583355_100000732483 [1,1,0,0,0,0|2,0,0]=4 2423 B13R2.5179 O=c1ccoc2c1ccc(c2)O 271570a_203496583355_100010062221 [1,1,0,0,0,0|2,0,0]=4 2424 B13R2.5179 Oc1cc2cccc(c2cn1)O 271570a_203496583355_100009817091 [1,1,0,0,0,0|2,0,0]=4 2425 B13R2.5179 Oc1ccc2c(cccc2c1)O 271570a_203496583355_100010202202 [1,1,0,0,0,0|1,0,0]=3 2426 B13R2.5179 Oc1ccc2c(ccnc2c1)Cl 271570a_203496583355_100009996786 [1,1,0,0,0,0|2,0,0]=4 2427 B13R2.5179 Oc1ccc2c(ccnc2c1)O 271570a_203496583355_100000045489 [1,1,0,0,0,0|2,0,0]=4 2428 B13R2.5179 Oc1ccc2c(ccnc2c1)O 271570a_203496583355_100000756855 [1,1,0,0,0,0|2,0,0]=4 2429 B13R2.5179 Oc1ccc2c(nccc2c1)O 271570a_203496583355_100000760485 [1,1,0,0,0,0|2,0,0]=4 2430 B13R2.5179 Oc1ccc2c(nccc2c1)O 271570a_203496583355_100009867704 [1,1,0,0,0,0|2,0,0]=4 2431 B13R2.5179 Oc1cnc2c(cccc2c1)Br 271570a_203496583355_100010204298 [1,1,0,0,0,0|2,0,0]=4 2432 B13R2.5179 Oc1cnc2c(cccc2c1)Cl 271570a_203496583355_100000759377 [1,1,0,0,0,0|2,0,0]=4 2433 B13R2.5179 Oc1cnc2c(cccc2c1)F 271570a_203496583355_100000049890 [1,1,0,0,0,0|2,0,0]=4 2434 B13R2.1 CC=Cc1c[nH]c2c1cccn2 271570a_100016259895_100011934613 [0,1,0,0,1,0|2,0,0]=4 2435 B13R2.1 CC=Cc1csc2c1cccn2 271570a_100016259895_100009830249 [0,1,0,0,1,0|2,0,0]=4 2436 B13R2.1 CCOc1csc2c1cccc2 34a_100000077758_100000210202 [0,1,0,0,1,0|2,0,0]=4 2437 B13R2.1 CCOc1csc2c1cccc2 7a_100000077758_100000210202 [0,1,0,0,1,0|2,0,0]=4 2438 B13R2.1 CCSc1c[nH]c2c1cccn2 62a_100000210202_100011934613 [0,1,0,0,1,0|1,1,0]=4 2439 B13R2.1 CCSc1csc2c1cccn2 62a_100000210202_100009830249 [0,1,0,0,1,0|1,1,0]=4 2440 B13R2.1 CCSc1csc2c1cccn2 62a_100009830249_100000210202 [0,1,0,0,1,0|1,1,0]=4 2441 B13R2.1 COCc1csc2c1cccc2 34a_100011219454_200000210301 [0,1,0,0,1,0|2,0,0]=4 2442 B13R2.1 COCc1csc2c1cccc2 34a_100138415774_200000742921 [0,1,0,0,1,0|2,0,0]=4 2443 B13R2.1 FCOc1csc2c1cccc2 34a_100000077758_100015361967 [0,1,0,0,1,0|2,0,0]=4 2444 B13R2.1 FCOc1csc2c1cccc2 7a_100000077758_100015361967 [0,1,0,0,1,0|2,0,0]=4 2445 B13R2.1 FCSc1c[nH]c2c1cccn2 62a_100015361967_100011934613 [0,1,0,0,1,0|1,1,0]=4 2446 B13R2.1 FCSc1csc2c1cccn2 62a_100009830249_100015361967 [0,1,0,0,1,0|1,1,0]=4 2447 B13R2.1 FCSc1csc2c1cccn2 62a_100015361967_100009830249 [0,1,0,0,1,0|1,1,0]=4 2448 B13R2.1 [13CH3]OCc1csc2c1cccc2 34a_100011219454_200025704644 [0,1,0,0,1,0|2,0,0]=4 2449 B13R2.72 C=C(C)c1c[nH]c2c1cccn2 271570a_100000694244_100011934613 [0,1,0,0,1,0|2,0,0]=4 2450 B13R2.72 C=C(C)c1csc2c1cccn2 271570a_100000694244_100009830249 [0,1,0,0,1,0|2,0,0]=4 2451 B13R2.135 CSc1c([nH]c2c1cccn2)C 62a_200000210301_100010174266 [0,1,0,0,1,0|1,1,0]=4 2452 B13R2.135 Cc1[nH]c2ncccc2c1S[13CH3] 62a_200025704644_100010174266 [0,1,0,0,1,0|1,1,0]=4 2453 B13R2.662 CSc1c[nH]c2c1ccc(n2)Cl 62a_200000210301_100010168512 [0,1,0,0,1,0|1,1,0]=4 2454 B13R2.662 CSc1c[nH]c2c1ccc(n2)F 62a_200000210301_100010168364 [0,1,0,0,1,0|1,1,0]=4 2455 B13R2.662 [13CH3]Sc1c[nH]c2c1ccc(n2)Cl 62a_200025704644_100010168512 [0,1,0,0,1,0|1,1,0]=4 2456 B13R2.662 [13CH3]Sc1c[nH]c2c1ccc(n2)F 62a_200025704644_100010168364 [0,1,0,0,1,0|1,1,0]=4 2457 B13R2.2091 CSc1c[nH]c2c1c(ccn2)Br 62a_100010212587_200000210301 [0,1,0,0,1,0|1,1,0]=4 2458 B13R2.2091 CSc1c[nH]c2c1c(ccn2)Br 62a_200000210301_100010212587 [0,1,0,0,1,0|1,1,0]=4 2459 B13R2.2091 CSc1c[nH]c2c1c(ccn2)Cl 62a_200000210301_100011356983 [0,1,0,0,1,0|1,1,0]=4 2460 B13R2.2091 CSc1c[nH]c2c1c(ccn2)F 62a_200000210301_100010168365 [0,1,0,0,1,0|1,1,0]=4 2461 B13R2.2091 [13CH3]Sc1c[nH]c2c1c(ccn2)Br 62a_100010212587_200025704644 [0,1,0,0,1,0|1,1,0]=4 2462 B13R2.2091 [13CH3]Sc1c[nH]c2c1c(ccn2)Br 62a_200025704644_100010212587 [0,1,0,0,1,0|1,1,0]=4 2463 B13R2.2091 [13CH3]Sc1c[nH]c2c1c(ccn2)Cl 62a_200025704644_100011356983 [0,1,0,0,1,0|1,1,0]=4 2464 B13R2.2091 [13CH3]Sc1c[nH]c2c1c(ccn2)F 62a_200025704644_100010168365 [0,1,0,0,1,0|1,1,0]=4 2465 B13R2.2136 COc1n[nH]c2c1cc(cn2)O 271570a_203496583355_200010724658 [0,1,0,0,1,0|2,0,0]=4 2466 B13R2.2136 CSc1c[nH]c2c1cc(cn2)Br 62a_100011290788_200000210301 [0,1,0,0,1,0|1,1,0]=4 2467 B13R2.2136 CSc1c[nH]c2c1cc(cn2)Br 62a_200000210301_100011290788 [0,1,0,0,1,0|1,1,0]=4 2468 B13R2.2136 CSc1c[nH]c2c1cc(cn2)C 62a_200000210301_100010246215 [0,1,0,0,1,0|1,1,0]=4 2469 B13R2.2136 CSc1c[nH]c2c1cc(cn2)Cl 62a_200000210301_100000050100 [0,1,0,0,1,0|1,1,0]=4 2470 B13R2.2136 CSc1c[nH]c2c1cc(cn2)F 62a_200000210301_100010168383 [0,1,0,0,1,0|1,1,0]=4 2471 B13R2.2136 CSc1c[nH]c2c1cc(cn2)N 62a_200000210301_100010168510 [0,1,0,0,1,0|1,1,0]=4 2472 B13R2.2136 Cc1cnc2[nH]cc(c2c1)S[13CH3] 62a_200025704644_100010246215 [0,1,0,0,1,0|1,1,0]=4 2473 B13R2.2136 [13CH3]Sc1c[nH]c2c1cc(cn2)Br 62a_100011290788_200025704644 [0,1,0,0,1,0|1,1,0]=4 2474 B13R2.2136 [13CH3]Sc1c[nH]c2c1cc(cn2)Br 62a_200025704644_100011290788 [0,1,0,0,1,0|1,1,0]=4 2475 B13R2.2136 [13CH3]Sc1c[nH]c2c1cc(cn2)Cl 62a_200025704644_100000050100 [0,1,0,0,1,0|1,1,0]=4 2476 B13R2.2136 [13CH3]Sc1c[nH]c2c1cc(cn2)F 62a_200025704644_100010168383 [0,1,0,0,1,0|1,1,0]=4 2477 B13R2.2136 [13CH3]Sc1c[nH]c2c1cc(cn2)N 62a_200025704644_100010168510 [0,1,0,0,1,0|1,1,0]=4 2478 B13R2.2931 CSc1cn(c2c1cccn2)C 62a_200000210301_100010205794 [0,1,0,0,1,0|1,1,0]=4 2479 B13R2.2931 Cn1cc(c2c1nccc2)S[13CH3] 62a_200025704644_100010205794 [0,1,0,0,1,0|1,1,0]=4 2480 B13R2.26 CC=Cc1cc2cccnc2[nH]1 271570a_100016259895_100010079843 [0,1,0,0,1,0|2,0,0]=4 2481 B13R2.26 CCSc1cc2cccnc2[nH]1 62a_100000210202_100010079843 [0,1,0,0,1,0|1,1,0]=4 2482 B13R2.26 CNCc1cc2cccnc2[nH]1 207a_100102657272_100000088027 [0,1,0,0,1,0|2,0,0]=4 2483 B13R2.26 CNCc1cc2cccnc2[nH]1 270004a_106832991635_100000088027 [0,1,0,0,1,0|2,0,0]=4 2484 B13R2.26 CNCc1cc2cccnc2s1 207a_100102657272_100000050461 [0,1,0,0,1,0|2,0,0]=4 2485 B13R2.26 CNCc1cc2cccnc2s1 270004a_106832991635_100000050461 [0,1,0,0,1,0|2,0,0]=4 2486 B13R2.26 CNCc1cc2ncccc2o1 207a_100102657272_100000104172 [0,1,0,0,1,0|2,0,0]=4 2487 B13R2.26 CNCc1cc2ncccc2o1 270004a_106832991635_100000104172 [0,1,0,0,1,0|2,0,0]=4 2488 B13R2.26 COCc1cc2ccccc2o1 34a_100000233474_200000210301 [0,1,0,0,1,0|2,0,0]=4 2489 B13R2.26 COCc1cc2ccccc2o1 7a_100000233474_200000210301 [0,1,0,0,1,0|2,0,0]=4 2490 B13R2.26 FCSc1cc2cccnc2[nH]1 62a_100015361967_100010079843 [0,1,0,0,1,0|1,1,0]=4 2491 B13R2.26 [13CH3]OCc1cc2ccccc2o1 34a_100000233474_200025704644 [0,1,0,0,1,0|2,0,0]=4 2492 B13R2.26 [13CH3]OCc1cc2ccccc2o1 7a_100000233474_200025704644 [0,1,0,0,1,0|2,0,0]=4 2493 B13R2.45 COc1cc2ccccc2n1C 34a_100000066695_200000210301 [0,1,0,0,1,0|2,0,0]=4 2494 B13R2.45 Cn1c(cc2c1cccc2)O[13CH3] 34a_100000066695_200025704644 [0,1,0,0,1,0|2,0,0]=4 2495 B13R2.54 CSc1cc2c(ccnc2[nH]1)Cl 62a_200000210301_100010234028 [0,1,0,0,1,0|1,1,0]=4 2496 B13R2.54 CSc1cc2nccc(c2s1)Cl 62a_200000210301_100010192579 [0,1,0,0,1,0|1,1,0]=4 2497 B13R2.54 [13CH3]Sc1cc2c(ccnc2[nH]1)Cl 62a_200025704644_100010234028 [0,1,0,0,1,0|1,1,0]=4 2498 B13R2.54 [13CH3]Sc1cc2nccc(c2s1)Cl 62a_200025704644_100010192579 [0,1,0,0,1,0|1,1,0]=4 2499 B13R2.435 C=C(C)c1cc2cccnc2[nH]1 271570a_100000694244_100010079843 [0,1,0,0,1,0|2,0,0]=4 2500 B13R2.84 COc1ccc2[nH]ccc2c1O 271570a_203496583355_100010169049 [0,1,0,0,1,0|0,0,1]=3 2501 B13R2.84 COc1ccc2[nH]ncc2c1Cl 7a_100009844731_200000210301 [0,1,0,0,1,0|1,0,1]=4 2502 B13R2.84 COc1ccc2[nH]ncc2c1O 271570a_203496583355_100010125576 [0,1,0,0,1,0|1,0,1]=4 2503 B13R2.84 COc1cnc2[nH]ccc2c1O 271570a_203496583355_100000097410 [0,1,0,0,1,0|1,0,1]=4 2504 B13R2.84 COc1ncc2cc[nH]c2c1O 271570a_203496583355_100010168355 [0,1,0,0,1,0|2,0,0]=4 2505 B13R2.84 CSc1ccc2[nH]ccc2c1C 62a_200000210301_100010731972 [0,1,0,0,1,0|0,1,1]=4 2506 B13R2.84 CSc1ccc2[nH]ccc2c1F 62a_100000700836_200000210301 [0,1,0,0,1,0|0,1,1]=4 2507 B13R2.84 CSc1ccc2[nH]ccc2c1F 62a_200000210301_100000700836 [0,1,0,0,1,0|0,1,1]=4 2508 B13R2.84 CSc1ccc2cc[nH]c2c1C 62a_200000210301_100009816929 [0,1,0,0,1,0|1,1,0]=4 2509 B13R2.84 CSc1ccc2nccn2c1C 62a_100012569086_200000210301 [0,1,0,0,1,0|1,1,0]=4 2510 B13R2.84 CSc1ccc2nccn2c1C 62a_200000210301_100012569086 [0,1,0,0,1,0|1,1,0]=4 2511 B13R2.84 CSc1ccc2ncsc2c1N 62a_100010998030_200000210301 [0,1,0,0,1,0|1,1,0]=4 2512 B13R2.84 Cc1c(ccc2c1[nH]cc2)S[13CH3] 62a_200025704644_100009816929 [0,1,0,0,1,0|1,1,0]=4 2513 B13R2.84 Cc1c(ccc2c1cc[nH]2)S[13CH3] 62a_200025704644_100010731972 [0,1,0,0,1,0|0,1,1]=4 2514 B13R2.84 Cc1c(ccc2n1ccn2)S[13CH3] 62a_100012569086_200025704644 [0,1,0,0,1,0|1,1,0]=4 2515 B13R2.84 Cc1c(ccc2n1ccn2)S[13CH3] 62a_200025704644_100012569086 [0,1,0,0,1,0|1,1,0]=4 2516 B13R2.84 [13CH3]Oc1ccc2[nH]ncc2c1Cl 7a_100009844731_200025704644 [0,1,0,0,1,0|1,0,1]=4 2517 B13R2.84 [13CH3]Sc1ccc2[nH]ccc2c1F 62a_100000700836_200025704644 [0,1,0,0,1,0|0,1,1]=4 2518 B13R2.84 [13CH3]Sc1ccc2[nH]ccc2c1F 62a_200025704644_100000700836 [0,1,0,0,1,0|0,1,1]=4 2519 B13R2.84 [13CH3]Sc1ccc2ncsc2c1N 62a_100010998030_200025704644 [0,1,0,0,1,0|1,1,0]=4 2520 B13R2.430 C=C(C)c1ccc2[nH]ccc2c1 271570a_100000694244_100000211741 [0,1,0,0,1,0|1,0,1]=4 2521 B13R2.430 C=C(C)c1ccc2c(c1)C=CC2 271570a_100000694244_100009814306 [0,1,0,0,1,0|1,0,1]=4 2522 B13R2.430 C=C(C)c1ccc2c(c1)CC=C2 271570a_100000694244_200009818231 [0,1,0,0,1,0|1,0,1]=4 2523 B13R2.430 C=C(C)c1ccc2cc[nH]c2c1 271570a_100000694244_100000743809 [0,1,0,0,1,0|2,0,0]=4 2524 B13R2.430 C=C(C)c1ccc2ccoc2c1 271570a_100000694244_100000759542 [0,1,0,0,1,0|2,0,0]=4 2525 B13R2.430 C=C(C)c1ccc2ccsc2c1 271570a_100000694244_100009888917 [0,1,0,0,1,0|2,0,0]=4 2526 B13R2.430 C=C(C)c1ccc2cscc2c1 271570a_100000694244_200010760811 [0,1,0,0,1,0|2,0,0]=4 2527 B13R2.430 C=C(C)c1ccc2nccn2c1 271570a_100000694244_100000746083 [0,1,0,0,1,0|2,0,0]=4 2528 B13R2.430 C=C(C)c1ccc2ncoc2c1 271570a_100000694244_100009817590 [0,1,0,0,1,0|2,0,0]=4 2529 B13R2.430 C=C(C)c1ccc2ncsc2c1 271570a_100000694244_100009816678 [0,1,0,0,1,0|2,0,0]=4 2530 B13R2.430 C=C(C)c1ccc2occc2c1 271570a_100000694244_100012343831 [0,1,0,0,1,0|2,0,0]=4 2531 B13R2.430 C=C(C)c1ccc2sccc2c1 271570a_100000694244_100009814439 [0,1,0,0,1,0|2,0,0]=4 2532 B13R2.430 C=C(C)c1ccn2nccc2c1 271570a_100000694244_100000763084 [0,1,0,0,1,0|2,0,0]=4 2533 B13R2.430 CC(=O)c1ccc2[nH]ccc2c1 1458a_100000752189_200000210301 [0,1,0,0,1,0|1,0,1]=4 2534 B13R2.430 CC(=O)c1ccc2cc[nH]c2c1 1458a_100000739399_200000210301 [0,1,0,0,1,0|2,0,0]=4 2535 B13R2.430 CC(=O)c1ccc2ccoc2c1 1458a_100000077109_200000210301 [0,1,0,0,1,0|2,0,0]=4 2536 B13R2.430 CC(=O)c1ccc2ccsc2c1 1458a_100000045399_200000210301 [0,1,0,0,1,0|2,0,0]=4 2537 B13R2.430 CC(=O)c1ccc2ncoc2c1 1458a_100000750374_200000210301 [0,1,0,0,1,0|2,0,0]=4 2538 B13R2.430 CC(=O)c1ccc2ncsc2c1 1458a_100000183663_200000210301 [0,1,0,0,1,0|2,0,0]=4 2539 B13R2.430 CC(=O)c1ccc2occc2c1 1458a_100000039204_200000210301 [0,1,0,0,1,0|2,0,0]=4 2540 B13R2.430 CC(=O)c1ccc2sccc2c1 1458a_100000766740_200000210301 [0,1,0,0,1,0|2,0,0]=4 2541 B13R2.430 [13CH3]C(=O)c1ccc2[nH]ccc2c1 1458a_100000752189_200025704644 [0,1,0,0,1,0|1,0,1]=4 2542 B13R2.430 [13CH3]C(=O)c1ccc2cc[nH]c2c1 1458a_100000739399_200025704644 [0,1,0,0,1,0|2,0,0]=4 2543 B13R2.430 [13CH3]C(=O)c1ccc2ccoc2c1 1458a_100000077109_200025704644 [0,1,0,0,1,0|2,0,0]=4 2544 B13R2.430 [13CH3]C(=O)c1ccc2ccsc2c1 1458a_100000045399_200025704644 [0,1,0,0,1,0|2,0,0]=4 2545 B13R2.430 [13CH3]C(=O)c1ccc2ncoc2c1 1458a_100000750374_200025704644 [0,1,0,0,1,0|2,0,0]=4 2546 B13R2.430 [13CH3]C(=O)c1ccc2ncsc2c1 1458a_100000183663_200025704644 [0,1,0,0,1,0|2,0,0]=4 2547 B13R2.430 [13CH3]C(=O)c1ccc2occc2c1 1458a_100000039204_200025704644 [0,1,0,0,1,0|2,0,0]=4 2548 B13R2.430 [13CH3]C(=O)c1ccc2sccc2c1 1458a_100000766740_200025704644 [0,1,0,0,1,0|2,0,0]=4 2549 B13R2.449 CC=Cc1ccc2[nH]ccc2c1 271570a_100016259895_100000211741 [0,1,0,0,1,0|1,0,1]=4 2550 B13R2.449 CC=Cc1ccc2c(c1)C=CC2 271570a_100016259895_100009814306 [0,1,0,0,1,0|1,0,1]=4 2551 B13R2.449 CC=Cc1ccc2c(c1)CC=C2 271570a_100016259895_200009818231 [0,1,0,0,1,0|1,0,1]=4 2552 B13R2.449 CC=Cc1ccc2cc[nH]c2c1 271570a_100016259895_100000743809 [0,1,0,0,1,0|2,0,0]=4 2553 B13R2.449 CC=Cc1ccc2ccoc2c1 271570a_100016259895_100000759542 [0,1,0,0,1,0|2,0,0]=4 2554 B13R2.449 CC=Cc1ccc2ccsc2c1 271570a_100016259895_100009888917 [0,1,0,0,1,0|2,0,0]=4 2555 B13R2.449 CC=Cc1ccc2cscc2c1 271570a_100016259895_200010760811 [0,1,0,0,1,0|2,0,0]=4 2556 B13R2.449 CC=Cc1ccc2nccn2c1 271570a_100016259895_100000746083 [0,1,0,0,1,0|2,0,0]=4 2557 B13R2.449 CC=Cc1ccc2ncoc2c1 271570a_100016259895_100009817590 [0,1,0,0,1,0|2,0,0]=4 2558 B13R2.449 CC=Cc1ccc2ncsc2c1 271570a_100016259895_100009816678 [0,1,0,0,1,0|2,0,0]=4 2559 B13R2.449 CC=Cc1ccc2occc2c1 271570a_100016259895_100012343831 [0,1,0,0,1,0|2,0,0]=4 2560 B13R2.449 CC=Cc1ccc2sccc2c1 271570a_100016259895_100009814439 [0,1,0,0,1,0|2,0,0]=4 2561 B13R2.449 CC=Cc1ccn2nccc2c1 271570a_100016259895_100000763084 [0,1,0,0,1,0|2,0,0]=4 2562 B13R2.449 CCNc1ccc2ccoc2c1 34a_100000102395_100000210202 [0,1,0,0,1,0|2,0,0]=4 2563 B13R2.449 CCNc1ccc2ncoc2c1 34a_100011248239_100000210202 [0,1,0,0,1,0|2,0,0]=4 2564 B13R2.449 CCNc1ccc2ncsc2c1 34a_100011215093_100000210202 [0,1,0,0,1,0|2,0,0]=4 2565 B13R2.449 CCNc1ccc2occc2c1 34a_106430523501_100000210202 [0,1,0,0,1,0|2,0,0]=4 2566 B13R2.449 CCNc1ccc2sccc2c1 34a_100000681076_100000210202 [0,1,0,0,1,0|2,0,0]=4 2567 B13R2.449 CCOc1ccc2[nH]ccc2c1 34a_100000756620_100000210202 [0,1,0,0,1,0|0,0,1]=3 2568 B13R2.449 CCOc1ccc2cc[nH]c2c1 34a_100000036713_100000210202 [0,1,0,0,1,0|1,0,0]=3 2569 B13R2.449 CCOc1ccc2ccoc2c1 34a_100000089557_100000210202 [0,1,0,0,1,0|1,0,0]=3 2570 B13R2.449 CCOc1ccc2ccoc2c1 7a_100000089557_100000210202 [0,1,0,0,1,0|1,0,0]=3 2571 B13R2.449 CCOc1ccc2cnoc2c1 34a_100000098417_100000210202 [0,1,0,0,1,0|2,0,0]=4 2572 B13R2.449 CCOc1ccc2cnoc2c1 7a_100000098417_100000210202 [0,1,0,0,1,0|2,0,0]=4 2573 B13R2.449 CCOc1ccc2ncsc2c1 34a_100011995850_100000210202 [0,1,0,0,1,0|1,0,0]=3 2574 B13R2.449 CCOc1ccc2ncsc2c1 7a_100011995850_100000210202 [0,1,0,0,1,0|1,0,0]=3 2575 B13R2.449 CCOc1ccc2nonc2c1 34a_100000036933_100000210202 [0,1,0,0,1,0|2,0,0]=4 2576 B13R2.449 CCOc1ccc2occc2c1 34a_100000070125_100000210202 [0,1,0,0,1,0|1,0,0]=3 2577 B13R2.449 CCOc1ccc2occc2c1 7a_100000070125_100000210202 [0,1,0,0,1,0|1,0,0]=3 2578 B13R2.449 CCOc1ccc2sccc2c1 34a_100012180905_100000210202 [0,1,0,0,1,0|1,0,0]=3 2579 B13R2.449 CCOc1ccc2sccc2c1 7a_100012180905_100000210202 [0,1,0,0,1,0|1,0,0]=3 2580 B13R2.449 CCOc1ccc2scnc2c1 34a_200009850626_100000210202 [0,1,0,0,1,0|2,0,0]=4 2581 B13R2.449 CCOc1ccc2scnc2c1 7a_200009850626_100000210202 [0,1,0,0,1,0|2,0,0]=4 2582 B13R2.449 CCOc1ccn2ccnc2c1 34a_100009863278_100000210202 [0,1,0,0,1,0|2,0,0]=4 2583 B13R2.449 CCOc1cnc2[nH]ccc2c1 34a_100000087691_100000210202 [0,1,0,0,1,0|1,0,1]=4 2584 B13R2.449 CCSc1ccc2[nH]ccc2c1 62a_100000210202_100000035808 [0,1,0,0,1,0|0,1,1]=4 2585 B13R2.449 CCSc1ccc2c(c1)C=CC2 62a_100000210202_100009814306 [0,1,0,0,1,0|0,1,1]=4 2586 B13R2.449 CCSc1ccc2c(c1)C=CC2 62a_100009814306_100000210202 [0,1,0,0,1,0|0,1,1]=4 2587 B13R2.449 CCSc1ccc2c(c1)CC=C2 62a_100000210202_200009818231 [0,1,0,0,1,0|0,1,1]=4 2588 B13R2.449 CCSc1ccc2c(c1)CC=C2 62a_200009818231_100000210202 [0,1,0,0,1,0|0,1,1]=4 2589 B13R2.449 CCSc1ccc2cc[nH]c2c1 62a_100000210202_100000743809 [0,1,0,0,1,0|1,1,0]=4 2590 B13R2.449 CCSc1ccc2ccoc2c1 62a_100000210202_100000759542 [0,1,0,0,1,0|1,1,0]=4 2591 B13R2.449 CCSc1ccc2ccsc2c1 62a_100000210202_100009888917 [0,1,0,0,1,0|1,1,0]=4 2592 B13R2.449 CCSc1ccc2cscc2c1 62a_100000210202_200010760811 [0,1,0,0,1,0|1,1,0]=4 2593 B13R2.449 CCSc1ccc2nccn2c1 62a_100000210202_100000746083 [0,1,0,0,1,0|1,1,0]=4 2594 B13R2.449 CCSc1ccc2nccn2c1 62a_100000746083_100000210202 [0,1,0,0,1,0|1,1,0]=4 2595 B13R2.449 CCSc1ccc2ncoc2c1 62a_100000210202_100009817590 [0,1,0,0,1,0|1,1,0]=4 2596 B13R2.449 CCSc1ccc2ncsc2c1 62a_100000210202_100009816678 [0,1,0,0,1,0|1,1,0]=4 2597 B13R2.449 CCSc1ccc2ncsc2c1 62a_100009816678_100000210202 [0,1,0,0,1,0|1,1,0]=4 2598 B13R2.449 CCSc1ccc2occc2c1 62a_100000210202_100000691453 [0,1,0,0,1,0|1,1,0]=4 2599 B13R2.449 CCSc1ccc2sccc2c1 62a_100000210202_100009814439 [0,1,0,0,1,0|1,1,0]=4 2600 B13R2.449 CCSc1ccn2nccc2c1 62a_100000210202_100000763084 [0,1,0,0,1,0|1,1,0]=4 2601 B13R2.449 CNCc1ccc2[nH]ccc2c1 207a_100102657272_100011197475 [0,1,0,0,1,0|1,0,1]=4 2602 B13R2.449 CNCc1ccc2[nH]ccc2c1 270004a_106832991635_100011197475 [0,1,0,0,1,0|1,0,1]=4 2603 B13R2.449 CNCc1ccc2cc[nH]c2c1 207a_100102657272_100011218920 [0,1,0,0,1,0|2,0,0]=4 2604 B13R2.449 CNCc1ccc2cc[nH]c2c1 270004a_106832991635_100011218920 [0,1,0,0,1,0|2,0,0]=4 2605 B13R2.449 CNCc1ccc2ccsc2c1 207a_100102657272_100000112508 [0,1,0,0,1,0|2,0,0]=4 2606 B13R2.449 CNCc1ccc2ccsc2c1 270004a_106832991635_100000112508 [0,1,0,0,1,0|2,0,0]=4 2607 B13R2.449 CNCc1ccc2n[nH]cc2c1 207a_100102657272_100000068381 [0,1,0,0,1,0|2,0,0]=4 2608 B13R2.449 CNCc1ccc2n[nH]cc2c1 270004a_106832991635_100000068381 [0,1,0,0,1,0|2,0,0]=4 2609 B13R2.449 CNCc1ccc2nc[nH]c2c1 207a_100102657272_100000059205 [0,1,0,0,1,0|2,0,0]=4 2610 B13R2.449 CNCc1ccc2nc[nH]c2c1 270004a_106832991635_100000059205 [0,1,0,0,1,0|2,0,0]=4 2611 B13R2.449 CNCc1ccc2nccn2c1 207a_100102657272_100000059712 [0,1,0,0,1,0|2,0,0]=4 2612 B13R2.449 CNCc1ccc2nccn2c1 270004a_106832991635_100000059712 [0,1,0,0,1,0|2,0,0]=4 2613 B13R2.449 CNCc1ccc2ncoc2c1 207a_100102657272_100000059852 [0,1,0,0,1,0|2,0,0]=4 2614 B13R2.449 CNCc1ccc2ncoc2c1 2230a_106832991635_106359897996 [0,1,0,0,1,0|2,0,0]=4 2615 B13R2.449 CNCc1ccc2ncoc2c1 270004a_106832991635_100000059852 [0,1,0,0,1,0|2,0,0]=4 2616 B13R2.449 CNCc1ccc2ncoc2c1 34a_100102657272_106359897996 [0,1,0,0,1,0|2,0,0]=4 2617 B13R2.449 CNCc1ccc2ncoc2c1 7a_106832991635_106359897996 [0,1,0,0,1,0|2,0,0]=4 2618 B13R2.449 CNCc1ccc2ncsc2c1 207a_100102657272_100009861089 [0,1,0,0,1,0|2,0,0]=4 2619 B13R2.449 CNCc1ccc2ncsc2c1 2230a_106832991635_100009847474 [0,1,0,0,1,0|2,0,0]=4 2620 B13R2.449 CNCc1ccc2ncsc2c1 270004a_106832991635_100009861089 [0,1,0,0,1,0|2,0,0]=4 2621 B13R2.449 CNCc1ccc2ncsc2c1 34a_100102657272_100009847474 [0,1,0,0,1,0|2,0,0]=4 2622 B13R2.449 CNCc1ccc2ncsc2c1 7a_106832991635_100009847474 [0,1,0,0,1,0|2,0,0]=4 2623 B13R2.449 CNCc1ccc2occc2c1 207a_100102657272_100000040644 [0,1,0,0,1,0|2,0,0]=4 2624 B13R2.449 CNCc1ccc2occc2c1 2230a_100020591328_200000210301 [0,1,0,0,1,0|2,0,0]=4 2625 B13R2.449 CNCc1ccc2occc2c1 26a_100102657272_100000070125 [0,1,0,0,1,0|2,0,0]=4 2626 B13R2.449 CNCc1ccc2occc2c1 270004a_106832991635_100000040644 [0,1,0,0,1,0|2,0,0]=4 2627 B13R2.449 CNCc1ccc2occc2c1 34a_100020591328_200000210301 [0,1,0,0,1,0|2,0,0]=4 2628 B13R2.449 CNCc1ccc2sccc2c1 207a_100102657272_100000050658 [0,1,0,0,1,0|2,0,0]=4 2629 B13R2.449 CNCc1ccc2sccc2c1 2230a_100000732457_200000210301 [0,1,0,0,1,0|2,0,0]=4 2630 B13R2.449 CNCc1ccc2sccc2c1 270004a_106832991635_100000050658 [0,1,0,0,1,0|2,0,0]=4 2631 B13R2.449 CNCc1ccc2sccc2c1 34a_100000732457_200000210301 [0,1,0,0,1,0|2,0,0]=4 2632 B13R2.449 CNCc1ccn2nccc2c1 207a_100102657272_100009861398 [0,1,0,0,1,0|2,0,0]=4 2633 B13R2.449 CNCc1ccn2nccc2c1 270004a_106832991635_100009861398 [0,1,0,0,1,0|2,0,0]=4 2634 B13R2.449 COCc1ccc2ccoc2c1 34a_200009859634_200000210301 [0,1,0,0,1,0|1,0,0]=3 2635 B13R2.449 COCc1ccc2ccoc2c1 7a_200009859634_200000210301 [0,1,0,0,1,0|1,0,0]=3 2636 B13R2.449 COCc1ccc2ccsc2c1 34a_100010262773_200000210301 [0,1,0,0,1,0|1,0,0]=3 2637 B13R2.449 COCc1ccc2ccsc2c1 7a_100010262773_200000210301 [0,1,0,0,1,0|1,0,0]=3 2638 B13R2.449 COCc1ccc2cn[nH]c2c1 34a_100138415774_100020605281 [0,1,0,0,1,0|2,0,0]=4 2639 B13R2.449 COCc1ccc2ncoc2c1 34a_100138415774_106359897996 [0,1,0,0,1,0|1,0,0]=3 2640 B13R2.449 COCc1ccc2ncsc2c1 34a_100138415774_100009847474 [0,1,0,0,1,0|1,0,0]=3 2641 B13R2.449 COCc1ccc2nonc2c1 34a_100138415774_100000733437 [0,1,0,0,1,0|2,0,0]=4 2642 B13R2.449 COCc1ccc2nsnc2c1 34a_100138415774_100000187484 [0,1,0,0,1,0|2,0,0]=4 2643 B13R2.449 COCc1ccc2occc2c1 34a_100000067418_200000210301 [0,1,0,0,1,0|1,0,0]=3 2644 B13R2.449 COCc1ccc2occc2c1 7a_100000067418_200000210301 [0,1,0,0,1,0|1,0,0]=3 2645 B13R2.449 COCc1ccc2ocnc2c1 34a_100138415774_200010203175 [0,1,0,0,1,0|2,0,0]=4 2646 B13R2.449 COCc1ccc2sccc2c1 34a_100000068000_200000210301 [0,1,0,0,1,0|1,0,0]=3 2647 B13R2.449 COCc1ccc2sccc2c1 7a_100000068000_200000210301 [0,1,0,0,1,0|1,0,0]=3 2648 B13R2.449 COCc1ccc2scnc2c1 34a_100009883289_200000210301 [0,1,0,0,1,0|2,0,0]=4 2649 B13R2.449 CSCc1ccc2ncoc2c1 62a_106359897996_200000210301 [0,1,0,0,1,0|1,1,0]=4 2650 B13R2.449 CSCc1ccc2ncoc2c1 62a_200000210301_106359897996 [0,1,0,0,1,0|1,1,0]=4 2651 B13R2.449 CSCc1ccc2ncsc2c1 62a_100009847474_200000210301 [0,1,0,0,1,0|1,1,0]=4 2652 B13R2.449 CSCc1ccc2ncsc2c1 62a_200000210301_100009847474 [0,1,0,0,1,0|1,1,0]=4 2653 B13R2.449 FCNc1ccc2ccoc2c1 34a_100000102395_100015361967 [0,1,0,0,1,0|2,0,0]=4 2654 B13R2.449 FCNc1ccc2ncoc2c1 34a_100011248239_100015361967 [0,1,0,0,1,0|2,0,0]=4 2655 B13R2.449 FCNc1ccc2ncsc2c1 34a_100011215093_100015361967 [0,1,0,0,1,0|2,0,0]=4 2656 B13R2.449 FCNc1ccc2occc2c1 34a_106430523501_100015361967 [0,1,0,0,1,0|2,0,0]=4 2657 B13R2.449 FCNc1ccc2sccc2c1 34a_100000681076_100015361967 [0,1,0,0,1,0|2,0,0]=4 2658 B13R2.449 FCOc1ccc2[nH]ccc2c1 34a_100000756620_100015361967 [0,1,0,0,1,0|0,0,1]=3 2659 B13R2.449 FCOc1ccc2cc[nH]c2c1 34a_100000036713_100015361967 [0,1,0,0,1,0|1,0,0]=3 2660 B13R2.449 FCOc1ccc2ccoc2c1 34a_100000089557_100015361967 [0,1,0,0,1,0|1,0,0]=3 2661 B13R2.449 FCOc1ccc2ccoc2c1 7a_100000089557_100015361967 [0,1,0,0,1,0|1,0,0]=3 2662 B13R2.449 FCOc1ccc2cnoc2c1 34a_100000098417_100015361967 [0,1,0,0,1,0|2,0,0]=4 2663 B13R2.449 FCOc1ccc2cnoc2c1 7a_100000098417_100015361967 [0,1,0,0,1,0|2,0,0]=4 2664 B13R2.449 FCOc1ccc2ncsc2c1 34a_100011995850_100015361967 [0,1,0,0,1,0|1,0,0]=3 2665 B13R2.449 FCOc1ccc2ncsc2c1 7a_100011995850_100015361967 [0,1,0,0,1,0|1,0,0]=3 2666 B13R2.449 FCOc1ccc2nonc2c1 34a_100000036933_100015361967 [0,1,0,0,1,0|2,0,0]=4 2667 B13R2.449 FCOc1ccc2occc2c1 34a_100000070125_100015361967 [0,1,0,0,1,0|1,0,0]=3 2668 B13R2.449 FCOc1ccc2occc2c1 7a_100000070125_100015361967 [0,1,0,0,1,0|1,0,0]=3 2669 B13R2.449 FCOc1ccc2sccc2c1 34a_100012180905_100015361967 [0,1,0,0,1,0|1,0,0]=3 2670 B13R2.449 FCOc1ccc2sccc2c1 7a_100012180905_100015361967 [0,1,0,0,1,0|1,0,0]=3 2671 B13R2.449 FCOc1ccc2scnc2c1 34a_200009850626_100015361967 [0,1,0,0,1,0|2,0,0]=4 2672 B13R2.449 FCOc1ccc2scnc2c1 7a_200009850626_100015361967 [0,1,0,0,1,0|2,0,0]=4 2673 B13R2.449 FCOc1ccn2ccnc2c1 34a_100009863278_100015361967 [0,1,0,0,1,0|2,0,0]=4 2674 B13R2.449 FCOc1cnc2[nH]ccc2c1 34a_100000087691_100015361967 [0,1,0,0,1,0|1,0,1]=4 2675 B13R2.449 FCSc1ccc2[nH]ccc2c1 62a_100015361967_100000035808 [0,1,0,0,1,0|0,1,1]=4 2676 B13R2.449 FCSc1ccc2c(c1)C=CC2 62a_100009814306_100015361967 [0,1,0,0,1,0|0,1,1]=4 2677 B13R2.449 FCSc1ccc2c(c1)C=CC2 62a_100015361967_100009814306 [0,1,0,0,1,0|0,1,1]=4 2678 B13R2.449 FCSc1ccc2c(c1)CC=C2 62a_100015361967_200009818231 [0,1,0,0,1,0|0,1,1]=4 2679 B13R2.449 FCSc1ccc2c(c1)CC=C2 62a_200009818231_100015361967 [0,1,0,0,1,0|0,1,1]=4 2680 B13R2.449 FCSc1ccc2cc[nH]c2c1 62a_100015361967_100000743809 [0,1,0,0,1,0|1,1,0]=4 2681 B13R2.449 FCSc1ccc2ccoc2c1 62a_100015361967_100000759542 [0,1,0,0,1,0|1,1,0]=4 2682 B13R2.449 FCSc1ccc2ccsc2c1 62a_100015361967_100009888917 [0,1,0,0,1,0|1,1,0]=4 2683 B13R2.449 FCSc1ccc2cscc2c1 62a_100015361967_200010760811 [0,1,0,0,1,0|1,1,0]=4 2684 B13R2.449 FCSc1ccc2nccn2c1 62a_100000746083_100015361967 [0,1,0,0,1,0|1,1,0]=4 2685 B13R2.449 FCSc1ccc2nccn2c1 62a_100015361967_100000746083 [0,1,0,0,1,0|1,1,0]=4 2686 B13R2.449 FCSc1ccc2ncoc2c1 62a_100015361967_100009817590 [0,1,0,0,1,0|1,1,0]=4 2687 B13R2.449 FCSc1ccc2ncsc2c1 62a_100009816678_100015361967 [0,1,0,0,1,0|1,1,0]=4 2688 B13R2.449 FCSc1ccc2ncsc2c1 62a_100015361967_100009816678 [0,1,0,0,1,0|1,1,0]=4 2689 B13R2.449 FCSc1ccc2occc2c1 62a_100015361967_100000691453 [0,1,0,0,1,0|1,1,0]=4 2690 B13R2.449 FCSc1ccc2sccc2c1 62a_100015361967_100009814439 [0,1,0,0,1,0|1,1,0]=4 2691 B13R2.449 FCSc1ccn2nccc2c1 62a_100015361967_100000763084 [0,1,0,0,1,0|1,1,0]=4 2692 B13R2.449 [13CH3]NCc1ccc2occc2c1 2230a_100020591328_200025704644 [0,1,0,0,1,0|2,0,0]=4 2693 B13R2.449 [13CH3]NCc1ccc2occc2c1 34a_100020591328_200025704644 [0,1,0,0,1,0|2,0,0]=4 2694 B13R2.449 [13CH3]NCc1ccc2sccc2c1 2230a_100000732457_200025704644 [0,1,0,0,1,0|2,0,0]=4 2695 B13R2.449 [13CH3]NCc1ccc2sccc2c1 34a_100000732457_200025704644 [0,1,0,0,1,0|2,0,0]=4 2696 B13R2.449 [13CH3]OCc1ccc2ccoc2c1 34a_200009859634_200025704644 [0,1,0,0,1,0|1,0,0]=3 2697 B13R2.449 [13CH3]OCc1ccc2ccoc2c1 7a_200009859634_200025704644 [0,1,0,0,1,0|1,0,0]=3 2698 B13R2.449 [13CH3]OCc1ccc2ccsc2c1 34a_100010262773_200025704644 [0,1,0,0,1,0|1,0,0]=3 2699 B13R2.449 [13CH3]OCc1ccc2ccsc2c1 7a_100010262773_200025704644 [0,1,0,0,1,0|1,0,0]=3 2700 B13R2.449 [13CH3]OCc1ccc2occc2c1 34a_100000067418_200025704644 [0,1,0,0,1,0|1,0,0]=3 2701 B13R2.449 [13CH3]OCc1ccc2occc2c1 7a_100000067418_200025704644 [0,1,0,0,1,0|1,0,0]=3 2702 B13R2.449 [13CH3]OCc1ccc2sccc2c1 34a_100000068000_200025704644 [0,1,0,0,1,0|1,0,0]=3 2703 B13R2.449 [13CH3]OCc1ccc2sccc2c1 7a_100000068000_200025704644 [0,1,0,0,1,0|1,0,0]=3 2704 B13R2.449 [13CH3]OCc1ccc2scnc2c1 34a_100009883289_200025704644 [0,1,0,0,1,0|2,0,0]=4 2705 B13R2.449 [13CH3]SCc1ccc2ncoc2c1 62a_106359897996_200025704644 [0,1,0,0,1,0|1,1,0]=4 2706 B13R2.449 [13CH3]SCc1ccc2ncoc2c1 62a_200025704644_106359897996 [0,1,0,0,1,0|1,1,0]=4 2707 B13R2.449 [13CH3]SCc1ccc2ncsc2c1 62a_100009847474_200025704644 [0,1,0,0,1,0|1,1,0]=4 2708 B13R2.449 [13CH3]SCc1ccc2ncsc2c1 62a_200025704644_100009847474 [0,1,0,0,1,0|1,1,0]=4 2709 B13R2.599 COc1cc2[nH]ccc2cc1O 271570a_203496583355_100010245498 [0,1,0,0,1,0|1,0,0]=3 2710 B13R2.599 COc1cc2[nH]cnc2cc1O 271570a_203496583355_100010062394 [0,1,0,0,1,0|1,0,0]=3 2711 B13R2.599 COc1cc2cc[nH]c2cc1O 271570a_203496583355_100010245486 [0,1,0,0,1,0|0,0,1]=3 2712 B13R2.599 COc1cc2cn[nH]c2cc1O 271570a_203496583355_100010074698 [0,1,0,0,1,0|1,0,1]=4 2713 B13R2.599 COc1cc2n[nH]cc2cc1O 271570a_203496583355_100020876381 [0,1,0,0,1,0|2,0,0]=4 2714 B13R2.599 COc1nc2[nH]ccc2cc1O 271570a_203496583355_100010168744 [0,1,0,0,1,0|2,0,0]=4 2715 B13R2.599 CSc1cc2[nH]ccc2cc1Br 62a_100000703010_200000210301 [0,1,0,0,1,0|1,1,0]=4 2716 B13R2.599 CSc1cc2[nH]ccc2cc1Br 62a_200000210301_100000703010 [0,1,0,0,1,0|1,1,0]=4 2717 B13R2.599 CSc1cc2[nH]ccc2cc1C 62a_200000210301_100010199660 [0,1,0,0,1,0|1,1,0]=4 2718 B13R2.599 CSc1cc2[nH]ccc2cc1F 62a_100009817181_200000210301 [0,1,0,0,1,0|1,1,0]=4 2719 B13R2.599 CSc1cc2[nH]ccc2cc1F 62a_200000210301_100009817181 [0,1,0,0,1,0|1,1,0]=4 2720 B13R2.599 CSc1cc2[nH]cnc2cc1C 62a_200000210301_200010107306 [0,1,0,0,1,0|1,1,0]=4 2721 B13R2.599 CSc1cc2c[nH]nc2cc1F 62a_100020825709_200000210301 [0,1,0,0,1,0|1,1,0]=4 2722 B13R2.599 CSc1cc2cc[nH]c2cc1C 62a_200000210301_100010199648 [0,1,0,0,1,0|0,1,1]=4 2723 B13R2.599 CSc1cc2cc[nH]c2cc1F 62a_100000731065_200000210301 [0,1,0,0,1,0|0,1,1]=4 2724 B13R2.599 CSc1cc2cc[nH]c2cc1F 62a_200000210301_100000731065 [0,1,0,0,1,0|0,1,1]=4 2725 B13R2.599 CSc1cc2cc[nH]c2cc1N 62a_100010212544_200000210301 [0,1,0,0,1,0|0,1,1]=4 2726 B13R2.599 CSc1cc2cc[nH]c2cc1N 62a_200000210301_100010212544 [0,1,0,0,1,0|0,1,1]=4 2727 B13R2.599 CSc1cc2sccc2cc1C 62a_100010762285_200000210301 [0,1,0,0,1,0|1,1,0]=4 2728 B13R2.599 CSc1cc2sccc2cc1C 62a_200000210301_100010762285 [0,1,0,0,1,0|1,1,0]=4 2729 B13R2.599 CSc1cn2ccnc2cc1C 62a_100020606757_200000210301 [0,1,0,0,1,0|1,1,0]=4 2730 B13R2.599 CSc1cn2ccnc2cc1C 62a_200000210301_100020606757 [0,1,0,0,1,0|1,1,0]=4 2731 B13R2.599 Cc1cc2[nH]ccc2cc1S[13CH3] 62a_200025704644_100010199648 [0,1,0,0,1,0|0,1,1]=4 2732 B13R2.599 Cc1cc2cc[nH]c2cc1S[13CH3] 62a_200025704644_100010199660 [0,1,0,0,1,0|1,1,0]=4 2733 B13R2.599 Cc1cc2ccsc2cc1S[13CH3] 62a_100010762285_200025704644 [0,1,0,0,1,0|1,1,0]=4 2734 B13R2.599 Cc1cc2ccsc2cc1S[13CH3] 62a_200025704644_100010762285 [0,1,0,0,1,0|1,1,0]=4 2735 B13R2.599 Cc1cc2nc[nH]c2cc1S[13CH3] 62a_200025704644_200010107306 [0,1,0,0,1,0|1,1,0]=4 2736 B13R2.599 Cc1cc2nccn2cc1S[13CH3] 62a_100020606757_200025704644 [0,1,0,0,1,0|1,1,0]=4 2737 B13R2.599 Cc1cc2nccn2cc1S[13CH3] 62a_200025704644_100020606757 [0,1,0,0,1,0|1,1,0]=4 2738 B13R2.599 [13CH3]Sc1cc2[nH]ccc2cc1Br 62a_100000703010_200025704644 [0,1,0,0,1,0|1,1,0]=4 2739 B13R2.599 [13CH3]Sc1cc2[nH]ccc2cc1Br 62a_200025704644_100000703010 [0,1,0,0,1,0|1,1,0]=4 2740 B13R2.599 [13CH3]Sc1cc2[nH]ccc2cc1F 62a_100009817181_200025704644 [0,1,0,0,1,0|1,1,0]=4 2741 B13R2.599 [13CH3]Sc1cc2[nH]ccc2cc1F 62a_200025704644_100009817181 [0,1,0,0,1,0|1,1,0]=4 2742 B13R2.599 [13CH3]Sc1cc2c[nH]nc2cc1F 62a_100020825709_200025704644 [0,1,0,0,1,0|1,1,0]=4 2743 B13R2.599 [13CH3]Sc1cc2cc[nH]c2cc1F 62a_100000731065_200025704644 [0,1,0,0,1,0|0,1,1]=4 2744 B13R2.599 [13CH3]Sc1cc2cc[nH]c2cc1F 62a_200025704644_100000731065 [0,1,0,0,1,0|0,1,1]=4 2745 B13R2.599 [13CH3]Sc1cc2cc[nH]c2cc1N 62a_100010212544_200025704644 [0,1,0,0,1,0|0,1,1]=4 2746 B13R2.599 [13CH3]Sc1cc2cc[nH]c2cc1N 62a_200025704644_100010212544 [0,1,0,0,1,0|0,1,1]=4 2747 B13R2.654 CNc1cc(c2cc[nH]c2c1)F 34a_100000085187_200000210301 [0,1,0,0,1,0|2,0,0]=4 2748 B13R2.654 COc1cc(c2[nH]ncc2c1)O 271570a_203496583355_100010292072 [0,1,0,0,1,0|1,0,1]=4 2749 B13R2.654 COc1cc(c2cc[nH]c2c1)O 271570a_203496583355_100010006585 [0,1,0,0,1,0|1,0,0]=3 2750 B13R2.654 COc1cc(c2ccnn2c1)O 271570a_203496583355_100010739841 [0,1,0,0,1,0|2,0,0]=4 2751 B13R2.654 COc1cc(c2cn[nH]c2c1)O 271570a_203496583355_100010188275 [0,1,0,0,1,0|2,0,0]=4 2752 B13R2.654 COc1cc(c2nc[nH]c2c1)O 271570a_203496583355_100102526192 [0,1,0,0,1,0|1,0,0]=3 2753 B13R2.654 COc1cc(c2ncsc2c1)C 34a_200009842467_200000210301 [0,1,0,0,1,0|1,0,0]=3 2754 B13R2.654 COc1cc(c2ncsc2c1)C 7a_200009842467_200000210301 [0,1,0,0,1,0|1,0,0]=3 2755 B13R2.654 COc1cc(c2occc2c1)Br 34a_200010248604_200000210301 [0,1,0,0,1,0|1,0,0]=3 2756 B13R2.654 COc1cc(c2occc2c1)Br 7a_200010248604_200000210301 [0,1,0,0,1,0|1,0,0]=3 2757 B13R2.654 CSc1cc(c2[nH]ccc2c1)C 62a_200000210301_100009817142 [0,1,0,0,1,0|0,1,1]=4 2758 B13R2.654 CSc1cc(c2[nH]ccc2c1)F 62a_200000210301_100010138380 [0,1,0,0,1,0|0,1,1]=4 2759 B13R2.654 CSc1cc(c2[nH]ccc2c1)N 62a_200000210301_100009813507 [0,1,0,0,1,0|0,1,1]=4 2760 B13R2.654 CSc1cc(c2cc[nH]c2c1)Br 62a_100009814775_200000210301 [0,1,0,0,1,0|1,1,0]=4 2761 B13R2.654 CSc1cc(c2cc[nH]c2c1)Br 62a_200000210301_100009814775 [0,1,0,0,1,0|1,1,0]=4 2762 B13R2.654 CSc1cc(c2cc[nH]c2c1)F 62a_100010186028_200000210301 [0,1,0,0,1,0|1,1,0]=4 2763 B13R2.654 CSc1cc(c2cc[nH]c2c1)F 62a_200000210301_100010186028 [0,1,0,0,1,0|1,1,0]=4 2764 B13R2.654 CSc1cc(c2cc[nH]c2c1)N 62a_200000210301_106744500199 [0,1,0,0,1,0|1,1,0]=4 2765 B13R2.654 CSc1cc(c2nc[nH]c2c1)C 62a_200000210301_100000239325 [0,1,0,0,1,0|1,1,0]=4 2766 B13R2.654 CSc1cc(c2nccn2c1)C 62a_200000210301_100000701042 [0,1,0,0,1,0|1,1,0]=4 2767 B13R2.654 CSc1cc(c2nccn2c1)F 62a_100010174814_200000210301 [0,1,0,0,1,0|1,1,0]=4 2768 B13R2.654 CSc1cc(c2nccn2c1)F 62a_200000210301_100010174814 [0,1,0,0,1,0|1,1,0]=4 2769 B13R2.654 CSc1cc(c2nccn2c1)N 62a_200000210301_100009816852 [0,1,0,0,1,0|1,1,0]=4 2770 B13R2.654 CSc1cc(c2nccn2c1)O 62a_200000210301_100010074634 [0,1,0,0,1,0|1,1,0]=4 2771 B13R2.654 CSc1cc(c2occc2c1)C 62a_200000210301_100012361858 [0,1,0,0,1,0|1,1,0]=4 2772 B13R2.654 CSc1cc(c2occc2c1)F 62a_200000210301_100012355474 [0,1,0,0,1,0|1,1,0]=4 2773 B13R2.654 Cc1cc(cc2c1[nH]cc2)S[13CH3] 62a_200025704644_100009817142 [0,1,0,0,1,0|0,1,1]=4 2774 B13R2.654 Cc1cc(cc2c1nc[nH]2)S[13CH3] 62a_200025704644_100000239325 [0,1,0,0,1,0|1,1,0]=4 2775 B13R2.654 Cc1cc(cc2c1ncs2)O[13CH3] 34a_200009842467_200025704644 [0,1,0,0,1,0|1,0,0]=3 2776 B13R2.654 Cc1cc(cc2c1ncs2)O[13CH3] 7a_200009842467_200025704644 [0,1,0,0,1,0|1,0,0]=3 2777 B13R2.654 Cc1cc(cc2c1occ2)S[13CH3] 62a_200025704644_100012361858 [0,1,0,0,1,0|1,1,0]=4 2778 B13R2.654 Cc1cc(cn2c1ncc2)S[13CH3] 62a_200025704644_100000701042 [0,1,0,0,1,0|1,1,0]=4 2779 B13R2.654 [13CH3]Nc1cc(c2cc[nH]c2c1)F 34a_100000085187_200025704644 [0,1,0,0,1,0|2,0,0]=4 2780 B13R2.654 [13CH3]Oc1cc(c2occc2c1)Br 34a_200010248604_200025704644 [0,1,0,0,1,0|1,0,0]=3 2781 B13R2.654 [13CH3]Oc1cc(c2occc2c1)Br 7a_200010248604_200025704644 [0,1,0,0,1,0|1,0,0]=3 2782 B13R2.654 [13CH3]Sc1cc(c2[nH]ccc2c1)F 62a_200025704644_100010138380 [0,1,0,0,1,0|0,1,1]=4 2783 B13R2.654 [13CH3]Sc1cc(c2[nH]ccc2c1)N 62a_200025704644_100009813507 [0,1,0,0,1,0|0,1,1]=4 2784 B13R2.654 [13CH3]Sc1cc(c2cc[nH]c2c1)Br 62a_100009814775_200025704644 [0,1,0,0,1,0|1,1,0]=4 2785 B13R2.654 [13CH3]Sc1cc(c2cc[nH]c2c1)Br 62a_200025704644_100009814775 [0,1,0,0,1,0|1,1,0]=4 2786 B13R2.654 [13CH3]Sc1cc(c2cc[nH]c2c1)F 62a_100010186028_200025704644 [0,1,0,0,1,0|1,1,0]=4 2787 B13R2.654 [13CH3]Sc1cc(c2cc[nH]c2c1)F 62a_200025704644_100010186028 [0,1,0,0,1,0|1,1,0]=4 2788 B13R2.654 [13CH3]Sc1cc(c2cc[nH]c2c1)N 62a_200025704644_106744500199 [0,1,0,0,1,0|1,1,0]=4 2789 B13R2.654 [13CH3]Sc1cc(c2nccn2c1)F 62a_100010174814_200025704644 [0,1,0,0,1,0|1,1,0]=4 2790 B13R2.654 [13CH3]Sc1cc(c2nccn2c1)F 62a_200025704644_100010174814 [0,1,0,0,1,0|1,1,0]=4 2791 B13R2.654 [13CH3]Sc1cc(c2nccn2c1)N 62a_200025704644_100009816852 [0,1,0,0,1,0|1,1,0]=4 2792 B13R2.654 [13CH3]Sc1cc(c2nccn2c1)O 62a_200025704644_100010074634 [0,1,0,0,1,0|1,1,0]=4 2793 B13R2.654 [13CH3]Sc1cc(c2occc2c1)F 62a_200025704644_100012355474 [0,1,0,0,1,0|1,1,0]=4 2794 B13R2.669 CNc1ccc2ccn(c2c1)C 34a_100000712629_200000210301 [0,1,0,0,1,0|2,0,0]=4 2795 B13R2.669 CNc1ccc2ncn(c2c1)C 34a_100015183096_200000210301 [0,1,0,0,1,0|2,0,0]=4 2796 B13R2.669 CNc1ccc2scc(c2c1)Br 2230a_100011178648_200000210301 [0,1,0,0,1,0|2,0,0]=4 2797 B13R2.669 CNc1ccc2scc(c2c1)Br 34a_100011178648_200000210301 [0,1,0,0,1,0|2,0,0]=4 2798 B13R2.669 COc1cc2c(c[nH]c2cn1)O 271570a_203496583355_200010163580 [0,1,0,0,1,0|1,0,1]=4 2799 B13R2.669 COc1ccc2[nH]cc(c2c1)C 34a_100000131216_200000210301 [0,1,0,0,1,0|0,0,1]=3 2800 B13R2.669 COc1ccc2[nH]cc(c2n1)O 271570a_203496583355_100010199035 [0,1,0,0,1,0|1,0,1]=4 2801 B13R2.669 COc1ccc2[nH]nc(c2c1)O 271570a_203496583355_100012353730 [0,1,0,0,1,0|1,0,1]=4 2802 B13R2.669 COc1ccc2c(c1)C(=O)CC2 34a_100009827925_200000210301 [0,1,0,0,1,0|0,0,2]=4 2803 B13R2.669 COc1ccc2c(c1)C(=O)CC2 7a_100009827925_200000210301 [0,1,0,0,1,0|0,0,2]=4 2804 B13R2.669 COc1ccc2c(c1)C(=O)NC2 34a_100000087830_200000210301 [0,1,0,0,1,0|1,0,1]=4 2805 B13R2.669 COc1ccc2cnn(c2c1)C 34a_100009862793_200000210301 [0,1,0,0,1,0|2,0,0]=4 2806 B13R2.669 COc1ccn2ncc(c2n1)O 271570a_203496583355_200010893797 [0,1,0,0,1,0|2,0,0]=4 2807 B13R2.669 COc1cnc2[nH]cc(c2c1)O 271570a_203496583355_100010199036 [0,1,0,0,1,0|1,0,1]=4 2808 B13R2.669 CSc1ccc2[nH]cc(c2c1)C 62a_200000210301_100009816687 [0,1,0,0,1,0|0,1,1]=4 2809 B13R2.669 CSc1ccc2ccn(c2c1)C 62a_200000210301_100011934912 [0,1,0,0,1,0|1,1,0]=4 2810 B13R2.669 CSc1ccc2ncc(n2c1)Br 62a_100010184845_200000210301 [0,1,0,0,1,0|1,1,0]=4 2811 B13R2.669 CSc1ccc2ncc(n2c1)Br 62a_200000210301_100010184845 [0,1,0,0,1,0|1,1,0]=4 2812 B13R2.669 CSc1ccc2ncc(n2c1)C 62a_100012353388_200000210301 [0,1,0,0,1,0|1,1,0]=4 2813 B13R2.669 CSc1ccc2ncc(n2c1)C 62a_200000210301_100012353388 [0,1,0,0,1,0|1,1,0]=4 2814 B13R2.669 CSc1ccc2ncc(n2c1)F 62a_100025711191_200000210301 [0,1,0,0,1,0|1,1,0]=4 2815 B13R2.669 CSc1ccc2ncc(n2c1)F 62a_200000210301_100025711191 [0,1,0,0,1,0|1,1,0]=4 2816 B13R2.669 CSc1ccc2ncn(c2c1)C 62a_200000210301_100000702186 [0,1,0,0,1,0|1,1,0]=4 2817 B13R2.669 CSc1ccc2occ(c2c1)C 62a_200000210301_100000728893 [0,1,0,0,1,0|1,1,0]=4 2818 B13R2.669 CSc1ccc2scc(c2c1)C 62a_200000210301_100009814196 [0,1,0,0,1,0|1,1,0]=4 2819 B13R2.669 Cc1c[nH]c2c1cc(cc2)O[13CH3] 34a_100000131216_200025704644 [0,1,0,0,1,0|0,0,1]=3 2820 B13R2.669 Cc1c[nH]c2c1cc(cc2)S[13CH3] 62a_200025704644_100009816687 [0,1,0,0,1,0|0,1,1]=4 2821 B13R2.669 Cc1cnc2n1cc(cc2)S[13CH3] 62a_100012353388_200025704644 [0,1,0,0,1,0|1,1,0]=4 2822 B13R2.669 Cc1cnc2n1cc(cc2)S[13CH3] 62a_200025704644_100012353388 [0,1,0,0,1,0|1,1,0]=4 2823 B13R2.669 Cc1coc2c1cc(cc2)S[13CH3] 62a_200025704644_100000728893 [0,1,0,0,1,0|1,1,0]=4 2824 B13R2.669 Cc1csc2c1cc(cc2)S[13CH3] 62a_200025704644_100009814196 [0,1,0,0,1,0|1,1,0]=4 2825 B13R2.669 Cn1ccc2c1cc(cc2)N[13CH3] 34a_100000712629_200025704644 [0,1,0,0,1,0|2,0,0]=4 2826 B13R2.669 Cn1ccc2c1cc(cc2)S[13CH3] 62a_200025704644_100011934912 [0,1,0,0,1,0|1,1,0]=4 2827 B13R2.669 Cn1cnc2c1cc(cc2)N[13CH3] 34a_100015183096_200025704644 [0,1,0,0,1,0|2,0,0]=4 2828 B13R2.669 Cn1cnc2c1cc(cc2)S[13CH3] 62a_200025704644_100000702186 [0,1,0,0,1,0|1,1,0]=4 2829 B13R2.669 Cn1ncc2c1cc(cc2)O[13CH3] 34a_100009862793_200025704644 [0,1,0,0,1,0|2,0,0]=4 2830 B13R2.669 [13CH3]Nc1ccc2scc(c2c1)Br 2230a_100011178648_200025704644 [0,1,0,0,1,0|2,0,0]=4 2831 B13R2.669 [13CH3]Nc1ccc2scc(c2c1)Br 34a_100011178648_200025704644 [0,1,0,0,1,0|2,0,0]=4 2832 B13R2.669 [13CH3]Oc1ccc2c(c1)C(=O)CC2 34a_100009827925_200025704644 [0,1,0,0,1,0|0,0,2]=4 2833 B13R2.669 [13CH3]Oc1ccc2c(c1)C(=O)CC2 7a_100009827925_200025704644 [0,1,0,0,1,0|0,0,2]=4 2834 B13R2.669 [13CH3]Oc1ccc2c(c1)C(=O)NC2 34a_100000087830_200025704644 [0,1,0,0,1,0|1,0,1]=4 2835 B13R2.669 [13CH3]Sc1ccc2ncc(n2c1)Br 62a_100010184845_200025704644 [0,1,0,0,1,0|1,1,0]=4 2836 B13R2.669 [13CH3]Sc1ccc2ncc(n2c1)Br 62a_200025704644_100010184845 [0,1,0,0,1,0|1,1,0]=4 2837 B13R2.669 [13CH3]Sc1ccc2ncc(n2c1)F 62a_100025711191_200025704644 [0,1,0,0,1,0|1,1,0]=4 2838 B13R2.669 [13CH3]Sc1ccc2ncc(n2c1)F 62a_200025704644_100025711191 [0,1,0,0,1,0|1,1,0]=4 2839 B13R2.2121 CNc1ccc2nc(oc2c1)C 34a_100000736495_200000210301 [0,1,0,0,1,0|2,0,0]=4 2840 B13R2.2121 CNc1ccc2nc(sc2c1)Cl 27a_100102657272_100010163703 [0,1,0,0,1,0|2,0,0]=4 2841 B13R2.2121 CNc1ccc2nn(cc2c1)C 34a_100000067545_200000210301 [0,1,0,0,1,0|2,0,0]=4 2842 B13R2.2121 COc1ccc2[nH]c(=O)oc2c1 7a_200000068749_200000210301 [0,1,0,0,1,0|1,0,1]=4 2843 B13R2.2121 COc1ccc2[nH]c(cc2c1)C 34a_100000073708_200000210301 [0,1,0,0,1,0|0,0,1]=3 2844 B13R2.2121 COc1ccc2[nH]c(cc2c1)C 7a_100000073708_200000210301 [0,1,0,0,1,0|0,0,1]=3 2845 B13R2.2121 COc1ccc2c(c1)CC(=O)O2 34a_100000035078_200000210301 [0,1,0,0,1,0|1,0,1]=4 2846 B13R2.2121 COc1ccc2c(c1)CC(=O)O2 7a_100000035078_200000210301 [0,1,0,0,1,0|1,0,1]=4 2847 B13R2.2121 COc1ccc2cc([nH]c2c1)C 34a_100000058111_200000210301 [0,1,0,0,1,0|1,0,0]=3 2848 B13R2.2121 COc1ccc2cc(oc2c1)C 34a_100000095638_200000210301 [0,1,0,0,1,0|1,0,0]=3 2849 B13R2.2121 COc1ccc2cc(oc2c1)C 7a_100000095638_200000210301 [0,1,0,0,1,0|1,0,0]=3 2850 B13R2.2121 COc1ccc2nc(oc2c1)C 34a_100000116946_200000210301 [0,1,0,0,1,0|1,0,0]=3 2851 B13R2.2121 COc1ccc2nc(oc2c1)C 7a_100000116946_200000210301 [0,1,0,0,1,0|1,0,0]=3 2852 B13R2.2121 COc1ccc2nc(sc2c1)Br 7a_100010063415_200000210301 [0,1,0,0,1,0|1,0,0]=3 2853 B13R2.2121 COc1ccc2nc(sc2c1)C 34a_100000008955_200000210301 [0,1,0,0,1,0|1,0,0]=3 2854 B13R2.2121 COc1ccc2nc(sc2c1)C 7a_100000008955_200000210301 [0,1,0,0,1,0|1,0,0]=3 2855 B13R2.2121 COc1ccc2nc(sc2c1)N 7a_100000012012_200000210301 [0,1,0,0,1,0|1,0,0]=3 2856 B13R2.2121 COc1ccc2nc(sc2c1)O 271570a_203496583355_100010195960 [0,1,0,0,1,0|1,0,0]=3 2857 B13R2.2121 COc1ccc2nn(cc2c1)C 34a_100000106843_200000210301 [0,1,0,0,1,0|1,0,0]=3 2858 B13R2.2121 COc1ccc2oc(nc2c1)C 34a_100000102623_200000210301 [0,1,0,0,1,0|2,0,0]=4 2859 B13R2.2121 COc1ccc2oc(nc2c1)C 7a_100000102623_200000210301 [0,1,0,0,1,0|2,0,0]=4 2860 B13R2.2121 COc1ccc2oc(nc2c1)Cl 34a_100010673232_200000210301 [0,1,0,0,1,0|2,0,0]=4 2861 B13R2.2121 COc1ccc2oc(nc2c1)Cl 7a_100010673232_200000210301 [0,1,0,0,1,0|2,0,0]=4 2862 B13R2.2121 COc1ccc2sc(nc2c1)C 34a_100000031546_200000210301 [0,1,0,0,1,0|2,0,0]=4 2863 B13R2.2121 COc1ccc2sc(nc2c1)C 7a_100000031546_200000210301 [0,1,0,0,1,0|2,0,0]=4 2864 B13R2.2121 COc1ccc2sc(nc2c1)N 7a_100000066538_200000210301 [0,1,0,0,1,0|2,0,0]=4 2865 B13R2.2121 COc1ccn2cc(nc2c1)C 34a_106256048495_200000210301 [0,1,0,0,1,0|2,0,0]=4 2866 B13R2.2121 CSc1ccc2[nH]c(cc2c1)C 62a_200000210301_100011214893 [0,1,0,0,1,0|0,1,1]=4 2867 B13R2.2121 CSc1ccc2cc([nH]c2c1)C 62a_200000210301_100010196937 [0,1,0,0,1,0|1,1,0]=4 2868 B13R2.2121 CSc1ccc2nc([nH]c2c1)Cl 62a_200000210301_100010204286 [0,1,0,0,1,0|1,1,0]=4 2869 B13R2.2121 CSc1ccc2nc(cn2c1)C 62a_100000194050_200000210301 [0,1,0,0,1,0|1,1,0]=4 2870 B13R2.2121 CSc1ccc2nc(cn2c1)C 62a_200000210301_100000194050 [0,1,0,0,1,0|1,1,0]=4 2871 B13R2.2121 CSc1ccc2nc(oc2c1)C 62a_200000210301_100010171164 [0,1,0,0,1,0|1,1,0]=4 2872 B13R2.2121 CSc1ccc2nc(sc2c1)C 62a_100009813144_200000210301 [0,1,0,0,1,0|1,1,0]=4 2873 B13R2.2121 CSc1ccc2nc(sc2c1)C 62a_200000210301_100009813144 [0,1,0,0,1,0|1,1,0]=4 2874 B13R2.2121 CSc1ccc2nc(sc2c1)Cl 62a_200000210301_100010163703 [0,1,0,0,1,0|1,1,0]=4 2875 B13R2.2121 CSc1ccc2nc(sc2c1)N 62a_100102524914_200000210301 [0,1,0,0,1,0|1,1,0]=4 2876 B13R2.2121 CSc1ccc2nn(cc2c1)C 62a_100009817163_200000210301 [0,1,0,0,1,0|1,1,0]=4 2877 B13R2.2121 CSc1ccc2nn(cc2c1)C 62a_200000210301_100009817163 [0,1,0,0,1,0|1,1,0]=4 2878 B13R2.2121 CSc1ccc2sc(cc2c1)C 62a_100000695401_200000210301 [0,1,0,0,1,0|1,1,0]=4 2879 B13R2.2121 CSc1ccc2sc(cc2c1)C 62a_200000210301_100000695401 [0,1,0,0,1,0|1,1,0]=4 2880 B13R2.2121 Cc1cc2cc(ccc2[nH]1)O[13CH3] 34a_100000073708_200025704644 [0,1,0,0,1,0|0,0,1]=3 2881 B13R2.2121 Cc1cc2cc(ccc2[nH]1)O[13CH3] 7a_100000073708_200025704644 [0,1,0,0,1,0|0,0,1]=3 2882 B13R2.2121 Cc1cc2cc(ccc2[nH]1)S[13CH3] 62a_200025704644_100011214893 [0,1,0,0,1,0|0,1,1]=4 2883 B13R2.2121 Cc1cc2cc(ccc2s1)S[13CH3] 62a_100000695401_200025704644 [0,1,0,0,1,0|1,1,0]=4 2884 B13R2.2121 Cc1cc2cc(ccc2s1)S[13CH3] 62a_200025704644_100000695401 [0,1,0,0,1,0|1,1,0]=4 2885 B13R2.2121 Cc1cc2ccc(cc2[nH]1)O[13CH3] 34a_100000058111_200025704644 [0,1,0,0,1,0|1,0,0]=3 2886 B13R2.2121 Cc1cc2ccc(cc2[nH]1)S[13CH3] 62a_200025704644_100010196937 [0,1,0,0,1,0|1,1,0]=4 2887 B13R2.2121 Cc1cc2ccc(cc2o1)O[13CH3] 34a_100000095638_200025704644 [0,1,0,0,1,0|1,0,0]=3 2888 B13R2.2121 Cc1cc2ccc(cc2o1)O[13CH3] 7a_100000095638_200025704644 [0,1,0,0,1,0|1,0,0]=3 2889 B13R2.2121 Cc1cn2cc(ccc2n1)S[13CH3] 62a_100000194050_200025704644 [0,1,0,0,1,0|1,1,0]=4 2890 B13R2.2121 Cc1cn2cc(ccc2n1)S[13CH3] 62a_200025704644_100000194050 [0,1,0,0,1,0|1,1,0]=4 2891 B13R2.2121 Cc1cn2ccc(cc2n1)O[13CH3] 34a_106256048495_200025704644 [0,1,0,0,1,0|2,0,0]=4 2892 B13R2.2121 Cc1nc2cc(ccc2o1)O[13CH3] 34a_100000102623_200025704644 [0,1,0,0,1,0|2,0,0]=4 2893 B13R2.2121 Cc1nc2cc(ccc2o1)O[13CH3] 7a_100000102623_200025704644 [0,1,0,0,1,0|2,0,0]=4 2894 B13R2.2121 Cc1nc2cc(ccc2s1)O[13CH3] 34a_100000031546_200025704644 [0,1,0,0,1,0|2,0,0]=4 2895 B13R2.2121 Cc1nc2cc(ccc2s1)O[13CH3] 7a_100000031546_200025704644 [0,1,0,0,1,0|2,0,0]=4 2896 B13R2.2121 Cc1nc2ccc(cc2o1)N[13CH3] 34a_100000736495_200025704644 [0,1,0,0,1,0|2,0,0]=4 2897 B13R2.2121 Cc1nc2ccc(cc2o1)O[13CH3] 34a_100000116946_200025704644 [0,1,0,0,1,0|1,0,0]=3 2898 B13R2.2121 Cc1nc2ccc(cc2o1)O[13CH3] 7a_100000116946_200025704644 [0,1,0,0,1,0|1,0,0]=3 2899 B13R2.2121 Cc1nc2ccc(cc2o1)S[13CH3] 62a_200025704644_100010171164 [0,1,0,0,1,0|1,1,0]=4 2900 B13R2.2121 Cc1nc2ccc(cc2s1)O[13CH3] 34a_100000008955_200025704644 [0,1,0,0,1,0|1,0,0]=3 2901 B13R2.2121 Cc1nc2ccc(cc2s1)O[13CH3] 7a_100000008955_200025704644 [0,1,0,0,1,0|1,0,0]=3 2902 B13R2.2121 Cc1nc2ccc(cc2s1)S[13CH3] 62a_100009813144_200025704644 [0,1,0,0,1,0|1,1,0]=4 2903 B13R2.2121 Cc1nc2ccc(cc2s1)S[13CH3] 62a_200025704644_100009813144 [0,1,0,0,1,0|1,1,0]=4 2904 B13R2.2121 Cn1cc2cc(ccc2n1)N[13CH3] 34a_100000067545_200025704644 [0,1,0,0,1,0|2,0,0]=4 2905 B13R2.2121 Cn1cc2cc(ccc2n1)O[13CH3] 34a_100000106843_200025704644 [0,1,0,0,1,0|1,0,0]=3 2906 B13R2.2121 Cn1cc2cc(ccc2n1)S[13CH3] 62a_100009817163_200025704644 [0,1,0,0,1,0|1,1,0]=4 2907 B13R2.2121 Cn1cc2cc(ccc2n1)S[13CH3] 62a_200025704644_100009817163 [0,1,0,0,1,0|1,1,0]=4 2908 B13R2.2121 [13CH3]Oc1ccc2[nH]c(=O)oc2c1 7a_200000068749_200025704644 [0,1,0,0,1,0|1,0,1]=4 2909 B13R2.2121 [13CH3]Oc1ccc2c(c1)CC(=O)O2 34a_100000035078_200025704644 [0,1,0,0,1,0|1,0,1]=4 2910 B13R2.2121 [13CH3]Oc1ccc2c(c1)CC(=O)O2 7a_100000035078_200025704644 [0,1,0,0,1,0|1,0,1]=4 2911 B13R2.2121 [13CH3]Oc1ccc2nc(sc2c1)Br 7a_100010063415_200025704644 [0,1,0,0,1,0|1,0,0]=3 2912 B13R2.2121 [13CH3]Oc1ccc2nc(sc2c1)N 7a_100000012012_200025704644 [0,1,0,0,1,0|1,0,0]=3 2913 B13R2.2121 [13CH3]Oc1ccc2oc(nc2c1)Cl 34a_100010673232_200025704644 [0,1,0,0,1,0|2,0,0]=4 2914 B13R2.2121 [13CH3]Oc1ccc2oc(nc2c1)Cl 7a_100010673232_200025704644 [0,1,0,0,1,0|2,0,0]=4 2915 B13R2.2121 [13CH3]Oc1ccc2sc(nc2c1)N 7a_100000066538_200025704644 [0,1,0,0,1,0|2,0,0]=4 2916 B13R2.2121 [13CH3]Sc1ccc2nc([nH]c2c1)Cl 62a_200025704644_100010204286 [0,1,0,0,1,0|1,1,0]=4 2917 B13R2.2121 [13CH3]Sc1ccc2nc(sc2c1)Cl 62a_200025704644_100010163703 [0,1,0,0,1,0|1,1,0]=4 2918 B13R2.2121 [13CH3]Sc1ccc2nc(sc2c1)N 62a_100102524914_200025704644 [0,1,0,0,1,0|1,1,0]=4 2919 B13R2.2130 C=Cc1ccc2c(c1)C=CC2=O 271570a_100011290941_100010210589 [0,1,0,0,1,0|1,0,1]=4 2920 B13R2.2130 CNc1ccc2c(c1)ccn2C 34a_100011270241_200000210301 [0,1,0,0,1,0|1,0,1]=4 2921 B13R2.2130 COc1cc2[nH]cc(c2cn1)O 271570a_203496583355_200010168631 [0,1,0,0,1,0|2,0,0]=4 2922 B13R2.2130 COc1ccc2c(c1)CCC2=O 34a_100000708912_200000210301 [0,1,0,0,1,0|0,0,2]=4 2923 B13R2.2130 COc1ccc2c(c1)CCC2=O 7a_100000708912_200000210301 [0,1,0,0,1,0|0,0,2]=4 2924 B13R2.2130 COc1ccc2c(c1)CNC2=O 34a_100000098542_200000210301 [0,1,0,0,1,0|1,0,1]=4 2925 B13R2.2130 COc1ccc2c(c1)COC2=O 7a_100000044543_200000210301 [0,1,0,0,1,0|1,0,1]=4 2926 B13R2.2130 COc1ccc2c(c1)cnn2C 34a_100009859523_200000210301 [0,1,0,0,1,0|1,0,1]=4 2927 B13R2.2130 COc1ccc2c(c1)cnn2C 7a_100009859523_200000210301 [0,1,0,0,1,0|1,0,1]=4 2928 B13R2.2130 COc1ccc2c(c1)ncn2C 34a_100000028553_200000210301 [0,1,0,0,1,0|1,0,1]=4 2929 B13R2.2130 COc1ccc2c(n[nH]c2c1)O 271570a_203496583355_100000049672 [0,1,0,0,1,0|2,0,0]=4 2930 B13R2.2130 COc1ccc2c(noc2c1)C 34a_200000076027_200000210301 [0,1,0,0,1,0|2,0,0]=4 2931 B13R2.2130 COc1ccn2c(cnc2c1)O 271570a_203496583355_100010231830 [0,1,0,0,1,0|2,0,0]=4 2932 B13R2.2130 COc1cnc2c(c[nH]c2c1)O 271570a_203496583355_200010168573 [0,1,0,0,1,0|2,0,0]=4 2933 B13R2.2130 CSc1ccc2c(c1)C=CC2=O 62a_100010210589_200000210301 [0,1,0,0,1,0|0,1,0]=3 2934 B13R2.2130 CSc1ccc2c(c1)C=CC2=O 62a_200000210301_100010210589 [0,1,0,0,1,0|0,1,0]=3 2935 B13R2.2130 CSc1ccc2c(c1)ccn2C 62a_200000210301_100011202928 [0,1,0,0,1,0|0,1,1]=4 2936 B13R2.2130 CSc1ccc2c(c[nH]c2c1)C 62a_200000210301_100010209589 [0,1,0,0,1,0|1,1,0]=4 2937 B13R2.2130 CSc1ccc2c(coc2c1)C 62a_200000210301_100010775837 [0,1,0,0,1,0|1,1,0]=4 2938 B13R2.2130 Cc1c[nH]c2c1ccc(c2)S[13CH3] 62a_200025704644_100010209589 [0,1,0,0,1,0|1,1,0]=4 2939 B13R2.2130 Cc1coc2c1ccc(c2)S[13CH3] 62a_200025704644_100010775837 [0,1,0,0,1,0|1,1,0]=4 2940 B13R2.2130 Cc1noc2c1ccc(c2)O[13CH3] 34a_200000076027_200025704644 [0,1,0,0,1,0|2,0,0]=4 2941 B13R2.2130 Cn1ccc2c1ccc(c2)N[13CH3] 34a_100011270241_200025704644 [0,1,0,0,1,0|1,0,1]=4 2942 B13R2.2130 Cn1ccc2c1ccc(c2)S[13CH3] 62a_200025704644_100011202928 [0,1,0,0,1,0|0,1,1]=4 2943 B13R2.2130 Cn1cnc2c1ccc(c2)O[13CH3] 34a_100000028553_200025704644 [0,1,0,0,1,0|1,0,1]=4 2944 B13R2.2130 Cn1ncc2c1ccc(c2)O[13CH3] 34a_100009859523_200025704644 [0,1,0,0,1,0|1,0,1]=4 2945 B13R2.2130 Cn1ncc2c1ccc(c2)O[13CH3] 7a_100009859523_200025704644 [0,1,0,0,1,0|1,0,1]=4 2946 B13R2.2130 [13CH3]Oc1ccc2c(c1)CCC2=O 34a_100000708912_200025704644 [0,1,0,0,1,0|0,0,2]=4 2947 B13R2.2130 [13CH3]Oc1ccc2c(c1)CCC2=O 7a_100000708912_200025704644 [0,1,0,0,1,0|0,0,2]=4 2948 B13R2.2130 [13CH3]Oc1ccc2c(c1)CNC2=O 34a_100000098542_200025704644 [0,1,0,0,1,0|1,0,1]=4 2949 B13R2.2130 [13CH3]Oc1ccc2c(c1)COC2=O 7a_100000044543_200025704644 [0,1,0,0,1,0|1,0,1]=4 2950 B13R2.2130 [13CH3]Sc1ccc2c(c1)C=CC2=O 62a_100010210589_200025704644 [0,1,0,0,1,0|0,1,0]=3 2951 B13R2.2130 [13CH3]Sc1ccc2c(c1)C=CC2=O 62a_200025704644_100010210589 [0,1,0,0,1,0|0,1,0]=3 2952 B15R2.1237 CC(=O)C1=Cc2ccccc2OC=C1 1458a_200000089061_200000210301 [0,1,0,0,0,1|2,0,0]=4 2953 B15R2.1237 [13CH3]C(=O)C1=Cc2ccccc2OC=C1 1458a_200000089061_200025704644 [0,1,0,0,0,1|2,0,0]=4 2954 B15R2.274 C=Cc1c(cc2ncccc2c1F)F 271570a_100011290941_100010163946 [0,2,0,0,0,0|1,0,1]=4 2955 B15R2.274 CSc1c(cc2ncccc2c1F)F 62a_100010163946_200000210301 [0,2,0,0,0,0|0,1,0]=3 2956 B15R2.274 CSc1c(cc2ncccc2c1F)F 62a_200000210301_100010163946 [0,2,0,0,0,0|0,1,0]=3 2957 B15R2.274 [13CH3]Sc1c(cc2ncccc2c1F)F 62a_100010163946_200025704644 [0,2,0,0,0,0|0,1,0]=3 2958 B15R2.274 [13CH3]Sc1c(cc2ncccc2c1F)F 62a_200025704644_100010163946 [0,2,0,0,0,0|0,1,0]=3 2959 B15R2.627 C=C(C)c1ccc2ccccc2c1Br 271570a_100000694244_200010089984 [0,2,0,0,0,0|2,0,0]=4 2960 B15R2.627 C=C(C)c1ccc2ccccc2c1C 271570a_100000694244_100010221197 [0,2,0,0,0,0|2,0,0]=4 2961 B15R2.627 C=C(C)c1ccc2ccccc2c1F 271570a_100000694244_100009832041 [0,2,0,0,0,0|2,0,0]=4 2962 B15R2.627 C=C(C)c1ccc2ccccc2c1N 