0 B10R1.172 C#Cc1cccc(c1)NC 2230a_100000735509_200000210301 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.172 C#Cc1cccc(c1)NC 34a_100000735509_200000210301 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.172 C#Cc1cccc(c1)N[13CH3] 2230a_100000735509_200025704644 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.172 C#Cc1cccc(c1)N[13CH3] 34a_100000735509_200025704644 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.172 C#Cc1cccc(c1)OC 34a_100011216014_200000210301 [0,0,0,0,0,0|1,0,1]=2 5 B10R1.172 C#Cc1cccc(c1)OC 7a_100011216014_200000210301 [0,0,0,0,0,0|1,0,1]=2 6 B10R1.172 C#Cc1cccc(c1)O[13CH3] 34a_100011216014_200025704644 [0,0,0,0,0,0|1,0,1]=2 7 B10R1.172 C#Cc1cccc(c1)O[13CH3] 7a_100011216014_200025704644 [0,0,0,0,0,0|1,0,1]=2 8 B10R1.172 C=Cc1cc(ccn1)CC 271570a_100011290941_100009817561 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.172 C=Cc1cc(ccn1)NC 271570a_100011290941_100009869472 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.172 C=Cc1cc(ccn1)OC 271570a_100011290941_100011216251 [0,0,0,0,0,0|2,0,1]=3 11 B10R1.172 C=Cc1cc(ccn1)SC 271570a_100011290941_100010883326 [0,0,0,0,0,0|2,1,1]=4 12 B10R1.172 C=Cc1cc(ccn1)SC 62a_100009845566_200000210301 [0,0,0,0,0,0|2,1,1]=4 13 B10R1.172 C=Cc1cc(ccn1)SC 62a_200000210301_100009845566 [0,0,0,0,0,0|2,1,1]=4 14 B10R1.172 C=Cc1cc(ccn1)S[13CH3] 62a_100009845566_200025704644 [0,0,0,0,0,0|2,1,1]=4 15 B10R1.172 C=Cc1cc(ccn1)S[13CH3] 62a_200025704644_100009845566 [0,0,0,0,0,0|2,1,1]=4 16 B10R1.172 C=Cc1cc(cnn1)OC 271570a_100011290941_100000087634 [0,0,0,0,0,0|3,0,1]=4 17 B10R1.172 C=Cc1cc(ncn1)OC 271570a_100011290941_100012187182 [0,0,0,0,0,0|3,0,1]=4 18 B10R1.172 C=Cc1cccc(c1)C#N 271570a_100011290941_100000189340 [0,0,0,0,0,0|3,0,1]=4 19 B10R1.172 C=Cc1cccc(c1)C=O 271570a_100011290941_100000014684 [0,0,0,0,0,0|3,0,1]=4 20 B10R1.172 C=Cc1cccc(c1)CC 271570a_100011290941_100000684523 [0,0,0,0,0,0|2,0,1]=3 21 B10R1.172 C=Cc1cccc(c1)CF 271570a_100011290941_100010878472 [0,0,0,0,0,0|3,0,1]=4 22 B10R1.172 C=Cc1cccc(c1)CN 271570a_100011290941_100000106179 [0,0,0,0,0,0|3,0,1]=4 23 B10R1.172 C=Cc1cccc(c1)CO 271570a_100011290941_100000687537 [0,0,0,0,0,0|3,0,1]=4 24 B10R1.172 C=Cc1cccc(c1)NC 271570a_100011290941_100000219648 [0,0,0,0,0,0|2,0,1]=3 25 B10R1.172 C=Cc1cccc(c1)NC 34a_100011827668_200000210301 [0,0,0,0,0,0|2,0,1]=3 26 B10R1.172 C=Cc1cccc(c1)NN 271570a_100011290941_100000217339 [0,0,0,0,0,0|3,0,1]=4 27 B10R1.172 C=Cc1cccc(c1)N[13CH3] 34a_100011827668_200025704644 [0,0,0,0,0,0|2,0,1]=3 28 B10R1.172 C=Cc1cccc(c1)OC 271570a_100011290941_100000170001 [0,0,0,0,0,0|1,0,1]=2 29 B10R1.172 C=Cc1cccc(c1)OC 34a_100011309434_200000210301 [0,0,0,0,0,0|1,0,1]=2 30 B10R1.172 C=Cc1cccc(c1)OC 7a_100011309434_200000210301 [0,0,0,0,0,0|1,0,1]=2 31 B10R1.172 C=Cc1cccc(c1)O[13CH3] 34a_100011309434_200025704644 [0,0,0,0,0,0|1,0,1]=2 32 B10R1.172 C=Cc1cccc(c1)O[13CH3] 7a_100011309434_200025704644 [0,0,0,0,0,0|1,0,1]=2 33 B10R1.172 C=Cc1cccc(c1)SC 271570a_100011290941_100011215954 [0,0,0,0,0,0|1,1,1]=3 34 B10R1.172 C=Cc1cccc(c1)SC 62a_100011215241_200000210301 [0,0,0,0,0,0|1,1,1]=3 35 B10R1.172 C=Cc1cccc(c1)SC 62a_200000210301_100011215241 [0,0,0,0,0,0|1,1,1]=3 36 B10R1.172 C=Cc1cccc(c1)S[13CH3] 62a_100011215241_200025704644 [0,0,0,0,0,0|1,1,1]=3 37 B10R1.172 C=Cc1cccc(c1)S[13CH3] 62a_200025704644_100011215241 [0,0,0,0,0,0|1,1,1]=3 38 B10R1.172 C=Cc1cccc(n1)CC 271570a_100011290941_100009856026 [0,0,0,0,0,0|3,0,1]=4 39 B10R1.172 C=Cc1cccc(n1)NC 271570a_100011290941_100000703281 [0,0,0,0,0,0|3,0,1]=4 40 B10R1.172 C=Cc1cccc(n1)OC 271570a_100011290941_100000760917 [0,0,0,0,0,0|2,0,1]=3 41 B10R1.172 C=Cc1cccc(n1)SC 271570a_100011290941_100011960944 [0,0,0,0,0,0|2,1,1]=4 42 B10R1.172 C=Cc1ccnc(c1)CC 271570a_100011290941_100009820011 [0,0,0,0,0,0|3,0,1]=4 43 B10R1.172 C=Cc1ccnc(c1)NC 271570a_100011290941_100009819592 [0,0,0,0,0,0|3,0,1]=4 44 B10R1.172 C=Cc1ccnc(c1)OC 271570a_100011290941_100000117307 [0,0,0,0,0,0|2,0,1]=3 45 B10R1.172 C=Cc1ccnc(n1)OC 271570a_100011290941_100000069072 [0,0,0,0,0,0|3,0,1]=4 46 B10R1.172 C=Cc1cncc(c1)CC 271570a_100011290941_200009819073 [0,0,0,0,0,0|3,0,1]=4 47 B10R1.172 C=Cc1cncc(c1)NC 271570a_100011290941_100012184536 [0,0,0,0,0,0|3,0,1]=4 48 B10R1.172 C=Cc1cncc(c1)OC 271570a_100011290941_100000684773 [0,0,0,0,0,0|2,0,1]=3 49 B10R1.172 C=Cc1cncc(c1)SC 271570a_100011290941_100009816972 [0,0,0,0,0,0|2,1,1]=4 50 B10R1.172 C=Cc1cncc(c1)SC 62a_200000210301_200012180632 [0,0,0,0,0,0|2,1,1]=4 51 B10R1.172 C=Cc1cncc(c1)SC 62a_200012180632_200000210301 [0,0,0,0,0,0|2,1,1]=4 52 B10R1.172 C=Cc1cncc(c1)S[13CH3] 62a_200012180632_200025704644 [0,0,0,0,0,0|2,1,1]=4 53 B10R1.172 C=Cc1cncc(c1)S[13CH3] 62a_200025704644_200012180632 [0,0,0,0,0,0|2,1,1]=4 54 B10R1.172 C=Cc1cncc(n1)OC 271570a_100011290941_100000756030 [0,0,0,0,0,0|3,0,1]=4 55 B10R1.172 C=Cc1nccc(n1)OC 271570a_100011290941_100000182009 [0,0,0,0,0,0|3,0,1]=4 56 B10R1.172 CC[n+]1cccc(c1)OC 34a_100000731997_200000210301 [0,0,0,0,0,0|2,0,0]=2 57 B10R1.172 CC[n+]1cccc(c1)OC 7a_100000731997_200000210301 [0,0,0,0,0,0|2,0,0]=2 58 B10R1.172 CC[n+]1cccc(c1)O[13CH3] 34a_100000731997_200025704644 [0,0,0,0,0,0|2,0,0]=2 59 B10R1.172 CC[n+]1cccc(c1)O[13CH3] 7a_100000731997_200025704644 [0,0,0,0,0,0|2,0,0]=2 60 B10R1.172 CCc1cc(ccn1)NC 27a_100102657272_100009820011 [0,0,0,0,0,0|3,0,0]=3 61 B10R1.172 CCc1cc(ccn1)SC 62a_100009820011_200000210301 [0,0,0,0,0,0|2,1,0]=3 62 B10R1.172 CCc1cc(ccn1)SC 62a_200000210301_100009820011 [0,0,0,0,0,0|2,1,0]=3 63 B10R1.172 CCc1cc(ccn1)S[13CH3] 62a_100009820011_200025704644 [0,0,0,0,0,0|2,1,0]=3 64 B10R1.172 CCc1cc(ccn1)S[13CH3] 62a_200025704644_100009820011 [0,0,0,0,0,0|2,1,0]=3 65 B10R1.172 CCc1cc(ncn1)NC 27a_100102657272_100000744278 [0,0,0,0,0,0|4,0,0]=4 66 B10R1.172 CCc1cc(ncn1)SC 62a_100000744278_200000210301 [0,0,0,0,0,0|3,1,0]=4 67 B10R1.172 CCc1cc(ncn1)SC 62a_200000210301_100000744278 [0,0,0,0,0,0|3,1,0]=4 68 B10R1.172 CCc1cc(ncn1)S[13CH3] 62a_100000744278_200025704644 [0,0,0,0,0,0|3,1,0]=4 69 B10R1.172 CCc1cc(ncn1)S[13CH3] 62a_200025704644_100000744278 [0,0,0,0,0,0|3,1,0]=4 70 B10R1.172 CCc1cccc(c1)NC 2230a_100000211250_200000210301 [0,0,0,0,0,0|2,0,0]=2 71 B10R1.172 CCc1cccc(c1)NC 34a_100000211250_200000210301 [0,0,0,0,0,0|2,0,0]=2 72 B10R1.172 CCc1cccc(c1)NC 7a_100000211250_200000210301 [0,0,0,0,0,0|2,0,0]=2 73 B10R1.172 CCc1cccc(c1)N[13CH3] 2230a_100000211250_200025704644 [0,0,0,0,0,0|2,0,0]=2 74 B10R1.172 CCc1cccc(c1)N[13CH3] 34a_100000211250_200025704644 [0,0,0,0,0,0|2,0,0]=2 75 B10R1.172 CCc1cccc(c1)N[13CH3] 7a_100000211250_200025704644 [0,0,0,0,0,0|2,0,0]=2 76 B10R1.172 CCc1cccc(c1)OC 34a_100000211550_200000210301 [0,0,0,0,0,0|1,0,0]=1 77 B10R1.172 CCc1cccc(c1)OC 7a_100000211550_200000210301 [0,0,0,0,0,0|1,0,0]=1 78 B10R1.172 CCc1cccc(c1)O[13CH3] 34a_100000211550_200025704644 [0,0,0,0,0,0|1,0,0]=1 79 B10R1.172 CCc1cccc(c1)O[13CH3] 7a_100000211550_200025704644 [0,0,0,0,0,0|1,0,0]=1 80 B10R1.172 CCc1cccc(c1)SC 62a_100011263222_200000210301 [0,0,0,0,0,0|1,1,0]=2 81 B10R1.172 CCc1cccc(c1)SC 62a_200000210301_100011263222 [0,0,0,0,0,0|1,1,0]=2 82 B10R1.172 CCc1cccc(c1)S[13CH3] 62a_100011263222_200025704644 [0,0,0,0,0,0|1,1,0]=2 83 B10R1.172 CCc1cccc(c1)S[13CH3] 62a_200025704644_100011263222 [0,0,0,0,0,0|1,1,0]=2 84 B10R1.172 CCc1cccc(n1)SC 62a_100009856026_200000210301 [0,0,0,0,0,0|2,1,0]=3 85 B10R1.172 CCc1cccc(n1)SC 62a_200000210301_100009856026 [0,0,0,0,0,0|2,1,0]=3 86 B10R1.172 CCc1cccc(n1)S[13CH3] 62a_100009856026_200025704644 [0,0,0,0,0,0|2,1,0]=3 87 B10R1.172 CCc1cccc(n1)S[13CH3] 62a_200025704644_100009856026 [0,0,0,0,0,0|2,1,0]=3 88 B10R1.172 CCc1ccnc(c1)NC 27a_100102657272_100009817561 [0,0,0,0,0,0|3,0,0]=3 89 B10R1.172 CCc1ccnc(c1)SC 62a_100009817561_200000210301 [0,0,0,0,0,0|2,1,0]=3 90 B10R1.172 CCc1ccnc(c1)SC 62a_200000210301_100009817561 [0,0,0,0,0,0|2,1,0]=3 91 B10R1.172 CCc1ccnc(c1)S[13CH3] 62a_100009817561_200025704644 [0,0,0,0,0,0|2,1,0]=3 92 B10R1.172 CCc1ccnc(c1)S[13CH3] 62a_200025704644_100009817561 [0,0,0,0,0,0|2,1,0]=3 93 B10R1.172 CCc1ccnc(n1)NC 27a_100102657272_100000100215 [0,0,0,0,0,0|4,0,0]=4 94 B10R1.172 CCc1ccnc(n1)SC 62a_100000100215_200000210301 [0,0,0,0,0,0|3,1,0]=4 95 B10R1.172 CCc1ccnc(n1)SC 62a_200000210301_100000100215 [0,0,0,0,0,0|3,1,0]=4 96 B10R1.172 CCc1ccnc(n1)S[13CH3] 62a_100000100215_200025704644 [0,0,0,0,0,0|3,1,0]=4 97 B10R1.172 CCc1ccnc(n1)S[13CH3] 62a_200025704644_100000100215 [0,0,0,0,0,0|3,1,0]=4 98 B10R1.172 CCc1cncc(c1)OC 34a_200009861530_200000210301 [0,0,0,0,0,0|2,0,0]=2 99 B10R1.172 CCc1cncc(c1)OC 7a_200009861530_200000210301 [0,0,0,0,0,0|2,0,0]=2 100 B10R1.172 CCc1cncc(c1)O[13CH3] 34a_200009861530_200025704644 [0,0,0,0,0,0|2,0,0]=2 101 B10R1.172 CCc1cncc(c1)O[13CH3] 7a_200009861530_200025704644 [0,0,0,0,0,0|2,0,0]=2 102 B10R1.172 CCc1cncc(c1)SC 62a_200000210301_200009819073 [0,0,0,0,0,0|2,1,0]=3 103 B10R1.172 CCc1cncc(c1)SC 62a_200009819073_200000210301 [0,0,0,0,0,0|2,1,0]=3 104 B10R1.172 CCc1cncc(c1)S[13CH3] 62a_200009819073_200025704644 [0,0,0,0,0,0|2,1,0]=3 105 B10R1.172 CCc1cncc(c1)S[13CH3] 62a_200025704644_200009819073 [0,0,0,0,0,0|2,1,0]=3 106 B10R1.172 CNc1cc(ccn1)C#N 27a_100102657272_100011291639 [0,0,0,0,0,0|4,0,0]=4 107 B10R1.172 CNc1cc(ccn1)SC 62a_100009819592_200000210301 [0,0,0,0,0,0|2,1,0]=3 108 B10R1.172 