271570a_100000694244_100009817101 [0,2,0,0,0,0|2,0,0]=4 2963 B15R2.627 C=C(C)c1ccc2ccccc2c1O 271570a_100000694244_100009996032 [0,2,0,0,0,0|2,0,0]=4 2964 B15R2.627 C=C(C)c1ccc2ncccc2c1C 271570a_100000694244_200010137439 [0,2,0,0,0,0|1,0,0]=3 2965 B15R2.627 C=C(C)c1ccc2ncccc2c1N 271570a_100000694244_200010235790 [0,2,0,0,0,0|1,0,0]=3 2966 B15R2.627 C=C(C)c1ccc2nccnc2c1C 271570a_100000694244_100135414757 [0,2,0,0,0,0|2,0,0]=4 2967 B15R2.627 CC(=O)c1ccc2ccccc2c1Br 1458a_100000239384_200000210301 [0,2,0,0,0,0|2,0,0]=4 2968 B15R2.627 CC(=O)c1ccc2ccccc2c1O 1458a_100000181341_200000210301 [0,2,0,0,0,0|2,0,0]=4 2969 B15R2.627 Cc1c(ccc2c1nccn2)N(C)C 27a_100102631434_100135414757 [0,2,0,0,0,0|2,0,0]=4 2970 B15R2.627 [13CH3]C(=O)c1ccc2ccccc2c1Br 1458a_100000239384_200025704644 [0,2,0,0,0,0|2,0,0]=4 2971 B15R2.627 [13CH3]C(=O)c1ccc2ccccc2c1O 1458a_100000181341_200025704644 [0,2,0,0,0,0|2,0,0]=4 2972 B15R2.2115 C=Cc1c(ccc2c1cccc2)OC 271570a_100011290941_100000173347 [0,2,0,0,0,0|1,0,0]=3 2973 B15R2.2115 C=Cc1c(ccc2c1nccc2)OC 271570a_100011290941_100010071576 [0,2,0,0,0,0|2,0,0]=4 2974 B15R2.2115 CNc1c(ccc2c1cccc2)OC 34a_100009884440_200000210301 [0,2,0,0,0,0|1,0,0]=3 2975 B15R2.2115 CNc1ccc2ncccc2c1OC 34a_100009831023_200000210301 [0,2,0,0,0,0|1,0,0]=3 2976 B15R2.2115 COc1c(ccc2c1cccc2)SC 62a_200000210301_100010089960 [0,2,0,0,0,0|1,1,0]=4 2977 B15R2.2115 COc1c(ccc2c1cccc2)S[13CH3] 62a_200025704644_100010089960 [0,2,0,0,0,0|1,1,0]=4 2978 B15R2.2115 COc1c(ccc2c1cccn2)N[13CH3] 34a_100009831023_200025704644 [0,2,0,0,0,0|1,0,0]=3 2979 B15R2.2115 COc1ccc2ccccc2c1N=O 34a_100000212102_200000210301 [0,2,0,0,0,0|1,0,0]=3 2980 B15R2.2115 COc1ccc2ccccc2c1N=O 7a_100000212102_200000210301 [0,2,0,0,0,0|1,0,0]=3 2981 B15R2.2115 COc1ccc2ccccc2c1N[13CH3] 34a_100009884440_200025704644 [0,2,0,0,0,0|1,0,0]=3 2982 B15R2.2115 COc1ccc2ccccc2c1SC 62a_200000210301_100000173347 [0,2,0,0,0,0|1,0,0]=3 2983 B15R2.2115 COc1ccc2ccccc2c1S[13CH3] 62a_200025704644_100000173347 [0,2,0,0,0,0|1,0,0]=3 2984 B15R2.2115 COc1ccc2cccnc2c1SC 62a_200000210301_100010071576 [0,2,0,0,0,0|2,0,0]=4 2985 B15R2.2115 COc1ccc2cccnc2c1S[13CH3] 62a_200025704644_100010071576 [0,2,0,0,0,0|2,0,0]=4 2986 B15R2.2115 COc1cnc2ccccc2c1C#N 7a_100009853984_200000210301 [0,2,0,0,0,0|2,0,0]=4 2987 B15R2.2115 CSc1ccc2ccccc2c1C=O 62a_100010090029_200000210301 [0,2,0,0,0,0|1,1,0]=4 2988 B15R2.2115 [13CH3]Oc1ccc2ccccc2c1N=O 34a_100000212102_200025704644 [0,2,0,0,0,0|1,0,0]=3 2989 B15R2.2115 [13CH3]Oc1ccc2ccccc2c1N=O 7a_100000212102_200025704644 [0,2,0,0,0,0|1,0,0]=3 2990 B15R2.2115 [13CH3]Oc1cnc2ccccc2c1C#N 7a_100009853984_200025704644 [0,2,0,0,0,0|2,0,0]=4 2991 B15R2.2115 [13CH3]Sc1ccc2ccccc2c1C=O 62a_100010090029_200025704644 [0,2,0,0,0,0|1,1,0]=4 2992 B15R2.2220 C=C=Cc1ccc2ncccc2c1C 271570a_100015277604_200010137439 [0,2,0,0,0,0|1,0,1]=4 2993 B15R2.2220 C=C=Cc1ccc2ncccc2c1N 271570a_100015277604_200010235790 [0,2,0,0,0,0|1,0,1]=4 2994 B15R2.2220 CC=Cc1ccc2ccccc2c1Br 271570a_100016259895_200010089984 [0,2,0,0,0,0|2,0,0]=4 2995 B15R2.2220 CC=Cc1ccc2ccccc2c1C 271570a_100016259895_100010221197 [0,2,0,0,0,0|2,0,0]=4 2996 B15R2.2220 CC=Cc1ccc2ccccc2c1F 271570a_100016259895_100009832041 [0,2,0,0,0,0|2,0,0]=4 2997 B15R2.2220 CC=Cc1ccc2ccccc2c1N 271570a_100016259895_100009817101 [0,2,0,0,0,0|2,0,0]=4 2998 B15R2.2220 CC=Cc1ccc2ccccc2c1O 271570a_100016259895_100009996032 [0,2,0,0,0,0|2,0,0]=4 2999 B15R2.2220 CC=Cc1ccc2ncccc2c1C 271570a_100016259895_200010137439 [0,2,0,0,0,0|1,0,0]=3 3000 B15R2.2220 CC=Cc1ccc2ncccc2c1N 271570a_100016259895_200010235790 [0,2,0,0,0,0|1,0,0]=3 3001 B15R2.2220 CC=Cc1ccc2nccnc2c1C 271570a_100016259895_100135414757 [0,2,0,0,0,0|2,0,0]=4 3002 B15R2.2220 CCNc1ccc2ccccc2c1Br 34a_100000705303_100000210202 [0,2,0,0,0,0|2,0,0]=4 3003 B15R2.2220 CCNc1ccc2ccccc2c1Cl 34a_100000075557_100000210202 [0,2,0,0,0,0|2,0,0]=4 3004 B15R2.2220 CCNc1ccc2ccccc2c1O 34a_100000007060_100000210202 [0,2,0,0,0,0|2,0,0]=4 3005 B15R2.2220 CCNc1ccc2ncccc2c1Br 34a_200009995563_100000210202 [0,2,0,0,0,0|1,0,0]=3 3006 B15R2.2220 CCNc1ccc2nccnc2c1C 27a_100015525214_100135414757 [0,2,0,0,0,0|2,0,0]=4 3007 B15R2.2220 CCOc1ccc2ccccc2c1Br 34a_100000183829_100000210202 [0,2,0,0,0,0|1,0,0]=3 3008 B15R2.2220 CCOc1ccc2ccccc2c1Br 7a_100000183829_100000210202 [0,2,0,0,0,0|1,0,0]=3 3009 B15R2.2220 CCOc1ccc2ccccc2c1C 34a_100009830054_100000210202 [0,2,0,0,0,0|1,0,0]=3 3010 B15R2.2220 CCOc1ccc2ccccc2c1C 7a_100009830054_100000210202 [0,2,0,0,0,0|1,0,0]=3 3011 B15R2.2220 CCOc1ccc2ccccc2c1Cl 34a_100000029778_100000210202 [0,2,0,0,0,0|1,0,0]=3 3012 B15R2.2220 CCOc1ccc2ccccc2c1Cl 7a_100000029778_100000210202 [0,2,0,0,0,0|1,0,0]=3 3013 B15R2.2220 CCOc1ccc2ccccc2c1I 34a_100000041551_100000210202 [0,2,0,0,0,0|1,0,0]=3 3014 B15R2.2220 CCOc1ccc2ccccc2c1I 7a_100000041551_100000210202 [0,2,0,0,0,0|1,0,0]=3 3015 B15R2.2220 CCOc1ccc2ccccc2c1N 34a_100000007056_100000210202 [0,2,0,0,0,0|1,0,0]=3 3016 B15R2.2220 CCOc1ccc2ccccc2c1N 7a_100000007056_100000210202 [0,2,0,0,0,0|1,0,0]=3 3017 B15R2.2220 CCOc1ccc2ccccc2c1O 271570a_203496583355_200000173018 [0,2,0,0,0,0|1,0,0]=3 3018 B15R2.2220 CCOc1ccc2cccnc2c1Br 34a_100010173343_100000210202 [0,2,0,0,0,0|2,0,0]=4 3019 B15R2.2220 CCOc1ccc2cccnc2c1Br 7a_100010173343_100000210202 [0,2,0,0,0,0|2,0,0]=4 3020 B15R2.2220 CCOc1ccc2ccncc2c1Br 34a_200010115057_100000210202 [0,2,0,0,0,0|2,0,0]=4 3021 B15R2.2220 CCOc1ccc2ccncc2c1Br 7a_200010115057_100000210202 [0,2,0,0,0,0|2,0,0]=4 3022 B15R2.2220 CCOc1ccc2cnccc2c1Cl 34a_100009824633_100000210202 [0,2,0,0,0,0|2,0,0]=4 3023 B15R2.2220 CCOc1ccc2cnccc2c1Cl 7a_100009824633_100000210202 [0,2,0,0,0,0|2,0,0]=4 3024 B15R2.2220 CCSc1ccc2ccccc2c1Br 62a_100000210202_200010089984 [0,2,0,0,0,0|1,1,0]=4 3025 B15R2.2220 CCSc1ccc2ccccc2c1Br 62a_200010089984_100000210202 [0,2,0,0,0,0|1,1,0]=4 3026 B15R2.2220 CCSc1ccc2ccccc2c1C 62a_100000210202_100010221197 [0,2,0,0,0,0|1,1,0]=4 3027 B15R2.2220 CCSc1ccc2ccccc2c1C 62a_100010221197_100000210202 [0,2,0,0,0,0|1,1,0]=4 3028 B15R2.2220 CCSc1ccc2ccccc2c1F 62a_100000210202_100009832041 [0,2,0,0,0,0|1,1,0]=4 3029 B15R2.2220 CCSc1ccc2ccccc2c1F 62a_100009832041_100000210202 [0,2,0,0,0,0|1,1,0]=4 3030 B15R2.2220 CCSc1ccc2ccccc2c1N 62a_100009817101_100000210202 [0,2,0,0,0,0|1,1,0]=4 3031 B15R2.2220 CCSc1ccc2ccccc2c1O 62a_100000210202_100009996032 [0,2,0,0,0,0|1,1,0]=4 3032 B15R2.2220 CCSc1ccc2ncccc2c1C 62a_100000210202_200010137439 [0,2,0,0,0,0|0,1,0]=3 3033 B15R2.2220 CCSc1ccc2ncccc2c1C 62a_200010137439_100000210202 [0,2,0,0,0,0|0,1,0]=3 3034 B15R2.2220 CCSc1ccc2ncccc2c1N 62a_200010235790_100000210202 [0,2,0,0,0,0|0,1,0]=3 3035 B15R2.2220 CCSc1ccc2nccnc2c1C 62a_100000210202_100135414757 [0,2,0,0,0,0|1,1,0]=4 3036 B15R2.2220 CCSc1ccc2nccnc2c1C 62a_100135414757_100000210202 [0,2,0,0,0,0|1,1,0]=4 3037 B15R2.2220 CNCc1ccc2ccccc2c1Br 207a_100102657272_100009813496 [0,2,0,0,0,0|2,0,0]=4 3038 B15R2.2220 CNCc1ccc2ccccc2c1Br 2230a_106832991635_100009813938 [0,2,0,0,0,0|2,0,0]=4 3039 B15R2.2220 CNCc1ccc2ccccc2c1Br 26a_100102657272_100000183829 [0,2,0,0,0,0|2,0,0]=4 3040 B15R2.2220 CNCc1ccc2ccccc2c1Br 270004a_106832991635_100009813496 [0,2,0,0,0,0|2,0,0]=4 3041 B15R2.2220 CNCc1ccc2ccccc2c1Br 34a_100102657272_100009813938 [0,2,0,0,0,0|2,0,0]=4 3042 B15R2.2220 CNCc1ccc2ccccc2c1Br 7a_106832991635_100009813938 [0,2,0,0,0,0|2,0,0]=4 3043 B15R2.2220 COCc1ccc2ccccc2c1Br 34a_100138415774_100009813938 [0,2,0,0,0,0|1,0,0]=3 3044 B15R2.2220 COCc1ccc2ccccc2c1O 271570a_203496583355_200009813570 [0,2,0,0,0,0|1,0,0]=3 3045 B15R2.2220 CSCc1ccc2ccccc2c1Br 62a_100009813938_200000210301 [0,2,0,0,0,0|1,1,0]=4 3046 B15R2.2220 CSCc1ccc2ccccc2c1Br 62a_200000210301_100009813938 [0,2,0,0,0,0|1,1,0]=4 3047 B15R2.2220 Cc1c(ccc2c1cccc2)OCF 34a_100009830054_100015361967 [0,2,0,0,0,0|1,0,0]=3 3048 B15R2.2220 Cc1c(ccc2c1cccc2)OCF 7a_100009830054_100015361967 [0,2,0,0,0,0|1,0,0]=3 3049 B15R2.2220 Cc1c(ccc2c1cccc2)SCF 62a_100010221197_100015361967 [0,2,0,0,0,0|1,1,0]=4 3050 B15R2.2220 Cc1c(ccc2c1cccc2)SCF 62a_100015361967_100010221197 [0,2,0,0,0,0|1,1,0]=4 3051 B15R2.2220 Cc1c(ccc2c1cccn2)SCF 62a_100015361967_200010137439 [0,2,0,0,0,0|0,1,0]=3 3052 B15R2.2220 Cc1c(ccc2c1cccn2)SCF 62a_200010137439_100015361967 [0,2,0,0,0,0|0,1,0]=3 3053 B15R2.2220 Cc1c(ccc2c1nccn2)SCF 62a_100015361967_100135414757 [0,2,0,0,0,0|1,1,0]=4 3054 B15R2.2220 Cc1c(ccc2c1nccn2)SCF 62a_100135414757_100015361967 [0,2,0,0,0,0|1,1,0]=4 3055 B15R2.2220 FCNc1ccc2ccccc2c1Br 34a_100000705303_100015361967 [0,2,0,0,0,0|2,0,0]=4 3056 B15R2.2220 FCNc1ccc2ccccc2c1Cl 34a_100000075557_100015361967 [0,2,0,0,0,0|2,0,0]=4 3057 B15R2.2220 FCNc1ccc2ncccc2c1Br 34a_200009995563_100015361967 [0,2,0,0,0,0|1,0,0]=3 3058 B15R2.2220 FCOc1ccc2ccccc2c1Br 34a_100000183829_100015361967 [0,2,0,0,0,0|1,0,0]=3 3059 B15R2.2220 FCOc1ccc2ccccc2c1Br 7a_100000183829_100015361967 [0,2,0,0,0,0|1,0,0]=3 3060 B15R2.2220 FCOc1ccc2ccccc2c1Cl 34a_100000029778_100015361967 [0,2,0,0,0,0|1,0,0]=3 3061 B15R2.2220 FCOc1ccc2ccccc2c1Cl 7a_100000029778_100015361967 [0,2,0,0,0,0|1,0,0]=3 3062 B15R2.2220 FCOc1ccc2ccccc2c1I 34a_100000041551_100015361967 [0,2,0,0,0,0|1,0,0]=3 3063 B15R2.2220 FCOc1ccc2ccccc2c1I 7a_100000041551_100015361967 [0,2,0,0,0,0|1,0,0]=3 3064 B15R2.2220 FCOc1ccc2cccnc2c1Br 34a_100010173343_100015361967 [0,2,0,0,0,0|2,0,0]=4 3065 B15R2.2220 FCOc1ccc2cccnc2c1Br 7a_100010173343_100015361967 [0,2,0,0,0,0|2,0,0]=4 3066 B15R2.2220 FCOc1ccc2ccncc2c1Br 34a_200010115057_100015361967 [0,2,0,0,0,0|2,0,0]=4 3067 B15R2.2220 FCOc1ccc2ccncc2c1Br 7a_200010115057_100015361967 [0,2,0,0,0,0|2,0,0]=4 3068 B15R2.2220 FCOc1ccc2cnccc2c1Cl 34a_100009824633_100015361967 [0,2,0,0,0,0|2,0,0]=4 3069 B15R2.2220 FCOc1ccc2cnccc2c1Cl 7a_100009824633_100015361967 [0,2,0,0,0,0|2,0,0]=4 3070 B15R2.2220 FCSc1ccc2ccccc2c1Br 62a_100015361967_200010089984 [0,2,0,0,0,0|1,1,0]=4 3071 B15R2.2220 FCSc1ccc2ccccc2c1Br 62a_200010089984_100015361967 [0,2,0,0,0,0|1,1,0]=4 3072 B15R2.2220 FCSc1ccc2ccccc2c1F 62a_100009832041_100015361967 [0,2,0,0,0,0|1,1,0]=4 3073 B15R2.2220 FCSc1ccc2ccccc2c1F 62a_100015361967_100009832041 [0,2,0,0,0,0|1,1,0]=4 3074 B15R2.2220 Nc1c(ccc2c1cccc2)OCF 34a_100000007056_100015361967 [0,2,0,0,0,0|1,0,0]=3 3075 B15R2.2220 Nc1c(ccc2c1cccc2)OCF 7a_100000007056_100015361967 [0,2,0,0,0,0|1,0,0]=3 3076 B15R2.2220 Nc1c(ccc2c1cccc2)SCF 62a_100009817101_100015361967 [0,2,0,0,0,0|1,1,0]=4 3077 B15R2.2220 Nc1c(ccc2c1cccn2)SCF 62a_200010235790_100015361967 [0,2,0,0,0,0|0,1,0]=3 3078 B15R2.2220 Oc1c(ccc2c1cccc2)NCF 34a_100000007060_100015361967 [0,2,0,0,0,0|2,0,0]=4 3079 B15R2.2220 Oc1c(ccc2c1cccc2)SCF 62a_100015361967_100009996032 [0,2,0,0,0,0|1,1,0]=4 3080 B15R2.2220 [13CH3]SCc1ccc2ccccc2c1Br 62a_100009813938_200025704644 [0,2,0,0,0,0|1,1,0]=4 3081 B15R2.2220 [13CH3]SCc1ccc2ccccc2c1Br 62a_200025704644_100009813938 [0,2,0,0,0,0|1,1,0]=4 3082 B15R2.4774 COc1ccc2ccc(cc2c1O)C 271570a_203496583355_203437268721 [0,2,0,0,0,0|1,0,0]=3 3083 B15R2.4778 COc1ccc2cc(ccc2c1Br)Br 34a_100009812206_200000210301 [0,2,0,0,0,0|1,0,0]=3 3084 B15R2.4778 COc1ccc2cc(ccc2c1Br)Br 7a_100009812206_200000210301 [0,2,0,0,0,0|1,0,0]=3 3085 B15R2.4778 COc1ccc2cc(ccc2c1F)Br 34a_100010730138_200000210301 [0,2,0,0,0,0|1,0,0]=3 3086 B15R2.4778 COc1ccc2cc(ccc2c1F)Br 7a_100010730138_200000210301 [0,2,0,0,0,0|1,0,0]=3 3087 B15R2.4778 COc1ccc2nc(ccc2c1Br)C 34a_100010269489_200000210301 [0,2,0,0,0,0|0,0,0]=2 3088 B15R2.4778 COc1ccc2nc(ccc2c1Br)C 7a_100010269489_200000210301 [0,2,0,0,0,0|0,0,0]=2 3089 B15R2.4778 COc1ccc2nc(ccc2c1O)C 271570a_203496583355_100010269488 [0,2,0,0,0,0|0,0,0]=2 3090 B15R2.4778 Cc1ccc2c(c(ccc2n1)O[13CH3])Br 34a_100010269489_200025704644 [0,2,0,0,0,0|0,0,0]=2 3091 B15R2.4778 Cc1ccc2c(c(ccc2n1)O[13CH3])Br 7a_100010269489_200025704644 [0,2,0,0,0,0|0,0,0]=2 3092 B15R2.4778 [13CH3]Oc1ccc2cc(ccc2c1Br)Br 34a_100009812206_200025704644 [0,2,0,0,0,0|1,0,0]=3 3093 B15R2.4778 [13CH3]Oc1ccc2cc(ccc2c1Br)Br 7a_100009812206_200025704644 [0,2,0,0,0,0|1,0,0]=3 3094 B15R2.4778 [13CH3]Oc1ccc2cc(ccc2c1F)Br 34a_100010730138_200025704644 [0,2,0,0,0,0|1,0,0]=3 3095 B15R2.4778 [13CH3]Oc1ccc2cc(ccc2c1F)Br 7a_100010730138_200025704644 [0,2,0,0,0,0|1,0,0]=3 3096 B15R2.4844 CSc1ccc2nc[nH]c(=O)c2c1C 62a_200000210301_206256548267 [0,2,0,0,0,0|1,1,0]=4 3097 B15R2.4844 Cc1c(ccc2c1c(=O)[nH]cn2)S[13CH3] 62a_200025704644_206256548267 [0,2,0,0,0,0|1,1,0]=4 3098 B15R2.19973 C=Cc1cc(c2ncccc2c1F)F 271570a_100011290941_200009817093 [0,2,0,0,0,0|1,0,1]=4 3099 B15R2.19973 COc1cc(c2ncccc2c1F)O 271570a_203496583355_100010742067 [0,2,0,0,0,0|0,0,0]=2 3100 B15R2.19973 CSc1cc(c2ncccc2c1F)F 62a_200000210301_200009817093 [0,2,0,0,0,0|0,1,0]=3 3101 B15R2.19973 CSc1cc(c2ncccc2c1F)F 62a_200009817093_200000210301 [0,2,0,0,0,0|0,1,0]=3 3102 B15R2.19973 [13CH3]Sc1cc(c2ncccc2c1F)F 62a_200009817093_200025704644 [0,2,0,0,0,0|0,1,0]=3 3103 B15R2.19973 [13CH3]Sc1cc(c2ncccc2c1F)F 62a_200025704644_200009817093 [0,2,0,0,0,0|0,1,0]=3 3104 B15R2.352 C#CCNc1ccc2ccccc2c1 34a_100000211940_100000184674 [0,2,0,0,0,0|2,0,0]=4 3105 B15R2.352 C#CCNc1ccc2ccccc2c1 7a_100000211940_100000038162 [0,2,0,0,0,0|2,0,0]=4 3106 B15R2.352 C#CCNc1ccc2ncccc2c1 34a_100011198106_100000184674 [0,2,0,0,0,0|1,0,0]=3 3107 B15R2.352 C#CCNc1ccc2ncccc2n1 27a_100000212058_100000073381 [0,2,0,0,0,0|2,0,0]=4 3108 B15R2.352 C#CCNc1ccc2nccnc2c1 27a_100000212058_100011219451 [0,2,0,0,0,0|2,0,0]=4 3109 B15R2.352 C#CCNc1ccc2nccnc2c1 34a_100011219565_100000184674 [0,2,0,0,0,0|2,0,0]=4 3110 B15R2.352 C#CCOc1ccc2ccccc2c1 34a_100000185828_100000184674 [0,2,0,0,0,0|1,0,0]=3 3111 B15R2.352 C#CCOc1ccc2ccccc2c1 7a_100000185828_100000038162 [0,2,0,0,0,0|1,0,0]=3 3112 B15R2.352 C#CCOc1ccc2cccnc2c1 34a_100011216045_100000184674 [0,2,0,0,0,0|2,0,0]=4 3113 B15R2.352 C#CCOc1ccc2ccncc2c1 7a_100000752006_100000038162 [0,2,0,0,0,0|2,0,0]=4 3114 B15R2.352 C#CCOc1ccc2cnccc2c1 34a_100000046372_100000184674 [0,2,0,0,0,0|2,0,0]=4 3115 B15R2.352 C#CCOc1ccc2cnccc2c1 7a_100000046372_100000038162 [0,2,0,0,0,0|2,0,0]=4 3116 B15R2.352 C#CCOc1ccc2ncccc2c1 34a_100011215586_100000184674 [0,2,0,0,0,0|0,0,0]=2 3117 B15R2.352 C#CCOc1ccc2ncccc2c1 7a_100011215586_100000038162 [0,2,0,0,0,0|0,0,0]=2 3118 B15R2.352 C#CCOc1ccc2nccnc2c1 34a_100000694412_100000184674 [0,2,0,0,0,0|1,0,0]=3 3119 B15R2.352 C#CCOc1cnc2ccccc2c1 34a_100011934006_100000184674 [0,2,0,0,0,0|2,0,0]=4 3120 B15R2.352 C#CCOc1cnc2ccccc2c1 7a_100011934006_100000038162 [0,2,0,0,0,0|2,0,0]=4 3121 B15R2.352 C#CCSc1ccc2ccccc2c1 62a_100000038162_100000233703 [0,2,0,0,0,0|1,1,0]=4 3122 B15R2.352 C#CCSc1ccc2ncccc2c1 62a_100000038162_100011215947 [0,2,0,0,0,0|0,1,0]=3 3123 B15R2.352 C#CCSc1ccc2ncccc2n1 62a_100000038162_100000073381 [0,2,0,0,0,0|1,1,0]=4 3124 B15R2.352 C#CCSc1ccc2nccnc2c1 62a_100000038162_100011219451 [0,2,0,0,0,0|1,1,0]=4 3125 B15R2.352 C#CCSc1ccc2ncncc2c1 62a_100000038162_100009989443 [0,2,0,0,0,0|1,1,0]=4 3126 B15R2.352 C#CCSc1ccc2nnccc2c1 62a_100000038162_100010209549 [0,2,0,0,0,0|1,1,0]=4 3127 B15R2.352 C=CCNc1ccc2ccccc2c1 34a_100000211940_100015514636 [0,2,0,0,0,0|2,0,0]=4 3128 B15R2.352 C=CCNc1ccc2ccccc2c1 7a_100000211940_100015514636 [0,2,0,0,0,0|2,0,0]=4 3129 B15R2.352 C=CCNc1ccc2ncccc2c1 34a_100011198106_100015514636 [0,2,0,0,0,0|1,0,0]=3 3130 B15R2.352 C=CCNc1ccc2ncccc2n1 27a_100020586998_100000073381 [0,2,0,0,0,0|2,0,0]=4 3131 B15R2.352 C=CCNc1ccc2nccnc2c1 27a_100020586998_100011219451 [0,2,0,0,0,0|2,0,0]=4 3132 B15R2.352 C=CCNc1ccc2nccnc2c1 34a_100011219565_100015514636 [0,2,0,0,0,0|2,0,0]=4 3133 B15R2.352 C=CCOc1ccc2ccccc2c1 34a_100000185828_100015514636 [0,2,0,0,0,0|1,0,0]=3 3134 B15R2.352 C=CCOc1ccc2ccccc2c1 7a_100000185828_100015514636 [0,2,0,0,0,0|1,0,0]=3 3135 B15R2.352 C=CCOc1ccc2cccnc2c1 34a_100011216045_100015514636 [0,2,0,0,0,0|2,0,0]=4 3136 B15R2.352 C=CCOc1ccc2ccncc2c1 7a_100000752006_100015514636 [0,2,0,0,0,0|2,0,0]=4 3137 B15R2.352 C=CCOc1ccc2cnccc2c1 34a_100000046372_100015514636 [0,2,0,0,0,0|2,0,0]=4 3138 B15R2.352 C=CCOc1ccc2cnccc2c1 7a_100000046372_100015514636 [0,2,0,0,0,0|2,0,0]=4 3139 B15R2.352 C=CCOc1ccc2ncccc2c1 34a_100011215586_100015514636 [0,2,0,0,0,0|0,0,0]=2 3140 B15R2.352 C=CCOc1ccc2ncccc2c1 7a_100011215586_100015514636 [0,2,0,0,0,0|0,0,0]=2 3141 B15R2.352 C=CCOc1ccc2nccnc2c1 34a_100000694412_100015514636 [0,2,0,0,0,0|1,0,0]=3 3142 B15R2.352 C=CCOc1cnc2ccccc2c1 34a_100011934006_100015514636 [0,2,0,0,0,0|2,0,0]=4 3143 B15R2.352 C=CCOc1cnc2ccccc2c1 7a_100011934006_100015514636 [0,2,0,0,0,0|2,0,0]=4 3144 B15R2.352 C=CCSc1ccc2ccccc2c1 62a_100000210623_100000233703 [0,2,0,0,0,0|1,1,0]=4 3145 B15R2.352 C=CCSc1ccc2ncccc2c1 62a_100000210623_100011215947 [0,2,0,0,0,0|0,1,0]=3 3146 B15R2.352 C=CCSc1ccc2ncccc2c1 62a_100011215947_100000210623 [0,2,0,0,0,0|0,1,0]=3 3147 B15R2.352 C=CCSc1ccc2ncccc2n1 62a_100000210623_100000073381 [0,2,0,0,0,0|1,1,0]=4 3148 B15R2.352 C=CCSc1ccc2nccnc2c1 62a_100000210623_100011219451 [0,2,0,0,0,0|1,1,0]=4 3149 B15R2.352 C=CCSc1ccc2nccnc2c1 62a_100011219451_100000210623 [0,2,0,0,0,0|1,1,0]=4 3150 B15R2.352 C=CCSc1ccc2ncncc2c1 62a_100000210623_100009989443 [0,2,0,0,0,0|1,1,0]=4 3151 B15R2.352 C=CCSc1ccc2ncncc2c1 62a_100009989443_100000210623 [0,2,0,0,0,0|1,1,0]=4 3152 B15R2.352 C=CCSc1ccc2nnccc2c1 62a_100000210623_100010209549 [0,2,0,0,0,0|1,1,0]=4 3153 B15R2.352 C=CCSc1ccc2nnccc2c1 62a_100010209549_100000210623 [0,2,0,0,0,0|1,1,0]=4 3154 B15R2.352 CC=NNc1ccc2ccccc2c1 4a_100016987534_200000210099 [0,2,0,0,0,0|2,0,0]=4 3155 B15R2.352 CC=NNc1ccc2ncccc2c1 4a_100025741853_200000210099 [0,2,0,0,0,0|1,0,0]=3 3156 B15R2.352 CCCCc1ccc2ccccc2c1 271570a_100020621405_100000233703 [0,2,0,0,0,0|2,0,0]=4 3157 B15R2.352 CCCCc1ccc2ncccc2c1 271570a_100020621405_100000754243 [0,2,0,0,0,0|1,0,0]=3 3158 B15R2.352 CCCCc1ccc2ncccc2n1 271570a_100020621405_100000073381 [0,2,0,0,0,0|2,0,0]=4 3159 B15R2.352 CCCCc1ccc2nccnc2c1 271570a_100020621405_100011219451 [0,2,0,0,0,0|2,0,0]=4 3160 B15R2.352 CCCCc1ccc2ncncc2c1 271570a_100020621405_100009989443 [0,2,0,0,0,0|2,0,0]=4 3161 B15R2.352 CCCCc1ccc2nnccc2c1 271570a_100020621405_100010209549 [0,2,0,0,0,0|2,0,0]=4 3162 B15R2.352 CCCNc1ccc2ccccc2c1 34a_100000211940_100000210303 [0,2,0,0,0,0|2,0,0]=4 3163 B15R2.352 CCCNc1ccc2ccccc2c1 7a_100000211940_100000210303 [0,2,0,0,0,0|2,0,0]=4 3164 B15R2.352 CCCNc1ccc2ncccc2c1 34a_100011198106_100000210303 [0,2,0,0,0,0|1,0,0]=3 3165 B15R2.352 CCCNc1ccc2nccnc2c1 34a_100011219565_100000210303 [0,2,0,0,0,0|2,0,0]=4 3166 B15R2.352 CCCOc1ccc2ccccc2c1 34a_100000185828_100000210303 [0,2,0,0,0,0|1,0,0]=3 3167 B15R2.352 CCCOc1ccc2ccccc2c1 7a_100000185828_100000210303 [0,2,0,0,0,0|1,0,0]=3 3168 B15R2.352 CCCOc1ccc2cccnc2c1 34a_100011216045_100000210303 [0,2,0,0,0,0|2,0,0]=4 3169 B15R2.352 CCCOc1ccc2ccncc2c1 7a_100000752006_100000210303 [0,2,0,0,0,0|2,0,0]=4 3170 B15R2.352 CCCOc1ccc2cnccc2c1 34a_100000046372_100000210303 [0,2,0,0,0,0|2,0,0]=4 3171 B15R2.352 CCCOc1ccc2cnccc2c1 7a_100000046372_100000210303 [0,2,0,0,0,0|2,0,0]=4 3172 B15R2.352 CCCOc1ccc2ncccc2c1 34a_100011215586_100000210303 [0,2,0,0,0,0|0,0,0]=2 3173 B15R2.352 CCCOc1ccc2ncccc2c1 7a_100011215586_100000210303 [0,2,0,0,0,0|0,0,0]=2 3174 B15R2.352 CCCOc1ccc2nccnc2c1 34a_100000694412_100000210303 [0,2,0,0,0,0|1,0,0]=3 3175 B15R2.352 CCCOc1cnc2ccccc2c1 34a_100011934006_100000210303 [0,2,0,0,0,0|2,0,0]=4 3176 B15R2.352 CCCOc1cnc2ccccc2c1 7a_100011934006_100000210303 [0,2,0,0,0,0|2,0,0]=4 3177 B15R2.352 CCCSc1ccc2ccccc2c1 62a_100000210303_100000233703 [0,2,0,0,0,0|1,1,0]=4 3178 B15R2.352 CCCSc1ccc2ncccc2c1 62a_100000210303_100011215947 [0,2,0,0,0,0|0,1,0]=3 3179 B15R2.352 CCCSc1ccc2ncccc2c1 62a_100011215947_100000210303 [0,2,0,0,0,0|0,1,0]=3 3180 B15R2.352 CCCSc1ccc2ncccc2n1 62a_100000210303_100000073381 [0,2,0,0,0,0|1,1,0]=4 3181 B15R2.352 CCCSc1ccc2nccnc2c1 62a_100000210303_100011219451 [0,2,0,0,0,0|1,1,0]=4 3182 B15R2.352 CCCSc1ccc2nccnc2c1 62a_100011219451_100000210303 [0,2,0,0,0,0|1,1,0]=4 3183 B15R2.352 CCCSc1ccc2ncncc2c1 62a_100000210303_100009989443 [0,2,0,0,0,0|1,1,0]=4 3184 B15R2.352 CCCSc1ccc2ncncc2c1 62a_100009989443_100000210303 [0,2,0,0,0,0|1,1,0]=4 3185 B15R2.352 CCCSc1ccc2nnccc2c1 62a_100000210303_100010209549 [0,2,0,0,0,0|1,1,0]=4 3186 B15R2.352 CCCSc1ccc2nnccc2c1 62a_100010209549_100000210303 [0,2,0,0,0,0|1,1,0]=4 3187 B15R2.352 CCNCc1ccc2ccccc2c1 207a_100015525214_100000211584 [0,2,0,0,0,0|2,0,0]=4 3188 B15R2.352 CCNCc1ccc2ccccc2c1 2230a_100000739491_100000210202 [0,2,0,0,0,0|2,0,0]=4 3189 B15R2.352 CCNCc1ccc2ccccc2c1 2230a_100015525214_100011216711 [0,2,0,0,0,0|2,0,0]=4 3190 B15R2.352 CCNCc1ccc2ccccc2c1 270004a_100015525214_100000211584 [0,2,0,0,0,0|2,0,0]=4 3191 B15R2.352 CCNCc1ccc2ccccc2c1 34a_100000739491_100000210202 [0,2,0,0,0,0|2,0,0]=4 3192 B15R2.352 CCNCc1ccc2ncccc2c1 207a_100015525214_100000211315 [0,2,0,0,0,0|1,0,0]=3 3193 B15R2.352 CCNCc1ccc2ncccc2c1 2230a_100015525214_100000703657 [0,2,0,0,0,0|1,0,0]=3 3194 B15R2.352 CCNCc1ccc2ncccc2c1 270004a_100015525214_100000211315 [0,2,0,0,0,0|1,0,0]=3 3195 B15R2.352 CCNCc1ccc2ncccc2c1 34a_100000238500_100000210202 [0,2,0,0,0,0|1,0,0]=3 3196 B15R2.352 CCNCc1ccc2nccnc2c1 2230a_100015525214_200011762199 [0,2,0,0,0,0|2,0,0]=4 3197 B15R2.352 CCNCc1ccc2nccnc2c1 270004a_100015525214_100000239887 [0,2,0,0,0,0|2,0,0]=4 3198 B15R2.352 CCOCc1cc2ccccc2cn1 34a_100121572206_100009869231 [0,2,0,0,0,0|2,0,0]=4 3199 B15R2.352 CCOCc1ccc2ccccc2c1 34a_100011215330_100000210202 [0,2,0,0,0,0|1,0,0]=3 3200 B15R2.352 CCOCc1ccc2ccccc2c1 34a_100121572206_100011216711 [0,2,0,0,0,0|1,0,0]=3 3201 B15R2.352 CCOCc1ccc2ccccc2c1 7a_100011215330_100000210202 [0,2,0,0,0,0|1,0,0]=3 3202 B15R2.352 CCOCc1ccc2ccccc2n1 34a_100121572206_100000737579 [0,2,0,0,0,0|2,0,0]=4 3203 B15R2.352 CCOCc1ccc2cnccc2c1 34a_100121572206_100020605334 [0,2,0,0,0,0|2,0,0]=4 3204 B15R2.352 CCOCc1ccc2ncccc2c1 34a_100011315636_100000210202 [0,2,0,0,0,0|0,0,0]=2 3205 B15R2.352 CCOCc1ccc2ncccc2c1 34a_100121572206_100000703657 [0,2,0,0,0,0|0,0,0]=2 3206 B15R2.352 CCOCc1cnc2ccccc2c1 34a_100011258773_100000210202 [0,2,0,0,0,0|2,0,0]=4 3207 B15R2.352 CCSCc1ccc2ccccc2c1 62a_100000210202_100011216711 [0,2,0,0,0,0|1,1,0]=4 3208 B15R2.352 CCSCc1ccc2ccccc2c1 62a_100011216711_100000210202 [0,2,0,0,0,0|1,1,0]=4 3209 B15R2.352 CCSCc1ccc2ncccc2c1 62a_100000210202_100000703657 [0,2,0,0,0,0|0,1,0]=3 3210 B15R2.352 CCSCc1ccc2ncccc2c1 62a_100000703657_100000210202 [0,2,0,0,0,0|0,1,0]=3 3211 B15R2.352 CCSCc1ccc2nccnc2c1 62a_100000210202_200011762199 [0,2,0,0,0,0|1,1,0]=4 3212 B15R2.352 CCSCc1ccc2nccnc2c1 62a_200011762199_100000210202 [0,2,0,0,0,0|1,1,0]=4 3213 B15R2.352 CNCCc1ccc2ccccc2c1 2230a_100000746582_200000210301 [0,2,0,0,0,0|2,0,0]=4 3214 B15R2.352 CNCCc1ccc2ccccc2c1 34a_100000746582_200000210301 [0,2,0,0,0,0|2,0,0]=4 3215 B15R2.352 COCCc1ccc2ccccc2c1 34a_100000755654_200000210301 [0,2,0,0,0,0|1,0,0]=3 3216 B15R2.352 COCCc1ccc2ccccc2c1 7a_100000755654_200000210301 [0,2,0,0,0,0|1,0,0]=3 3217 B15R2.352 COCCc1ccc2ccccc2n1 34a_100011996444_200000210301 [0,2,0,0,0,0|2,0,0]=4 3218 B15R2.352 COCSc1cc2ccccc2cn1 62a_100000766300_100000047361 [0,2,0,0,0,0|2,0,0]=4 3219 B15R2.352 COCSc1cc2ccccc2cn1 62a_100009816522_100000766300 [0,2,0,0,0,0|2,0,0]=4 3220 B15R2.352 COCSc1cc2nccnc2cn1 62a_100000766300_100010370699 [0,2,0,0,0,0|2,0,0]=4 3221 B15R2.352 COCSc1cc2nccnc2cn1 62a_100010370699_100000766300 [0,2,0,0,0,0|2,0,0]=4 3222 B15R2.352 COCSc1ccc2ccccc2c1 62a_100000766300_100000233703 [0,2,0,0,0,0|1,0,0]=3 3223 B15R2.352 COCSc1ccc2ccccc2n1 62a_100000766300_100011291633 [0,2,0,0,0,0|2,0,0]=4 3224 B15R2.352 COCSc1ccc2ccccc2n1 62a_100011291633_100000766300 [0,2,0,0,0,0|2,0,0]=4 3225 B15R2.352 COCSc1ccc2cccnc2c1 62a_100000766300_100009816655 [0,2,0,0,0,0|2,0,0]=4 3226 B15R2.352 COCSc1ccc2ccncc2c1 62a_100000686496_100000766300 [0,2,0,0,0,0|2,0,0]=4 3227 B15R2.352 COCSc1ccc2ccncc2c1 62a_100000766300_100000686496 [0,2,0,0,0,0|2,0,0]=4 3228 B15R2.352 COCSc1ccc2cnccc2c1 62a_100000766300_100009816743 [0,2,0,0,0,0|2,0,0]=4 3229 B15R2.352 COCSc1ccc2cnccc2c1 62a_100009816743_100000766300 [0,2,0,0,0,0|2,0,0]=4 3230 B15R2.352 COCSc1ccc2ncccc2c1 62a_100000766300_100011215947 [0,2,0,0,0,0|0,0,0]=2 3231 B15R2.352 COCSc1ccc2ncccc2c1 62a_100011215947_100000766300 [0,2,0,0,0,0|0,0,0]=2 3232 B15R2.352 COCSc1ccc2ncccc2n1 62a_100000766300_100000073381 [0,2,0,0,0,0|1,0,0]=3 3233 B15R2.352 COCSc1ccc2nccnc2c1 62a_100000766300_100011219451 [0,2,0,0,0,0|1,0,0]=3 3234 B15R2.352 COCSc1ccc2nccnc2c1 