CNc1cc(ccn1)SC 62a_200000210301_100009819592 [0,0,0,0,0,0|2,1,0]=3 109 B10R1.172 CNc1cc(ccn1)S[13CH3] 62a_100009819592_200025704644 [0,0,0,0,0,0|2,1,0]=3 110 B10R1.172 CNc1cc(ccn1)S[13CH3] 62a_200025704644_100009819592 [0,0,0,0,0,0|2,1,0]=3 111 B10R1.172 CNc1cc(ncn1)NC 27a_100102657272_100000756605 [0,0,0,0,0,0|4,0,0]=4 112 B10R1.172 CNc1cc(ncn1)OC 27a_100102657272_100000049997 [0,0,0,0,0,0|3,0,0]=3 113 B10R1.172 CNc1cc(ncn1)SC 27a_100102657272_100011443430 [0,0,0,0,0,0|3,1,0]=4 114 B10R1.172 CNc1cc(ncn1)SC 62a_100000756605_200000210301 [0,0,0,0,0,0|3,1,0]=4 115 B10R1.172 CNc1cc(ncn1)SC 62a_200000210301_100000756605 [0,0,0,0,0,0|3,1,0]=4 116 B10R1.172 CNc1cc(ncn1)S[13CH3] 62a_100000756605_200025704644 [0,0,0,0,0,0|3,1,0]=4 117 B10R1.172 CNc1cc(ncn1)S[13CH3] 62a_200025704644_100000756605 [0,0,0,0,0,0|3,1,0]=4 118 B10R1.172 CNc1cccc(c1)C#N 34a_100000210922_200000210301 [0,0,0,0,0,0|3,0,0]=3 119 B10R1.172 CNc1cccc(c1)C#N 7a_100000210922_200000210301 [0,0,0,0,0,0|3,0,0]=3 120 B10R1.172 CNc1cccc(c1)CF 2230a_100000126320_200000210301 [0,0,0,0,0,0|3,0,0]=3 121 B10R1.172 CNc1cccc(c1)CF 34a_100000126320_200000210301 [0,0,0,0,0,0|3,0,0]=3 122 B10R1.172 CNc1cccc(c1)CF 7a_100000126320_200000210301 [0,0,0,0,0,0|3,0,0]=3 123 B10R1.172 CNc1cccc(c1)CO 2230a_100000211919_200000210301 [0,0,0,0,0,0|3,0,0]=3 124 B10R1.172 CNc1cccc(c1)CO 34a_100000211919_200000210301 [0,0,0,0,0,0|3,0,0]=3 125 B10R1.172 CNc1cccc(c1)OC 34a_100000210024_200000210301 [0,0,0,0,0,0|1,0,0]=1 126 B10R1.172 CNc1cccc(c1)OC 34a_100000756613_200000210301 [0,0,0,0,0,0|1,0,0]=1 127 B10R1.172 CNc1cccc(c1)OC 7a_100000756613_200000210301 [0,0,0,0,0,0|1,0,0]=1 128 B10R1.172 CNc1cccc(c1)O[13CH3] 34a_100000756613_200025704644 [0,0,0,0,0,0|1,0,0]=1 129 B10R1.172 CNc1cccc(c1)O[13CH3] 7a_100000756613_200025704644 [0,0,0,0,0,0|1,0,0]=1 130 B10R1.172 CNc1cccc(c1)SC 2230a_100000210049_200000210301 [0,0,0,0,0,0|1,1,0]=2 131 B10R1.172 CNc1cccc(c1)SC 34a_100000210049_200000210301 [0,0,0,0,0,0|1,1,0]=2 132 B10R1.172 CNc1cccc(c1)SC 62a_100000219648_200000210301 [0,0,0,0,0,0|1,1,0]=2 133 B10R1.172 CNc1cccc(c1)SC 62a_200000210301_100000219648 [0,0,0,0,0,0|1,1,0]=2 134 B10R1.172 CNc1cccc(c1)S[13CH3] 62a_100000219648_200025704644 [0,0,0,0,0,0|1,1,0]=2 135 B10R1.172 CNc1cccc(c1)S[13CH3] 62a_200025704644_100000219648 [0,0,0,0,0,0|1,1,0]=2 136 B10R1.172 CNc1cccc(n1)C#N 27a_100102657272_100011934037 [0,0,0,0,0,0|4,0,0]=4 137 B10R1.172 CNc1cccc(n1)SC 62a_100000703281_200000210301 [0,0,0,0,0,0|2,1,0]=3 138 B10R1.172 CNc1cccc(n1)SC 62a_200000210301_100000703281 [0,0,0,0,0,0|2,1,0]=3 139 B10R1.172 CNc1cccc(n1)S[13CH3] 62a_100000703281_200025704644 [0,0,0,0,0,0|2,1,0]=3 140 B10R1.172 CNc1cccc(n1)S[13CH3] 62a_200025704644_100000703281 [0,0,0,0,0,0|2,1,0]=3 141 B10R1.172 CNc1ccnc(c1)C#N 27a_100102657272_100000685610 [0,0,0,0,0,0|4,0,0]=4 142 B10R1.172 CNc1ccnc(c1)CO 27a_100102657272_100000748867 [0,0,0,0,0,0|4,0,0]=4 143 B10R1.172 CNc1ccnc(c1)SC 62a_100009869472_200000210301 [0,0,0,0,0,0|2,1,0]=3 144 B10R1.172 CNc1ccnc(c1)SC 62a_200000210301_100009869472 [0,0,0,0,0,0|2,1,0]=3 145 B10R1.172 CNc1ccnc(c1)S[13CH3] 62a_100009869472_200025704644 [0,0,0,0,0,0|2,1,0]=3 146 B10R1.172 CNc1ccnc(c1)S[13CH3] 62a_200025704644_100009869472 [0,0,0,0,0,0|2,1,0]=3 147 B10R1.172 CNc1ccnc(n1)NC 27a_100102657272_100011649947 [0,0,0,0,0,0|4,0,0]=4 148 B10R1.172 CNc1ccnc(n1)NC 27a_100102657272_100012000420 [0,0,0,0,0,0|4,0,0]=4 149 B10R1.172 CNc1ccnc(n1)OC 27a_100102657272_100000069072 [0,0,0,0,0,0|3,0,0]=3 150 B10R1.172 CNc1ccnc(n1)SC 27a_100102657272_100000032126 [0,0,0,0,0,0|3,1,0]=4 151 B10R1.172 CNc1ccnc(n1)SC 62a_100011649947_200000210301 [0,0,0,0,0,0|3,1,0]=4 152 B10R1.172 CNc1ccnc(n1)SC 62a_200000210301_100011649947 [0,0,0,0,0,0|3,1,0]=4 153 B10R1.172 CNc1ccnc(n1)S[13CH3] 62a_100011649947_200025704644 [0,0,0,0,0,0|3,1,0]=4 154 B10R1.172 CNc1ccnc(n1)S[13CH3] 62a_200025704644_100011649947 [0,0,0,0,0,0|3,1,0]=4 155 B10R1.172 CNc1cncc(c1)SC 62a_100012184536_200000210301 [0,0,0,0,0,0|2,1,0]=3 156 B10R1.172 CNc1cncc(c1)SC 62a_200000210301_100012184536 [0,0,0,0,0,0|2,1,0]=3 157 B10R1.172 CNc1cncc(c1)S[13CH3] 62a_100012184536_200025704644 [0,0,0,0,0,0|2,1,0]=3 158 B10R1.172 CNc1cncc(c1)S[13CH3] 62a_200025704644_100012184536 [0,0,0,0,0,0|2,1,0]=3 159 B10R1.172 CNc1cncc(n1)OC 27a_100102657272_100009819700 [0,0,0,0,0,0|3,0,0]=3 160 B10R1.172 CNc1cncc(n1)SC 62a_100011529438_200000210301 [0,0,0,0,0,0|3,1,0]=4 161 B10R1.172 CNc1cncc(n1)SC 62a_200000210301_100011529438 [0,0,0,0,0,0|3,1,0]=4 162 B10R1.172 CNc1cncc(n1)S[13CH3] 62a_100011529438_200025704644 [0,0,0,0,0,0|3,1,0]=4 163 B10R1.172 CNc1cncc(n1)S[13CH3] 62a_200025704644_100011529438 [0,0,0,0,0,0|3,1,0]=4 164 B10R1.172 CNc1nccc(n1)OC 27a_100102657272_100000182009 [0,0,0,0,0,0|3,0,0]=3 165 B10R1.172 CNc1nccc(n1)SC 27a_100102657272_100011650323 [0,0,0,0,0,0|3,1,0]=4 166 B10R1.172 CNc1nccc(n1)SC 62a_100012000420_200000210301 [0,0,0,0,0,0|3,1,0]=4 167 B10R1.172 CNc1nccc(n1)SC 62a_200000210301_100012000420 [0,0,0,0,0,0|3,1,0]=4 168 B10R1.172 CNc1nccc(n1)S[13CH3] 62a_100012000420_200025704644 [0,0,0,0,0,0|3,1,0]=4 169 B10R1.172 CNc1nccc(n1)S[13CH3] 62a_200025704644_100012000420 [0,0,0,0,0,0|3,1,0]=4 170 B10R1.172 CNc1ncnc(n1)OC 27a_100102657272_200010750123 [0,0,0,0,0,0|4,0,0]=4 171 B10R1.172 COc1cc(ccn1)CN 34a_100000748557_200000210301 [0,0,0,0,0,0|3,0,0]=3 172 B10R1.172 COc1cc(ccn1)O[13CH3] 34a_100012181050_200025704644 [0,0,0,0,0,0|1,0,0]=1 173 B10R1.172 COc1cc(ccn1)SC 62a_100000117307_200000210301 [0,0,0,0,0,0|1,1,0]=2 174 B10R1.172 COc1cc(ccn1)SC 62a_200000210301_100000117307 [0,0,0,0,0,0|1,1,0]=2 175 B10R1.172 COc1cc(ccn1)S[13CH3] 62a_100000117307_200025704644 [0,0,0,0,0,0|1,1,0]=2 176 B10R1.172 COc1cc(ccn1)S[13CH3] 62a_200025704644_100000117307 [0,0,0,0,0,0|1,1,0]=2 177 B10R1.172 COc1cc(ncn1)SC 62a_100000049997_200000210301 [0,0,0,0,0,0|2,1,0]=3 178 B10R1.172 COc1cc(ncn1)SC 62a_200000210301_100000049997 [0,0,0,0,0,0|2,1,0]=3 179 B10R1.172 COc1cc(ncn1)S[13CH3] 62a_100000049997_200025704644 [0,0,0,0,0,0|2,1,0]=3 180 B10R1.172 COc1cc(ncn1)S[13CH3] 62a_200025704644_100000049997 [0,0,0,0,0,0|2,1,0]=3 181 B10R1.172 COc1cccc(c1)C#N 34a_100000184713_200000210301 [0,0,0,0,0,0|2,0,0]=2 182 