62a_100011219451_100000766300 [0,2,0,0,0,0|1,0,0]=3 3235 B15R2.352 COCSc1ccc2nccnc2n1 62a_100000766300_100012351543 [0,2,0,0,0,0|2,0,0]=4 3236 B15R2.352 COCSc1ccc2nccnc2n1 62a_100012351543_100000766300 [0,2,0,0,0,0|2,0,0]=4 3237 B15R2.352 COCSc1ccc2ncncc2c1 62a_100000766300_100009989443 [0,2,0,0,0,0|1,0,0]=3 3238 B15R2.352 COCSc1ccc2ncncc2c1 62a_100009989443_100000766300 [0,2,0,0,0,0|1,0,0]=3 3239 B15R2.352 COCSc1ccc2nnccc2c1 62a_100000766300_100010209549 [0,2,0,0,0,0|1,0,0]=3 3240 B15R2.352 COCSc1ccc2nnccc2c1 62a_100010209549_100000766300 [0,2,0,0,0,0|1,0,0]=3 3241 B15R2.352 COCSc1cnc2ccccc2c1 62a_100000766300_100000737414 [0,2,0,0,0,0|2,0,0]=4 3242 B15R2.352 COCSc1cnc2ncccc2n1 62a_100000084304_100000766300 [0,2,0,0,0,0|2,0,0]=4 3243 B15R2.352 COCSc1cnc2ncccc2n1 62a_100000766300_100000084304 [0,2,0,0,0,0|2,0,0]=4 3244 B15R2.352 COCSc1cnc2nccnc2c1 62a_100000753224_100000766300 [0,2,0,0,0,0|2,0,0]=4 3245 B15R2.352 COCSc1cnc2nccnc2c1 62a_100000766300_100000753224 [0,2,0,0,0,0|2,0,0]=4 3246 B15R2.352 CSCNc1ccc2ccccc2c1 34a_100000211940_100011218213 [0,2,0,0,0,0|1,1,0]=4 3247 B15R2.352 CSCNc1ccc2ncccc2c1 34a_100011198106_100011218213 [0,2,0,0,0,0|0,1,0]=3 3248 B15R2.352 CSCNc1ccc2nccnc2c1 34a_100011219565_100011218213 [0,2,0,0,0,0|1,1,0]=4 3249 B15R2.352 CSCOc1ccc2ccccc2c1 34a_100000185828_100011218213 [0,2,0,0,0,0|1,0,0]=3 3250 B15R2.352 CSCOc1ccc2cccnc2c1 34a_100011216045_100011218213 [0,2,0,0,0,0|2,0,0]=4 3251 B15R2.352 CSCOc1ccc2cnccc2c1 34a_100000046372_100011218213 [0,2,0,0,0,0|2,0,0]=4 3252 B15R2.352 CSCOc1ccc2ncccc2c1 34a_100011215586_100011218213 [0,2,0,0,0,0|0,0,0]=2 3253 B15R2.352 CSCOc1ccc2nccnc2c1 34a_100000694412_100011218213 [0,2,0,0,0,0|1,0,0]=3 3254 B15R2.352 CSCOc1cnc2ccccc2c1 34a_100011934006_100011218213 [0,2,0,0,0,0|2,0,0]=4 3255 B15R2.352 CSCSc1ccc2ccccc2c1 62a_100011218213_100000233703 [0,2,0,0,0,0|1,1,0]=4 3256 B15R2.352 CSCSc1ccc2ncccc2c1 62a_100011215947_100011218213 [0,2,0,0,0,0|0,1,0]=3 3257 B15R2.352 CSCSc1ccc2ncccc2c1 62a_100011218213_100011215947 [0,2,0,0,0,0|0,1,0]=3 3258 B15R2.352 CSCSc1ccc2ncccc2n1 62a_100011218213_100000073381 [0,2,0,0,0,0|1,1,0]=4 3259 B15R2.352 CSCSc1ccc2nccnc2c1 62a_100011218213_100011219451 [0,2,0,0,0,0|1,1,0]=4 3260 B15R2.352 CSCSc1ccc2nccnc2c1 62a_100011219451_100011218213 [0,2,0,0,0,0|1,1,0]=4 3261 B15R2.352 CSCSc1ccc2ncncc2c1 62a_100009989443_100011218213 [0,2,0,0,0,0|1,1,0]=4 3262 B15R2.352 CSCSc1ccc2ncncc2c1 62a_100011218213_100009989443 [0,2,0,0,0,0|1,1,0]=4 3263 B15R2.352 CSCSc1ccc2nnccc2c1 62a_100010209549_100011218213 [0,2,0,0,0,0|1,1,0]=4 3264 B15R2.352 CSCSc1ccc2nnccc2c1 62a_100011218213_100010209549 [0,2,0,0,0,0|1,1,0]=4 3265 B15R2.352 FCCNc1ccc2ccccc2c1 34a_100000211940_100011217306 [0,2,0,0,0,0|2,0,0]=4 3266 B15R2.352 FCCNc1ccc2ccccc2c1 7a_100000211940_100011217306 [0,2,0,0,0,0|2,0,0]=4 3267 B15R2.352 FCCNc1ccc2ncccc2c1 34a_100011198106_100011217306 [0,2,0,0,0,0|1,0,0]=3 3268 B15R2.352 FCCNc1ccc2nccnc2c1 34a_100011219565_100011217306 [0,2,0,0,0,0|2,0,0]=4 3269 B15R2.352 FCCOc1ccc2ccccc2c1 34a_100000185828_100011217306 [0,2,0,0,0,0|1,0,0]=3 3270 B15R2.352 FCCOc1ccc2ccccc2c1 7a_100000185828_100011217306 [0,2,0,0,0,0|1,0,0]=3 3271 B15R2.352 FCCOc1ccc2cccnc2c1 34a_100011216045_100011217306 [0,2,0,0,0,0|2,0,0]=4 3272 B15R2.352 FCCOc1ccc2ccncc2c1 7a_100000752006_100011217306 [0,2,0,0,0,0|2,0,0]=4 3273 B15R2.352 FCCOc1ccc2cnccc2c1 34a_100000046372_100011217306 [0,2,0,0,0,0|2,0,0]=4 3274 B15R2.352 FCCOc1ccc2cnccc2c1 7a_100000046372_100011217306 [0,2,0,0,0,0|2,0,0]=4 3275 B15R2.352 FCCOc1ccc2ncccc2c1 34a_100011215586_100011217306 [0,2,0,0,0,0|0,0,0]=2 3276 B15R2.352 FCCOc1ccc2ncccc2c1 7a_100011215586_100011217306 [0,2,0,0,0,0|0,0,0]=2 3277 B15R2.352 FCCOc1ccc2nccnc2c1 34a_100000694412_100011217306 [0,2,0,0,0,0|1,0,0]=3 3278 B15R2.352 FCCOc1cnc2ccccc2c1 34a_100011934006_100011217306 [0,2,0,0,0,0|2,0,0]=4 3279 B15R2.352 FCCOc1cnc2ccccc2c1 7a_100011934006_100011217306 [0,2,0,0,0,0|2,0,0]=4 3280 B15R2.352 FCCSc1ccc2ccccc2c1 62a_100011217306_100000233703 [0,2,0,0,0,0|1,1,0]=4 3281 B15R2.352 FCCSc1ccc2ncccc2c1 62a_100011215947_100011217306 [0,2,0,0,0,0|0,1,0]=3 3282 B15R2.352 FCCSc1ccc2ncccc2c1 62a_100011217306_100011215947 [0,2,0,0,0,0|0,1,0]=3 3283 B15R2.352 FCCSc1ccc2ncccc2n1 62a_100011217306_100000073381 [0,2,0,0,0,0|1,1,0]=4 3284 B15R2.352 FCCSc1ccc2nccnc2c1 62a_100011217306_100011219451 [0,2,0,0,0,0|1,1,0]=4 3285 B15R2.352 FCCSc1ccc2nccnc2c1 62a_100011219451_100011217306 [0,2,0,0,0,0|1,1,0]=4 3286 B15R2.352 FCCSc1ccc2ncncc2c1 62a_100009989443_100011217306 [0,2,0,0,0,0|1,1,0]=4 3287 B15R2.352 FCCSc1ccc2ncncc2c1 62a_100011217306_100009989443 [0,2,0,0,0,0|1,1,0]=4 3288 B15R2.352 FCCSc1ccc2nnccc2c1 62a_100010209549_100011217306 [0,2,0,0,0,0|1,1,0]=4 3289 B15R2.352 FCCSc1ccc2nnccc2c1 62a_100011217306_100010209549 [0,2,0,0,0,0|1,1,0]=4 3290 B15R2.352 FCNCc1ccc2ccccc2c1 34a_100000739491_100015361967 [0,2,0,0,0,0|2,0,0]=4 3291 B15R2.352 FCNCc1ccc2ncccc2c1 34a_100000238500_100015361967 [0,2,0,0,0,0|1,0,0]=3 3292 B15R2.352 FCOCc1ccc2ccccc2c1 34a_100011215330_100015361967 [0,2,0,0,0,0|1,0,0]=3 3293 B15R2.352 FCOCc1ccc2ccccc2c1 7a_100011215330_100015361967 [0,2,0,0,0,0|1,0,0]=3 3294 B15R2.352 FCOCc1ccc2ncccc2c1 34a_100011315636_100015361967 [0,2,0,0,0,0|0,0,0]=2 3295 B15R2.352 FCOCc1cnc2ccccc2c1 34a_100011258773_100015361967 [0,2,0,0,0,0|2,0,0]=4 3296 B15R2.352 FCSCc1ccc2ccccc2c1 62a_100011216711_100015361967 [0,2,0,0,0,0|1,1,0]=4 3297 B15R2.352 FCSCc1ccc2ccccc2c1 62a_100015361967_100011216711 [0,2,0,0,0,0|1,1,0]=4 3298 B15R2.352 FCSCc1ccc2ncccc2c1 62a_100000703657_100015361967 [0,2,0,0,0,0|0,1,0]=3 3299 B15R2.352 FCSCc1ccc2ncccc2c1 62a_100015361967_100000703657 [0,2,0,0,0,0|0,1,0]=3 3300 B15R2.352 FCSCc1ccc2nccnc2c1 62a_100015361967_200011762199 [0,2,0,0,0,0|1,1,0]=4 3301 B15R2.352 FCSCc1ccc2nccnc2c1 62a_200011762199_100015361967 [0,2,0,0,0,0|1,1,0]=4 3302 B15R2.352 N#CCNc1ccc2ccccc2c1 7a_100000211940_100011215382 [0,2,0,0,0,0|2,0,0]=4 3303 B15R2.352 N#CCOc1ccc2ccccc2c1 7a_100000185828_100011215382 [0,2,0,0,0,0|1,0,0]=3 3304 B15R2.352 N#CCOc1ccc2ccncc2c1 7a_100000752006_100011215382 [0,2,0,0,0,0|2,0,0]=4 3305 B15R2.352 N#CCOc1ccc2cnccc2c1 7a_100000046372_100011215382 [0,2,0,0,0,0|2,0,0]=4 3306 B15R2.352 N#CCOc1ccc2ncccc2c1 7a_100011215586_100011215382 [0,2,0,0,0,0|0,0,0]=2 3307 B15R2.352 N#CCOc1cnc2ccccc2c1 7a_100011934006_100011215382 [0,2,0,0,0,0|2,0,0]=4 3308 B15R2.352 N#CCSc1ccc2ccccc2c1 62a_100011215382_100000233703 [0,2,0,0,0,0|1,1,0]=4 3309 B15R2.352 N#CCSc1ccc2ncccc2c1 62a_100011215382_100011215947 [0,2,0,0,0,0|0,1,0]=3 3310 B15R2.352 N#CCSc1ccc2ncccc2c1 62a_100011215947_100011215382 [0,2,0,0,0,0|0,1,0]=3 3311 B15R2.352 N#CCSc1ccc2ncccc2n1 62a_100011215382_100000073381 [0,2,0,0,0,0|1,1,0]=4 3312 B15R2.352 N#CCSc1ccc2nccnc2c1 62a_100011215382_100011219451 [0,2,0,0,0,0|1,1,0]=4 3313 B15R2.352 N#CCSc1ccc2nccnc2c1 62a_100011219451_100011215382 [0,2,0,0,0,0|1,1,0]=4 3314 B15R2.352 N#CCSc1ccc2ncncc2c1 62a_100009989443_100011215382 [0,2,0,0,0,0|1,1,0]=4 3315 B15R2.352 N#CCSc1ccc2ncncc2c1 62a_100011215382_100009989443 [0,2,0,0,0,0|1,1,0]=4 3316 B15R2.352 N#CCSc1ccc2nnccc2c1 62a_100010209549_100011215382 [0,2,0,0,0,0|1,1,0]=4 3317 B15R2.352 N#CCSc1ccc2nnccc2c1 62a_100011215382_100010209549 [0,2,0,0,0,0|1,1,0]=4 3318 B15R2.352 O=CCNc1ccc2ccccc2c1 34a_100000211940_200009817547 [0,2,0,0,0,0|2,0,0]=4 3319 B15R2.352 O=CCNc1ccc2ccccc2c1 7a_100000211940_200015260668 [0,2,0,0,0,0|2,0,0]=4 3320 B15R2.352 O=CCNc1ccc2ncccc2c1 34a_100011198106_200009817547 [0,2,0,0,0,0|1,0,0]=3 3321 B15R2.352 O=CCNc1ccc2nccnc2c1 34a_100011219565_200009817547 [0,2,0,0,0,0|2,0,0]=4 3322 B15R2.352 O=CCOc1ccc2ccccc2c1 34a_100000185828_200009817547 [0,2,0,0,0,0|1,0,0]=3 3323 B15R2.352 O=CCOc1ccc2ccccc2c1 7a_100000185828_200015260668 [0,2,0,0,0,0|1,0,0]=3 3324 B15R2.352 O=CCOc1ccc2cccnc2c1 34a_100011216045_200009817547 [0,2,0,0,0,0|2,0,0]=4 3325 B15R2.352 O=CCOc1ccc2ccncc2c1 7a_100000752006_200015260668 [0,2,0,0,0,0|2,0,0]=4 3326 B15R2.352 O=CCOc1ccc2cnccc2c1 34a_100000046372_200009817547 [0,2,0,0,0,0|2,0,0]=4 3327 B15R2.352 O=CCOc1ccc2cnccc2c1 7a_100000046372_200015260668 [0,2,0,0,0,0|2,0,0]=4 3328 B15R2.352 O=CCOc1ccc2ncccc2c1 34a_100011215586_200009817547 [0,2,0,0,0,0|0,0,0]=2 3329 B15R2.352 O=CCOc1ccc2ncccc2c1 7a_100011215586_200015260668 [0,2,0,0,0,0|0,0,0]=2 3330 B15R2.352 O=CCOc1ccc2nccnc2c1 34a_100000694412_200009817547 [0,2,0,0,0,0|1,0,0]=3 3331 B15R2.352 O=CCOc1cnc2ccccc2c1 34a_100011934006_200009817547 [0,2,0,0,0,0|2,0,0]=4 3332 B15R2.352 O=CCOc1cnc2ccccc2c1 7a_100011934006_200015260668 [0,2,0,0,0,0|2,0,0]=4 3333 B15R2.352 O=CCSc1ccc2ccccc2c1 62a_200015260668_100000233703 [0,2,0,0,0,0|1,1,0]=4 3334 B15R2.352 O=CCSc1ccc2ncccc2c1 62a_100011215947_200015260668 [0,2,0,0,0,0|0,1,0]=3 3335 B15R2.352 O=CCSc1ccc2ncccc2c1 62a_200015260668_100011215947 [0,2,0,0,0,0|0,1,0]=3 3336 B15R2.352 O=CCSc1ccc2ncccc2n1 62a_200015260668_100000073381 [0,2,0,0,0,0|1,1,0]=4 3337 B15R2.352 O=CCSc1ccc2nccnc2c1 62a_100011219451_200015260668 [0,2,0,0,0,0|1,1,0]=4 3338 B15R2.352 O=CCSc1ccc2nccnc2c1 62a_200015260668_100011219451 [0,2,0,0,0,0|1,1,0]=4 3339 B15R2.352 O=CCSc1ccc2ncncc2c1 62a_100009989443_200015260668 [0,2,0,0,0,0|1,1,0]=4 3340 B15R2.352 O=CCSc1ccc2ncncc2c1 62a_200015260668_100009989443 [0,2,0,0,0,0|1,1,0]=4 3341 B15R2.352 O=CCSc1ccc2nnccc2c1 62a_100010209549_200015260668 [0,2,0,0,0,0|1,1,0]=4 3342 B15R2.352 O=CCSc1ccc2nnccc2c1 62a_200015260668_100010209549 [0,2,0,0,0,0|1,1,0]=4 3343 B15R2.352 OCCNc1ccc2ccccc2c1 34a_100000211940_100000211926 [0,2,0,0,0,0|2,0,0]=4 3344 B15R2.352 OCCNc1ccc2ccccc2c1 7a_100000211940_100000211926 [0,2,0,0,0,0|2,0,0]=4 3345 B15R2.352 OCCNc1ccc2ncccc2c1 34a_100011198106_100000211926 [0,2,0,0,0,0|1,0,0]=3 3346 B15R2.352 OCCNc1ccc2ncccc2n1 27a_100000210304_100000073381 [0,2,0,0,0,0|2,0,0]=4 3347 B15R2.352 OCCNc1ccc2nccnc2c1 27a_100000210304_100011219451 [0,2,0,0,0,0|2,0,0]=4 3348 B15R2.352 OCCNc1ccc2nccnc2c1 34a_100011219565_100000211926 [0,2,0,0,0,0|2,0,0]=4 3349 B15R2.352 OCCOc1ccc2ccccc2c1 34a_100000185828_100000211926 [0,2,0,0,0,0|1,0,0]=3 3350 B15R2.352 OCCOc1ccc2ccccc2c1 7a_100000185828_100000211926 [0,2,0,0,0,0|1,0,0]=3 3351 B15R2.352 OCCOc1ccc2cccnc2c1 34a_100011216045_100000211926 [0,2,0,0,0,0|2,0,0]=4 3352 B15R2.352 OCCOc1ccc2ccncc2c1 7a_100000752006_100000211926 [0,2,0,0,0,0|2,0,0]=4 3353 B15R2.352 OCCOc1ccc2cnccc2c1 34a_100000046372_100000211926 [0,2,0,0,0,0|2,0,0]=4 3354 B15R2.352 OCCOc1ccc2cnccc2c1 7a_100000046372_100000211926 [0,2,0,0,0,0|2,0,0]=4 3355 B15R2.352 OCCOc1ccc2ncccc2c1 34a_100011215586_100000211926 [0,2,0,0,0,0|0,0,0]=2 3356 B15R2.352 OCCOc1ccc2ncccc2c1 7a_100011215586_100000211926 [0,2,0,0,0,0|0,0,0]=2 3357 B15R2.352 OCCOc1ccc2nccnc2c1 34a_100000694412_100000211926 [0,2,0,0,0,0|1,0,0]=3 3358 B15R2.352 OCCOc1cnc2ccccc2c1 34a_100011934006_100000211926 [0,2,0,0,0,0|2,0,0]=4 3359 B15R2.352 OCCOc1cnc2ccccc2c1 7a_100011934006_100000211926 [0,2,0,0,0,0|2,0,0]=4 3360 B15R2.352 OCCSc1ccc2ccccc2c1 62a_100000211926_100000233703 [0,2,0,0,0,0|1,1,0]=4 3361 B15R2.352 OCCSc1ccc2ncccc2c1 62a_100000211926_100011215947 [0,2,0,0,0,0|0,1,0]=3 3362 B15R2.352 OCCSc1ccc2ncccc2c1 62a_100011215947_100000211926 [0,2,0,0,0,0|0,1,0]=3 3363 B15R2.352 OCCSc1ccc2ncccc2n1 62a_100000211926_100000073381 [0,2,0,0,0,0|1,1,0]=4 3364 B15R2.352 OCCSc1ccc2nccnc2c1 62a_100000211926_100011219451 [0,2,0,0,0,0|1,1,0]=4 3365 B15R2.352 OCCSc1ccc2nccnc2c1 62a_100011219451_100000211926 [0,2,0,0,0,0|1,1,0]=4 3366 B15R2.352 OCCSc1ccc2ncncc2c1 62a_100000211926_100009989443 [0,2,0,0,0,0|1,1,0]=4 3367 B15R2.352 OCCSc1ccc2ncncc2c1 62a_100009989443_100000211926 [0,2,0,0,0,0|1,1,0]=4 3368 B15R2.352 OCCSc1ccc2nnccc2c1 62a_100000211926_100010209549 [0,2,0,0,0,0|1,1,0]=4 3369 B15R2.352 OCCSc1ccc2nnccc2c1 62a_100010209549_100000211926 [0,2,0,0,0,0|1,1,0]=4 3370 B15R2.352 [13CH3]NCCc1ccc2ccccc2c1 2230a_100000746582_200025704644 [0,2,0,0,0,0|2,0,0]=4 3371 B15R2.352 [13CH3]NCCc1ccc2ccccc2c1 34a_100000746582_200025704644 [0,2,0,0,0,0|2,0,0]=4 3372 B15R2.352 [13CH3]OCCc1ccc2ccccc2c1 34a_100000755654_200025704644 [0,2,0,0,0,0|1,0,0]=3 3373 B15R2.352 [13CH3]OCCc1ccc2ccccc2c1 7a_100000755654_200025704644 [0,2,0,0,0,0|1,0,0]=3 3374 B15R2.352 [13CH3]OCCc1ccc2ccccc2n1 34a_100011996444_200025704644 [0,2,0,0,0,0|2,0,0]=4 3375 B15R2.886 C=C=Cc1cc(c2ncccc2c1)C 271570a_100015277604_100010130319 [0,2,0,0,0,0|1,0,1]=4 3376 B15R2.886 C=C=Cc1cc(c2ncccc2c1)Cl 271570a_100015277604_200010369337 [0,2,0,0,0,0|1,0,1]=4 3377 B15R2.886 C=C=Cc1cc(c2ncccc2c1)F 271570a_100015277604_100010234705 [0,2,0,0,0,0|1,0,1]=4 3378 B15R2.886 C=C=Cc1cc(c2ncccc2c1)N 271570a_100015277604_100009814519 [0,2,0,0,0,0|1,0,1]=4 3379 B15R2.886 C=C=Cc1cc(c2ncccc2c1)O 271570a_100015277604_100010248853 [0,2,0,0,0,0|1,0,1]=4 3380 B15R2.886 CC=Cc1cc(c2ccccc2c1)N 271570a_100016259895_100010171453 [0,2,0,0,0,0|2,0,0]=4 3381 B15R2.886 CC=Cc1cc(c2ccccc2c1)O 271570a_100016259895_100010089979 [0,2,0,0,0,0|2,0,0]=4 3382 B15R2.886 CC=Cc1cc(c2ncccc2c1)C 271570a_100016259895_100010130319 [0,2,0,0,0,0|1,0,0]=3 3383 B15R2.886 CC=Cc1cc(c2ncccc2c1)Cl 271570a_100016259895_200010369337 [0,2,0,0,0,0|1,0,0]=3 3384 B15R2.886 CC=Cc1cc(c2ncccc2c1)F 271570a_100016259895_100010234705 [0,2,0,0,0,0|1,0,0]=3 3385 B15R2.886 CC=Cc1cc(c2ncccc2c1)N 271570a_100016259895_100009814519 [0,2,0,0,0,0|1,0,0]=3 3386 B15R2.886 CC=Cc1cc(c2ncccc2c1)O 271570a_100016259895_100010248853 [0,2,0,0,0,0|1,0,0]=3 3387 B15R2.886 CC=Cc1cc(c2nccnc2c1)C 271570a_100016259895_100010080486 [0,2,0,0,0,0|2,0,0]=4 3388 B15R2.886 CC=Cc1cc(c2nccnc2c1)F 271570a_100016259895_100010079260 [0,2,0,0,0,0|2,0,0]=4 3389 B15R2.886 CCNc1cc(c2ccccc2c1)Br 34a_100010089974_100000210202 [0,2,0,0,0,0|2,0,0]=4 3390 B15R2.886 CCNc1cc(c2ccccc2c1)Br 7a_100010089974_100000210202 [0,2,0,0,0,0|2,0,0]=4 3391 B15R2.886 CCNc1cc(c2ncccc2c1)Cl 34a_200009830422_100000210202 [0,2,0,0,0,0|1,0,0]=3 3392 B15R2.886 CCNc1cc(c2nccnc2c1)C 27a_100015525214_100010080486 [0,2,0,0,0,0|2,0,0]=4 3393 B15R2.886 CCNc1cc(c2nccnc2c1)F 27a_100015525214_100010079260 [0,2,0,0,0,0|2,0,0]=4 3394 B15R2.886 CCOc1cc(c2ccccc2c1)Br 34a_100010001680_100000210202 [0,2,0,0,0,0|1,0,0]=3 3395 B15R2.886 CCOc1cc(c2ccccc2c1)Br 7a_100010001680_100000210202 [0,2,0,0,0,0|1,0,0]=3 3396 B15R2.886 CCOc1cc(c2cnccc2c1)Br 34a_100011009069_100000210202 [0,2,0,0,0,0|2,0,0]=4 3397 B15R2.886 CCOc1cc(c2cnccc2c1)Br 7a_100011009069_100000210202 [0,2,0,0,0,0|2,0,0]=4 3398 B15R2.886 CCOc1cc(c2ncccc2c1)Cl 34a_100000097192_100000210202 [0,2,0,0,0,0|0,0,0]=2 3399 B15R2.886 CCOc1cc(c2ncccc2c1)Cl 7a_100000097192_100000210202 [0,2,0,0,0,0|0,0,0]=2 3400 B15R2.886 CCOc1cc(c2ncccc2c1)F 34a_100009888031_100000210202 [0,2,0,0,0,0|0,0,0]=2 3401 B15R2.886 CCOc1cc(c2ncccc2c1)F 7a_100009888031_100000210202 [0,2,0,0,0,0|0,0,0]=2 3402 B15R2.886 CCOc1cc(c2ncccc2c1)N 34a_100000083691_100000210202 [0,2,0,0,0,0|0,0,0]=2 3403 B15R2.886 CCSc1cc(c2ccccc2c1)N 62a_100000210202_100010171453 [0,2,0,0,0,0|1,1,0]=4 3404 B15R2.886 CCSc1cc(c2ccccc2c1)N 62a_100010171453_100000210202 [0,2,0,0,0,0|1,1,0]=4 3405 B15R2.886 CCSc1cc(c2ccccc2c1)O 62a_100000210202_100010089979 [0,2,0,0,0,0|1,1,0]=4 3406 B15R2.886 CCSc1cc(c2ncccc2c1)C 62a_100000210202_100010130319 [0,2,0,0,0,0|0,1,0]=3 3407 B15R2.886 CCSc1cc(c2ncccc2c1)Cl 62a_100000210202_200010369337 [0,2,0,0,0,0|0,1,0]=3 3408 B15R2.886 CCSc1cc(c2ncccc2c1)F 62a_100000210202_100010234705 [0,2,0,0,0,0|0,1,0]=3 3409 B15R2.886 CCSc1cc(c2ncccc2c1)F 62a_100010234705_100000210202 [0,2,0,0,0,0|0,1,0]=3 3410 B15R2.886 CCSc1cc(c2ncccc2c1)N 62a_100000210202_100009814519 [0,2,0,0,0,0|0,1,0]=3 3411 B15R2.886 CCSc1cc(c2ncccc2c1)O 62a_100000210202_100010248853 [0,2,0,0,0,0|0,1,0]=3 3412 B15R2.886 CCSc1cc(c2nccnc2c1)C 62a_100000210202_100010080486 [0,2,0,0,0,0|1,1,0]=4 3413 B15R2.886 CCSc1cc(c2nccnc2c1)F 62a_100000210202_100010079260 [0,2,0,0,0,0|1,1,0]=4 3414 B15R2.886 CCSc1cc(c2nccnc2c1)F 62a_100010079260_100000210202 [0,2,0,0,0,0|1,1,0]=4 3415 B15R2.886 CNCc1cc(c2ccccc2c1)Br 26a_100102657272_100010001680 [0,2,0,0,0,0|2,0,0]=4 3416 B15R2.886 Cc1cc(cc2c1nccc2)SCF 62a_100015361967_100010130319 [0,2,0,0,0,0|0,1,0]=3 3417 B15R2.886 Cc1cc(cc2c1nccn2)SCF 62a_100015361967_100010080486 [0,2,0,0,0,0|1,1,0]=4 3418 B15R2.886 FCNc1cc(c2ccccc2c1)Br 34a_100010089974_100015361967 [0,2,0,0,0,0|2,0,0]=4 3419 B15R2.886 FCNc1cc(c2ccccc2c1)Br 7a_100010089974_100015361967 [0,2,0,0,0,0|2,0,0]=4 3420 B15R2.886 FCNc1cc(c2ncccc2c1)Cl 34a_200009830422_100015361967 [0,2,0,0,0,0|1,0,0]=3 3421 B15R2.886 FCOc1cc(c2ccccc2c1)Br 34a_100010001680_100015361967 [0,2,0,0,0,0|1,0,0]=3 3422 B15R2.886 FCOc1cc(c2ccccc2c1)Br 7a_100010001680_100015361967 [0,2,0,0,0,0|1,0,0]=3 3423 B15R2.886 FCOc1cc(c2cnccc2c1)Br 34a_100011009069_100015361967 [0,2,0,0,0,0|2,0,0]=4 3424 B15R2.886 FCOc1cc(c2cnccc2c1)Br 7a_100011009069_100015361967 [0,2,0,0,0,0|2,0,0]=4 3425 B15R2.886 FCOc1cc(c2ncccc2c1)Cl 34a_100000097192_100015361967 [0,2,0,0,0,0|0,0,0]=2 3426 B15R2.886 FCOc1cc(c2ncccc2c1)Cl 7a_100000097192_100015361967 [0,2,0,0,0,0|0,0,0]=2 3427 B15R2.886 FCOc1cc(c2ncccc2c1)F 34a_100009888031_100015361967 [0,2,0,0,0,0|0,0,0]=2 3428 B15R2.886 FCOc1cc(c2ncccc2c1)F 7a_100009888031_100015361967 [0,2,0,0,0,0|0,0,0]=2 3429 B15R2.886 FCSc1cc(c2ncccc2c1)Cl 62a_100015361967_200010369337 [0,2,0,0,0,0|0,1,0]=3 3430 B15R2.886 FCSc1cc(c2ncccc2c1)F 62a_100010234705_100015361967 [0,2,0,0,0,0|0,1,0]=3 3431 B15R2.886 FCSc1cc(c2ncccc2c1)F 62a_100015361967_100010234705 [0,2,0,0,0,0|0,1,0]=3 3432 B15R2.886 FCSc1cc(c2nccnc2c1)F 62a_100010079260_100015361967 [0,2,0,0,0,0|1,1,0]=4 3433 B15R2.886 FCSc1cc(c2nccnc2c1)F 62a_100015361967_100010079260 [0,2,0,0,0,0|1,1,0]=4 3434 B15R2.886 Nc1cc(cc2c1cccc2)SCF 62a_100010171453_100015361967 [0,2,0,0,0,0|1,1,0]=4 3435 B15R2.886 Nc1cc(cc2c1cccc2)SCF 62a_100015361967_100010171453 [0,2,0,0,0,0|1,1,0]=4 3436 B15R2.886 Nc1cc(cc2c1nccc2)OCF 34a_100000083691_100015361967 [0,2,0,0,0,0|0,0,0]=2 3437 B15R2.886 Nc1cc(cc2c1nccc2)SCF 62a_100015361967_100009814519 [0,2,0,0,0,0|0,1,0]=3 3438 B15R2.886 Oc1cc(cc2c1cccc2)SCF 62a_100015361967_100010089979 [0,2,0,0,0,0|1,1,0]=4 3439 B15R2.886 Oc1cc(cc2c1nccc2)SCF 62a_100015361967_100010248853 [0,2,0,0,0,0|0,1,0]=3 3440 B15R2.888 C=C=Cc1cc2cccnc2cc1C 271570a_100015277604_100010137429 [0,2,0,0,0,0|1,0,1]=4 3441 B15R2.888 C=C=Cc1cc2cccnc2cc1F 271570a_100015277604_100009854028 [0,2,0,0,0,0|1,0,1]=4 3442 B15R2.888 CC=Cc1cc2ccccc2cc1Br 271570a_100016259895_200010169544 [0,2,0,0,0,0|2,0,0]=4 3443 B15R2.888 CC=Cc1cc2ccccc2cc1Cl 271570a_100016259895_100010152806 [0,2,0,0,0,0|2,0,0]=4 3444 B15R2.888 CC=Cc1cc2ccccc2cc1N 271570a_100016259895_100009991566 [0,2,0,0,0,0|2,0,0]=4 3445 B15R2.888 CC=Cc1cc2ccccc2cc1O 271570a_100016259895_100009817189 [0,2,0,0,0,0|2,0,0]=4 3446 B15R2.888 CC=Cc1cc2cccnc2cc1C 271570a_100016259895_100010137429 [0,2,0,0,0,0|1,0,0]=3 3447 B15R2.888 CC=Cc1cc2cccnc2cc1F 271570a_100016259895_100009854028 [0,2,0,0,0,0|1,0,0]=3 3448 B15R2.888 CC=Cc1cc2nccnc2cc1C 271570a_100016259895_100010080479 [0,2,0,0,0,0|2,0,0]=4 3449 B15R2.888 CC=Cc1cc2nccnc2cc1F 271570a_100016259895_100010080477 [0,2,0,0,0,0|2,0,0]=4 3450 B15R2.888 CCNc1cc2ccccc2cc1Br 34a_100009991566_100000210202 [0,2,0,0,0,0|2,0,0]=4 3451 B15R2.888 CCNc1cc2ccccc2cc1Br 7a_100009991566_100000210202 [0,2,0,0,0,0|2,0,0]=4 3452 B15R2.888 CCNc1cc2nccnc2cc1C 27a_100015525214_100010080479 [0,2,0,0,0,0|2,0,0]=4 3453 B15R2.888 CCNc1cc2nccnc2cc1F 27a_100015525214_100010080477 [0,2,0,0,0,0|2,0,0]=4 3454 B15R2.888 CCOc1cc2ccccc2cc1Br 34a_100009817189_100000210202 [0,2,0,0,0,0|1,0,0]=3 3455 B15R2.888 CCOc1cc2ccccc2cc1Br 7a_100009817189_100000210202 [0,2,0,0,0,0|1,0,0]=3 3456 B15R2.888 CCOc1cc2ccccc2cc1C 34a_100000091601_100000210202 [0,2,0,0,0,0|1,0,0]=3 3457 B15R2.888 CCOc1cc2ccccc2cc1C 7a_100000091601_100000210202 [0,2,0,0,0,0|1,0,0]=3 3458 B15R2.888 CCOc1cc2ccccc2cc1N 34a_106744474703_100000210202 [0,2,0,0,0,0|1,0,0]=3 3459 B15R2.888 CCOc1cc2ccccc2cc1N 7a_106744474703_100000210202 [0,2,0,0,0,0|1,0,0]=3 3460 B15R2.888 CCOc1cc2ccccc2nc1C 34a_200000079175_100000210202 [0,2,0,0,0,0|2,0,0]=4 3461 B15R2.888 CCOc1cc2ccccc2nc1C 7a_200000079175_100000210202 [0,2,0,0,0,0|2,0,0]=4 3462 B15R2.888 CCOc1cc2ccccc2nc1Cl 34a_200000100762_100000210202 [0,2,0,0,0,0|2,0,0]=4 3463 B15R2.888 CCOc1cc2ccccc2nc1Cl 7a_200000100762_100000210202 [0,2,0,0,0,0|2,0,0]=4 3464 B15R2.888 CCOc1cc2ccccc2oc1=O 7a_100000061252_100000210202 [0,2,0,0,0,0|2,0,0]=4 3465 B15R2.888 CCOc1cc2cccnc2cc1Br 34a_200010153759_100000210202 [0,2,0,0,0,0|0,0,0]=2 3466 B15R2.888 CCOc1cc2cccnc2cc1Br 7a_200010153759_100000210202 [0,2,0,0,0,0|0,0,0]=2 3467 B15R2.888 CCSc1cc2ccccc2cc1Br 62a_100000210202_200010169544 [0,2,0,0,0,0|1,1,0]=4 3468 B15R2.888 CCSc1cc2ccccc2cc1Br 62a_200010169544_100000210202 [0,2,0,0,0,0|1,1,0]=4 3469 B15R2.888 CCSc1cc2ccccc2cc1Cl 62a_100000210202_100010152806 [0,2,0,0,0,0|1,1,0]=4 3470 B15R2.888 CCSc1cc2ccccc2cc1Cl 62a_100010152806_100000210202 [0,2,0,0,0,0|1,1,0]=4 3471 B15R2.888 CCSc1cc2ccccc2cc1N 62a_100000210202_100009991566 [0,2,0,0,0,0|1,1,0]=4 3472 B15R2.888 CCSc1cc2ccccc2cc1N 62a_100009991566_100000210202 [0,2,0,0,0,0|1,1,0]=4 3473 B15R2.888 CCSc1cc2ccccc2cc1O 62a_100000210202_100009817189 [0,2,0,0,0,0|1,1,0]=4 3474 B15R2.888 CCSc1cc2cccnc2cc1C 62a_100000210202_100010137429 [0,2,0,0,0,0|0,1,0]=3 3475 B15R2.888 CCSc1cc2cccnc2cc1C 62a_100010137429_100000210202 [0,2,0,0,0,0|0,1,0]=3 3476 B15R2.888 CCSc1cc2cccnc2cc1F 62a_100000210202_100009854028 [0,2,0,0,0,0|0,1,0]=3 3477 B15R2.888 CCSc1cc2cccnc2cc1F 62a_100009854028_100000210202 [0,2,0,0,0,0|0,1,0]=3 3478 B15R2.888 CCSc1cc2nccnc2cc1C 62a_100000210202_100010080479 [0,2,0,0,0,0|1,1,0]=4 3479 B15R2.888 CCSc1cc2nccnc2cc1C 62a_100010080479_100000210202 [0,2,0,0,0,0|1,1,0]=4 3480 B15R2.888 CCSc1cc2nccnc2cc1F 62a_100000210202_100010080477 [0,2,0,0,0,0|1,1,0]=4 3481 B15R2.888 CCSc1cc2nccnc2cc1F 62a_100010080477_100000210202 [0,2,0,0,0,0|1,1,0]=4 3482 B15R2.888 CNCc1cc2ccccc2cc1Br 26a_100102657272_100009817189 [0,2,0,0,0,0|2,0,0]=4 3483 B15R2.888 CNCc1cc2cccnc2cc1Br 26a_100102657272_200010153759 [0,2,0,0,0,0|1,0,0]=3 3484 B15R2.888 COCc1cc2ccccc2nc1Cl 34a_100000754719_200000210301 [0,2,0,0,0,0|2,0,0]=4 3485 B15R2.888 COCc1cc2ccccc2nc1Cl 34a_100138415774_100000189640 [0,2,0,0,0,0|2,0,0]=4 3486 B15R2.888 COCc1cc2ccccc2nc1Cl 7a_100000754719_200000210301 [0,2,0,0,0,0|2,0,0]=4 3487 B15R2.888 Cc1cc2ccccc2cc1OCF 34a_100000091601_100015361967 [0,2,0,0,0,0|1,0,0]=3 3488 B15R2.888 Cc1cc2ccccc2cc1OCF 7a_100000091601_100015361967 [0,2,0,0,0,0|1,0,0]=3 3489 B15R2.888 Cc1cc2ncccc2cc1SCF 62a_100010137429_100015361967 [0,2,0,0,0,0|0,1,0]=3 3490 B15R2.888 Cc1cc2ncccc2cc1SCF 62a_100015361967_100010137429 [0,2,0,0,0,0|0,1,0]=3 3491 B15R2.888 Cc1cc2nccnc2cc1SCF 62a_100010080479_100015361967 [0,2,0,0,0,0|1,1,0]=4 3492 B15R2.888 Cc1cc2nccnc2cc1SCF 62a_100015361967_100010080479 [0,2,0,0,0,0|1,1,0]=4 3493 B15R2.888 Cc1nc2ccccc2cc1OCF 34a_200000079175_100015361967 [0,2,0,0,0,0|2,0,0]=4 3494 B15R2.888 Cc1nc2ccccc2cc1OCF 7a_200000079175_100015361967 [0,2,0,0,0,0|2,0,0]=4 3495 B15R2.888 FCNc1cc2ccccc2cc1Br 34a_100009991566_100015361967 [0,2,0,0,0,0|2,0,0]=4 3496 B15R2.888 FCNc1cc2ccccc2cc1Br 7a_100009991566_100015361967 [0,2,0,0,0,0|2,0,0]=4 3497 B15R2.888 FCOc1cc2ccccc2cc1Br 34a_100009817189_100015361967 [0,2,0,0,0,0|1,0,0]=3 3498 B15R2.888 FCOc1cc2ccccc2cc1Br 7a_100009817189_100015361967 [0,2,0,0,0,0|1,0,0]=3 3499 B15R2.888 FCOc1cc2ccccc2nc1Cl 34a_200000100762_100015361967 [0,2,0,0,0,0|2,0,0]=4 3500 B15R2.888 FCOc1cc2ccccc2nc1Cl 7a_200000100762_100015361967 [0,2,0,0,0,0|2,0,0]=4 3501 B15R2.888 FCOc1cc2cccnc2cc1Br 34a_200010153759_100015361967 [0,2,0,0,0,0|0,0,0]=2 3502 B15R2.888 FCOc1cc2cccnc2cc1Br 7a_200010153759_100015361967 [0,2,0,0,0,0|0,0,0]=2 3503 B15R2.888 FCSc1cc2ccccc2cc1Br 62a_100015361967_200010169544 [0,2,0,0,0,0|1,1,0]=4 3504 B15R2.888 FCSc1cc2ccccc2cc1Br 62a_200010169544_100015361967 [0,2,0,0,0,0|1,1,0]=4 3505 B15R2.888 FCSc1cc2ccccc2cc1Cl 62a_100010152806_100015361967 [0,2,0,0,0,0|1,1,0]=4 3506 B15R2.888 FCSc1cc2ccccc2cc1Cl 62a_100015361967_100010152806 [0,2,0,0,0,0|1,1,0]=4 3507 B15R2.888 FCSc1cc2cccnc2cc1F 62a_100009854028_100015361967 [0,2,0,0,0,0|0,1,0]=3 3508 B15R2.888 FCSc1cc2cccnc2cc1F 62a_100015361967_100009854028 [0,2,0,0,0,0|0,1,0]=3 3509 B15R2.888 FCSc1cc2nccnc2cc1F 62a_100010080477_100015361967 [0,2,0,0,0,0|1,1,0]=4 3510 B15R2.888 