B10R1.172 COc1cccc(c1)C#N 7a_100000184713_200000210301 [0,0,0,0,0,0|2,0,0]=2 183 B10R1.172 COc1cccc(c1)CBr 34a_100011660834_200000210301 [0,0,0,0,0,0|2,0,0]=2 184 B10R1.172 COc1cccc(c1)CBr 7a_100011660834_200000210301 [0,0,0,0,0,0|2,0,0]=2 185 B10R1.172 COc1cccc(c1)CCl 34a_100000084143_200000210301 [0,0,0,0,0,0|2,0,0]=2 186 B10R1.172 COc1cccc(c1)CCl 7a_100000084143_200000210301 [0,0,0,0,0,0|2,0,0]=2 187 B10R1.172 COc1cccc(c1)CN 34a_100000743036_200000210301 [0,0,0,0,0,0|2,0,0]=2 188 B10R1.172 COc1cccc(c1)CO 34a_100011214949_200000210301 [0,0,0,0,0,0|2,0,0]=2 189 B10R1.172 COc1cccc(c1)CO 7a_100011214949_200000210301 [0,0,0,0,0,0|2,0,0]=2 190 B10R1.172 COc1cccc(c1)N[13CH3] 34a_100000210024_200025704644 [0,0,0,0,0,0|1,0,0]=1 191 B10R1.172 COc1cccc(c1)OC 34a_100000211255_200000210301 [0,0,0,0,0,0|0,0,0]=0 192 B10R1.172 COc1cccc(c1)OC 7a_100000211255_200000210301 [0,0,0,0,0,0|0,0,0]=0 193 B10R1.172 COc1cccc(c1)O[13CH3] 34a_100000211255_200025704644 [0,0,0,0,0,0|0,0,0]=0 194 B10R1.172 COc1cccc(c1)O[13CH3] 7a_100000211255_200025704644 [0,0,0,0,0,0|0,0,0]=0 195 B10R1.172 COc1cccc(c1)SC 34a_100011265683_200000210301 [0,0,0,0,0,0|0,1,0]=1 196 B10R1.172 COc1cccc(c1)SC 62a_200000210301_100000170001 [0,0,0,0,0,0|0,1,0]=1 197 B10R1.172 COc1cccc(c1)SC 7a_100011265683_200000210301 [0,0,0,0,0,0|0,1,0]=1 198 B10R1.172 COc1cccc(c1)S[13CH3] 62a_200025704644_100000170001 [0,0,0,0,0,0|0,1,0]=1 199 B10R1.172 COc1cccc(n1)SC 62a_100000760917_200000210301 [0,0,0,0,0,0|1,1,0]=2 200 B10R1.172 COc1cccc(n1)SC 62a_200000210301_100000760917 [0,0,0,0,0,0|1,1,0]=2 201 B10R1.172 COc1cccc(n1)S[13CH3] 62a_100000760917_200025704644 [0,0,0,0,0,0|1,1,0]=2 202 B10R1.172 COc1cccc(n1)S[13CH3] 62a_200025704644_100000760917 [0,0,0,0,0,0|1,1,0]=2 203 B10R1.172 COc1ccnc(c1)C#N 34a_100011777083_200000210301 [0,0,0,0,0,0|3,0,0]=3 204 B10R1.172 COc1ccnc(c1)C#N 7a_100011777083_200000210301 [0,0,0,0,0,0|3,0,0]=3 205 B10R1.172 COc1ccnc(c1)OC 34a_100012181050_200000210301 [0,0,0,0,0,0|1,0,0]=1 206 B10R1.172 COc1ccnc(c1)SC 62a_100009817693_200000210301 [0,0,0,0,0,0|1,1,0]=2 207 B10R1.172 COc1ccnc(c1)SC 62a_200000210301_100011216251 [0,0,0,0,0,0|1,1,0]=2 208 B10R1.172 COc1ccnc(c1)S[13CH3] 62a_100009817693_200025704644 [0,0,0,0,0,0|1,1,0]=2 209 B10R1.172 COc1ccnc(c1)S[13CH3] 62a_200025704644_100011216251 [0,0,0,0,0,0|1,1,0]=2 210 B10R1.172 COc1ccnc(n1)SC 62a_100000182009_200000210301 [0,0,0,0,0,0|2,1,0]=3 211 B10R1.172 COc1ccnc(n1)SC 62a_200000210301_100000182009 [0,0,0,0,0,0|2,1,0]=3 212 B10R1.172 COc1ccnc(n1)S[13CH3] 62a_100000182009_200025704644 [0,0,0,0,0,0|2,1,0]=3 213 B10R1.172 COc1ccnc(n1)S[13CH3] 62a_200025704644_100000182009 [0,0,0,0,0,0|2,1,0]=3 214 B10R1.172 COc1cncc(c1)C#N 34a_100012002025_200000210301 [0,0,0,0,0,0|3,0,0]=3 215 B10R1.172 COc1cncc(c1)C#N 7a_100012002025_200000210301 [0,0,0,0,0,0|3,0,0]=3 216 B10R1.172 COc1cncc(c1)OC 34a_100000084572_200000210301 [0,0,0,0,0,0|1,0,0]=1 217 B10R1.172 COc1cncc(c1)OC 7a_100000084572_200000210301 [0,0,0,0,0,0|1,0,0]=1 218 B10R1.172 COc1cncc(c1)O[13CH3] 34a_100000084572_200025704644 [0,0,0,0,0,0|1,0,0]=1 219 B10R1.172 