FCSc1cc2nccnc2cc1F 62a_100015361967_100010080477 [0,2,0,0,0,0|1,1,0]=4 3511 B15R2.888 Nc1cc2ccccc2cc1OCF 34a_106744474703_100015361967 [0,2,0,0,0,0|1,0,0]=3 3512 B15R2.888 Nc1cc2ccccc2cc1OCF 7a_106744474703_100015361967 [0,2,0,0,0,0|1,0,0]=3 3513 B15R2.888 Nc1cc2ccccc2cc1SCF 62a_100009991566_100015361967 [0,2,0,0,0,0|1,1,0]=4 3514 B15R2.888 Nc1cc2ccccc2cc1SCF 62a_100015361967_100009991566 [0,2,0,0,0,0|1,1,0]=4 3515 B15R2.888 O=c1oc2ccccc2cc1OCF 7a_100000061252_100015361967 [0,2,0,0,0,0|2,0,0]=4 3516 B15R2.888 Oc1cc2ccccc2cc1SCF 62a_100015361967_100009817189 [0,2,0,0,0,0|1,1,0]=4 3517 B15R2.888 [13CH3]OCc1cc2ccccc2nc1Cl 34a_100000754719_200025704644 [0,2,0,0,0,0|2,0,0]=4 3518 B15R2.888 [13CH3]OCc1cc2ccccc2nc1Cl 7a_100000754719_200025704644 [0,2,0,0,0,0|2,0,0]=4 3519 B15R2.1282 C=C=Cc1ccc2ncc(cc2c1)Br 271570a_100015277604_200010254249 [0,2,0,0,0,0|1,0,1]=4 3520 B15R2.1282 C=C=Cc1ccc2ncc(cc2c1)C 271570a_100015277604_100009817055 [0,2,0,0,0,0|1,0,1]=4 3521 B15R2.1282 C=C=Cc1ccc2ncc(cc2c1)O 271570a_100015277604_100000703654 [0,2,0,0,0,0|1,0,1]=4 3522 B15R2.1282 CC=Cc1ccc2ccc(cc2c1)N 271570a_100016259895_100010090036 [0,2,0,0,0,0|2,0,0]=4 3523 B15R2.1282 CC=Cc1ccc2ccc(cc2c1)O 271570a_100016259895_100009816537 [0,2,0,0,0,0|2,0,0]=4 3524 B15R2.1282 CC=Cc1ccc2ncc(cc2c1)Br 271570a_100016259895_200010254249 [0,2,0,0,0,0|1,0,0]=3 3525 B15R2.1282 CC=Cc1ccc2ncc(cc2c1)C 271570a_100016259895_100009817055 [0,2,0,0,0,0|1,0,0]=3 3526 B15R2.1282 CC=Cc1ccc2ncc(cc2c1)O 271570a_100016259895_100000703654 [0,2,0,0,0,0|1,0,0]=3 3527 B15R2.1282 CC=Cc1ccc2ncc(cc2n1)F 271570a_100016259895_100009889179 [0,2,0,0,0,0|2,0,0]=4 3528 B15R2.1282 CC=Cc1ccc2ncc(nc2c1)N 271570a_100016259895_100010090528 [0,2,0,0,0,0|2,0,0]=4 3529 B15R2.1282 CC=Cc1ccc2ncc(nc2c1)O 271570a_100016259895_100010000190 [0,2,0,0,0,0|2,0,0]=4 3530 B15R2.1282 CCNc1ccc2ccc(cc2c1)Br 34a_100010090036_100000210202 [0,2,0,0,0,0|2,0,0]=4 3531 B15R2.1282 CCNc1ccc2ccc(cc2c1)Br 7a_100010090036_100000210202 [0,2,0,0,0,0|2,0,0]=4 3532 B15R2.1282 CCNc1ccc2ccc(cc2c1)O 34a_100015378740_100000210202 [0,2,0,0,0,0|2,0,0]=4 3533 B15R2.1282 CCNc1ccc2ccc(cc2c1)O 7a_100015378740_100000210202 [0,2,0,0,0,0|2,0,0]=4 3534 B15R2.1282 CCNc1ccc2ncc(cc2c1)Br 34a_100009888932_100000210202 [0,2,0,0,0,0|1,0,0]=3 3535 B15R2.1282 CCNc1ccc2ncc(cc2n1)F 27a_100015525214_100009889179 [0,2,0,0,0,0|2,0,0]=4 3536 B15R2.1282 CCOc1cc2cc(ccc2cn1)F 34a_200000101709_100000210202 [0,2,0,0,0,0|2,0,0]=4 3537 B15R2.1282 CCOc1ccc2ccc(=O)oc2c1 34a_100000185914_100000210202 [0,2,0,0,0,0|2,0,0]=4 3538 B15R2.1282 CCOc1ccc2ccc(=O)oc2c1 7a_100000185914_100000210202 [0,2,0,0,0,0|2,0,0]=4 3539 B15R2.1282 CCOc1ccc2ccc(cc2c1)Br 34a_100009816537_100000210202 [0,2,0,0,0,0|1,0,0]=3 3540 B15R2.1282 CCOc1ccc2ccc(cc2c1)Br 7a_100009816537_100000210202 [0,2,0,0,0,0|1,0,0]=3 3541 B15R2.1282 CCOc1ccc2ccc(cc2c1)C 34a_100000091598_100000210202 [0,2,0,0,0,0|1,0,0]=3 3542 B15R2.1282 CCOc1ccc2ccc(cc2c1)C 7a_100000091598_100000210202 [0,2,0,0,0,0|1,0,0]=3 3543 B15R2.1282 CCOc1ccc2ccc(cc2c1)N 34a_100015378740_100000210202 [0,2,0,0,0,0|1,0,0]=3 3544 B15R2.1282 CCOc1ccc2ccc(cc2c1)N 7a_100015378740_100000210202 [0,2,0,0,0,0|1,0,0]=3 3545 B15R2.1282 CCOc1ccc2ccc(cc2n1)O 271570a_203496583355_200010874322 [0,2,0,0,0,0|2,0,0]=4 3546 B15R2.1282 CCOc1ccc2ccc(nc2c1)C 34a_100009867695_100000210202 [0,2,0,0,0,0|2,0,0]=4 3547 B15R2.1282 CCOc1ccc2ccc(nc2c1)C 7a_100009867695_100000210202 [0,2,0,0,0,0|2,0,0]=4 3548 B15R2.1282 CCOc1ccc2ccc(nc2c1)Cl 34a_100000079174_100000210202 [0,2,0,0,0,0|2,0,0]=4 3549 B15R2.1282 CCOc1ccc2ccc(nc2c1)Cl 7a_100000079174_100000210202 [0,2,0,0,0,0|2,0,0]=4 3550 B15R2.1282 CCOc1ccc2ncc(cc2c1)Br 34a_100010137430_100000210202 [0,2,0,0,0,0|0,0,0]=2 3551 B15R2.1282 CCOc1ccc2ncc(cc2c1)Br 7a_100010137430_100000210202 [0,2,0,0,0,0|0,0,0]=2 3552 B15R2.1282 CCOc1ccc2ncc(cc2c1)Cl 34a_100009869629_100000210202 [0,2,0,0,0,0|0,0,0]=2 3553 B15R2.1282 CCOc1ccc2ncc(cc2c1)Cl 7a_100009869629_100000210202 [0,2,0,0,0,0|0,0,0]=2 3554 B15R2.1282 CCOc1ccc2ncc(cc2c1)F 34a_100009845357_100000210202 [0,2,0,0,0,0|0,0,0]=2 3555 B15R2.1282 CCOc1ccc2ncc(cc2c1)F 7a_100009845357_100000210202 [0,2,0,0,0,0|0,0,0]=2 3556 B15R2.1282 CCOc1ccc2ncc(nc2c1)Cl 34a_200020640061_100000210202 [0,2,0,0,0,0|1,0,0]=3 3557 B15R2.1282 CCOc1cnc2ccc(cc2c1)Br 34a_100000703654_100000210202 [0,2,0,0,0,0|2,0,0]=4 3558 B15R2.1282 CCOc1cnc2ccc(cc2c1)Br 7a_100000703654_100000210202 [0,2,0,0,0,0|2,0,0]=4 3559 B15R2.1282 CCSc1ccc2ccc(cc2c1)N 62a_100000210202_100010090036 [0,2,0,0,0,0|1,1,0]=4 3560 B15R2.1282 CCSc1ccc2ccc(cc2c1)N 62a_100010090036_100000210202 [0,2,0,0,0,0|1,1,0]=4 3561 B15R2.1282 CCSc1ccc2ccc(cc2c1)O 62a_100000210202_100009816537 [0,2,0,0,0,0|1,1,0]=4 3562 B15R2.1282 CCSc1ccc2ncc(cc2c1)Br 62a_100000210202_200010254249 [0,2,0,0,0,0|0,1,0]=3 3563 B15R2.1282 CCSc1ccc2ncc(cc2c1)Br 62a_200010254249_100000210202 [0,2,0,0,0,0|0,1,0]=3 3564 B15R2.1282 CCSc1ccc2ncc(cc2c1)C 62a_100000210202_100009817055 [0,2,0,0,0,0|0,1,0]=3 3565 B15R2.1282 CCSc1ccc2ncc(cc2c1)O 62a_100000210202_100000703654 [0,2,0,0,0,0|0,1,0]=3 3566 B15R2.1282 CCSc1ccc2ncc(cc2n1)F 62a_100000210202_100009889179 [0,2,0,0,0,0|1,1,0]=4 3567 B15R2.1282 CCSc1ccc2ncc(cc2n1)F 62a_100009889179_100000210202 [0,2,0,0,0,0|1,1,0]=4 3568 B15R2.1282 CCSc1ccc2ncc(nc2c1)N 62a_100000210202_100010090528 [0,2,0,0,0,0|1,1,0]=4 3569 B15R2.1282 CCSc1ccc2ncc(nc2c1)N 62a_100010090528_100000210202 [0,2,0,0,0,0|1,1,0]=4 3570 B15R2.1282 CCSc1ccc2ncc(nc2c1)O 62a_100000210202_100010000190 [0,2,0,0,0,0|1,1,0]=4 3571 B15R2.1282 CNCc1ccc2ccc(cc2c1)Br 207a_100102657272_100010200085 [0,2,0,0,0,0|2,0,0]=4 3572 B15R2.1282 CNCc1ccc2ccc(cc2c1)Br 26a_100102657272_100009816537 [0,2,0,0,0,0|2,0,0]=4 3573 B15R2.1282 CNCc1ccc2ccc(cc2c1)Br 270004a_106832991635_100010200085 [0,2,0,0,0,0|2,0,0]=4 3574 B15R2.1282 CNCc1ccc2ncc(cc2c1)Br 26a_100102657272_100010137430 [0,2,0,0,0,0|1,0,0]=3 3575 B15R2.1282 COCc1ccc2ccc(cc2n1)Cl 34a_100138415774_100010196396 [0,2,0,0,0,0|2,0,0]=4 3576 B15R2.1282 Cc1ccc2ccc(cc2c1)OCF 34a_100000091598_100015361967 [0,2,0,0,0,0|1,0,0]=3 3577 B15R2.1282 Cc1ccc2ccc(cc2c1)OCF 7a_100000091598_100015361967 [0,2,0,0,0,0|1,0,0]=3 3578 B15R2.1282 Cc1ccc2ccc(cc2n1)OCF 34a_100009867695_100015361967 [0,2,0,0,0,0|2,0,0]=4 3579 B15R2.1282 Cc1ccc2ccc(cc2n1)OCF 7a_100009867695_100015361967 [0,2,0,0,0,0|2,0,0]=4 3580 B15R2.1282 Cc1cnc2ccc(cc2c1)SCF 62a_100015361967_100009817055 [0,2,0,0,0,0|0,1,0]=3 3581 B15R2.1282 FCNc1ccc2ccc(cc2c1)Br 34a_100010090036_100015361967 [0,2,0,0,0,0|2,0,0]=4 3582 B15R2.1282 FCNc1ccc2ccc(cc2c1)Br 7a_100010090036_100015361967 [0,2,0,0,0,0|2,0,0]=4 3583 B15R2.1282 FCNc1ccc2ncc(cc2c1)Br 34a_100009888932_100015361967 [0,2,0,0,0,0|1,0,0]=3 3584 B15R2.1282 FCOc1cc2cc(ccc2cn1)F 34a_200000101709_100015361967 [0,2,0,0,0,0|2,0,0]=4 3585 B15R2.1282 FCOc1ccc2ccc(cc2c1)Br 34a_100009816537_100015361967 [0,2,0,0,0,0|1,0,0]=3 3586 B15R2.1282 FCOc1ccc2ccc(cc2c1)Br 7a_100009816537_100015361967 [0,2,0,0,0,0|1,0,0]=3 3587 B15R2.1282 FCOc1ccc2ccc(nc2c1)Cl 34a_100000079174_100015361967 [0,2,0,0,0,0|2,0,0]=4 3588 B15R2.1282 FCOc1ccc2ccc(nc2c1)Cl 7a_100000079174_100015361967 [0,2,0,0,0,0|2,0,0]=4 3589 B15R2.1282 FCOc1ccc2ncc(cc2c1)Br 34a_100010137430_100015361967 [0,2,0,0,0,0|0,0,0]=2 3590 B15R2.1282 FCOc1ccc2ncc(cc2c1)Br 7a_100010137430_100015361967 [0,2,0,0,0,0|0,0,0]=2 3591 B15R2.1282 FCOc1ccc2ncc(cc2c1)Cl 34a_100009869629_100015361967 [0,2,0,0,0,0|0,0,0]=2 3592 B15R2.1282 FCOc1ccc2ncc(cc2c1)Cl 7a_100009869629_100015361967 [0,2,0,0,0,0|0,0,0]=2 3593 B15R2.1282 FCOc1ccc2ncc(cc2c1)F 34a_100009845357_100015361967 [0,2,0,0,0,0|0,0,0]=2 3594 B15R2.1282 FCOc1ccc2ncc(cc2c1)F 7a_100009845357_100015361967 [0,2,0,0,0,0|0,0,0]=2 3595 B15R2.1282 FCOc1ccc2ncc(nc2c1)Cl 34a_200020640061_100015361967 [0,2,0,0,0,0|1,0,0]=3 3596 B15R2.1282 FCOc1cnc2ccc(cc2c1)Br 34a_100000703654_100015361967 [0,2,0,0,0,0|2,0,0]=4 3597 B15R2.1282 FCOc1cnc2ccc(cc2c1)Br 7a_100000703654_100015361967 [0,2,0,0,0,0|2,0,0]=4 3598 B15R2.1282 FCSc1ccc2ncc(cc2c1)Br 62a_100015361967_200010254249 [0,2,0,0,0,0|0,1,0]=3 3599 B15R2.1282 FCSc1ccc2ncc(cc2c1)Br 62a_200010254249_100015361967 [0,2,0,0,0,0|0,1,0]=3 3600 B15R2.1282 FCSc1ccc2ncc(cc2n1)F 62a_100009889179_100015361967 [0,2,0,0,0,0|1,1,0]=4 3601 B15R2.1282 FCSc1ccc2ncc(cc2n1)F 62a_100015361967_100009889179 [0,2,0,0,0,0|1,1,0]=4 3602 B15R2.1282 Nc1ccc2ccc(cc2c1)OCF 34a_100015378740_100015361967 [0,2,0,0,0,0|1,0,0]=3 3603 B15R2.1282 Nc1ccc2ccc(cc2c1)OCF 7a_100015378740_100015361967 [0,2,0,0,0,0|1,0,0]=3 3604 B15R2.1282 Nc1ccc2ccc(cc2c1)SCF 62a_100010090036_100015361967 [0,2,0,0,0,0|1,1,0]=4 3605 B15R2.1282 Nc1ccc2ccc(cc2c1)SCF 62a_100015361967_100010090036 [0,2,0,0,0,0|1,1,0]=4 3606 B15R2.1282 Nc1cnc2ccc(cc2n1)SCF 62a_100010090528_100015361967 [0,2,0,0,0,0|1,1,0]=4 3607 B15R2.1282 Nc1cnc2ccc(cc2n1)SCF 62a_100015361967_100010090528 [0,2,0,0,0,0|1,1,0]=4 3608 B15R2.1282 O=c1ccc2ccc(cc2o1)OCF 34a_100000185914_100015361967 [0,2,0,0,0,0|2,0,0]=4 3609 B15R2.1282 O=c1ccc2ccc(cc2o1)OCF 7a_100000185914_100015361967 [0,2,0,0,0,0|2,0,0]=4 3610 B15R2.1282 Oc1ccc2ccc(cc2c1)NCF 34a_100015378740_100015361967 [0,2,0,0,0,0|2,0,0]=4 3611 B15R2.1282 Oc1ccc2ccc(cc2c1)NCF 7a_100015378740_100015361967 [0,2,0,0,0,0|2,0,0]=4 3612 B15R2.1282 Oc1ccc2ccc(cc2c1)SCF 62a_100015361967_100009816537 [0,2,0,0,0,0|1,1,0]=4 3613 B15R2.1282 Oc1cnc2ccc(cc2c1)SCF 62a_100015361967_100000703654 [0,2,0,0,0,0|0,1,0]=3 3614 B15R2.1282 Oc1cnc2ccc(cc2n1)SCF 62a_100015361967_100010000190 [0,2,0,0,0,0|1,1,0]=4 3615 B15R2.1290 C=C=Cc1ccc2nccc(c2c1)C 271570a_100015277604_100009817033 [0,2,0,0,0,0|1,0,1]=4 3616 B15R2.1290 C=C=Cc1ccc2nccc(c2c1)Cl 271570a_100015277604_100011310491 [0,2,0,0,0,0|1,0,1]=4 3617 B15R2.1290 C=C=Cc1ccc2nccc(c2c1)N 271570a_100015277604_100011620571 [0,2,0,0,0,0|1,0,1]=4 3618 B15R2.1290 CC=Cc1ccc2[nH]ccc(=O)c2c1 271570a_100016259895_100000746092 [0,2,0,0,0,0|1,0,1]=4 3619 B15R2.1290 CC=Cc1ccc2cccc(c2c1)C 271570a_100016259895_100010089936 [0,2,0,0,0,0|2,0,0]=4 3620 B15R2.1290 CC=Cc1ccc2cccc(c2c1)N 271570a_100016259895_100010090012 [0,2,0,0,0,0|2,0,0]=4 3621 B15R2.1290 CC=Cc1ccc2cccc(c2c1)O 271570a_100016259895_100010089991 [0,2,0,0,0,0|2,0,0]=4 3622 B15R2.1290 CC=Cc1ccc2nc[nH]c(=O)c2c1 271570a_100016259895_100000755678 [0,2,0,0,0,0|2,0,0]=4 3623 B15R2.1290 CC=Cc1ccc2nccc(=O)n2c1 271570a_100016259895_100010178973 [0,2,0,0,0,0|2,0,0]=4 3624 B15R2.1290 CC=Cc1ccc2nccc(c2c1)C 271570a_100016259895_100009817033 [0,2,0,0,0,0|1,0,0]=3 3625 B15R2.1290 CC=Cc1ccc2nccc(c2c1)Cl 271570a_100016259895_100011310491 [0,2,0,0,0,0|1,0,0]=3 3626 B15R2.1290 CC=Cc1ccc2nccc(c2c1)N 271570a_100016259895_100011620571 [0,2,0,0,0,0|1,0,0]=3 3627 B15R2.1290 CC=Cc1ccc2ncnc(c2c1)C 271570a_100016259895_100000700471 [0,2,0,0,0,0|2,0,0]=4 3628 B15R2.1290 CC=Cc1ccc2ncnc(c2c1)Cl 271570a_100016259895_100000757566 [0,2,0,0,0,0|2,0,0]=4 3629 B15R2.1290 CC=Cc1ccc2ncnc(c2c1)N 271570a_100016259895_100011390335 [0,2,0,0,0,0|2,0,0]=4 3630 B15R2.1290 CC=Cc1ccc2nncc(c2c1)O 271570a_100016259895_100010074700 [0,2,0,0,0,0|2,0,0]=4 3631 B15R2.1290 CC=Cc1ccc2occc(=O)c2c1 271570a_100016259895_100009813387 [0,2,0,0,0,0|2,0,0]=4 3632 B15R2.1290 CCNc1ccc2cccc(c2c1)O 34a_100132313934_100000210202 [0,2,0,0,0,0|2,0,0]=4 3633 B15R2.1290 CCNc1ccc2nccc(c2c1)Br 34a_100010074812_100000210202 [0,2,0,0,0,0|1,0,0]=3 3634 B15R2.1290 CCNc1ccc2nccc(c2c1)Cl 34a_100009879071_100000210202 [0,2,0,0,0,0|1,0,0]=3 3635 B15R2.1290 CCNc1ccc2ncnc(c2c1)C 27a_100015525214_100000700471 [0,2,0,0,0,0|2,0,0]=4 3636 B15R2.1290 CCNc1ccc2occc(=O)c2c1 34a_100000088200_100000210202 [0,2,0,0,0,0|2,0,0]=4 3637 B15R2.1290 CCOc1ccc2cccc(c2c1)Br 34a_100010169565_100000210202 [0,2,0,0,0,0|1,0,0]=3 3638 B15R2.1290 CCOc1ccc2cccc(c2c1)Br 7a_100010169565_100000210202 [0,2,0,0,0,0|1,0,0]=3 3639 B15R2.1290 CCOc1ccc2cccc(c2c1)C 34a_200000091600_100000210202 [0,2,0,0,0,0|1,0,0]=3 3640 B15R2.1290 CCOc1ccc2cccc(c2c1)C 7a_200000091600_100000210202 [0,2,0,0,0,0|1,0,0]=3 3641 B15R2.1290 CCOc1ccc2cccc(c2c1)F 34a_100000091619_100000210202 [0,2,0,0,0,0|1,0,0]=3 3642 B15R2.1290 CCOc1ccc2cccc(c2c1)F 7a_100000091619_100000210202 [0,2,0,0,0,0|1,0,0]=3 3643 B15R2.1290 CCOc1ccc2cccc(c2c1)N 34a_100000034012_100000210202 [0,2,0,0,0,0|1,0,0]=3 3644 B15R2.1290 CCOc1ccc2cccc(c2c1)N 7a_100000034012_100000210202 [0,2,0,0,0,0|1,0,0]=3 3645 B15R2.1290 CCOc1ccc2ccnc(c2c1)Cl 34a_200009844553_100000210202 [0,2,0,0,0,0|2,0,0]=4 3646 B15R2.1290 CCOc1ccc2ccnc(c2c1)Cl 7a_200009844553_100000210202 [0,2,0,0,0,0|2,0,0]=4 3647 B15R2.1290 CCOc1ccc2nc[nH]c(=O)c2c1 7a_100011934087_100000210202 [0,2,0,0,0,0|1,0,0]=3 3648 B15R2.1290 CCOc1ccc2nccc(c2c1)Br 34a_100010204251_100000210202 [0,2,0,0,0,0|0,0,0]=2 3649 B15R2.1290 CCOc1ccc2nccc(c2c1)Br 7a_100010204251_100000210202 [0,2,0,0,0,0|0,0,0]=2 3650 B15R2.1290 CCOc1ccc2nccc(c2c1)Cl 34a_100000075933_100000210202 [0,2,0,0,0,0|0,0,0]=2 3651 B15R2.1290 CCOc1ccc2nccc(c2c1)Cl 7a_100000075933_100000210202 [0,2,0,0,0,0|0,0,0]=2 3652 B15R2.1290 CCOc1ccc2nccc(c2c1)O 271570a_203496583355_100012360437 [0,2,0,0,0,0|0,0,0]=2 3653 B15R2.1290 CCSc1ccc2[nH]ccc(=O)c2c1 62a_100000210202_100000746092 [0,2,0,0,0,0|0,1,1]=4 3654 B15R2.1290 CCSc1ccc2cccc(c2c1)C 62a_100000210202_100010089936 [0,2,0,0,0,0|1,1,0]=4 3655 B15R2.1290 CCSc1ccc2cccc(c2c1)N 62a_100000210202_100010090012 [0,2,0,0,0,0|1,1,0]=4 3656 B15R2.1290 CCSc1ccc2cccc(c2c1)N 62a_100010090012_100000210202 [0,2,0,0,0,0|1,1,0]=4 3657 B15R2.1290 CCSc1ccc2cccc(c2c1)O 62a_100000210202_100010089991 [0,2,0,0,0,0|1,1,0]=4 3658 B15R2.1290 CCSc1ccc2nc[nH]c(=O)c2c1 62a_100000210202_100000755678 [0,2,0,0,0,0|1,1,0]=4 3659 B15R2.1290 CCSc1ccc2nccc(=O)n2c1 62a_100000210202_100010178973 [0,2,0,0,0,0|1,1,0]=4 3660 B15R2.1290 CCSc1ccc2nccc(=O)n2c1 62a_100010178973_100000210202 [0,2,0,0,0,0|1,1,0]=4 3661 B15R2.1290 CCSc1ccc2nccc(c2c1)C 62a_100000210202_100009817033 [0,2,0,0,0,0|0,1,0]=3 3662 B15R2.1290 CCSc1ccc2nccc(c2c1)C 62a_100009817033_100000210202 [0,2,0,0,0,0|0,1,0]=3 3663 B15R2.1290 CCSc1ccc2nccc(c2c1)Cl 62a_100000210202_100011310491 [0,2,0,0,0,0|0,1,0]=3 3664 B15R2.1290 CCSc1ccc2nccc(c2c1)Cl 62a_100011310491_100000210202 [0,2,0,0,0,0|0,1,0]=3 3665 B15R2.1290 CCSc1ccc2nccc(c2c1)N 62a_100000210202_100011620571 [0,2,0,0,0,0|0,1,0]=3 3666 B15R2.1290 CCSc1ccc2nccc(c2c1)N 62a_100011620571_100000210202 [0,2,0,0,0,0|0,1,0]=3 3667 B15R2.1290 CCSc1ccc2ncnc(c2c1)C 62a_100000210202_100000700471 [0,2,0,0,0,0|1,1,0]=4 3668 B15R2.1290 CCSc1ccc2ncnc(c2c1)C 62a_100000700471_100000210202 [0,2,0,0,0,0|1,1,0]=4 3669 B15R2.1290 CCSc1ccc2ncnc(c2c1)Cl 62a_100000210202_100000757566 [0,2,0,0,0,0|1,1,0]=4 3670 B15R2.1290 CCSc1ccc2ncnc(c2c1)N 62a_100000210202_100011390335 [0,2,0,0,0,0|1,1,0]=4 3671 B15R2.1290 CCSc1ccc2ncnc(c2c1)N 62a_100011390335_100000210202 [0,2,0,0,0,0|1,1,0]=4 3672 B15R2.1290 CCSc1ccc2nncc(c2c1)O 62a_100000210202_100010074700 [0,2,0,0,0,0|1,1,0]=4 3673 B15R2.1290 CCSc1ccc2occc(=O)c2c1 62a_100000210202_100009813387 [0,2,0,0,0,0|1,1,0]=4 3674 B15R2.1290 CNCc1ccc2cccc(c2c1)Br 26a_100102657272_100010169565 [0,2,0,0,0,0|2,0,0]=4 3675 B15R2.1290 CNCc1ccc2nccc(c2c1)Br 26a_100102657272_100010204251 [0,2,0,0,0,0|1,0,0]=3 3676 B15R2.1290 CNCc1ccc2ncnc(c2c1)Cl 34a_100102657272_200010205392 [0,2,0,0,0,0|2,0,0]=4 3677 B15R2.1290 CNCc1ccc2ncnc(c2c1)Cl 7a_106832991635_200010205392 [0,2,0,0,0,0|2,0,0]=4 3678 B15R2.1290 COCc1ccc2ncnc(c2c1)Cl 34a_100138415774_200010205392 [0,2,0,0,0,0|1,0,0]=3 3679 B15R2.1290 CSCc1ccc2ncnc(c2c1)Cl 62a_200000210301_200010205392 [0,2,0,0,0,0|1,1,0]=4 3680 B15R2.1290 CSCc1ccc2ncnc(c2c1)Cl 62a_200010205392_200000210301 [0,2,0,0,0,0|1,1,0]=4 3681 B15R2.1290 Cc1cccc2c1cc(cc2)OCF 34a_200000091600_100015361967 [0,2,0,0,0,0|1,0,0]=3 3682 B15R2.1290 Cc1cccc2c1cc(cc2)OCF 7a_200000091600_100015361967 [0,2,0,0,0,0|1,0,0]=3 3683 B15R2.1290 Cc1cccc2c1cc(cc2)SCF 62a_100015361967_100010089936 [0,2,0,0,0,0|1,1,0]=4 3684 B15R2.1290 Cc1ccnc2c1cc(cc2)SCF 62a_100009817033_100015361967 [0,2,0,0,0,0|0,1,0]=3 3685 B15R2.1290 Cc1ccnc2c1cc(cc2)SCF 62a_100015361967_100009817033 [0,2,0,0,0,0|0,1,0]=3 3686 B15R2.1290 Cc1ncnc2c1cc(cc2)SCF 62a_100000700471_100015361967 [0,2,0,0,0,0|1,1,0]=4 3687 B15R2.1290 Cc1ncnc2c1cc(cc2)SCF 62a_100015361967_100000700471 [0,2,0,0,0,0|1,1,0]=4 3688 B15R2.1290 FCNc1ccc2nccc(c2c1)Br 34a_100010074812_100015361967 [0,2,0,0,0,0|1,0,0]=3 3689 B15R2.1290 FCNc1ccc2nccc(c2c1)Cl 34a_100009879071_100015361967 [0,2,0,0,0,0|1,0,0]=3 3690 B15R2.1290 FCOc1ccc2cccc(c2c1)Br 34a_100010169565_100015361967 [0,2,0,0,0,0|1,0,0]=3 3691 B15R2.1290 FCOc1ccc2cccc(c2c1)Br 7a_100010169565_100015361967 [0,2,0,0,0,0|1,0,0]=3 3692 B15R2.1290 FCOc1ccc2cccc(c2c1)F 34a_100000091619_100015361967 [0,2,0,0,0,0|1,0,0]=3 3693 B15R2.1290 FCOc1ccc2cccc(c2c1)F 7a_100000091619_100015361967 [0,2,0,0,0,0|1,0,0]=3 3694 B15R2.1290 FCOc1ccc2ccnc(c2c1)Cl 34a_200009844553_100015361967 [0,2,0,0,0,0|2,0,0]=4 3695 B15R2.1290 FCOc1ccc2ccnc(c2c1)Cl 7a_200009844553_100015361967 [0,2,0,0,0,0|2,0,0]=4 3696 B15R2.1290 FCOc1ccc2nccc(c2c1)Br 34a_100010204251_100015361967 [0,2,0,0,0,0|0,0,0]=2 3697 B15R2.1290 FCOc1ccc2nccc(c2c1)Br 7a_100010204251_100015361967 [0,2,0,0,0,0|0,0,0]=2 3698 B15R2.1290 FCOc1ccc2nccc(c2c1)Cl 34a_100000075933_100015361967 [0,2,0,0,0,0|0,0,0]=2 3699 B15R2.1290 FCOc1ccc2nccc(c2c1)Cl 7a_100000075933_100015361967 [0,2,0,0,0,0|0,0,0]=2 3700 B15R2.1290 FCSc1ccc2nccc(c2c1)Cl 62a_100011310491_100015361967 [0,2,0,0,0,0|0,1,0]=3 3701 B15R2.1290 FCSc1ccc2nccc(c2c1)Cl 62a_100015361967_100011310491 [0,2,0,0,0,0|0,1,0]=3 3702 B15R2.1290 FCSc1ccc2ncnc(c2c1)Cl 62a_100015361967_100000757566 [0,2,0,0,0,0|1,1,0]=4 3703 B15R2.1290 Nc1cccc2c1cc(cc2)OCF 34a_100000034012_100015361967 [0,2,0,0,0,0|1,0,0]=3 3704 B15R2.1290 Nc1cccc2c1cc(cc2)OCF 7a_100000034012_100015361967 [0,2,0,0,0,0|1,0,0]=3 3705 B15R2.1290 Nc1cccc2c1cc(cc2)SCF 62a_100010090012_100015361967 [0,2,0,0,0,0|1,1,0]=4 3706 B15R2.1290 Nc1cccc2c1cc(cc2)SCF 62a_100015361967_100010090012 [0,2,0,0,0,0|1,1,0]=4 3707 B15R2.1290 Nc1ccnc2c1cc(cc2)SCF 62a_100011620571_100015361967 [0,2,0,0,0,0|0,1,0]=3 3708 B15R2.1290 Nc1ccnc2c1cc(cc2)SCF 62a_100015361967_100011620571 [0,2,0,0,0,0|0,1,0]=3 3709 B15R2.1290 Nc1ncnc2c1cc(cc2)SCF 62a_100011390335_100015361967 [0,2,0,0,0,0|1,1,0]=4 3710 B15R2.1290 Nc1ncnc2c1cc(cc2)SCF 62a_100015361967_100011390335 [0,2,0,0,0,0|1,1,0]=4 3711 B15R2.1290 O=c1[nH]cnc2c1cc(cc2)OCF 7a_100011934087_100015361967 [0,2,0,0,0,0|1,0,0]=3 3712 B15R2.1290 O=c1[nH]cnc2c1cc(cc2)SCF 62a_100015361967_100000755678 [0,2,0,0,0,0|1,1,0]=4 3713 B15R2.1290 O=c1cc[nH]c2c1cc(cc2)SCF 62a_100015361967_100000746092 [0,2,0,0,0,0|0,1,1]=4 3714 B15R2.1290 O=c1ccnc2n1cc(cc2)SCF 62a_100010178973_100015361967 [0,2,0,0,0,0|1,1,0]=4 3715 B15R2.1290 O=c1ccnc2n1cc(cc2)SCF 62a_100015361967_100010178973 [0,2,0,0,0,0|1,1,0]=4 3716 B15R2.1290 O=c1ccoc2c1cc(cc2)NCF 34a_100000088200_100015361967 [0,2,0,0,0,0|2,0,0]=4 3717 B15R2.1290 O=c1ccoc2c1cc(cc2)SCF 62a_100015361967_100009813387 [0,2,0,0,0,0|1,1,0]=4 3718 B15R2.1290 Oc1cccc2c1cc(cc2)NCF 34a_100132313934_100015361967 [0,2,0,0,0,0|2,0,0]=4 3719 B15R2.1290 Oc1cccc2c1cc(cc2)SCF 62a_100015361967_100010089991 [0,2,0,0,0,0|1,1,0]=4 3720 B15R2.1290 Oc1cnnc2c1cc(cc2)SCF 62a_100015361967_100010074700 [0,2,0,0,0,0|1,1,0]=4 3721 B15R2.1290 [13CH3]SCc1ccc2ncnc(c2c1)Cl 62a_200010205392_200025704644 [0,2,0,0,0,0|1,1,0]=4 3722 B15R2.1290 [13CH3]SCc1ccc2ncnc(c2c1)Cl 62a_200025704644_200010205392 [0,2,0,0,0,0|1,1,0]=4 3723 B15R2.1601 CC(N[13CH3])c1ccc2ccccc2c1 2230a_100000737073_200025704644 [0,2,0,0,0,0|2,0,0]=4 3724 B15R2.1601 CC(O[13CH3])c1ccc2ccccc2c1 34a_100011215343_200025704644 [0,2,0,0,0,0|1,0,0]=3 3725 B15R2.1601 CC(O[13CH3])c1ccc2ccccc2c1 7a_100011215343_200025704644 [0,2,0,0,0,0|1,0,0]=3 3726 B15R2.1601 CCC(=O)c1ccc2ccccc2c1 1458a_100000210637_100000210202 [0,2,0,0,0,0|2,0,0]=4 3727 B15R2.1601 CCC(=O)c1ccc2ncccc2c1 1458a_100011216044_100000210202 [0,2,0,0,0,0|1,0,0]=3 3728 B15R2.1601 CCC(=O)c1ccc2nccnc2c1 1458a_100000184533_100000210202 [0,2,0,0,0,0|2,0,0]=4 3729 B15R2.1601 CCN(C)c1ccc2ccccc2c1 2230a_100000181211_100000210202 [0,2,0,0,0,0|2,0,0]=4 3730 B15R2.1601 CCN(C)c1ccc2ccccc2c1 2230a_100000220149_200000210301 [0,2,0,0,0,0|2,0,0]=4 3731 B15R2.1601 CCN(C)c1ccc2ccccc2c1 269982a_100000181211_100000204670 [0,2,0,0,0,0|2,0,0]=4 3732 B15R2.1601 CCN(C)c1ccc2ccccc2c1 269982a_100000220149_200000210301 [0,2,0,0,0,0|2,0,0]=4 3733 B15R2.1601 CCN(C)c1ccc2ccccc2c1 34a_100000181211_100000210202 [0,2,0,0,0,0|2,0,0]=4 3734 B15R2.1601 CCN(C)c1ccc2ccccc2c1 34a_100000220149_200000210301 [0,2,0,0,0,0|2,0,0]=4 3735 B15R2.1601 CCN(C)c1ccc2ccccc2c1 7a_100000220149_200000210301 [0,2,0,0,0,0|2,0,0]=4 3736 B15R2.1601 CCN([13CH3])c1ccc2ccccc2c1 2230a_100000220149_200025704644 [0,2,0,0,0,0|2,0,0]=4 3737 B15R2.1601 CCN([13CH3])c1ccc2ccccc2c1 269982a_100000220149_200025704644 [0,2,0,0,0,0|2,0,0]=4 3738 B15R2.1601 CCN([13CH3])c1ccc2ccccc2c1 34a_100000220149_200025704644 [0,2,0,0,0,0|2,0,0]=4 3739 B15R2.1601 CCN([13CH3])c1ccc2ccccc2c1 7a_100000220149_200025704644 [0,2,0,0,0,0|2,0,0]=4 3740 B15R2.1601 CN(CF)c1ccc2ccccc2c1 269982a_100000181211_100015361967 [0,2,0,0,0,0|2,0,0]=4 3741 B15R2.1601 CN(CF)c1ccc2ccccc2c1 34a_100000181211_100015361967 [0,2,0,0,0,0|2,0,0]=4 3742 B15R2.1601 CNC(=O)c1ccc2ccccc2c1 11a_106832991635_100000210637 [0,2,0,0,0,0|2,0,0]=4 3743 B15R2.1601 CNC(=O)c1ccc2ccccc2c1 1626a_100102657272_100000210637 [0,2,0,0,0,0|2,0,0]=4 3744 B15R2.1601 CNC(=O)c1ccc2ccccc2c1 240690a_100102657272_100000210637 [0,2,0,0,0,0|2,0,0]=4 3745 B15R2.1601 CNC(=O)c1ccc2ccccc2c1 527a_100102657272_100000210637 [0,2,0,0,0,0|2,0,0]=4 3746 B15R2.1601 CNC(=O)c1ccc2ncccc2c1 11a_106832991635_100011216044 [0,2,0,0,0,0|1,0,0]=3 3747 B15R2.1601 CNC(=O)c1ccc2ncccc2c1 1626a_100102657272_100011216044 [0,2,0,0,0,0|1,0,0]=3 3748 B15R2.1601 CNC(=O)c1ccc2ncccc2c1 240690a_100102657272_100011216044 [0,2,0,0,0,0|1,0,0]=3 3749 B15R2.1601 CNC(=O)c1ccc2ncccc2c1 527a_100102657272_100011216044 [0,2,0,0,0,0|1,0,0]=3 3750 B15R2.1601 CNC(=O)c1ccc2nccnc2c1 11a_106832991635_100000184533 [0,2,0,0,0,0|2,0,0]=4 3751 B15R2.1601 CNC(=O)c1ccc2nccnc2c1 1626a_100102657272_100000184533 [0,2,0,0,0,0|2,0,0]=4 3752 B15R2.1601 CNC(=O)c1ccc2nccnc2c1 240690a_100102657272_100000184533 [0,2,0,0,0,0|2,0,0]=4 3753 B15R2.1601 CNC(=O)c1ccc2nccnc2c1 527a_100102657272_100000184533 [0,2,0,0,0,0|2,0,0]=4 3754 B15R2.1601 CNC(C)c1ccc2ccccc2c1 2230a_100000737073_200000210301 [0,2,0,0,0,0|2,0,0]=4 3755 B15R2.1601 CNC(C)c1ccc2ccccc2c1 269862a_106832991636_100000210793 [0,2,0,0,0,0|2,0,0]=4 3756 B15R2.1601 CNC(C)c1ccc2ncccc2c1 269862a_106832991636_100011286481 [0,2,0,0,0,0|1,0,0]=3 3757 B15R2.1601 CNC(C)c1ccc2nccnc2c1 269862a_106832991636_100012000623 [0,2,0,0,0,0|2,0,0]=4 3758 B15R2.1601 COC(C)c1ccc2ccccc2c1 34a_100011215343_200000210301 [0,2,0,0,0,0|1,0,0]=3 3759 B15R2.1601 COC(C)c1ccc2ccccc2c1 7a_100011215343_200000210301 [0,2,0,0,0,0|1,0,0]=3 3760 B15R2.1601 O=C(CF)c1ccc2ccccc2c1 1458a_100000210637_100015361967 [0,2,0,0,0,0|2,0,0]=4 3761 B15R2.1601 O=C(CF)c1ccc2ncccc2c1 1458a_100011216044_100015361967 [0,2,0,0,0,0|1,0,0]=3 3762 B15R2.1601 O=C(CF)c1ccc2nccnc2c1 1458a_100000184533_100015361967 [0,2,0,0,0,0|2,0,0]=4 3763 B15R2.1668 CC(=Cc1ccc2ccccc2c1)C 271570a_100102525489_100000233703 [0,2,0,0,0,0|2,0,0]=4 3764 B15R2.1668 CC(=Cc1ccc2ncccc2c1)C 271570a_100102525489_100000754243 [0,2,0,0,0,0|1,0,0]=3 3765 B15R2.1668 CC(=Cc1ccc2ncccc2n1)C 271570a_100102525489_100000073381 [0,2,0,0,0,0|2,0,0]=4 3766 B15R2.1668 CC(=Cc1ccc2nccnc2c1)C 271570a_100102525489_100011219451 [0,2,0,0,0,0|2,0,0]=4 3767 B15R2.1668 CC(=Cc1ccc2ncncc2c1)C 271570a_100102525489_100009989443 [0,2,0,0,0,0|2,0,0]=4 3768 B15R2.1668 CC(=Cc1ccc2nnccc2c1)C 271570a_100102525489_100010209549 [0,2,0,0,0,0|2,0,0]=4 3769 B15R2.1668 CC(=O)Cc1ccc2ccccc2c1 1458a_100000070787_100011216711 [0,2,0,0,0,0|2,0,0]=4 3770 B15R2.1668 CC(=O)Cc1ccc2ccccc2c1 1458a_100000181716_200000210301 [0,2,0,0,0,0|2,0,0]=4 3771 B15R2.1668 CC(=O)Cc1ccc2ncccc2c1 1458a_100000070787_100000703657 [0,2,0,0,0,0|1,0,0]=3 3772 B15R2.1668 CC(=O)Cc1ccc2ncccc2c1 1458a_100011218584_200000210301 [0,2,0,0,0,0|1,0,0]=3 3773 B15R2.1668 CC(=O)Cc1ccc2nccnc2c1 1458a_100000070787_200011762199 [0,2,0,0,0,0|2,0,0]=4 3774 B15R2.1668 CC(=O)Nc1ccc2ccccc2c1 11a_100000211940_100015343762 [0,2,0,0,0,0|2,0,0]=4 3775 B15R2.1668 CC(=O)Nc1ccc2ccccc2c1 1626a_100000211940_100015343762 [0,2,0,0,0,0|2,0,0]=4 3776 B15R2.1668 CC(=O)Nc1ccc2ccccc2c1 22a_100000211940_100000070787 [0,2,0,0,0,0|2,0,0]=4 3777 B15R2.1668 CC(=O)Nc1ccc2ccccc2c1 527a_100000211940_100103153847 [0,2,0,0,0,0|2,0,0]=4 3778 B15R2.1668 CC(=O)Nc1ccc2ncccc2c1 11a_100011198106_100015343762 [0,2,0,0,0,0|1,0,0]=3 3779 B15R2.1668 CC(=O)Nc1ccc2ncccc2c1 1626a_100011198106_100015343762 [0,2,0,0,0,0|1,0,0]=3 3780 B15R2.1668 CC(=O)Nc1ccc2ncccc2c1 22a_100011198106_100000070787 [0,2,0,0,0,0|1,0,0]=3 3781 B15R2.1668 CC(=O)Nc1ccc2ncccc2c1 527a_100011198106_100103153847 [0,2,0,0,0,0|1,0,0]=3 3782 B15R2.1668 CC(=O)Nc1ccc2nccnc2c1 11a_100011219565_100015343762 [0,2,0,0,0,0|2,0,0]=4 3783 B15R2.1668 CC(=O)Nc1ccc2nccnc2c1 1626a_100011219565_100015343762 [0,2,0,0,0,0|2,0,0]=4 3784 B15R2.1668 CC(=O)Nc1ccc2nccnc2c1 22a_100011219565_100000070787 [0,2,0,0,0,0|2,0,0]=4 3785 B15R2.1668 CC(=O)Nc1ccc2nccnc2c1 527a_100011219565_100103153847 [0,2,0,0,0,0|2,0,0]=4 3786 B15R2.1668 CC(=O)Nc1ccc2ncncc2c1 11a_100000099906_100015343762 [0,2,0,0,0,0|2,0,0]=4 3787 B15R2.1668 CC(=O)Nc1ccc2ncncc2c1 1626a_100000099906_100015343762 [0,2,0,0,0,0|2,0,0]=4 3788 B15R2.1668 CC(=O)Nc1ccc2ncncc2c1 22a_100000099906_100000070787 [0,2,0,0,0,0|2,0,0]=4 3789 B15R2.1668 CC(=O)Nc1ccc2ncncc2c1 527a_100000099906_100103153847 [0,2,0,0,0,0|2,0,0]=4 3790 B15R2.1668 CC(C)Nc1ccc2ccccc2c1 34a_100000211940_100000210206 [0,2,0,0,0,0|2,0,0]=4 3791 B15R2.1668 CC(C)Nc1ccc2ccccc2c1 7a_100000211940_100000210206 [0,2,0,0,0,0|2,0,0]=4 3792 B15R2.1668 CC(C)Nc1ccc2ncccc2c1 34a_100011198106_100000210206 [0,2,0,0,0,0|1,0,0]=3 3793 B15R2.1668 CC(C)Nc1ccc2ncccc2n1 27a_100138425928_100000073381 [0,2,0,0,0,0|2,0,0]=4 3794 B15R2.1668 CC(C)Nc1ccc2nccnc2c1 27a_100138425928_100011219451 [0,2,0,0,0,0|2,0,0]=4 3795 B15R2.1668 CC(C)Nc1ccc2nccnc2c1 34a_100011219565_100000210206 [0,2,0,0,0,0|2,0,0]=4 3796 B15R2.1668 CC(C)Oc1ccc2ccccc2c1 34a_100000185828_100000210206 [0,2,0,0,0,0|1,0,0]=3 3797 B15R2.1668 CC(C)Oc1ccc2ccccc2c1 7a_100000185828_100000210206 [0,2,0,0,0,0|1,0,0]=3 3798 B15R2.1668 CC(C)Oc1ccc2cccnc2c1 34a_100011216045_100000210206 [0,2,0,0,0,0|2,0,0]=4 3799 B15R2.1668 CC(C)Oc1ccc2ccncc2c1 7a_100000752006_100000210206 [0,2,0,0,0,0|2,0,0]=4 3800 B15R2.1668 CC(C)Oc1ccc2cnccc2c1 34a_100000046372_100000210206 [0,2,0,0,0,0|2,0,0]=4 3801 B15R2.1668 CC(C)Oc1ccc2cnccc2c1 7a_100000046372_100000210206 [0,2,0,0,0,0|2,0,0]=4 3802 B15R2.1668 CC(C)Oc1ccc2ncccc2c1 34a_100011215586_100000210206 [0,2,0,0,0,0|0,0,0]=2 3803 B15R2.1668 CC(C)Oc1ccc2ncccc2c1 7a_100011215586_100000210206 [0,2,0,0,0,0|0,0,0]=2 3804 B15R2.1668 CC(C)Oc1ccc2nccnc2c1 34a_100000694412_100000210206 [0,2,0,0,0,0|1,0,0]=3 3805 B15R2.1668 CC(C)Oc1cnc2ccccc2c1 34a_100011934006_100000210206 [0,2,0,0,0,0|2,0,0]=4 3806 B15R2.1668 CC(C)Oc1cnc2ccccc2c1 7a_100011934006_100000210206 [0,2,0,0,0,0|2,0,0]=4 3807 B15R2.1668 CC(C)Sc1ccc2ccccc2c1 62a_100000210206_100000233703 [0,2,0,0,0,0|1,1,0]=4 3808 B15R2.1668 CC(C)Sc1ccc2ncccc2c1 62a_100000210206_100011215947 [0,2,0,0,0,0|0,1,0]=3 3809 B15R2.1668 CC(C)Sc1ccc2ncccc2c1 62a_100011215947_100000210206 [0,2,0,0,0,0|0,1,0]=3 3810 B15R2.1668 CC(C)Sc1ccc2ncccc2n1 62a_100000210206_100000073381 [0,2,0,0,0,0|1,1,0]=4 3811 B15R2.1668 CC(C)Sc1ccc2nccnc2c1 62a_100000210206_100011219451 [0,2,0,0,0,0|1,1,0]=4 3812 B15R2.1668 CC(C)Sc1ccc2nccnc2c1 62a_100011219451_100000210206 [0,2,0,0,0,0|1,1,0]=4 3813 B15R2.1668 CC(C)Sc1ccc2ncncc2c1 62a_100000210206_100009989443 [0,2,0,0,0,0|1,1,0]=4 3814 B15R2.1668 CC(C)Sc1ccc2ncncc2c1 62a_100009989443_100000210206 [0,2,0,0,0,0|1,1,0]=4 3815 B15R2.1668 CC(C)Sc1ccc2nnccc2c1 62a_100000210206_100010209549 [0,2,0,0,0,0|1,1,0]=4 3816 B15R2.1668 CC(C)Sc1ccc2nnccc2c1 62a_100010209549_100000210206 [0,2,0,0,0,0|1,1,0]=4 3817 B15R2.1668 CN(C)Cc1ccc2ccccc2c1 2230a_100000185194_200000210301 [0,2,0,0,0,0|2,0,0]=4 3818 B15R2.1668 CN(C)Cc1ccc2ccccc2c1 2230a_100102631434_100011216711 [0,2,0,0,0,0|2,0,0]=4 3819 B15R2.1668 CN(C)Cc1ccc2ccccc2c1 269982a_100000185194_200000210301 [0,2,0,0,0,0|2,0,0]=4 3820 B15R2.1668 CN(C)Cc1ccc2ccccc2c1 269982a_100102631434_100011216711 [0,2,0,0,0,0|2,0,0]=4 3821 B15R2.1668 CN(C)Cc1ccc2ccccc2c1 270004a_100102631434_100000211584 [0,2,0,0,0,0|2,0,0]=4 3822 B15R2.1668 CN(C)Cc1ccc2ncccc2c1 2230a_100000207558_200000210301 [0,2,0,0,0,0|1,0,0]=3 3823 B15R2.1668 CN(C)Cc1ccc2ncccc2c1 2230a_100102631434_100000703657 [0,2,0,0,0,0|1,0,0]=3 3824 B15R2.1668 CN(C)Cc1ccc2ncccc2c1 269982a_100000207558_200000210301 [0,2,0,0,0,0|1,0,0]=3 3825 B15R2.1668 CN(C)Cc1ccc2ncccc2c1 269982a_100102631434_100000703657 [0,2,0,0,0,0|1,0,0]=3 3826 B15R2.1668 CN(C)Cc1ccc2ncccc2c1 270004a_100102631434_100000211315 [0,2,0,0,0,0|1,0,0]=3 3827 B15R2.1668 CN(C)Cc1ccc2nccnc2c1 2230a_100102631434_200011762199 [0,2,0,0,0,0|2,0,0]=4 3828 B15R2.1668 CN(C)Cc1ccc2nccnc2c1 270004a_100102631434_100000239887 [0,2,0,0,0,0|2,0,0]=4 3829 B15R2.1668 CN([13CH3])Cc1ccc2ccccc2c1 2230a_100000185194_200025704644 [0,2,0,0,0,0|2,0,0]=4 3830 B15R2.1668 CN([13CH3])Cc1ccc2ccccc2c1 269982a_100000185194_200025704644 [0,2,0,0,0,0|2,0,0]=4 3831 B15R2.1668 CN([13CH3])Cc1ccc2ncccc2c1 2230a_100000207558_200025704644 [0,2,0,0,0,0|1,0,0]=3 3832 B15R2.1668 CN([13CH3])Cc1ccc2ncccc2c1 269982a_100000207558_200025704644 [0,2,0,0,0,0|1,0,0]=3 3833 B15R2.1668 [13CH3]C(=O)Cc1ccc2ccccc2c1 1458a_100000181716_200025704644 [0,2,0,0,0,0|2,0,0]=4 3834 B15R2.1668 [13CH3]C(=O)Cc1ccc2ncccc2c1 1458a_100011218584_200025704644 [0,2,0,0,0,0|1,0,0]=3 3835 B15R2.10252 C=C=Cc1ccc2nc(ccc2c1)C 271570a_100015277604_100000686635 [0,2,0,0,0,0|1,0,1]=4 3836 B15R2.10252 C=C=Cc1ccc2nc(ccc2c1)Cl 271570a_100015277604_200012034268 [0,2,0,0,0,0|1,0,1]=4 3837 B15R2.10252 C=C=Cc1ccc2nc(ccc2c1)N 271570a_100015277604_100011934619 [0,2,0,0,0,0|1,0,1]=4 3838 B15R2.10252 CC=Cc1ccc2[nH]c(=O)ccc2c1 271570a_100016259895_100011934725 [0,2,0,0,0,0|1,0,1]=4 3839 B15R2.10252 CC=Cc1ccc2cc(ccc2c1)Br 271570a_100016259895_100012344972 [0,2,0,0,0,0|2,0,0]=4 3840 B15R2.10252 CC=Cc1ccc2cc(ccc2c1)F 271570a_100016259895_100009817052 [0,2,0,0,0,0|2,0,0]=4 3841 B15R2.10252 CC=Cc1ccc2cc(ccc2c1)N 271570a_100016259895_100000185457 [0,2,0,0,0,0|2,0,0]=4 3842 B15R2.10252 CC=Cc1ccc2cc(ccc2c1)O 271570a_100016259895_100000185455 [0,2,0,0,0,0|2,0,0]=4 3843 B15R2.10252 CC=Cc1ccc2nc(ccc2c1)C 271570a_100016259895_100000686635 [0,2,0,0,0,0|1,0,0]=3 3844 B15R2.10252 CC=Cc1ccc2nc(ccc2c1)Cl 271570a_100016259895_200012034268 [0,2,0,0,0,0|1,0,0]=3 3845 B15R2.10252 CC=Cc1ccc2nc(ccc2c1)N 271570a_100016259895_100011934619 [0,2,0,0,0,0|1,0,0]=3 3846 B15R2.10252 CC=Cc1ccc2nc(ccc2n1)C 271570a_100016259895_200009884078 [0,2,0,0,0,0|2,0,0]=4 3847 B15R2.10252 CC=Cc1ccc2nc(ncc2c1)N 271570a_100016259895_100010138702 [0,2,0,0,0,0|2,0,0]=4 3848 B15R2.10252 CC=Cc1ccc2oc(=O)ccc2c1 271570a_100016259895_100009999946 [0,2,0,0,0,0|2,0,0]=4 3849 B15R2.10252 CC=Cc1cnc2nc(ccc2c1)N 271570a_100016259895_100010214896 [0,2,0,0,0,0|2,0,0]=4 3850 B15R2.10252 CC=Cc1cnc2nc(ccc2c1)O 271570a_100016259895_100009814606 [0,2,0,0,0,0|2,0,0]=4 3851 B15R2.10252 CCNc1ccc2cc(ccc2c1)Br 34a_100000185457_100000210202 [0,2,0,0,0,0|2,0,0]=4 3852 B15R2.10252 CCNc1ccc2cc(ccc2c1)Br 7a_100000185457_100000210202 [0,2,0,0,0,0|2,0,0]=4 3853 B15R2.10252 CCNc1ccc2nc(ccc2c1)C 34a_100011216442_100000210202 [0,2,0,0,0,0|1,0,0]=3 3854 B15R2.10252 CCNc1ccc2nc(ccc2n1)C 27a_100015525214_200009884078 [0,2,0,0,0,0|2,0,0]=4 3855 B15R2.10252 CCNc1ccc2nc(cnc2c1)Cl 34a_100009885871_100000210202 [0,2,0,0,0,0|2,0,0]=4 3856 B15R2.10252 CCNc1ccc2oc(=O)ccc2c1 7a_100000008519_100000210202 [0,2,0,0,0,0|2,0,0]=4 3857 B15R2.10252 CCOc1ccc2cc(ccc2c1)Br 34a_100000185455_100000210202 [0,2,0,0,0,0|1,0,0]=3 3858 B15R2.10252 CCOc1ccc2cc(ccc2c1)Br 7a_100000185455_100000210202 [0,2,0,0,0,0|1,0,0]=3 3859 B15R2.10252 CCOc1ccc2cc(ccc2c1)C 34a_100000074090_100000210202 [0,2,0,0,0,0|1,0,0]=3 3860 B15R2.10252 CCOc1ccc2cc(ccc2c1)C 7a_100000074090_100000210202 [0,2,0,0,0,0|1,0,0]=3 3861 B15R2.10252 CCOc1ccc2cc(ccc2c1)Cl 34a_100000074905_100000210202 [0,2,0,0,0,0|1,0,0]=3 3862 B15R2.10252 CCOc1ccc2cc(ccc2c1)Cl 7a_100000074905_100000210202 [0,2,0,0,0,0|1,0,0]=3 3863 B15R2.10252 CCOc1ccc2cc(ccc2c1)F 34a_100009847029_100000210202 [0,2,0,0,0,0|1,0,0]=3 3864 B15R2.10252 CCOc1ccc2cc(ccc2c1)F 7a_100009847029_100000210202 [0,2,0,0,0,0|1,0,0]=3 3865 B15R2.10252 CCOc1ccc2cc(ccc2c1)O 271570a_203496583355_100000170440 [0,2,0,0,0,0|1,0,0]=3 3866 B15R2.10252 CCOc1ccc2cc(cnc2c1)Br 34a_200010153753_100000210202 [0,2,0,0,0,0|2,0,0]=4 3867 B15R2.10252 CCOc1ccc2cc(cnc2c1)Br 7a_200010153753_100000210202 [0,2,0,0,0,0|2,0,0]=4 3868 B15R2.10252 CCOc1ccc2nc(ccc2c1)C 34a_100000037634_100000210202 [0,2,0,0,0,0|0,0,0]=2 3869 B15R2.10252 CCOc1ccc2nc(ccc2c1)C 7a_100000037634_100000210202 [0,2,0,0,0,0|0,0,0]=2 3870 B15R2.10252 CCOc1ccc2nc(ccc2c1)Cl 34a_100009849208_100000210202 [0,2,0,0,0,0|0,0,0]=2 3871 B15R2.10252 CCOc1ccc2nc(ccc2c1)Cl 7a_100009849208_100000210202 [0,2,0,0,0,0|0,0,0]=2 3872 B15R2.10252 CCOc1ccc2nc(cnc2c1)Cl 34a_200010664160_100000210202 [0,2,0,0,0,0|1,0,0]=3 3873 B15R2.10252 CCOc1ccc2oc(=O)ccc2c1 34a_100000066265_100000210202 [0,2,0,0,0,0|1,0,0]=3 3874 B15R2.10252 CCOc1ccc2oc(=O)ccc2c1 7a_100000066265_100000210202 [0,2,0,0,0,0|1,0,0]=3 3875 B15R2.10252 CCOc1cnc2cc(ccc2c1)F 34a_100012184162_100000210202 [0,2,0,0,0,0|2,0,0]=4 3876 B15R2.10252 CCOc1cnc2cc(ccc2c1)F 7a_100012184162_100000210202 [0,2,0,0,0,0|2,0,0]=4 3877 B15R2.10252 CCSc1ccc2[nH]c(=O)ccc2c1 62a_100000210202_100011934725 [0,2,0,0,0,0|0,1,1]=4 3878 B15R2.10252 CCSc1ccc2cc(ccc2c1)Br 62a_100000210202_100012344972 [0,2,0,0,0,0|1,1,0]=4 3879 B15R2.10252 CCSc1ccc2cc(ccc2c1)Br 62a_100012344972_100000210202 [0,2,0,0,0,0|1,1,0]=4 3880 B15R2.10252 CCSc1ccc2cc(ccc2c1)F 62a_100000210202_100009817052 [0,2,0,0,0,0|1,1,0]=4 3881 B15R2.10252 CCSc1ccc2cc(ccc2c1)F 62a_100009817052_100000210202 [0,2,0,0,0,0|1,1,0]=4 3882 B15R2.10252 CCSc1ccc2cc(ccc2c1)N 62a_100000185457_100000210202 [0,2,0,0,0,0|1,1,0]=4 3883 B15R2.10252 CCSc1ccc2cc(ccc2c1)N 62a_100000210202_100000185457 [0,2,0,0,0,0|1,1,0]=4 3884 B15R2.10252 CCSc1ccc2cc(ccc2c1)O 62a_100000210202_100000185455 [0,2,0,0,0,0|1,1,0]=4 3885 B15R2.10252 CCSc1ccc2nc(ccc2c1)C 62a_100000210202_100000686635 [0,2,0,0,0,0|0,1,0]=3 3886 B15R2.10252 CCSc1ccc2nc(ccc2c1)C 62a_100000686635_100000210202 [0,2,0,0,0,0|0,1,0]=3 3887 B15R2.10252 CCSc1ccc2nc(ccc2c1)Cl 62a_100000210202_200012034268 [0,2,0,0,0,0|0,1,0]=3 3888 B15R2.10252 CCSc1ccc2nc(ccc2c1)N 62a_100011934619_100000210202 [0,2,0,0,0,0|0,1,0]=3 3889 B15R2.10252 CCSc1ccc2nc(ccc2n1)C 62a_100000210202_200009884078 [0,2,0,0,0,0|1,1,0]=4 3890 B15R2.10252 CCSc1ccc2nc(ncc2c1)N 62a_100000210202_100010138702 [0,2,0,0,0,0|1,1,0]=4 3891 B15R2.10252 CCSc1ccc2nc(ncc2c1)N 62a_100010138702_100000210202 [0,2,0,0,0,0|1,1,0]=4 3892 B15R2.10252 CCSc1ccc2oc(=O)ccc2c1 62a_100000210202_100009999946 [0,2,0,0,0,0|1,1,0]=4 3893 B15R2.10252 CCSc1cnc2nc(ccc2c1)N 62a_100000210202_100010214896 [0,2,0,0,0,0|1,1,0]=4 3894 B15R2.10252 CCSc1cnc2nc(ccc2c1)N 62a_100010214896_100000210202 [0,2,0,0,0,0|1,1,0]=4 3895 B15R2.10252 CCSc1cnc2nc(ccc2c1)O 62a_100000210202_100009814606 [0,2,0,0,0,0|1,1,0]=4 3896 B15R2.10252 CNCc1ccc2cc(ccc2c1)Br 207a_100102657272_100012356508 [0,2,0,0,0,0|2,0,0]=4 3897 B15R2.10252 CNCc1ccc2cc(ccc2c1)Br 2230a_106832991635_100012356510 [0,2,0,0,0,0|2,0,0]=4 3898 B15R2.10252 CNCc1ccc2cc(ccc2c1)Br 26a_100102657272_100000185455 [0,2,0,0,0,0|2,0,0]=4 3899 B15R2.10252 CNCc1ccc2cc(ccc2c1)Br 270004a_106832991635_100012356508 [0,2,0,0,0,0|2,0,0]=4 3900 B15R2.10252 CNCc1ccc2cc(ccc2c1)Br 34a_100102657272_100012356510 [0,2,0,0,0,0|2,0,0]=4 3901 B15R2.10252 CNCc1ccc2cc(ccc2c1)Br 7a_106832991635_100012356510 [0,2,0,0,0,0|2,0,0]=4 3902 B15R2.10252 CNCc1ccc2cc(ccc2c1)O 207a_100102657272_100000067190 [0,2,0,0,0,0|2,0,0]=4 3903 B15R2.10252 CNCc1ccc2cc(ccc2c1)O 270004a_106832991635_100000067190 [0,2,0,0,0,0|2,0,0]=4 3904 B15R2.10252 CNCc1ccc2cc(ccc2c1)O 34a_200000083168_200000210301 [0,2,0,0,0,0|2,0,0]=4 3905 B15R2.10252 CNCc1ccc2nc(ccc2c1)C 207a_100102657272_100000709793 [0,2,0,0,0,0|1,0,0]=3 3906 B15R2.10252 CNCc1ccc2nc(ccc2c1)C 270004a_106832991635_100000709793 [0,2,0,0,0,0|1,0,0]=3 3907 B15R2.10252 CNCc1ccc2nc(ccc2c1)Cl 270004a_106832991635_100000087602 [0,2,0,0,0,0|1,0,0]=3 3908 B15R2.10252 CNCc1ccc2oc(=O)ccc2c1 2230a_106832991635_200010983872 [0,2,0,0,0,0|2,0,0]=4 3909 B15R2.10252 CNCc1ccc2oc(=O)ccc2c1 270004a_106832991635_100000036638 [0,2,0,0,0,0|2,0,0]=4 3910 B15R2.10252 CNCc1ccc2oc(=O)ccc2c1 7a_106832991635_200010983872 [0,2,0,0,0,0|2,0,0]=4 3911 B15R2.10252 COCc1cc2ccc(cc2cn1)Cl 34a_100138415774_200010408301 [0,2,0,0,0,0|2,0,0]=4 3912 B15R2.10252 COCc1ccc2cc(ccc2c1)Br 34a_100012356509_200000210301 [0,2,0,0,0,0|1,0,0]=3 3913 B15R2.10252 COCc1ccc2cc(ccc2c1)Br 34a_100138415774_100012356510 [0,2,0,0,0,0|1,0,0]=3 3914 B15R2.10252 COCc1ccc2cc(ccc2c1)Br 7a_100012356509_200000210301 [0,2,0,0,0,0|1,0,0]=3 3915 B15R2.10252 COCc1ccc2cc(ccc2n1)C 34a_100138415774_100009884411 [0,2,0,0,0,0|2,0,0]=4 3916 B15R2.10252 COCc1ccc2nc(ccc2c1)C 34a_100011934618_200000210301 [0,2,0,0,0,0|0,0,0]=2 3917 B15R2.10252 CSCc1ccc2cc(ccc2c1)Br 62a_100012356510_200000210301 [0,2,0,0,0,0|1,1,0]=4 3918 B15R2.10252 CSCc1ccc2cc(ccc2c1)Br 62a_200000210301_100012356510 [0,2,0,0,0,0|1,1,0]=4 3919 B15R2.10252 CSCc1ccc2oc(=O)ccc2c1 62a_200000210301_200010983872 [0,2,0,0,0,0|1,1,0]=4 3920 B15R2.10252 Cc1ccc2cc(ccc2c1)OCF 34a_100000074090_100015361967 [0,2,0,0,0,0|1,0,0]=3 3921 B15R2.10252 Cc1ccc2cc(ccc2c1)OCF 7a_100000074090_100015361967 [0,2,0,0,0,0|1,0,0]=3 3922 B15R2.10252 Cc1ccc2cc(ccc2n1)CO[13CH3] 34a_100011934618_200025704644 [0,2,0,0,0,0|0,0,0]=2 3923 B15R2.10252 Cc1ccc2cc(ccc2n1)NCF 34a_100011216442_100015361967 [0,2,0,0,0,0|1,0,0]=3 3924 B15R2.10252 Cc1ccc2cc(ccc2n1)OCF 34a_100000037634_100015361967 [0,2,0,0,0,0|0,0,0]=2 3925 B15R2.10252 Cc1ccc2cc(ccc2n1)OCF 7a_100000037634_100015361967 [0,2,0,0,0,0|0,0,0]=2 3926 B15R2.10252 Cc1ccc2cc(ccc2n1)SCF 62a_100000686635_100015361967 [0,2,0,0,0,0|0,1,0]=3 3927 B15R2.10252 Cc1ccc2cc(ccc2n1)SCF 62a_100015361967_100000686635 [0,2,0,0,0,0|0,1,0]=3 3928 B15R2.10252 Cc1ccc2nc(ccc2n1)SCF 62a_100015361967_200009884078 [0,2,0,0,0,0|1,1,0]=4 3929 B15R2.10252 FCNc1ccc2cc(ccc2c1)Br 34a_100000185457_100015361967 [0,2,0,0,0,0|2,0,0]=4 3930 B15R2.10252 FCNc1ccc2cc(ccc2c1)Br 7a_100000185457_100015361967 [0,2,0,0,0,0|2,0,0]=4 3931 B15R2.10252 FCNc1ccc2nc(cnc2c1)Cl 34a_100009885871_100015361967 [0,2,0,0,0,0|2,0,0]=4 3932 B15R2.10252 FCOc1ccc2cc(ccc2c1)Br 34a_100000185455_100015361967 [0,2,0,0,0,0|1,0,0]=3 3933 B15R2.10252 FCOc1ccc2cc(ccc2c1)Br 7a_100000185455_100015361967 [0,2,0,0,0,0|1,0,0]=3 3934 B15R2.10252 FCOc1ccc2cc(ccc2c1)Cl 34a_100000074905_100015361967 [0,2,0,0,0,0|1,0,0]=3 3935 B15R2.10252 FCOc1ccc2cc(ccc2c1)Cl 7a_100000074905_100015361967 [0,2,0,0,0,0|1,0,0]=3 3936 B15R2.10252 FCOc1ccc2cc(ccc2c1)F 34a_100009847029_100015361967 [0,2,0,0,0,0|1,0,0]=3 3937 B15R2.10252 FCOc1ccc2cc(ccc2c1)F 7a_100009847029_100015361967 [0,2,0,0,0,0|1,0,0]=3 3938 B15R2.10252 FCOc1ccc2cc(cnc2c1)Br 34a_200010153753_100015361967 [0,2,0,0,0,0|2,0,0]=4 3939 B15R2.10252 FCOc1ccc2cc(cnc2c1)Br 7a_200010153753_100015361967 [0,2,0,0,0,0|2,0,0]=4 3940 B15R2.10252 FCOc1ccc2nc(ccc2c1)Cl 34a_100009849208_100015361967 [0,2,0,0,0,0|0,0,0]=2 3941 B15R2.10252 FCOc1ccc2nc(ccc2c1)Cl 7a_100009849208_100015361967 [0,2,0,0,0,0|0,0,0]=2 3942 B15R2.10252 FCOc1ccc2nc(cnc2c1)Cl 34a_200010664160_100015361967 [0,2,0,0,0,0|1,0,0]=3 3943 B15R2.10252 FCOc1cnc2cc(ccc2c1)F 34a_100012184162_100015361967 [0,2,0,0,0,0|2,0,0]=4 3944 B15R2.10252 FCOc1cnc2cc(ccc2c1)F 7a_100012184162_100015361967 [0,2,0,0,0,0|2,0,0]=4 3945 B15R2.10252 FCSc1ccc2cc(ccc2c1)Br 62a_100012344972_100015361967 [0,2,0,0,0,0|1,1,0]=4 3946 B15R2.10252 FCSc1ccc2cc(ccc2c1)Br 62a_100015361967_100012344972 [0,2,0,0,0,0|1,1,0]=4 3947 B15R2.10252 FCSc1ccc2cc(ccc2c1)F 62a_100009817052_100015361967 [0,2,0,0,0,0|1,1,0]=4 3948 B15R2.10252 FCSc1ccc2cc(ccc2c1)F 62a_100015361967_100009817052 [0,2,0,0,0,0|1,1,0]=4 3949 B15R2.10252 FCSc1ccc2nc(ccc2c1)Cl 62a_100015361967_200012034268 [0,2,0,0,0,0|0,1,0]=3 3950 B15R2.10252 Nc1ccc2cc(ccc2c1)SCF 62a_100000185457_100015361967 [0,2,0,0,0,0|1,1,0]=4 3951 B15R2.10252 Nc1ccc2cc(ccc2c1)SCF 62a_100015361967_100000185457 [0,2,0,0,0,0|1,1,0]=4 3952 B15R2.10252 Nc1ccc2cc(ccc2n1)SCF 62a_100011934619_100015361967 [0,2,0,0,0,0|0,1,0]=3 3953 B15R2.10252 Nc1ccc2cc(cnc2n1)SCF 62a_100010214896_100015361967 [0,2,0,0,0,0|1,1,0]=4 3954 B15R2.10252 Nc1ccc2cc(cnc2n1)SCF 62a_100015361967_100010214896 [0,2,0,0,0,0|1,1,0]=4 3955 B15R2.10252 Nc1ncc2cc(ccc2n1)SCF 62a_100010138702_100015361967 [0,2,0,0,0,0|1,1,0]=4 3956 B15R2.10252 Nc1ncc2cc(ccc2n1)SCF 62a_100015361967_100010138702 [0,2,0,0,0,0|1,1,0]=4 3957 B15R2.10252 O=c1ccc2cc(ccc2[nH]1)SCF 62a_100015361967_100011934725 [0,2,0,0,0,0|0,1,1]=4 3958 B15R2.10252 O=c1ccc2cc(ccc2o1)NCF 7a_100000008519_100015361967 [0,2,0,0,0,0|2,0,0]=4 3959 B15R2.10252 O=c1ccc2cc(ccc2o1)OCF 34a_100000066265_100015361967 [0,2,0,0,0,0|1,0,0]=3 3960 B15R2.10252 O=c1ccc2cc(ccc2o1)OCF 7a_100000066265_100015361967 [0,2,0,0,0,0|1,0,0]=3 3961 B15R2.10252 O=c1ccc2cc(ccc2o1)SCF 62a_100015361967_100009999946 [0,2,0,0,0,0|1,1,0]=4 3962 B15R2.10252 Oc1ccc2cc(ccc2c1)SCF 62a_100015361967_100000185455 [0,2,0,0,0,0|1,1,0]=4 3963 B15R2.10252 Oc1ccc2cc(cnc2n1)SCF 62a_100015361967_100009814606 [0,2,0,0,0,0|1,1,0]=4 3964 B15R2.10252 [13CH3]NCc1ccc2cc(ccc2c1)O 34a_200000083168_200025704644 [0,2,0,0,0,0|2,0,0]=4 3965 B15R2.10252 [13CH3]OCc1ccc2cc(ccc2c1)Br 34a_100012356509_200025704644 [0,2,0,0,0,0|1,0,0]=3 3966 B15R2.10252 [13CH3]OCc1ccc2cc(ccc2c1)Br 7a_100012356509_200025704644 [0,2,0,0,0,0|1,0,0]=3 3967 B15R2.10252 [13CH3]SCc1ccc2cc(ccc2c1)Br 62a_100012356510_200025704644 [0,2,0,0,0,0|1,1,0]=4 3968 B15R2.10252 [13CH3]SCc1ccc2cc(ccc2c1)Br 62a_200025704644_100012356510 [0,2,0,0,0,0|1,1,0]=4 3969 B15R2.10252 [13CH3]SCc1ccc2oc(=O)ccc2c1 62a_200025704644_200010983872 [0,2,0,0,0,0|1,1,0]=4 3970 B15R2.54379 CC=Cc1ccc2c(cccc2c1)N 271570a_100016259895_100010090037 [0,2,0,0,0,0|2,0,0]=4 3971 B15R2.54379 CC=Cc1ccc2c(cccc2c1)O 271570a_100016259895_100010202202 [0,2,0,0,0,0|2,0,0]=4 3972 B15R2.54379 CCNc1ccc2c(cccc2c1)O 34a_100000035793_100000210202 [0,2,0,0,0,0|2,0,0]=4 3973 B15R2.54379 CCNc1ccc2c(cccc2c1)O 7a_100000035793_100000210202 [0,2,0,0,0,0|2,0,0]=4 3974 B15R2.54379 CCOc1ccc2c(=O)[nH]ccc2c1 34a_100009857879_100000210202 [0,2,0,0,0,0|2,0,0]=4 3975 B15R2.54379 CCOc1ccc2c(=O)[nH]ccc2c1 7a_100009857879_100000210202 [0,2,0,0,0,0|2,0,0]=4 3976 B15R2.54379 CCOc1ccc2c(=O)ccoc2c1 34a_200000065989_100000210202 [0,2,0,0,0,0|2,0,0]=4 3977 B15R2.54379 CCOc1ccc2c(=O)ccoc2c1 7a_200000065989_100000210202 [0,2,0,0,0,0|2,0,0]=4 3978 B15R2.54379 CCOc1ccc2c(cccc2c1)N 34a_100000034668_100000210202 [0,2,0,0,0,0|1,0,0]=3 3979 B15R2.54379 CCOc1ccc2c(cccc2c1)N 7a_100000034668_100000210202 [0,2,0,0,0,0|1,0,0]=3 3980 B15R2.54379 CCOc1ccc2c(ccnc2c1)Br 34a_100010204257_100000210202 [0,2,0,0,0,0|2,0,0]=4 3981 B15R2.54379 CCOc1ccc2c(ccnc2c1)Br 7a_100010204257_100000210202 [0,2,0,0,0,0|2,0,0]=4 3982 B15R2.54379 CCOc1ccc2c(ccnc2c1)C 34a_200009854145_100000210202 [0,2,0,0,0,0|2,0,0]=4 3983 B15R2.54379 CCOc1ccc2c(ccnc2c1)C 7a_200009854145_100000210202 [0,2,0,0,0,0|2,0,0]=4 3984 B15R2.54379 CCOc1ccc2c(ccnc2c1)Cl 34a_100000045489_100000210202 [0,2,0,0,0,0|2,0,0]=4 3985 B15R2.54379 CCOc1ccc2c(ccnc2c1)Cl 7a_100000045489_100000210202 [0,2,0,0,0,0|2,0,0]=4 3986 B15R2.54379 CCOc1ccc2c(nccc2c1)Cl 34a_100009867704_100000210202 [0,2,0,0,0,0|2,0,0]=4 3987 B15R2.54379 CCOc1ccc2c(nccc2c1)Cl 7a_100009867704_100000210202 [0,2,0,0,0,0|2,0,0]=4 3988 B15R2.54379 CCOc1cnc2c(cccc2c1)F 34a_100012184956_100000210202 [0,2,0,0,0,0|2,0,0]=4 3989 B15R2.54379 CCOc1cnc2c(cccc2c1)F 7a_100012184956_100000210202 [0,2,0,0,0,0|2,0,0]=4 3990 B15R2.54379 CCSc1ccc2c(cccc2c1)N 62a_100000210202_100010090037 [0,2,0,0,0,0|1,1,0]=4 3991 B15R2.54379 CCSc1ccc2c(cccc2c1)N 62a_100010090037_100000210202 [0,2,0,0,0,0|1,1,0]=4 3992 B15R2.54379 CCSc1ccc2c(cccc2c1)O 62a_100000210202_100010202202 [0,2,0,0,0,0|1,1,0]=4 3993 B15R2.54379 Cc1ccnc2c1ccc(c2)OCF 34a_200009854145_100015361967 [0,2,0,0,0,0|2,0,0]=4 3994 B15R2.54379 Cc1ccnc2c1ccc(c2)OCF 7a_200009854145_100015361967 [0,2,0,0,0,0|2,0,0]=4 3995 B15R2.54379 FCOc1ccc2c(ccnc2c1)Br 34a_100010204257_100015361967 [0,2,0,0,0,0|2,0,0]=4 3996 B15R2.54379 FCOc1ccc2c(ccnc2c1)Br 7a_100010204257_100015361967 [0,2,0,0,0,0|2,0,0]=4 3997 B15R2.54379 FCOc1ccc2c(ccnc2c1)Cl 34a_100000045489_100015361967 [0,2,0,0,0,0|2,0,0]=4 3998 B15R2.54379 FCOc1ccc2c(ccnc2c1)Cl 7a_100000045489_100015361967 [0,2,0,0,0,0|2,0,0]=4 3999 B15R2.54379 FCOc1ccc2c(nccc2c1)Cl 34a_100009867704_100015361967 [0,2,0,0,0,0|2,0,0]=4 4000 B15R2.54379 FCOc1ccc2c(nccc2c1)Cl 7a_100009867704_100015361967 [0,2,0,0,0,0|2,0,0]=4 4001 B15R2.54379 FCOc1cnc2c(cccc2c1)F 34a_100012184956_100015361967 [0,2,0,0,0,0|2,0,0]=4 4002 B15R2.54379 FCOc1cnc2c(cccc2c1)F 7a_100012184956_100015361967 [0,2,0,0,0,0|2,0,0]=4 4003 B15R2.54379 Nc1cccc2c1ccc(c2)OCF 34a_100000034668_100015361967 [0,2,0,0,0,0|1,0,0]=3 4004 B15R2.54379 Nc1cccc2c1ccc(c2)OCF 7a_100000034668_100015361967 [0,2,0,0,0,0|1,0,0]=3 4005 B15R2.54379 Nc1cccc2c1ccc(c2)SCF 62a_100010090037_100015361967 [0,2,0,0,0,0|1,1,0]=4 4006 B15R2.54379 Nc1cccc2c1ccc(c2)SCF 62a_100015361967_100010090037 [0,2,0,0,0,0|1,1,0]=4 4007 B15R2.54379 O=c1[nH]ccc2c1ccc(c2)OCF 34a_100009857879_100015361967 [0,2,0,0,0,0|2,0,0]=4 4008 B15R2.54379 O=c1[nH]ccc2c1ccc(c2)OCF 7a_100009857879_100015361967 [0,2,0,0,0,0|2,0,0]=4 4009 B15R2.54379 O=c1ccoc2c1ccc(c2)OCF 34a_200000065989_100015361967 [0,2,0,0,0,0|2,0,0]=4 4010 B15R2.54379 O=c1ccoc2c1ccc(c2)OCF 7a_200000065989_100015361967 [0,2,0,0,0,0|2,0,0]=4 4011 B15R2.54379 Oc1cccc2c1ccc(c2)NCF 34a_100000035793_100015361967 [0,2,0,0,0,0|2,0,0]=4 4012 B15R2.54379 Oc1cccc2c1ccc(c2)NCF 7a_100000035793_100015361967 [0,2,0,0,0,0|2,0,0]=4 4013 B15R2.54379 Oc1cccc2c1ccc(c2)SCF 62a_100015361967_100010202202 [0,2,0,0,0,0|1,1,0]=4 4014 B15R2.1824 C=Cc1cc2cc(cnc2cc1F)N 271570a_100011290941_100021278121 [0,2,0,0,0,0|1,0,1]=4 4015 B15R2.1824 CSc1cc2cc(cnc2cc1F)N 62a_100021278121_200000210301 [0,2,0,0,0,0|0,1,0]=3 4016 B15R2.1824 CSc1cc2cc(cnc2cc1F)N 62a_200000210301_100021278121 [0,2,0,0,0,0|0,1,0]=3 4017 B15R2.1824 [13CH3]Sc1cc2cc(cnc2cc1F)N 62a_100021278121_200025704644 [0,2,0,0,0,0|0,1,0]=3 4018 B15R2.1824 [13CH3]Sc1cc2cc(cnc2cc1F)N 62a_200025704644_100021278121 [0,2,0,0,0,0|0,1,0]=3 4019 B15R2.2708 CNc1cc(c2ncc(cc2c1)Br)Br 34a_100010069473_200000210301 [0,2,0,0,0,0|1,0,0]=3 4020 B15R2.2708 CNc1cc(c2ncc(cc2c1)Br)Br 7a_100010069473_200000210301 [0,2,0,0,0,0|1,0,0]=3 4021 B15R2.2708 CNc1cc(c2ncc(cc2c1)Br)F 34a_100010780968_200000210301 [0,2,0,0,0,0|1,0,0]=3 4022 B15R2.2708 CNc1cc(c2ncc(cc2c1)Br)F 7a_100010780968_200000210301 [0,2,0,0,0,0|1,0,0]=3 4023 B15R2.2708 COc1cc(c2ccc(=O)oc2c1)C 34a_100000029242_200000210301 [0,2,0,0,0,0|2,0,0]=4 4024 B15R2.2708 COc1cc(c2ccc(=O)oc2c1)C 7a_100000029242_200000210301 [0,2,0,0,0,0|2,0,0]=4 4025 B15R2.2708 Cc1cc(cc2c1ccc(=O)o2)O[13CH3] 34a_100000029242_200025704644 [0,2,0,0,0,0|2,0,0]=4 4026 B15R2.2708 Cc1cc(cc2c1ccc(=O)o2)O[13CH3] 7a_100000029242_200025704644 [0,2,0,0,0,0|2,0,0]=4 4027 B15R2.2708 [13CH3]Nc1cc(c2ncc(cc2c1)Br)Br 34a_100010069473_200025704644 [0,2,0,0,0,0|1,0,0]=3 4028 B15R2.2708 [13CH3]Nc1cc(c2ncc(cc2c1)Br)Br 7a_100010069473_200025704644 [0,2,0,0,0,0|1,0,0]=3 4029 B15R2.2708 [13CH3]Nc1cc(c2ncc(cc2c1)Br)F 34a_100010780968_200025704644 [0,2,0,0,0,0|1,0,0]=3 4030 B15R2.2708 [13CH3]Nc1cc(c2ncc(cc2c1)Br)F 7a_100010780968_200025704644 [0,2,0,0,0,0|1,0,0]=3 4031 B15R2.4776 C=Cc1ccc2ccc(cc2c1)OC 271570a_100011290941_100010090027 [0,2,0,0,0,0|1,0,0]=3 4032 B15R2.4776 C=Cc1ccc2ccc(cc2n1)OC 271570a_100011290941_100009877240 [0,2,0,0,0,0|2,0,0]=4 4033 B15R2.4776 C=Cc1ccc2ccc(nc2c1)OC 271570a_100011290941_100010248626 [0,2,0,0,0,0|2,0,0]=4 4034 B15R2.4776 C=Cc1ccc2ncc(cc2c1)C#N 271570a_100011290941_100010885934 [0,2,0,0,0,0|1,0,1]=4 4035 B15R2.4776 C=Cc1ccc2ncc(cc2c1)C=O 271570a_100011290941_100010174008 [0,2,0,0,0,0|1,0,1]=4 4036 B15R2.4776 C=Cc1cnc2ccc(cc2c1)OC 271570a_100011290941_100000700671 [0,2,0,0,0,0|0,0,0]=2 4037 B15R2.4776 C=Cc1cnc2ccc(cc2n1)OC 271570a_100011290941_100009882714 [0,2,0,0,0,0|1,0,0]=3 4038 B15R2.4776 CNc1ccc2ccc(cc2n1)OC 