COc1cncc(c1)O[13CH3] 7a_100000084572_200025704644 [0,0,0,0,0,0|1,0,0]=1 220 B10R1.172 COc1cncc(c1)SC 62a_100000050176_200000210301 [0,0,0,0,0,0|1,1,0]=2 221 B10R1.172 COc1cncc(c1)SC 62a_200000210301_100000050176 [0,0,0,0,0,0|1,1,0]=2 222 B10R1.172 COc1cncc(c1)S[13CH3] 62a_100000050176_200025704644 [0,0,0,0,0,0|1,1,0]=2 223 B10R1.172 COc1cncc(c1)S[13CH3] 62a_200025704644_100000050176 [0,0,0,0,0,0|1,1,0]=2 224 B10R1.172 COc1cncc(n1)SC 62a_100000756030_200000210301 [0,0,0,0,0,0|2,1,0]=3 225 B10R1.172 COc1cncc(n1)SC 62a_200000210301_100000756030 [0,0,0,0,0,0|2,1,0]=3 226 B10R1.172 COc1cncc(n1)S[13CH3] 62a_100000756030_200025704644 [0,0,0,0,0,0|2,1,0]=3 227 B10R1.172 COc1cncc(n1)S[13CH3] 62a_200025704644_100000756030 [0,0,0,0,0,0|2,1,0]=3 228 B10R1.172 COc1cnnc(c1)SC 62a_200000210301_100000087634 [0,0,0,0,0,0|2,1,0]=3 229 B10R1.172 COc1cnnc(c1)S[13CH3] 62a_200025704644_100000087634 [0,0,0,0,0,0|2,1,0]=3 230 B10R1.172 COc1nccc(n1)SC 62a_100000069072_200000210301 [0,0,0,0,0,0|2,1,0]=3 231 B10R1.172 COc1nccc(n1)SC 62a_200000210301_100000069072 [0,0,0,0,0,0|2,1,0]=3 232 B10R1.172 COc1nccc(n1)S[13CH3] 62a_100000069072_200025704644 [0,0,0,0,0,0|2,1,0]=3 233 B10R1.172 COc1nccc(n1)S[13CH3] 62a_200025704644_100000069072 [0,0,0,0,0,0|2,1,0]=3 234 B10R1.172 COc1ncnc(n1)SC 62a_200000210301_200010750123 [0,0,0,0,0,0|3,1,0]=4 235 B10R1.172 COc1ncnc(n1)SC 62a_200010750123_200000210301 [0,0,0,0,0,0|3,1,0]=4 236 B10R1.172 COc1ncnc(n1)S[13CH3] 62a_200010750123_200025704644 [0,0,0,0,0,0|3,1,0]=4 237 B10R1.172 COc1ncnc(n1)S[13CH3] 62a_200025704644_200010750123 [0,0,0,0,0,0|3,1,0]=4 238 B10R1.172 CSc1cc(ccn1)C#N 62a_200000210301_100011291639 [0,0,0,0,0,0|3,1,0]=4 239 B10R1.172 CSc1cc(ccn1)C=O 62a_100011290808_200000210301 [0,0,0,0,0,0|3,1,0]=4 240 B10R1.172 CSc1cc(ccn1)C=O 62a_200000210301_100011290808 [0,0,0,0,0,0|3,1,0]=4 241 B10R1.172 CSc1cc(ccn1)CN 62a_100025757509_200000210301 [0,0,0,0,0,0|3,1,0]=4 242 B10R1.172 CSc1cc(ccn1)CN 62a_200000210301_100025757509 [0,0,0,0,0,0|3,1,0]=4 243 B10R1.172 CSc1cc(ccn1)CO 62a_100009814636_200000210301 [0,0,0,0,0,0|3,1,0]=4 244 B10R1.172 CSc1cc(ccn1)CO 62a_200000210301_100009814636 [0,0,0,0,0,0|3,1,0]=4 245 B10R1.172 CSc1cc(ccn1)NN 62a_100000089018_200000210301 [0,0,0,0,0,0|3,1,0]=4 246 B10R1.172 CSc1cc(ccn1)NN 62a_200000210301_100000089018 [0,0,0,0,0,0|3,1,0]=4 247 B10R1.172 CSc1cc(ncn1)SC 62a_100011443430_200000210301 [0,0,0,0,0,0|2,2,0]=4 248 B10R1.172 CSc1cc(ncn1)SC 62a_200000210301_100011443430 [0,0,0,0,0,0|2,2,0]=4 249 B10R1.172 CSc1cc(ncn1)S[13CH3] 62a_100011443430_200025704644 [0,0,0,0,0,0|2,2,0]=4 250 B10R1.172 CSc1cc(ncn1)S[13CH3] 62a_200025704644_100011443430 [0,0,0,0,0,0|2,2,0]=4 251 B10R1.172 CSc1cccc(c1)C#N 62a_200000210301_100000189340 [0,0,0,0,0,0|2,1,0]=3 252 B10R1.172 CSc1cccc(c1)C=O 62a_100000014684_200000210301 [0,0,0,0,0,0|2,1,0]=3 253 B10R1.172 CSc1cccc(c1)C=O 62a_200000210301_100000014684 [0,0,0,0,0,0|2,1,0]=3 254 B10R1.172 CSc1cccc(c1)CF 62a_100010878472_200000210301 [0,0,0,0,0,0|2,1,0]=3 255 B10R1.172 CSc1cccc(c1)CF 62a_200000210301_100010878472 [0,0,0,0,0,0|2,1,0]=3 256 