27a_100102657272_100009877240 [0,2,0,0,0,0|2,0,0]=4 4039 B15R2.4776 CNc1cnc2ccc(cc2n1)OC 27a_100102657272_100009882714 [0,2,0,0,0,0|1,0,0]=3 4040 B15R2.4776 COc1ccc2ccc(cc2c1)C#N 34a_100000090773_200000210301 [0,2,0,0,0,0|1,0,0]=3 4041 B15R2.4776 COc1ccc2ccc(cc2c1)C#N 7a_100000090773_200000210301 [0,2,0,0,0,0|1,0,0]=3 4042 B15R2.4776 COc1ccc2ccc(cc2c1)OC 34a_100000179802_200000210301 [0,2,0,0,0,0|1,0,0]=3 4043 B15R2.4776 COc1ccc2ccc(cc2c1)OC 7a_100000179802_200000210301 [0,2,0,0,0,0|1,0,0]=3 4044 B15R2.4776 COc1ccc2ccc(cc2c1)O[13CH3] 34a_100000179802_200025704644 [0,2,0,0,0,0|1,0,0]=3 4045 B15R2.4776 COc1ccc2ccc(cc2c1)O[13CH3] 7a_100000179802_200025704644 [0,2,0,0,0,0|1,0,0]=3 4046 B15R2.4776 COc1ccc2ccc(cc2c1)SC 62a_200000210301_100010090027 [0,2,0,0,0,0|1,0,0]=3 4047 B15R2.4776 COc1ccc2ccc(cc2c1)S[13CH3] 62a_200025704644_100010090027 [0,2,0,0,0,0|1,0,0]=3 4048 B15R2.4776 COc1ccc2ccc(cc2n1)SC 62a_100010248626_200000210301 [0,2,0,0,0,0|2,0,0]=4 4049 B15R2.4776 COc1ccc2ccc(cc2n1)SC 62a_200000210301_100010248626 [0,2,0,0,0,0|2,0,0]=4 4050 B15R2.4776 COc1ccc2ccc(cc2n1)S[13CH3] 62a_100010248626_200025704644 [0,2,0,0,0,0|2,0,0]=4 4051 B15R2.4776 COc1ccc2ccc(cc2n1)S[13CH3] 62a_200025704644_100010248626 [0,2,0,0,0,0|2,0,0]=4 4052 B15R2.4776 COc1ccc2ccc(nc2c1)SC 62a_200000210301_100009877240 [0,2,0,0,0,0|2,0,0]=4 4053 B15R2.4776 COc1ccc2ccc(nc2c1)S[13CH3] 62a_200025704644_100009877240 [0,2,0,0,0,0|2,0,0]=4 4054 B15R2.4776 COc1ccc2ncc(cc2c1)SC 62a_200000210301_100000700671 [0,2,0,0,0,0|0,0,0]=2 4055 B15R2.4776 COc1ccc2ncc(cc2c1)S[13CH3] 62a_200025704644_100000700671 [0,2,0,0,0,0|0,0,0]=2 4056 B15R2.4776 COc1ccc2ncc(nc2c1)SC 62a_200000210301_100009882714 [0,2,0,0,0,0|1,0,0]=3 4057 B15R2.4776 COc1ccc2ncc(nc2c1)S[13CH3] 62a_200025704644_100009882714 [0,2,0,0,0,0|1,0,0]=3 4058 B15R2.4776 COc1cnc2ccc(cc2n1)SC 62a_100010293655_200000210301 [0,2,0,0,0,0|1,1,0]=4 4059 B15R2.4776 COc1cnc2ccc(cc2n1)SC 62a_200000210301_100010293655 [0,2,0,0,0,0|1,1,0]=4 4060 B15R2.4776 COc1cnc2ccc(cc2n1)S[13CH3] 62a_100010293655_200025704644 [0,2,0,0,0,0|1,1,0]=4 4061 B15R2.4776 COc1cnc2ccc(cc2n1)S[13CH3] 62a_200025704644_100010293655 [0,2,0,0,0,0|1,1,0]=4 4062 B15R2.4776 CSc1ccc2ccc(cc2c1)C=O 62a_100010200085_200000210301 [0,2,0,0,0,0|1,1,0]=4 4063 B15R2.4776 CSc1ccc2ccc(cc2c1)C=O 62a_200000210301_100010200085 [0,2,0,0,0,0|1,1,0]=4 4064 B15R2.4776 CSc1ccc2ncc(cc2c1)C#N 62a_200000210301_100010885934 [0,2,0,0,0,0|0,1,0]=3 4065 B15R2.4776 CSc1ccc2ncc(cc2c1)C=O 62a_100010174008_200000210301 [0,2,0,0,0,0|0,1,0]=3 4066 B15R2.4776 CSc1ccc2ncc(cc2c1)C=O 62a_200000210301_100010174008 [0,2,0,0,0,0|0,1,0]=3 4067 B15R2.4776 [13CH3]Oc1ccc2ccc(cc2c1)C#N 34a_100000090773_200025704644 [0,2,0,0,0,0|1,0,0]=3 4068 B15R2.4776 [13CH3]Oc1ccc2ccc(cc2c1)C#N 7a_100000090773_200025704644 [0,2,0,0,0,0|1,0,0]=3 4069 B15R2.4776 [13CH3]Sc1ccc2ccc(cc2c1)C=O 62a_100010200085_200025704644 [0,2,0,0,0,0|1,1,0]=4 4070 B15R2.4776 [13CH3]Sc1ccc2ccc(cc2c1)C=O 62a_200025704644_100010200085 [0,2,0,0,0,0|1,1,0]=4 4071 B15R2.4776 [13CH3]Sc1ccc2ncc(cc2c1)C#N 62a_200025704644_100010885934 [0,2,0,0,0,0|0,1,0]=3 4072 B15R2.4776 [13CH3]Sc1ccc2ncc(cc2c1)C=O 62a_100010174008_200025704644 [0,2,0,0,0,0|0,1,0]=3 4073 B15R2.4776 [13CH3]Sc1ccc2ncc(cc2c1)C=O 62a_200025704644_100010174008 [0,2,0,0,0,0|0,1,0]=3 4074 B15R2.4807 COc1ccc2ccc(c(c2c1)F)F 34a_100000100812_200000210301 [0,2,0,0,0,0|1,0,0]=3 4075 B15R2.4807 COc1ccc2ccc(c(c2c1)F)F 7a_100000100812_200000210301 [0,2,0,0,0,0|1,0,0]=3 4076 B15R2.4807 COc1ccc2ccc(c(c2n1)C)Cl 34a_100000697521_200000210301 [0,2,0,0,0,0|2,0,0]=4 4077 B15R2.4807 COc1ccc2ncc(c(c2n1)O)F 271570a_203496583355_100010199755 [0,2,0,0,0,0|1,0,0]=3 4078 B15R2.4807 COc1ccc2ncn(c(=O)c2c1)C 7a_200000716950_200000210301 [0,2,0,0,0,0|1,0,0]=3 4079 B15R2.4807 CSc1ccc2ncc(=O)n(c2c1)C 62a_100010221214_200000210301 [0,2,0,0,0,0|1,1,0]=4 4080 B15R2.4807 CSc1ccc2ncc(=O)n(c2c1)C 62a_200000210301_100010221214 [0,2,0,0,0,0|1,1,0]=4 4081 B15R2.4807 CSc1ccc2ncn(c(=O)c2c1)C 62a_100009814510_200000210301 [0,2,0,0,0,0|1,1,0]=4 4082 B15R2.4807 CSc1ccc2ncn(c(=O)c2c1)C 62a_200000210301_100009814510 [0,2,0,0,0,0|1,1,0]=4 4083 B15R2.4807 Cc1c(ccc2c1nc(cc2)O[13CH3])Cl 34a_100000697521_200025704644 [0,2,0,0,0,0|2,0,0]=4 4084 B15R2.4807 Cn1c(=O)cnc2c1cc(cc2)S[13CH3] 62a_100010221214_200025704644 [0,2,0,0,0,0|1,1,0]=4 4085 B15R2.4807 Cn1c(=O)cnc2c1cc(cc2)S[13CH3] 62a_200025704644_100010221214 [0,2,0,0,0,0|1,1,0]=4 4086 B15R2.4807 Cn1cnc2ccc(cc2c1=O)O[13CH3] 7a_200000716950_200025704644 [0,2,0,0,0,0|1,0,0]=3 4087 B15R2.4807 Cn1cnc2ccc(cc2c1=O)S[13CH3] 62a_100009814510_200025704644 [0,2,0,0,0,0|1,1,0]=4 4088 B15R2.4807 Cn1cnc2ccc(cc2c1=O)S[13CH3] 62a_200025704644_100009814510 [0,2,0,0,0,0|1,1,0]=4 4089 B15R2.4807 [13CH3]Oc1ccc2ccc(c(c2c1)F)F 34a_100000100812_200025704644 [0,2,0,0,0,0|1,0,0]=3 4090 B15R2.4807 [13CH3]Oc1ccc2ccc(c(c2c1)F)F 7a_100000100812_200025704644 [0,2,0,0,0,0|1,0,0]=3 4091 B15R2.7174 C=C(C)c1ccc2ccc(cc2c1)N 271570a_100000694244_100010090036 [0,2,0,0,0,0|2,0,0]=4 4092 B15R2.7174 C=C(C)c1ccc2ccc(cc2c1)O 271570a_100000694244_100009816537 [0,2,0,0,0,0|2,0,0]=4 4093 B15R2.7174 C=C(C)c1ccc2ncc(cc2c1)Br 271570a_100000694244_200010254249 [0,2,0,0,0,0|1,0,0]=3 4094 B15R2.7174 C=C(C)c1ccc2ncc(cc2c1)C 271570a_100000694244_100009817055 [0,2,0,0,0,0|1,0,0]=3 4095 B15R2.7174 C=C(C)c1ccc2ncc(cc2c1)O 271570a_100000694244_100000703654 [0,2,0,0,0,0|1,0,0]=3 4096 B15R2.7174 C=C(C)c1ccc2ncc(cc2n1)F 271570a_100000694244_100009889179 [0,2,0,0,0,0|2,0,0]=4 4097 B15R2.7174 C=C(C)c1ccc2ncc(nc2c1)N 271570a_100000694244_100010090528 [0,2,0,0,0,0|2,0,0]=4 4098 B15R2.7174 C=C(C)c1ccc2ncc(nc2c1)O 271570a_100000694244_100010000190 [0,2,0,0,0,0|2,0,0]=4 4099 B15R2.7174 CC(=O)c1ccc2ccc(cc2c1)Br 1458a_200010152650_200000210301 [0,2,0,0,0,0|2,0,0]=4 4100 B15R2.7174 CC(=O)c1ccc2ncc(cc2c1)Br 1458a_100010130286_200000210301 [0,2,0,0,0,0|1,0,0]=3 4101 B15R2.7174 CC(=O)c1ccc2ncc(cc2c1)O 271570a_203496583355_100010254247 [0,2,0,0,0,0|1,0,0]=3 4102 B15R2.7174 CN(C)c1ccc2ncc(cc2n1)F 27a_100102631434_100009889179 [0,2,0,0,0,0|2,0,0]=4 4103 B15R2.7174 [13CH3]C(=O)c1ccc2ccc(cc2c1)Br 1458a_200010152650_200025704644 [0,2,0,0,0,0|2,0,0]=4 4104 B15R2.7174 [13CH3]C(=O)c1ccc2ncc(cc2c1)Br 1458a_100010130286_200025704644 [0,2,0,0,0,0|1,0,0]=3 4105 B15R2.21336 C=Cc1ccc2nc(c(cc2c1)C)N 271570a_100011290941_100011830096 [0,2,0,0,0,0|1,0,1]=4 4106 B15R2.21336 CNc1ccc2nc(c(nc2c1)C)C 34a_100000066775_200000210301 [0,2,0,0,0,0|2,0,0]=4 4107 B15R2.21336 COc1ccc2cc(c(nc2c1)O)C 271570a_203496583355_100000069976 [0,2,0,0,0,0|2,0,0]=4 4108 B15R2.21336 COc1ccc2nc(c(cc2c1)C)O 271570a_203496583355_100000697009 [0,2,0,0,0,0|0,0,0]=2 4109 B15R2.21336 CSc1ccc2nc(c(cc2c1)C)N 62a_100011830096_200000210301 [0,2,0,0,0,0|0,1,0]=3 4110 B15R2.21336 CSc1ccc2nc(c(cc2c1)C)N 62a_200000210301_100011830096 [0,2,0,0,0,0|0,1,0]=3 4111 B15R2.21336 Cc1cc2cc(ccc2nc1N)S[13CH3] 62a_100011830096_200025704644 [0,2,0,0,0,0|0,1,0]=3 4112 B15R2.21336 Cc1cc2cc(ccc2nc1N)S[13CH3] 62a_200025704644_100011830096 [0,2,0,0,0,0|0,1,0]=3 4113 B15R2.21336 Cc1nc2ccc(cc2nc1C)N[13CH3] 34a_100000066775_200025704644 [0,2,0,0,0,0|2,0,0]=4 4114 B15R2.89396 COc1ccc2c([nH]c(=O)cc2c1)O 271570a_203496583355_100010989755 [0,2,0,0,0,0|2,0,0]=4 4115 B15R2.89396 COc1ccc2c(cc(=O)oc2c1)C 34a_100000181958_200000210301 [0,2,0,0,0,0|2,0,0]=4 4116 B15R2.89396 COc1ccc2c(cc(=O)oc2c1)C 7a_100000181958_200000210301 [0,2,0,0,0,0|2,0,0]=4 4117 B15R2.89396 COc1ccc2c(cc(nc2c1)C)O 271570a_203496583355_100000044451 [0,2,0,0,0,0|2,0,0]=4 4118 B15R2.89396 COc1ccc2c(cc(nc2c1)O)C 271570a_203496583355_100000010170 [0,2,0,0,0,0|2,0,0]=4 4119 B15R2.89396 Cc1cc(=O)oc2c1ccc(c2)O[13CH3] 34a_100000181958_200025704644 [0,2,0,0,0,0|2,0,0]=4 4120 B15R2.89396 Cc1cc(=O)oc2c1ccc(c2)O[13CH3] 7a_100000181958_200025704644 [0,2,0,0,0,0|2,0,0]=4 4121 B15R2.2393 CNc1cc2c(ncnc2cc1F)O 27a_100102657272_100000699150 [0,2,0,0,0,0|2,0,0]=4 4122 B15R2.2393 COc1cc2c(ccnc2cc1F)O 271570a_203496583355_100000725136 [0,2,0,0,0,0|0,0,0]=2 4123 B15R2.2393 COc1cc2c(ccnc2cc1O)O 271570a_203496583355_100010174314 [0,2,0,0,0,0|0,0,0]=2 4124 B15R2.2393 CSc1cc2c(ncnc2cc1F)O 62a_100000699150_200000210301 [0,2,0,0,0,0|1,1,0]=4 4125 B15R2.2393 CSc1cc2c(ncnc2cc1F)O 62a_200000210301_100000699150 [0,2,0,0,0,0|1,1,0]=4 4126 B15R2.2393 [13CH3]Sc1cc2c(ncnc2cc1F)O 62a_100000699150_200025704644 [0,2,0,0,0,0|1,1,0]=4 4127 B15R2.2393 [13CH3]Sc1cc2c(ncnc2cc1F)O 62a_200025704644_100000699150 [0,2,0,0,0,0|1,1,0]=4 4128 B15R2.2743 CSc1cc(c2[nH]ccc(=O)c2c1)F 62a_200000210301_100000749450 [0,2,0,0,0,0|0,1,1]=4 4129 B15R2.2743 [13CH3]Sc1cc(c2[nH]ccc(=O)c2c1)F 62a_200025704644_100000749450 [0,2,0,0,0,0|0,1,1]=4 4130 B15R2.4846 C=Cc1ccc2nccc(c2c1)C=O 271570a_100011290941_100010176920 [0,2,0,0,0,0|1,0,1]=4 4131 B15R2.4846 C=Cc1ccc2nccc(c2c1)NC 271570a_100011290941_200011620572 [0,2,0,0,0,0|1,0,1]=4 4132 B15R2.4846 C=Cc1ccc2nccc(c2c1)OC 271570a_100011290941_100009816692 [0,2,0,0,0,0|1,0,1]=4 4133 B15R2.4846 C=Cc1cccc2c1cc(cc2)OC 271570a_100011290941_100010178974 [0,2,0,0,0,0|1,0,0]=3 4134 B15R2.4846 C=Cc1cccc2c1cc(nc2)OC 271570a_100011290941_100010126886 [0,2,0,0,0,0|2,0,0]=4 4135 B15R2.4846 C=Cc1ccnc2c1cc(cc2)C#N 271570a_100011290941_100010204249 [0,2,0,0,0,0|2,0,0]=4 4136 B15R2.4846 C=Cc1ccnc2c1cc(cc2)OC 271570a_100011290941_100011310462 [0,2,0,0,0,0|0,0,0]=2 4137 B15R2.4846 C=Cc1ccnc2c1nc(cc2)OC 271570a_100011290941_100000090520 [0,2,0,0,0,0|1,0,0]=3 4138 B15R2.4846 C=Cc1nccc2c1cc(cc2)OC 271570a_100011290941_100012348807 [0,2,0,0,0,0|2,0,0]=4 4139 B15R2.4846 C=Cc1ncnc2c1cc(cc2)OC 271570a_100011290941_100011804145 [0,2,0,0,0,0|1,0,0]=3 4140 B15R2.4846 CNc1cccc2c1cc(cc2)OC 34a_100000087654_200000210301 [0,2,0,0,0,0|1,0,0]=3 4141 B15R2.4846 CNc1cccc2c1cc(cn2)OC 34a_202127653878_200000210301 [0,2,0,0,0,0|2,0,0]=4 4142 B15R2.4846 CNc1ccnc2c1cc(cc2)C#N 27a_100102657272_100010204249 [0,2,0,0,0,0|2,0,0]=4 4143 B15R2.4846 CNc1ccnc2c1cc(cc2)OC 27a_100102657272_100011310462 [0,2,0,0,0,0|0,0,0]=2 4144 B15R2.4846 CNc1ccnc2c1cc(cc2)SC 62a_200000210301_200011620572 [0,2,0,0,0,0|0,1,0]=3 4145 B15R2.4846 CNc1ccnc2c1cc(cc2)S[13CH3] 62a_200025704644_200011620572 [0,2,0,0,0,0|0,1,0]=3 4146 B15R2.4846 CNc1ccnc2c1nc(cc2)OC 27a_100102657272_100000090520 [0,2,0,0,0,0|1,0,0]=3 4147 B15R2.4846 CNc1nccc2c1cc(cc2)OC 27a_100102657272_100012348807 [0,2,0,0,0,0|2,0,0]=4 4148 B15R2.4846 CNc1ncnc2c1cc(cc2)OC 27a_100102657272_100011804145 [0,2,0,0,0,0|1,0,0]=3 4149 B15R2.4846 COc1cc2c(cccc2cn1)SC 62a_100010126886_200000210301 [0,2,0,0,0,0|2,0,0]=4 4150 B15R2.4846 COc1cc2c(cccc2cn1)SC 62a_200000210301_100010126886 [0,2,0,0,0,0|2,0,0]=4 4151 B15R2.4846 COc1cc2c(cccc2cn1)S[13CH3] 62a_100010126886_200025704644 [0,2,0,0,0,0|2,0,0]=4 4152 B15R2.4846 COc1cc2c(cccc2cn1)S[13CH3] 62a_200025704644_100010126886 [0,2,0,0,0,0|2,0,0]=4 4153 B15R2.4846 COc1ccc2cccc(c2c1)C#N 34a_100009864607_200000210301 [0,2,0,0,0,0|1,0,0]=3 4154 B15R2.4846 COc1ccc2cccc(c2c1)C#N 7a_100009864607_200000210301 [0,2,0,0,0,0|1,0,0]=3 4155 B15R2.4846 COc1ccc2cccc(c2c1)N[13CH3] 34a_100000087654_200025704644 [0,2,0,0,0,0|1,0,0]=3 4156 B15R2.4846 COc1ccc2cccc(c2c1)OC 34a_100000040783_200000210301 [0,2,0,0,0,0|1,0,0]=3 4157 B15R2.4846 COc1ccc2cccc(c2c1)OC 7a_100000040783_200000210301 [0,2,0,0,0,0|1,0,0]=3 4158 B15R2.4846 COc1ccc2cccc(c2c1)O[13CH3] 34a_100000040783_200025704644 [0,2,0,0,0,0|1,0,0]=3 4159 B15R2.4846 COc1ccc2cccc(c2c1)O[13CH3] 7a_100000040783_200025704644 [0,2,0,0,0,0|1,0,0]=3 4160 B15R2.4846 COc1ccc2cccc(c2c1)SC 62a_200000210301_100010178974 [0,2,0,0,0,0|1,0,0]=3 4161 B15R2.4846 COc1ccc2cccc(c2c1)S[13CH3] 62a_200025704644_100010178974 [0,2,0,0,0,0|1,0,0]=3 4162 B15R2.4846 COc1ccc2ccnc(c2c1)SC 62a_200000210301_100012348807 [0,2,0,0,0,0|2,0,0]=4 4163 B15R2.4846 COc1ccc2ccnc(c2c1)S[13CH3] 62a_200025704644_100012348807 [0,2,0,0,0,0|2,0,0]=4 4164 B15R2.4846 COc1ccc2nccc(c2c1)OC 34a_100000005308_200000210301 [0,2,0,0,0,0|0,0,0]=2 4165 B15R2.4846 COc1ccc2nccc(c2c1)O[13CH3] 34a_100000005308_200025704644 [0,2,0,0,0,0|0,0,0]=2 4166 B15R2.4846 COc1ccc2nccc(c2c1)SC 62a_200000210301_100011310462 [0,2,0,0,0,0|0,0,0]=2 4167 B15R2.4846 COc1ccc2nccc(c2c1)S[13CH3] 62a_200025704644_100011310462 [0,2,0,0,0,0|0,0,0]=2 4168 B15R2.4846 COc1ccc2nccc(c2n1)SC 62a_100010199756_200000210301 [0,2,0,0,0,0|1,0,0]=3 4169 B15R2.4846 COc1ccc2nccc(c2n1)SC 62a_200000210301_100000090520 [0,2,0,0,0,0|1,0,0]=3 4170 B15R2.4846 COc1ccc2nccc(c2n1)S[13CH3] 62a_100010199756_200025704644 [0,2,0,0,0,0|1,0,0]=3 4171 B15R2.4846 COc1ccc2nccc(c2n1)S[13CH3] 62a_200025704644_100000090520 [0,2,0,0,0,0|1,0,0]=3 4172 B15R2.4846 COc1ccc2ncnc(c2c1)SC 62a_200000210301_100011804145 [0,2,0,0,0,0|1,0,0]=3 4173 B15R2.4846 COc1ccc2ncnc(c2c1)S[13CH3] 62a_200025704644_100011804145 [0,2,0,0,0,0|1,0,0]=3 4174 B15R2.4846 COc1ccnc2c1cc(cc2)SC 62a_200000210301_100009816692 [0,2,0,0,0,0|0,1,0]=3 4175 B15R2.4846 COc1ccnc2c1cc(cc2)S[13CH3] 62a_200025704644_100009816692 [0,2,0,0,0,0|0,1,0]=3 4176 B15R2.4846 COc1cnc2cccc(c2c1)N[13CH3] 34a_202127653878_200025704644 [0,2,0,0,0,0|2,0,0]=4 4177 B15R2.4846 COc1ncnc2c1cc(cc2)SC 62a_200000210301_200009811869 [0,2,0,0,0,0|1,1,0]=4 4178 B15R2.4846 COc1ncnc2c1cc(cc2)SC 62a_200009811869_200000210301 [0,2,0,0,0,0|1,1,0]=4 4179 B15R2.4846 COc1ncnc2c1cc(cc2)S[13CH3] 62a_200009811869_200025704644 [0,2,0,0,0,0|1,1,0]=4 4180 B15R2.4846 COc1ncnc2c1cc(cc2)S[13CH3] 62a_200025704644_200009811869 [0,2,0,0,0,0|1,1,0]=4 4181 B15R2.4846 CSc1ccc2nccc(c2c1)C=O 62a_100010176920_200000210301 [0,2,0,0,0,0|0,1,0]=3 4182 B15R2.4846 CSc1ccc2nccc(c2c1)C=O 62a_200000210301_100010176920 [0,2,0,0,0,0|0,1,0]=3 4183 B15R2.4846 CSc1ccnc2c1cc(cc2)C#N 62a_200000210301_100010204249 [0,2,0,0,0,0|2,0,0]=4 4184 B15R2.4846 [13CH3]Oc1ccc2cccc(c2c1)C#N 34a_100009864607_200025704644 [0,2,0,0,0,0|1,0,0]=3 4185 B15R2.4846 [13CH3]Oc1ccc2cccc(c2c1)C#N 7a_100009864607_200025704644 [0,2,0,0,0,0|1,0,0]=3 4186 B15R2.4846 [13CH3]Sc1ccc2nccc(c2c1)C=O 62a_100010176920_200025704644 [0,2,0,0,0,0|0,1,0]=3 4187 B15R2.4846 [13CH3]Sc1ccc2nccc(c2c1)C=O 62a_200025704644_100010176920 [0,2,0,0,0,0|0,1,0]=3 4188 B15R2.4846 [13CH3]Sc1ccnc2c1cc(cc2)C#N 62a_200025704644_100010204249 [0,2,0,0,0,0|2,0,0]=4 4189 B15R2.21329 C=Cc1ccc2nc(cc(c2c1)N)C 271570a_100011290941_100000238323 [0,2,0,0,0,0|1,0,1]=4 4190 B15R2.21329 COc1ccc2[nH]c(=O)oc(=O)c2c1 7a_100000066353_200000210301 [0,2,0,0,0,0|1,0,1]=4 4191 B15R2.21329 COc1ccc2cc(cc(c2c1)F)Br 34a_100010201084_200000210301 [0,2,0,0,0,0|1,0,0]=3 4192 B15R2.21329 COc1ccc2cc(cc(c2c1)F)Br 7a_100010201084_200000210301 [0,2,0,0,0,0|1,0,0]=3 4193 B15R2.21329 COc1ccc2nc(cc(c2c1)C)O 271570a_203496583355_100000028501 [0,2,0,0,0,0|0,0,0]=2 4194 B15R2.21329 COc1ccc2nc(cc(c2c1)O)C 271570a_203496583355_100000754979 [0,2,0,0,0,0|0,0,0]=2 4195 B15R2.21329 COc1ccc2nc(nc(c2c1)N)O 271570a_203496583355_200010231781 [0,2,0,0,0,0|1,0,0]=3 4196 B15R2.21329 COc1ccc2nc(nc(c2c1)O)C 271570a_203496583355_100000691612 [0,2,0,0,0,0|1,0,0]=3 4197 B15R2.21329 COc1ccc2nc(nc(c2c1)O)O 271570a_203496583355_100012360530 [0,2,0,0,0,0|1,0,0]=3 4198 B15R2.21329 COc1ccc2oc(=O)cc(c2c1)C 34a_100000034621_200000210301 [0,2,0,0,0,0|1,0,0]=3 4199 B15R2.21329 COc1ccc2oc(=O)cc(c2c1)C 7a_100000034621_200000210301 [0,2,0,0,0,0|1,0,0]=3 4200 B15R2.21329 CSc1ccc2[nH]c(=O)cc(c2c1)C 62a_200000210301_100009820897 [0,2,0,0,0,0|0,1,1]=4 4201 B15R2.21329 CSc1ccc2[nH]c(=O)cc(c2c1)O 62a_200000210301_100000695641 [0,2,0,0,0,0|0,1,1]=4 4202 B15R2.21329 CSc1ccc2[nH]c(cc(=O)c2c1)C 62a_200000210301_100011333642 [0,2,0,0,0,0|0,1,1]=4 4203 B15R2.21329 CSc1ccc2nc(cc(c2c1)N)C 62a_100000238323_200000210301 [0,2,0,0,0,0|0,1,0]=3 4204 B15R2.21329 CSc1ccc2nc(nc(c2c1)Cl)Cl 62a_200000210301_100012354793 [0,2,0,0,0,0|1,1,0]=4 4205 B15R2.21329 CSc1ccc2nc(oc(=O)c2c1)C 62a_200000210301_200009814615 [0,2,0,0,0,0|1,1,0]=4 4206 B15R2.21329 Cc1cc(=O)[nH]c2c1cc(cc2)S[13CH3] 62a_200025704644_100009820897 [0,2,0,0,0,0|0,1,1]=4 4207 B15R2.21329 Cc1cc(=O)c2cc(ccc2[nH]1)S[13CH3] 62a_200025704644_100011333642 [0,2,0,0,0,0|0,1,1]=4 4208 B15R2.21329 Cc1cc(=O)oc2c1cc(cc2)O[13CH3] 34a_100000034621_200025704644 [0,2,0,0,0,0|1,0,0]=3 4209 B15R2.21329 Cc1cc(=O)oc2c1cc(cc2)O[13CH3] 7a_100000034621_200025704644 [0,2,0,0,0,0|1,0,0]=3 4210 B15R2.21329 Cc1cc(c2cc(ccc2n1)S[13CH3])N 62a_100000238323_200025704644 [0,2,0,0,0,0|0,1,0]=3 4211 B15R2.21329 Cc1nc2ccc(cc2c(=O)o1)S[13CH3] 62a_200025704644_200009814615 [0,2,0,0,0,0|1,1,0]=4 4212 B15R2.21329 [13CH3]Oc1ccc2[nH]c(=O)oc(=O)c2c1 7a_100000066353_200025704644 [0,2,0,0,0,0|1,0,1]=4 4213 B15R2.21329 [13CH3]Oc1ccc2cc(cc(c2c1)F)Br 34a_100010201084_200025704644 [0,2,0,0,0,0|1,0,0]=3 4214 B15R2.21329 [13CH3]Oc1ccc2cc(cc(c2c1)F)Br 7a_100010201084_200025704644 [0,2,0,0,0,0|1,0,0]=3 4215 B15R2.21329 [13CH3]Sc1ccc2[nH]c(=O)cc(c2c1)O 62a_200025704644_100000695641 [0,2,0,0,0,0|0,1,1]=4 4216 B15R2.21329 [13CH3]Sc1ccc2nc(nc(c2c1)Cl)Cl 62a_200025704644_100012354793 [0,2,0,0,0,0|1,1,0]=4 4217 B15R2.61353 C=C(C)c1ccc2[nH]ccc(=O)c2c1 271570a_100000694244_100000746092 [0,2,0,0,0,0|1,0,1]=4 4218 B15R2.61353 C=C(C)c1ccc2cccc(c2c1)C 271570a_100000694244_100010089936 [0,2,0,0,0,0|2,0,0]=4 4219 B15R2.61353 C=C(C)c1ccc2cccc(c2c1)N 271570a_100000694244_100010090012 [0,2,0,0,0,0|2,0,0]=4 4220 B15R2.61353 C=C(C)c1ccc2cccc(c2c1)O 271570a_100000694244_100010089991 [0,2,0,0,0,0|2,0,0]=4 4221 B15R2.61353 C=C(C)c1ccc2nc[nH]c(=O)c2c1 271570a_100000694244_100000755678 [0,2,0,0,0,0|2,0,0]=4 4222 B15R2.61353 C=C(C)c1ccc2nccc(=O)n2c1 271570a_100000694244_100010178973 [0,2,0,0,0,0|2,0,0]=4 4223 B15R2.61353 C=C(C)c1ccc2nccc(c2c1)C 271570a_100000694244_100009817033 [0,2,0,0,0,0|1,0,0]=3 4224 B15R2.61353 C=C(C)c1ccc2nccc(c2c1)Cl 271570a_100000694244_100011310491 [0,2,0,0,0,0|1,0,0]=3 4225 B15R2.61353 C=C(C)c1ccc2nccc(c2c1)N 271570a_100000694244_100011620571 [0,2,0,0,0,0|1,0,0]=3 4226 B15R2.61353 C=C(C)c1ccc2ncnc(c2c1)C 271570a_100000694244_100000700471 [0,2,0,0,0,0|2,0,0]=4 4227 B15R2.61353 C=C(C)c1ccc2ncnc(c2c1)Cl 271570a_100000694244_100000757566 [0,2,0,0,0,0|2,0,0]=4 4228 B15R2.61353 C=C(C)c1ccc2ncnc(c2c1)N 271570a_100000694244_100011390335 [0,2,0,0,0,0|2,0,0]=4 4229 B15R2.61353 C=C(C)c1ccc2nncc(c2c1)O 271570a_100000694244_100010074700 [0,2,0,0,0,0|2,0,0]=4 4230 B15R2.61353 C=C(C)c1ccc2occc(=O)c2c1 271570a_100000694244_100009813387 [0,2,0,0,0,0|2,0,0]=4 4231 B15R2.61353 CC(=O)c1ccc2[nH]ccc(=O)c2c1 1458a_200009839989_200000210301 [0,2,0,0,0,0|1,0,1]=4 4232 B15R2.61353 CC(=O)c1ccc2nccc(c2c1)Br 1458a_200010240029_200000210301 [0,2,0,0,0,0|1,0,0]=3 4233 B15R2.61353 Cc1ncnc2c1cc(cc2)N(C)C 27a_100102631434_100000700471 [0,2,0,0,0,0|2,0,0]=4 4234 B15R2.61353 [13CH3]C(=O)c1ccc2[nH]ccc(=O)c2c1 1458a_200009839989_200025704644 [0,2,0,0,0,0|1,0,1]=4 4235 B15R2.61353 [13CH3]C(=O)c1ccc2nccc(c2c1)Br 1458a_200010240029_200025704644 [0,2,0,0,0,0|1,0,0]=3 4236 B15R2.984 C=C(C)c1cc2ccccc2cc1Br 271570a_100000694244_200010169544 [0,2,0,0,0,0|2,0,0]=4 4237 B15R2.984 C=C(C)c1cc2ccccc2cc1Cl 271570a_100000694244_100010152806 [0,2,0,0,0,0|2,0,0]=4 4238 B15R2.984 C=C(C)c1cc2ccccc2cc1N 271570a_100000694244_100009991566 [0,2,0,0,0,0|2,0,0]=4 4239 B15R2.984 C=C(C)c1cc2ccccc2cc1O 271570a_100000694244_100009817189 [0,2,0,0,0,0|2,0,0]=4 4240 B15R2.984 C=C(C)c1cc2cccnc2cc1C 271570a_100000694244_100010137429 [0,2,0,0,0,0|1,0,0]=3 4241 B15R2.984 C=C(C)c1cc2cccnc2cc1F 271570a_100000694244_100009854028 [0,2,0,0,0,0|1,0,0]=3 4242 B15R2.984 C=C(C)c1cc2nccnc2cc1C 271570a_100000694244_100010080479 [0,2,0,0,0,0|2,0,0]=4 4243 B15R2.984 C=C(C)c1cc2nccnc2cc1F 271570a_100000694244_100010080477 [0,2,0,0,0,0|2,0,0]=4 4244 B15R2.984 CC(=O)c1cc2ccccc2cc1Cl 1458a_100010003416_200000210301 [0,2,0,0,0,0|2,0,0]=4 4245 B15R2.984 CC(=O)c1cc2ccccc2cc1O 1458a_100000212107_200000210301 [0,2,0,0,0,0|2,0,0]=4 4246 B15R2.984 CN(C)c1cc2nccnc2cc1F 27a_100102631434_100010080477 [0,2,0,0,0,0|2,0,0]=4 4247 B15R2.984 Cc1cc2nccnc2cc1N(C)C 27a_100102631434_100010080479 [0,2,0,0,0,0|2,0,0]=4 4248 B15R2.984 [13CH3]C(=O)c1cc2ccccc2cc1Cl 1458a_100010003416_200025704644 [0,2,0,0,0,0|2,0,0]=4 4249 B15R2.984 [13CH3]C(=O)c1cc2ccccc2cc1O 1458a_100000212107_200025704644 [0,2,0,0,0,0|2,0,0]=4 4250 B15R2.7180 C=C(C)c1ccc2[nH]c(=O)ccc2c1 271570a_100000694244_100011934725 [0,2,0,0,0,0|1,0,1]=4 4251 B15R2.7180 C=C(C)c1ccc2cc(ccc2c1)Br 271570a_100000694244_100012344972 [0,2,0,0,0,0|2,0,0]=4 4252 B15R2.7180 C=C(C)c1ccc2cc(ccc2c1)F 271570a_100000694244_100009817052 [0,2,0,0,0,0|2,0,0]=4 4253 B15R2.7180 C=C(C)c1ccc2cc(ccc2c1)N 271570a_100000694244_100000185457 [0,2,0,0,0,0|2,0,0]=4 4254 B15R2.7180 C=C(C)c1ccc2cc(ccc2c1)O 271570a_100000694244_100000185455 [0,2,0,0,0,0|2,0,0]=4 4255 B15R2.7180 C=C(C)c1ccc2nc(ccc2c1)C 271570a_100000694244_100000686635 [0,2,0,0,0,0|1,0,0]=3 4256 B15R2.7180 C=C(C)c1ccc2nc(ccc2c1)Cl 271570a_100000694244_200012034268 [0,2,0,0,0,0|1,0,0]=3 4257 B15R2.7180 C=C(C)c1ccc2nc(ccc2c1)N 271570a_100000694244_100011934619 [0,2,0,0,0,0|1,0,0]=3 4258 B15R2.7180 C=C(C)c1ccc2nc(ccc2n1)C 271570a_100000694244_200009884078 [0,2,0,0,0,0|2,0,0]=4 4259 B15R2.7180 C=C(C)c1ccc2nc(ncc2c1)N 271570a_100000694244_100010138702 [0,2,0,0,0,0|2,0,0]=4 4260 B15R2.7180 C=C(C)c1ccc2oc(=O)ccc2c1 271570a_100000694244_100009999946 [0,2,0,0,0,0|2,0,0]=4 4261 B15R2.7180 C=C(C)c1cnc2nc(ccc2c1)N 271570a_100000694244_100010214896 [0,2,0,0,0,0|2,0,0]=4 4262 B15R2.7180 C=C(C)c1cnc2nc(ccc2c1)O 271570a_100000694244_100009814606 [0,2,0,0,0,0|2,0,0]=4 4263 B15R2.7180 CC(=O)c1ccc2cc(ccc2c1)Br 1458a_100000759775_200000210301 [0,2,0,0,0,0|2,0,0]=4 4264 B15R2.7180 CC(=O)c1ccc2cc(ccc2c1)Cl 1458a_200010245464_200000210301 [0,2,0,0,0,0|2,0,0]=4 4265 B15R2.7180 CC(=O)c1ccc2cc(ccc2c1)F 1458a_200000042716_200000210301 [0,2,0,0,0,0|2,0,0]=4 4266 B15R2.7180 CC(=O)c1ccc2cc(ccc2c1)O 271570a_203496583355_100012339427 [0,2,0,0,0,0|2,0,0]=4 4267 B15R2.7180 CC(=O)c1ccc2nc(ccc2c1)C 1458a_100000691375_200000210301 [0,2,0,0,0,0|1,0,0]=3 4268 B15R2.7180 CC(=O)c1ccc2nc(ccc2c1)Cl 1458a_100000740145_200000210301 [0,2,0,0,0,0|1,0,0]=3 4269 B15R2.7180 CC(=O)c1ccc2nc(ccc2c1)O 1458a_100015838258_200000210301 [0,2,0,0,0,0|1,0,0]=3 4270 B15R2.7180 CC(=O)c1ccc2oc(=O)ccc2c1 1458a_200000082590_200000210301 [0,2,0,0,0,0|2,0,0]=4 4271 B15R2.7180 Cc1ccc2cc(ccc2n1)C(=O)[13CH3] 1458a_100000691375_200025704644 [0,2,0,0,0,0|1,0,0]=3 4272 B15R2.7180 Cc1ccc2nc(ccc2n1)N(C)C 27a_100102631434_200009884078 [0,2,0,0,0,0|2,0,0]=4 4273 B15R2.7180 [13CH3]C(=O)c1ccc2cc(ccc2c1)Br 1458a_100000759775_200025704644 [0,2,0,0,0,0|2,0,0]=4 4274 B15R2.7180 [13CH3]C(=O)c1ccc2cc(ccc2c1)Cl 1458a_200010245464_200025704644 [0,2,0,0,0,0|2,0,0]=4 4275 B15R2.7180 [13CH3]C(=O)c1ccc2cc(ccc2c1)F 1458a_200000042716_200025704644 [0,2,0,0,0,0|2,0,0]=4 4276 B15R2.7180 [13CH3]C(=O)c1ccc2nc(ccc2c1)Cl 1458a_100000740145_200025704644 [0,2,0,0,0,0|1,0,0]=3 4277 B15R2.7180 [13CH3]C(=O)c1ccc2nc(ccc2c1)O 1458a_100015838258_200025704644 [0,2,0,0,0,0|1,0,0]=3 4278 B15R2.7180 [13CH3]C(=O)c1ccc2oc(=O)ccc2c1 1458a_200000082590_200025704644 [0,2,0,0,0,0|2,0,0]=4 4279 B15R2.13598 C=C(C)c1ccc2c(cccc2c1)N 271570a_100000694244_100010090037 [0,2,0,0,0,0|2,0,0]=4 4280 B15R2.13598 C=C(C)c1ccc2c(cccc2c1)O 271570a_100000694244_100010202202 [0,2,0,0,0,0|2,0,0]=4 4281 B15R2.13598 CC(=O)c1ccc2c(cccc2c1)Br 1458a_100000691321_200000210301 [0,2,0,0,0,0|2,0,0]=4 4282 B15R2.13598 CC(=O)c1ccc2c(cccc2c1)Cl 1458a_100010089951_200000210301 [0,2,0,0,0,0|2,0,0]=4 4283 B15R2.13598 [13CH3]C(=O)c1ccc2c(cccc2c1)Br 1458a_100000691321_200025704644 [0,2,0,0,0,0|2,0,0]=4 4284 B15R2.13598 [13CH3]C(=O)c1ccc2c(cccc2c1)Cl 1458a_100010089951_200025704644 [0,2,0,0,0,0|2,0,0]=4 4285 B15R2.14951 C=C(C)c1cc(c2ccccc2c1)N 271570a_100000694244_100010171453 [0,2,0,0,0,0|2,0,0]=4 4286 B15R2.14951 C=C(C)c1cc(c2ccccc2c1)O 271570a_100000694244_100010089979 [0,2,0,0,0,0|2,0,0]=4 4287 B15R2.14951 C=C(C)c1cc(c2ncccc2c1)C 271570a_100000694244_100010130319 [0,2,0,0,0,0|1,0,0]=3 4288 B15R2.14951 C=C(C)c1cc(c2ncccc2c1)Cl 271570a_100000694244_200010369337 [0,2,0,0,0,0|1,0,0]=3 4289 B15R2.14951 C=C(C)c1cc(c2ncccc2c1)F 271570a_100000694244_100010234705 [0,2,0,0,0,0|1,0,0]=3 4290 B15R2.14951 C=C(C)c1cc(c2ncccc2c1)N 271570a_100000694244_100009814519 [0,2,0,0,0,0|1,0,0]=3 4291 B15R2.14951 C=C(C)c1cc(c2ncccc2c1)O 271570a_100000694244_100010248853 [0,2,0,0,0,0|1,0,0]=3 4292 B15R2.14951 C=C(C)c1cc(c2nccnc2c1)C 271570a_100000694244_100010080486 [0,2,0,0,0,0|2,0,0]=4 4293 B15R2.14951 C=C(C)c1cc(c2nccnc2c1)F 271570a_100000694244_100010079260 [0,2,0,0,0,0|2,0,0]=4 4294 B15R2.14951 CC(=O)c1cc(c2ncccc2c1)O 1458a_200009880037_200000210301 [0,2,0,0,0,0|1,0,0]=3 4295 B15R2.14951 CC(=O)c1cc(c2nccnc2c1)Br 1458a_100010367197_200000210301 [0,2,0,0,0,0|2,0,0]=4 4296 B15R2.14951 CN(C)c1cc(c2nccnc2c1)F 27a_100102631434_100010079260 [0,2,0,0,0,0|2,0,0]=4 4297 B15R2.14951 Cc1cc(cc2c1nccn2)N(C)C 27a_100102631434_100010080486 [0,2,0,0,0,0|2,0,0]=4 4298 B15R2.14951 [13CH3]C(=O)c1cc(c2ncccc2c1)O 1458a_200009880037_200025704644 [0,2,0,0,0,0|1,0,0]=3 4299 B15R2.14951 [13CH3]C(=O)c1cc(c2nccnc2c1)Br 1458a_100010367197_200025704644 [0,2,0,0,0,0|2,0,0]=4 4300 B15R2.1851 C=Cc1cc(c2ncccc2c1)OC 271570a_100011290941_100010248852 [0,2,0,0,0,0|1,0,1]=4 4301 B15R2.1851 C=Cc1cc(cc2c1cccc2)OC 271570a_100011290941_100010152498 [0,2,0,0,0,0|1,0,0]=3 4302 B15R2.1851 C=Cc1cc(cc2c1cccn2)OC 271570a_100011290941_100010248855 [0,2,0,0,0,0|2,0,0]=4 4303 B15R2.1851 C=Cc1cc(cc2c1nccc2)OC 271570a_100011290941_200010235761 [0,2,0,0,0,0|0,0,0]=2 4304 B15R2.1851 C=Cc1cc(nc2c1cccc2)OC 271570a_100011290941_100009887561 [0,2,0,0,0,0|2,0,0]=4 4305 B15R2.1851 CNc1cc(cc2c1cccn2)OC 27a_100102657272_100010248855 [0,2,0,0,0,0|2,0,0]=4 4306 B15R2.1851 CNc1cc(cc2c1nccc2)OC 34a_100000014381_200000210301 [0,2,0,0,0,0|0,0,0]=2 4307 B15R2.1851 COc1cc(c2ccccc2c1)OC 34a_200000076035_200000210301 [0,2,0,0,0,0|1,0,0]=3 4308 B15R2.1851 COc1cc(c2ccccc2c1)OC 7a_200000076035_200000210301 [0,2,0,0,0,0|1,0,0]=3 4309 B15R2.1851 COc1cc(c2ccccc2c1)O[13CH3] 34a_200000076035_200025704644 [0,2,0,0,0,0|1,0,0]=3 4310 B15R2.1851 COc1cc(c2ccccc2c1)O[13CH3] 7a_200000076035_200025704644 [0,2,0,0,0,0|1,0,0]=3 4311 B15R2.1851 COc1cc(c2ccccc2c1)SC 62a_200000210301_100010152498 [0,2,0,0,0,0|1,0,0]=3 4312 B15R2.1851 COc1cc(c2ccccc2c1)S[13CH3] 62a_200025704644_100010152498 [0,2,0,0,0,0|1,0,0]=3 4313 B15R2.1851 COc1cc(c2cccnc2c1)SC 62a_100010248855_200000210301 [0,2,0,0,0,0|2,0,0]=4 4314 B15R2.1851 COc1cc(c2cccnc2c1)SC 62a_200000210301_100010248855 [0,2,0,0,0,0|2,0,0]=4 4315 B15R2.1851 COc1cc(c2cccnc2c1)S[13CH3] 62a_100010248855_200025704644 [0,2,0,0,0,0|2,0,0]=4 4316 B15R2.1851 COc1cc(c2cccnc2c1)S[13CH3] 62a_200025704644_100010248855 [0,2,0,0,0,0|2,0,0]=4 4317 B15R2.1851 COc1cc(c2ncccc2c1)N[13CH3] 34a_100000014381_200025704644 [0,2,0,0,0,0|0,0,0]=2 4318 B15R2.1851 COc1cc(c2ncccc2c1)SC 62a_200000210301_200010235761 [0,2,0,0,0,0|0,0,0]=2 4319 B15R2.1851 COc1cc(c2ncccc2c1)S[13CH3] 62a_200025704644_200010235761 [0,2,0,0,0,0|0,0,0]=2 4320 B15R2.1851 COc1cc(cc2c1nccc2)SC 62a_200000210301_100010248852 [0,2,0,0,0,0|0,1,0]=3 4321 B15R2.1851 COc1cc(cc2c1nccc2)S[13CH3] 62a_200025704644_100010248852 [0,2,0,0,0,0|0,1,0]=3 4322 B15R2.2713 CSc1cc(c2[nH]c(=O)ccc2c1)F 62a_200000210301_100012034177 [0,2,0,0,0,0|0,1,1]=4 4323 B15R2.2713 CSc1cc(c2cc(ccc2c1)O)F 62a_100010201084_200000210301 [0,2,0,0,0,0|1,1,0]=4 4324 B15R2.2713 CSc1cc(c2cc(ccc2c1)O)F 62a_200000210301_100010201084 [0,2,0,0,0,0|1,1,0]=4 4325 B15R2.2713 [13CH3]Sc1cc(c2[nH]c(=O)ccc2c1)F 62a_200025704644_100012034177 [0,2,0,0,0,0|0,1,1]=4 4326 B15R2.2713 [13CH3]Sc1cc(c2cc(ccc2c1)O)F 62a_100010201084_200025704644 [0,2,0,0,0,0|1,1,0]=4 4327 B15R2.2713 [13CH3]Sc1cc(c2cc(ccc2c1)O)F 62a_200025704644_100010201084 [0,2,0,0,0,0|1,1,0]=4 4328 B15R2.83901 COc1cc(c2c(cccc2c1)Cl)Br 34a_103552013942_200000210301 [0,2,0,0,0,0|1,0,0]=3 4329 B15R2.83901 COc1cc(c2c(cccc2c1)Cl)Br 7a_103552013942_200000210301 [0,2,0,0,0,0|1,0,0]=3 4330 B15R2.83901 [13CH3]Oc1cc(c2c(cccc2c1)Cl)Br 34a_103552013942_200025704644 [0,2,0,0,0,0|1,0,0]=3 4331 B15R2.83901 [13CH3]Oc1cc(c2c(cccc2c1)Cl)Br 7a_103552013942_200025704644 [0,2,0,0,0,0|1,0,0]=3 4332 B15R2.117 C=Cc1cc2ccccc2cc1OC 271570a_100011290941_100009817100 [0,2,0,0,0,0|1,0,0]=3 4333 B15R2.117 C=Cc1cc2ccccc2nc1OC 271570a_100011290941_100009820890 [0,2,0,0,0,0|2,0,0]=4 4334 B15R2.117 C=Cc1cc2cccnc2cc1OC 271570a_100011290941_100020706834 [0,2,0,0,0,0|1,0,1]=4 4335 B15R2.117 C=Cc1cc2cnccc2cc1OC 271570a_100011290941_100010990640 [0,2,0,0,0,0|2,0,0]=4 4336 B15R2.117 C=Cc1cc2ncccc2cc1OC 271570a_100011290941_100011093944 [0,2,0,0,0,0|0,0,0]=2 4337 B15R2.117 COc1cc2ccccc2cc1C#N 34a_100009851763_200000210301 [0,2,0,0,0,0|1,0,0]=3 4338 B15R2.117 COc1cc2ccccc2cc1C#N 7a_100009851763_200000210301 [0,2,0,0,0,0|1,0,0]=3 4339 B15R2.117 COc1cc2ccccc2cc1OC 34a_200011203880_200000210301 [0,2,0,0,0,0|1,0,0]=3 4340 B15R2.117 COc1cc2ccccc2cc1OC 7a_200011203880_200000210301 [0,2,0,0,0,0|1,0,0]=3 4341 B15R2.117 COc1cc2ccccc2cc1O[13CH3] 34a_200011203880_200025704644 [0,2,0,0,0,0|1,0,0]=3 4342 B15R2.117 COc1cc2ccccc2cc1O[13CH3] 7a_200011203880_200025704644 [0,2,0,0,0,0|1,0,0]=3 4343 B15R2.117 COc1cc2ccccc2cc1SC 62a_100009817100_200000210301 [0,2,0,0,0,0|1,0,0]=3 4344 B15R2.117 COc1cc2ccccc2cc1SC 62a_200000210301_100009817100 [0,2,0,0,0,0|1,0,0]=3 4345 B15R2.117 COc1cc2ccccc2cc1S[13CH3] 62a_100009817100_200025704644 [0,2,0,0,0,0|1,0,0]=3 4346 B15R2.117 COc1cc2ccccc2cc1S[13CH3] 62a_200025704644_100009817100 [0,2,0,0,0,0|1,0,0]=3 4347 B15R2.117 COc1cc2cccnc2cc1SC 62a_100011093944_200000210301 [0,2,0,0,0,0|0,0,0]=2 4348 B15R2.117 COc1cc2cccnc2cc1SC 62a_200000210301_100011093944 [0,2,0,0,0,0|0,0,0]=2 4349 B15R2.117 COc1cc2cccnc2cc1S[13CH3] 62a_100011093944_200025704644 [0,2,0,0,0,0|0,0,0]=2 4350 B15R2.117 COc1cc2cccnc2cc1S[13CH3] 62a_200025704644_100011093944 [0,2,0,0,0,0|0,0,0]=2 4351 B15R2.117 COc1cc2ccncc2cc1SC 62a_100010990640_200000210301 [0,2,0,0,0,0|2,0,0]=4 4352 B15R2.117 COc1cc2ccncc2cc1SC 62a_200000210301_100010990640 [0,2,0,0,0,0|2,0,0]=4 4353 B15R2.117 COc1cc2ccncc2cc1S[13CH3] 62a_100010990640_200025704644 [0,2,0,0,0,0|2,0,0]=4 4354 B15R2.117 COc1cc2ccncc2cc1S[13CH3] 62a_200025704644_100010990640 [0,2,0,0,0,0|2,0,0]=4 4355 B15R2.117 COc1cc2ncccc2cc1SC 62a_100020706834_200000210301 [0,2,0,0,0,0|0,1,0]=3 4356 B15R2.117 COc1cc2ncccc2cc1SC 62a_200000210301_100020706834 [0,2,0,0,0,0|0,1,0]=3 4357 B15R2.117 COc1cc2ncccc2cc1S[13CH3] 62a_100020706834_200025704644 [0,2,0,0,0,0|0,1,0]=3 4358 B15R2.117 COc1cc2ncccc2cc1S[13CH3] 62a_200025704644_100020706834 [0,2,0,0,0,0|0,1,0]=3 4359 B15R2.117 COc1nc2ccccc2cc1SC 62a_100009820890_200000210301 [0,2,0,0,0,0|2,0,0]=4 4360 B15R2.117 COc1nc2ccccc2cc1SC 62a_200000210301_100009820890 [0,2,0,0,0,0|2,0,0]=4 4361 B15R2.117 COc1nc2ccccc2cc1S[13CH3] 62a_100009820890_200025704644 [0,2,0,0,0,0|2,0,0]=4 4362 B15R2.117 COc1nc2ccccc2cc1S[13CH3] 62a_200025704644_100009820890 [0,2,0,0,0,0|2,0,0]=4 4363 B15R2.117 [13CH3]Oc1cc2ccccc2cc1C#N 34a_100009851763_200025704644 [0,2,0,0,0,0|1,0,0]=3 4364 B15R2.117 [13CH3]Oc1cc2ccccc2cc1C#N 7a_100009851763_200025704644 [0,2,0,0,0,0|1,0,0]=3 4365 B15R2.1754 CSc1cc2ccc(cc2cc1O)O 62a_200000210301_100010179872 [0,2,0,0,0,0|1,1,0]=4 4366 B15R2.1754 [13CH3]Sc1cc2ccc(cc2cc1O)O 62a_200025704644_100010179872 [0,2,0,0,0,0|1,1,0]=4 4367 B15R2.2310 C=Cc1cccc2c1ccc(c2)OC 271570a_100011290941_100010151670 [0,2,0,0,0,0|1,0,0]=3 4368 B15R2.2310 C=Cc1ccnc2c1ccc(c2)OC 271570a_100011290941_100000045488 [0,2,0,0,0,0|2,0,0]=4 4369 B15R2.2310 C=Cc1nccc2c1ccc(c2)OC 271570a_100011290941_100000084302 [0,2,0,0,0,0|2,0,0]=4 4370 B15R2.2310 CNc1ccnc2c1ccc(c2)OC 27a_100102657272_100000045488 [0,2,0,0,0,0|2,0,0]=4 4371 B15R2.2310 CNc1nccc2c1ccc(c2)OC 27a_100102657272_100000084302 [0,2,0,0,0,0|2,0,0]=4 4372 B15R2.2310 COc1ccc2c(cccc2c1)OC 34a_100000080647_200000210301 [0,2,0,0,0,0|1,0,0]=3 4373 B15R2.2310 COc1ccc2c(cccc2c1)OC 7a_100000080647_200000210301 [0,2,0,0,0,0|1,0,0]=3 4374 B15R2.2310 COc1ccc2c(cccc2c1)O[13CH3] 34a_100000080647_200025704644 [0,2,0,0,0,0|1,0,0]=3 4375 B15R2.2310 COc1ccc2c(cccc2c1)O[13CH3] 7a_100000080647_200025704644 [0,2,0,0,0,0|1,0,0]=3 4376 B15R2.2310 COc1ccc2c(cccc2c1)SC 62a_200000210301_100010151670 [0,2,0,0,0,0|1,0,0]=3 4377 B15R2.2310 COc1ccc2c(cccc2c1)S[13CH3] 62a_200025704644_100010151670 [0,2,0,0,0,0|1,0,0]=3 4378 B15R2.2310 COc1ccc2c(ccnc2c1)SC 62a_200000210301_100000045488 [0,2,0,0,0,0|2,0,0]=4 4379 B15R2.2310 COc1ccc2c(ccnc2c1)S[13CH3] 62a_200025704644_100000045488 [0,2,0,0,0,0|2,0,0]=4 4380 B15R2.2310 COc1ccc2c(nccc2c1)OC 34a_100012180743_200000210301 [0,2,0,0,0,0|2,0,0]=4 4381 B15R2.2310 COc1ccc2c(nccc2c1)O[13CH3] 34a_100012180743_200025704644 [0,2,0,0,0,0|2,0,0]=4 4382 B15R2.2310 COc1ccc2c(nccc2c1)SC 62a_200000210301_100000084302 [0,2,0,0,0,0|2,0,0]=4 4383 B15R2.2310 COc1ccc2c(nccc2c1)S[13CH3] 62a_200025704644_100000084302 [0,2,0,0,0,0|2,0,0]=4 4384 B15R2.89401 COc1ccc2c(=O)c(coc2c1)O 271570a_203496583355_100010272328 [0,2,0,0,0,0|2,0,0]=4 4385 B15R2.89401 CSc1ccc2c(c(ccc2c1)O)F 62a_100010730138_200000210301 [0,2,0,0,0,0|1,1,0]=4 4386 B15R2.89401 CSc1ccc2c(c(ccc2c1)O)F 62a_200000210301_100010730138 [0,2,0,0,0,0|1,1,0]=4 4387 B15R2.89401 CSc1ccc2c(c1)C=CC(=O)C2=O 62a_100009812793_200000210301 [0,2,0,0,0,0|1,1,0]=4 4388 B15R2.89401 CSc1ccc2c(c1)C=CC(=O)C2=O 62a_200000210301_100009812793 [0,2,0,0,0,0|1,1,0]=4 4389 B15R2.89401 [13CH3]Sc1ccc2c(c(ccc2c1)O)F 62a_100010730138_200025704644 [0,2,0,0,0,0|1,1,0]=4 4390 B15R2.89401 [13CH3]Sc1ccc2c(c(ccc2c1)O)F 62a_200025704644_100010730138 [0,2,0,0,0,0|1,1,0]=4 4391 B15R2.89401 [13CH3]Sc1ccc2c(c1)C=CC(=O)C2=O 62a_100009812793_200025704644 [0,2,0,0,0,0|1,1,0]=4 4392 B15R2.89401 [13CH3]Sc1ccc2c(c1)C=CC(=O)C2=O 62a_200025704644_100009812793 [0,2,0,0,0,0|1,1,0]=4 4393 B15R2.4780 C=Cc1ccc2cc(ccc2c1)OC 271570a_100011290941_100000170439 [0,2,0,0,0,0|1,0,0]=3 4394 B15R2.4780 C=Cc1ccc2cc(ccc2c1)OC 34a_200010676335_200000210301 [0,2,0,0,0,0|1,0,0]=3 4395 B15R2.4780 C=Cc1ccc2cc(ccc2c1)OC 7a_200010676335_200000210301 [0,2,0,0,0,0|1,0,0]=3 4396 B15R2.4780 C=Cc1ccc2cc(ccc2c1)O[13CH3] 34a_200010676335_200025704644 [0,2,0,0,0,0|1,0,0]=3 4397 B15R2.4780 C=Cc1ccc2cc(ccc2c1)O[13CH3] 7a_200010676335_200025704644 [0,2,0,0,0,0|1,0,0]=3 4398 B15R2.4780 C=Cc1ccc2cc(ccc2n1)C#N 271570a_100011290941_100000091635 [0,2,0,0,0,0|2,0,0]=4 4399 B15R2.4780 C=Cc1ccc2cc(ccc2n1)C=O 271570a_100011290941_100000087602 [0,2,0,0,0,0|2,0,0]=4 4400 B15R2.4780 C=Cc1ccc2cc(ccc2n1)OC 271570a_100011290941_100000743015 [0,2,0,0,0,0|0,0,0]=2 4401 B15R2.4780 C=Cc1ccc2nc(ccc2c1)C#N 271570a_100011290941_200012353941 [0,2,0,0,0,0|1,0,1]=4 4402 B15R2.4780 C=Cc1ccc2nc(ccc2c1)NC 271570a_100011290941_200012034361 [0,2,0,0,0,0|1,0,1]=4 4403 B15R2.4780 C=Cc1ccc2nc(ccc2c1)OC 271570a_100011290941_100009817092 [0,2,0,0,0,0|1,0,1]=4 4404 B15R2.4780 C=Cc1cnc2cc(ccc2n1)OC 271570a_100011290941_100009843035 [0,2,0,0,0,0|1,0,0]=3 4405 B15R2.4780 CCc1ccc2cc(ccc2c1)OC 34a_200000085364_200000210301 [0,2,0,0,0,0|1,0,0]=3 4406 B15R2.4780 CCc1ccc2cc(ccc2c1)OC 7a_200000085364_200000210301 [0,2,0,0,0,0|1,0,0]=3 4407 B15R2.4780 CCc1ccc2cc(ccc2c1)O[13CH3] 34a_200000085364_200025704644 [0,2,0,0,0,0|1,0,0]=3 4408 B15R2.4780 CCc1ccc2cc(ccc2c1)O[13CH3] 7a_200000085364_200025704644 [0,2,0,0,0,0|1,0,0]=3 4409 B15R2.4780 CNc1ccc2cc(ccc2n1)C#N 27a_100102657272_100000091635 [0,2,0,0,0,0|2,0,0]=4 4410 B15R2.4780 CNc1ccc2cc(ccc2n1)OC 27a_100102657272_100000743015 [0,2,0,0,0,0|0,0,0]=2 4411 B15R2.4780 CNc1ccc2cc(ccc2n1)SC 62a_200012034361_200000210301 [0,2,0,0,0,0|0,1,0]=3 4412 B15R2.4780 CNc1ccc2cc(ccc2n1)S[13CH3] 62a_200012034361_200025704644 [0,2,0,0,0,0|0,1,0]=3 4413 B15R2.4780 CNc1cnc2cc(ccc2n1)OC 27a_100102657272_100009843035 [0,2,0,0,0,0|1,0,0]=3 4414 B15R2.4780 COc1ccc2cc(ccc2c1)C#N 34a_100000035450_200000210301 [0,2,0,0,0,0|1,0,0]=3 4415 B15R2.4780 COc1ccc2cc(ccc2c1)C#N 7a_100000035450_200000210301 [0,2,0,0,0,0|1,0,0]=3 4416 B15R2.4780 COc1ccc2cc(ccc2c1)CN 34a_200000083168_200000210301 [0,2,0,0,0,0|1,0,0]=3 4417 B15R2.4780 COc1ccc2cc(ccc2c1)OC 34a_100000039947_200000210301 [0,2,0,0,0,0|1,0,0]=3 4418 B15R2.4780 COc1ccc2cc(ccc2c1)OC 7a_100000039947_200000210301 [0,2,0,0,0,0|1,0,0]=3 4419 B15R2.4780 COc1ccc2cc(ccc2c1)O[13CH3] 34a_100000039947_200025704644 [0,2,0,0,0,0|1,0,0]=3 4420 B15R2.4780 COc1ccc2cc(ccc2c1)O[13CH3] 7a_100000039947_200025704644 [0,2,0,0,0,0|1,0,0]=3 4421 B15R2.4780 COc1ccc2cc(ccc2c1)SC 62a_200000210301_100000170439 [0,2,0,0,0,0|1,0,0]=3 4422 B15R2.4780 COc1ccc2cc(ccc2c1)S[13CH3] 62a_200025704644_100000170439 [0,2,0,0,0,0|1,0,0]=3 4423 B15R2.4780 COc1ccc2cc(ccc2n1)SC 62a_100009817092_200000210301 [0,2,0,0,0,0|0,1,0]=3 4424 B15R2.4780 COc1ccc2cc(ccc2n1)SC 62a_200000210301_100009817092 [0,2,0,0,0,0|0,1,0]=3 4425 B15R2.4780 COc1ccc2cc(ccc2n1)S[13CH3] 62a_100009817092_200025704644 [0,2,0,0,0,0|0,1,0]=3 4426 B15R2.4780 COc1ccc2cc(ccc2n1)S[13CH3] 62a_200025704644_100009817092 [0,2,0,0,0,0|0,1,0]=3 4427 B15R2.4780 COc1ccc2nc(ccc2c1)SC 62a_200000210301_100000743015 [0,2,0,0,0,0|0,0,0]=2 4428 B15R2.4780 COc1ccc2nc(ccc2c1)S[13CH3] 62a_200025704644_100000743015 [0,2,0,0,0,0|0,0,0]=2 4429 B15R2.4780 COc1ccc2nc(cnc2c1)SC 62a_200000210301_100009843035 [0,2,0,0,0,0|1,0,0]=3 4430 B15R2.4780 COc1ccc2nc(cnc2c1)S[13CH3] 62a_200025704644_100009843035 [0,2,0,0,0,0|1,0,0]=3 4431 B15R2.4780 CSc1ccc2cc(ccc2c1)C=O 62a_100012356508_200000210301 [0,2,0,0,0,0|1,1,0]=4 4432 B15R2.4780 CSc1ccc2cc(ccc2c1)C=O 62a_200000210301_100012356508 [0,2,0,0,0,0|1,1,0]=4 4433 B15R2.4780 CSc1ccc2cc(ccc2c1)CO 62a_100012356509_200000210301 [0,2,0,0,0,0|1,1,0]=4 4434 B15R2.4780 CSc1ccc2cc(ccc2c1)CO 62a_200000210301_100012356509 [0,2,0,0,0,0|1,1,0]=4 4435 B15R2.4780 CSc1ccc2cc(ccc2n1)C#N 62a_200000210301_100000091635 [0,2,0,0,0,0|2,0,0]=4 4436 B15R2.4780 CSc1ccc2cc(ccc2n1)C=O 62a_200000210301_100000087602 [0,2,0,0,0,0|2,0,0]=4 4437 B15R2.4780 CSc1ccc2nc(ccc2c1)C#N 62a_200000210301_200012353941 [0,2,0,0,0,0|0,1,0]=3 4438 B15R2.4780 CSc1ccc2nc(ncc2c1)SC 62a_100010240490_200000210301 [0,2,0,0,0,0|1,1,0]=4 4439 B15R2.4780 CSc1ccc2nc(ncc2c1)SC 62a_200000210301_100010240490 [0,2,0,0,0,0|1,1,0]=4 4440 B15R2.4780 CSc1ncc2cc(ccc2n1)S[13CH3] 62a_100010240490_200025704644 [0,2,0,0,0,0|1,1,0]=4 4441 B15R2.4780 CSc1ncc2cc(ccc2n1)S[13CH3] 62a_200025704644_100010240490 [0,2,0,0,0,0|1,1,0]=4 4442 B15R2.4780 [13CH3]Oc1ccc2cc(ccc2c1)C#N 34a_100000035450_200025704644 [0,2,0,0,0,0|1,0,0]=3 4443 B15R2.4780 [13CH3]Oc1ccc2cc(ccc2c1)C#N 7a_100000035450_200025704644 [0,2,0,0,0,0|1,0,0]=3 4444 B15R2.4780 [13CH3]Oc1ccc2cc(ccc2c1)CN 34a_200000083168_200025704644 [0,2,0,0,0,0|1,0,0]=3 4445 B15R2.4780 [13CH3]Sc1ccc2cc(ccc2c1)C=O 62a_100012356508_200025704644 [0,2,0,0,0,0|1,1,0]=4 4446 B15R2.4780 [13CH3]Sc1ccc2cc(ccc2c1)C=O 62a_200025704644_100012356508 [0,2,0,0,0,0|1,1,0]=4 4447 B15R2.4780 [13CH3]Sc1ccc2cc(ccc2c1)CO 62a_100012356509_200025704644 [0,2,0,0,0,0|1,1,0]=4 4448 B15R2.4780 [13CH3]Sc1ccc2cc(ccc2c1)CO 62a_200025704644_100012356509 [0,2,0,0,0,0|1,1,0]=4 4449 B15R2.4780 [13CH3]Sc1ccc2cc(ccc2n1)C#N 62a_200025704644_100000091635 [0,2,0,0,0,0|2,0,0]=4 4450 B15R2.4780 [13CH3]Sc1ccc2cc(ccc2n1)C=O 62a_200025704644_100000087602 [0,2,0,0,0,0|2,0,0]=4 4451 B15R2.4780 [13CH3]Sc1ccc2nc(ccc2c1)C#N 62a_200025704644_200012353941 [0,2,0,0,0,0|0,1,0]=3 4452 B13R2.10 O=C1C=C(CC1)c2ccccn2 271570a_100010737933_100011216584 [0,0,1,1,0,0|2,0,0]=4 4453 B13R2.64 c1cncc(c1)Sc2ccco2 62a_100000210063_100009814098 [0,0,1,1,0,0|1,0,1]=4 4454 B13R2.64 c1cncc(c1)Sc2ccco2 62a_100009814098_100000210063 [0,0,1,1,0,0|1,0,1]=4 4455 B13R2.573 C=Cc1cccc2c1ccn2C 271570a_100011290941_200011934935 [0,0,1,1,0,0|2,0,0]=4 4456 B13R2.573 C=Cc1nccc2c1ccn2C 271570a_100011290941_100000048735 [0,0,1,1,0,0|1,0,0]=3 4457 B13R2.573 C=Cc1nccc2c1cnn2C 271570a_100011290941_100015332818 [0,0,1,1,0,0|2,0,0]=4 4458 B13R2.573 C=Cc1nccc2c1ncn2C 271570a_100011290941_100000075535 [0,0,1,1,0,0|2,0,0]=4 4459 B13R2.573 C=Cc1ncnc2c1ccn2C 271570a_100011290941_100000076352 [0,0,1,1,0,0|2,0,0]=4 4460 B13R2.1613 C=Cc1nccc2c1cccc2 271570a_100011290941_100011934041 [0,0,1,1,0,0|1,0,1]=4 4461 B13R2.1613 C=Cc1nccc2c1cccn2 271570a_100011290941_100000077681 [0,0,1,1,0,0|2,0,0]=4 4462 B13R2.18 Brc1cccnc1C2=CCOC2 271570a_100009872500_100000696092 [0,0,1,1,0,0|1,0,1]=4 4463 B13R2.18 Brc1cccnc1c2ccoc2 271570a_100011218838_100000696092 [0,0,1,1,0,0|1,0,1]=4 4464 B13R2.18 Cc1cccnc1C2=CCOC2 271570a_100009872500_100000751373 [0,0,1,1,0,0|0,0,2]=4 4465 B13R2.18 Cc1cccnc1c2ccoc2 271570a_100011218838_100000751373 [0,0,1,1,0,0|0,0,2]=4 4466 B13R2.18 Clc1cccnc1C2=CCOC2 271570a_100009872500_100011356963 [0,0,1,1,0,0|1,0,1]=4 4467 B13R2.18 Clc1cccnc1c2ccoc2 271570a_100009857861_100011215275 [0,0,1,1,0,0|1,0,1]=4 4468 B13R2.18 Clc1cccnc1c2ccoc2 271570a_100011218838_100011356963 [0,0,1,1,0,0|1,0,1]=4 4469 B13R2.18 Fc1cccnc1C2=CCOC2 271570a_100009872500_100000685392 [0,0,1,1,0,0|1,0,1]=4 4470 B13R2.18 Fc1cccnc1c2ccoc2 271570a_100011218838_100000685392 [0,0,1,1,0,0|1,0,1]=4 4471 B13R2.18 Nc1cccnc1C2=CCOC2 271570a_100009872500_100000688686 [0,0,1,1,0,0|1,0,1]=4 4472 B13R2.18 Nc1cccnc1c2ccoc2 271570a_100011218838_100000688686 [0,0,1,1,0,0|1,0,1]=4 4473 B13R2.18 Oc1cccnc1C2=CCOC2 271570a_100009872500_100000034122 [0,0,1,1,0,0|1,0,1]=4 4474 B13R2.18 Oc1cccnc1c2ccoc2 271570a_100011218838_100000034122 [0,0,1,1,0,0|1,0,1]=4 4475 B13R2.611 COc1ccc(c2c1[nH]cc2)O 271570a_203496583355_100010188287 [0,0,1,1,0,0|2,0,0]=4 4476 B13R2.611 COc1ccc(c2c1cc[nH]2)C 34a_100000132354_200000210301 [0,0,1,1,0,0|2,0,0]=4 4477 B13R2.611 COc1ccc(c2c1cc[nH]2)O 271570a_203496583355_100010138376 [0,0,1,1,0,0|2,0,0]=4 4478 B13R2.611 COc1ccc(c2c1occ2)Br 34a_200020711608_200000210301 [0,0,1,1,0,0|2,0,0]=4 4479 B13R2.611 COc1ccc(c2c1occ2)Br 7a_200020711608_200000210301 [0,0,1,1,0,0|2,0,0]=4 4480 B13R2.611 Cc1ccc(c2c1[nH]cc2)O[13CH3] 34a_100000132354_200025704644 [0,0,1,1,0,0|2,0,0]=4 4481 B13R2.611 [13CH3]Oc1ccc(c2c1occ2)Br 34a_200020711608_200025704644 [0,0,1,1,0,0|2,0,0]=4 4482 B13R2.611 [13CH3]Oc1ccc(c2c1occ2)Br 7a_200020711608_200025704644 [0,0,1,1,0,0|2,0,0]=4 4483 B15R3.31603 c1cc2cc(ccc2nn1)C3CC3 271570a_100011220607_100010209549 [0,1,0,1,0,0|2,0,0]=4 4484 B15R3.31603 c1ccc2cc(ccc2c1)C3CC3 271570a_100011220607_100000233703 [0,1,0,1,0,0|2,0,0]=4 4485 B15R3.31603 c1cnc2cc(ccc2n1)C3CC3 271570a_100011220607_100011219451 [0,1,0,1,0,0|2,0,0]=4 4486 B15R3.31603 c1cnc2ccc(cc2c1)C3CC3 271570a_100011220607_100000754243 [0,1,0,1,0,0|1,0,0]=3 4487 B15R3.31603 c1cnc2ccc(nc2c1)C3CC3 271570a_100011220607_100000073381 [0,1,0,1,0,0|2,0,0]=4 4488 B15R3.31603 c1ncc2cc(ccc2n1)C3CC3 271570a_100011220607_100009989443 [0,1,0,1,0,0|2,0,0]=4 4489 B11R1.12 C=CC(OC)c1ccccc1 34a_100011215659_200000210301 [0,0,1,0,1,0|1,0,1]=4 4490 B11R1.12 C=CC(OC)c1ccccc1 7a_100011215659_200000210301 [0,0,1,0,1,0|1,0,1]=4 4491 B11R1.12 C=CC(O[13CH3])c1ccccc1 34a_100011215659_200025704644 [0,0,1,0,1,0|1,0,1]=4 4492 B11R1.12 C=CC(O[13CH3])c1ccccc1 7a_100011215659_200025704644 [0,0,1,0,1,0|1,0,1]=4 4493 B11R1.222 COC(=O)c1cccnc1O 271570a_203496583355_100000150852 [0,0,1,0,1,0|2,0,0]=4 4494 B11R2.1 Oc1c[nH]c2c1cccn2 271570a_203496583355_100011934613 [1,0,0,0,1,0|1,0,0]=3 4495 B11R2.1 Oc1c[nH]c2c1cncn2 271570a_203496583355_100009817560 [1,0,0,0,1,0|2,0,0]=4 4496 B11R2.1 Oc1cnc2n1cccn2 271570a_203496583355_100011934454 [1,0,0,0,1,0|2,0,0]=4 4497 B11R2.1 Oc1coc2c1cccc2 271570a_203496583355_100009812202 [1,0,0,0,1,0|2,0,0]=4 4498 B11R2.1 Oc1csc2c1cccc2 271570a_203496583355_100009813928 [1,0,0,0,1,0|2,0,0]=4 4499 B11R2.1 Oc1csc2c1cccn2 271570a_203496583355_100009830249 [1,0,0,0,1,0|1,0,0]=3 4500 B11R2.1 Oc1csc2c1nccn2 271570a_203496583355_100010174841 [1,0,0,0,1,0|2,0,0]=4 4501 B11R2.1 Oc1n[nH]c2c1cccn2 271570a_203496583355_100009888962 [1,0,0,0,1,0|2,0,0]=4 4502 B11R2.10 Oc1cc2ccccc2[nH]1 271570a_203496583355_100010232065 [1,0,0,0,1,0|2,0,0]=4 4503 B11R2.10 Oc1cc2ccccc2o1 271570a_203496583355_100010159458 [1,0,0,0,1,0|2,0,0]=4 4504 B11R2.10 Oc1cc2ccccc2s1 271570a_203496583355_100009816949 [1,0,0,0,1,0|2,0,0]=4 4505 B11R2.10 Oc1cc2cccnc2[nH]1 271570a_203496583355_100010079843 [1,0,0,0,1,0|1,0,0]=3 4506 B11R2.10 Oc1cn2ncccc2n1 271570a_203496583355_200010296001 [1,0,0,0,1,0|2,0,0]=4 4507 B11R2.10 Oc1nc2cccnc2s1 271570a_203496583355_100010188088 [1,0,0,0,1,0|2,0,0]=4 4508 B11R2.36 Oc1cc2[nH]ccc2cn1 271570a_203496583355_100000089685 [1,0,0,0,1,0|2,0,0]=4 4509 B11R2.36 Oc1cc2cc[nH]c2cn1 271570a_203496583355_100009864809 [1,0,0,0,1,0|1,0,1]=4 4510 B11R2.36 Oc1cc2sccc2cn1 271570a_203496583355_200016184645 [1,0,0,0,1,0|2,0,0]=4 4511 B11R2.36 Oc1ccc2[nH]ccc2c1 271570a_203496583355_100000211741 [1,0,0,0,1,0|0,0,1]=3 4512 B11R2.36 Oc1ccc2[nH]ccc2n1 271570a_203496583355_100000087148 [1,0,0,0,1,0|1,0,1]=4 4513 B11R2.36 Oc1ccc2[nH]cnc2c1 271570a_203496583355_100011265325 [1,0,0,0,1,0|1,0,1]=4 4514 B11R2.36 Oc1ccc2[nH]ncc2c1 271570a_203496583355_100000049815 [1,0,0,0,1,0|1,0,1]=4 4515 B11R2.36 Oc1ccc2c(c1)C=CC2 271570a_203496583355_100009814306 [1,0,0,0,1,0|0,0,1]=3 4516 B11R2.36 Oc1ccc2c(c1)CC=C2 271570a_203496583355_200009818231 [1,0,0,0,1,0|0,0,1]=3 4517 B11R2.36 Oc1ccc2cc[nH]c2c1 271570a_203496583355_100000743809 [1,0,0,0,1,0|1,0,0]=3 4518 B11R2.36 Oc1ccc2cc[nH]c2n1 271570a_203496583355_100009814870 [1,0,0,0,1,0|2,0,0]=4 4519 B11R2.36 Oc1ccc2ccnn2c1 271570a_203496583355_100009820231 [1,0,0,0,1,0|2,0,0]=4 4520 B11R2.36 Oc1ccc2ccoc2c1 271570a_203496583355_100000759542 [1,0,0,0,1,0|1,0,0]=3 4521 B11R2.36 Oc1ccc2ccsc2c1 271570a_203496583355_100009888917 [1,0,0,0,1,0|1,0,0]=3 4522 B11R2.36 Oc1ccc2cn[nH]c2c1 271570a_203496583355_100000049514 [1,0,0,0,1,0|2,0,0]=4 4523 B11R2.36 Oc1ccc2cncn2c1 271570a_203496583355_100009887162 [1,0,0,0,1,0|2,0,0]=4 4524 B11R2.36 Oc1ccc2cnoc2c1 271570a_203496583355_100009817722 [1,0,0,0,1,0|2,0,0]=4 4525 B11R2.36 Oc1ccc2cscc2c1 271570a_203496583355_200010760811 [1,0,0,0,1,0|1,0,0]=3 4526 B11R2.36 Oc1ccc2csnc2c1 271570a_203496583355_100010170880 [1,0,0,0,1,0|2,0,0]=4 4527 B11R2.36 Oc1ccc2nc[nH]c2n1 271570a_203496583355_100000077665 [1,0,0,0,1,0|2,0,0]=4 4528 B11R2.36 Oc1ccc2nccn2c1 271570a_203496583355_100000746083 [1,0,0,0,1,0|1,0,0]=3 4529 B11R2.36 Oc1ccc2nccn2n1 271570a_203496583355_100009883166 [1,0,0,0,1,0|2,0,0]=4 4530 B11R2.36 Oc1ccc2ncnn2c1 271570a_203496583355_100009816971 [1,0,0,0,1,0|2,0,0]=4 4531 B11R2.36 Oc1ccc2ncoc2c1 271570a_203496583355_100009817590 [1,0,0,0,1,0|1,0,0]=3 4532 B11R2.36 Oc1ccc2ncsc2c1 271570a_203496583355_100009816678 [1,0,0,0,1,0|1,0,0]=3 4533 B11R2.36 Oc1ccc2ncsc2n1 271570a_203496583355_100010381354 [1,0,0,0,1,0|2,0,0]=4 4534 B11R2.36 Oc1ccc2nn[nH]c2c1 271570a_203496583355_100009817464 [1,0,0,0,1,0|2,0,0]=4 4535 B11R2.36 Oc1ccc2nncn2c1 271570a_203496583355_100000764363 [1,0,0,0,1,0|2,0,0]=4 4536 B11R2.36 Oc1ccc2nonc2c1 271570a_203496583355_100009814275 [1,0,0,0,1,0|2,0,0]=4 4537 B11R2.36 Oc1ccc2nsnc2c1 271570a_203496583355_100009814274 [1,0,0,0,1,0|2,0,0]=4 4538 B11R2.36 Oc1ccc2occc2c1 271570a_203496583355_100012343831 [1,0,0,0,1,0|1,0,0]=3 4539 B11R2.36 Oc1ccc2occc2n1 271570a_203496583355_100009851292 [1,0,0,0,1,0|2,0,0]=4 4540 B11R2.36 Oc1ccc2ocnc2c1 271570a_203496583355_100009816175 [1,0,0,0,1,0|2,0,0]=4 4541 B11R2.36 Oc1ccc2oncc2c1 271570a_203496583355_100009817723 [1,0,0,0,1,0|2,0,0]=4 4542 B11R2.36 Oc1ccc2sccc2c1 271570a_203496583355_100009814439 [1,0,0,0,1,0|1,0,0]=3 4543 B11R2.36 Oc1ccc2sccc2n1 271570a_203496583355_100012000956 [1,0,0,0,1,0|2,0,0]=4 4544 B11R2.36 Oc1ccc2scnc2c1 271570a_203496583355_100010005895 [1,0,0,0,1,0|2,0,0]=4 4545 B11R2.36 Oc1ccn2ccnc2c1 271570a_203496583355_100009816855 [1,0,0,0,1,0|2,0,0]=4 4546 B11R2.36 Oc1ccn2nccc2c1 271570a_203496583355_100000763084 [1,0,0,0,1,0|1,0,0]=3 4547 B11R2.36 Oc1ccn2nccc2n1 271570a_203496583355_100000691470 [1,0,0,0,1,0|2,0,0]=4 4548 B11R2.36 Oc1ccn2ncnc2c1 271570a_203496583355_100009819723 [1,0,0,0,1,0|2,0,0]=4 4549 B11R2.36 Oc1ccn2nncc2c1 271570a_203496583355_100009820036 [1,0,0,0,1,0|2,0,0]=4 4550 B11R2.36 Oc1cn2ccnc2cn1 271570a_203496583355_102495339940 [1,0,0,0,1,0|2,0,0]=4 4551 B11R2.36 Oc1cnc2[nH]ccc2c1 271570a_203496583355_100000760471 [1,0,0,0,1,0|1,0,1]=4 4552 B11R2.36 Oc1cnc2cc[nH]c2c1 271570a_203496583355_100009818992 [1,0,0,0,1,0|2,0,0]=4 4553 B11R2.36 Oc1cnc2nc[nH]c2c1 271570a_203496583355_100000760087 [1,0,0,0,1,0|2,0,0]=4 4554 B11R2.36 Oc1cnc2nccn2c1 271570a_203496583355_100000764708 [1,0,0,0,1,0|2,0,0]=4 4555 B11R2.36 Oc1cnc2ncoc2c1 271570a_203496583355_100000721906 [1,0,0,0,1,0|2,0,0]=4 4556 B11R2.36 Oc1cnc2nscc2c1 271570a_203496583355_200020642285 [1,0,0,0,1,0|2,0,0]=4 4557 B11R2.36 Oc1cnc2sccc2c1 271570a_203496583355_100010135160 [1,0,0,0,1,0|2,0,0]=4 4558 B13R1.718 COC(=O)C=NNc1ccccn1 4a_100000183288_200011823558 [0,0,1,0,0,1|2,0,0]=4