B10R1.172 CSc1cccc(c1)CN 62a_100000106179_200000210301 [0,0,0,0,0,0|2,1,0]=3 257 B10R1.172 CSc1cccc(c1)CN 62a_200000210301_100000106179 [0,0,0,0,0,0|2,1,0]=3 258 B10R1.172 CSc1cccc(c1)CO 62a_100000687537_200000210301 [0,0,0,0,0,0|2,1,0]=3 259 B10R1.172 CSc1cccc(c1)CO 62a_200000210301_100000687537 [0,0,0,0,0,0|2,1,0]=3 260 B10R1.172 CSc1cccc(c1)NN 62a_100000217339_200000210301 [0,0,0,0,0,0|2,1,0]=3 261 B10R1.172 CSc1cccc(c1)NN 62a_200000210301_100000217339 [0,0,0,0,0,0|2,1,0]=3 262 B10R1.172 CSc1cccc(c1)N[13CH3] 2230a_100000210049_200025704644 [0,0,0,0,0,0|1,1,0]=2 263 B10R1.172 CSc1cccc(c1)N[13CH3] 34a_100000210049_200025704644 [0,0,0,0,0,0|1,1,0]=2 264 B10R1.172 CSc1cccc(c1)O[13CH3] 34a_100011265683_200025704644 [0,0,0,0,0,0|0,1,0]=1 265 B10R1.172 CSc1cccc(c1)O[13CH3] 7a_100011265683_200025704644 [0,0,0,0,0,0|0,1,0]=1 266 B10R1.172 CSc1cccc(c1)SC 62a_100011215954_200000210301 [0,0,0,0,0,0|0,2,0]=2 267 B10R1.172 CSc1cccc(c1)SC 62a_200000210301_100011215954 [0,0,0,0,0,0|0,2,0]=2 268 B10R1.172 CSc1cccc(c1)S[13CH3] 62a_100011215954_200025704644 [0,0,0,0,0,0|0,2,0]=2 269 B10R1.172 CSc1cccc(c1)S[13CH3] 62a_200025704644_100011215954 [0,0,0,0,0,0|0,2,0]=2 270 B10R1.172 CSc1cccc(n1)C#N 62a_200000210301_100011934037 [0,0,0,0,0,0|3,1,0]=4 271 B10R1.172 CSc1cccc(n1)C=O 62a_100000688028_200000210301 [0,0,0,0,0,0|3,1,0]=4 272 B10R1.172 CSc1cccc(n1)C=O 62a_200000210301_100000688028 [0,0,0,0,0,0|3,1,0]=4 273 B10R1.172 CSc1cccc(n1)CN 62a_100016990191_200000210301 [0,0,0,0,0,0|3,1,0]=4 274 B10R1.172 CSc1cccc(n1)CN 62a_200000210301_100016990191 [0,0,0,0,0,0|3,1,0]=4 275 B10R1.172 CSc1cccc(n1)CO 62a_100000694195_200000210301 [0,0,0,0,0,0|3,1,0]=4 276 B10R1.172 CSc1cccc(n1)CO 62a_200000210301_100000694195 [0,0,0,0,0,0|3,1,0]=4 277 B10R1.172 CSc1cccc(n1)NN 62a_100009817029_200000210301 [0,0,0,0,0,0|3,1,0]=4 278 B10R1.172 CSc1cccc(n1)NN 62a_200000210301_100009817029 [0,0,0,0,0,0|3,1,0]=4 279 B10R1.172 CSc1cccc(n1)SC 62a_100011960944_200000210301 [0,0,0,0,0,0|1,2,0]=3 280 B10R1.172 CSc1cccc(n1)SC 62a_200000210301_100011960944 [0,0,0,0,0,0|1,2,0]=3 281 B10R1.172 CSc1cccc(n1)S[13CH3] 62a_100011960944_200025704644 [0,0,0,0,0,0|1,2,0]=3 282 B10R1.172 CSc1cccc(n1)S[13CH3] 62a_200025704644_100011960944 [0,0,0,0,0,0|1,2,0]=3 283 B10R1.172 CSc1ccnc(c1)C#N 62a_200000210301_100000685610 [0,0,0,0,0,0|3,1,0]=4 284 B10R1.172 CSc1ccnc(c1)C=O 62a_100011998288_200000210301 [0,0,0,0,0,0|3,1,0]=4 285 B10R1.172 CSc1ccnc(c1)C=O 62a_200000210301_100011998288 [0,0,0,0,0,0|3,1,0]=4 286 B10R1.172 CSc1ccnc(c1)CN 62a_100000085674_200000210301 [0,0,0,0,0,0|3,1,0]=4 287 B10R1.172 CSc1ccnc(c1)CN 62a_200000210301_100000085674 [0,0,0,0,0,0|3,1,0]=4 288 B10R1.172 CSc1ccnc(c1)CO 62a_100000748867_200000210301 [0,0,0,0,0,0|3,1,0]=4 289 B10R1.172 CSc1ccnc(c1)CO 62a_200000210301_100000748867 [0,0,0,0,0,0|3,1,0]=4 290 B10R1.172 CSc1ccnc(c1)NN 62a_100000764631_200000210301 [0,0,0,0,0,0|3,1,0]=4 291 B10R1.172 CSc1ccnc(c1)NN 62a_200000210301_100000764631 [0,0,0,0,0,0|3,1,0]=4 292 B10R1.172 CSc1ccnc(c1)SC 62a_100010883326_200000210301 [0,0,0,0,0,0|1,2,0]=3 293 B10R1.172 CSc1ccnc(c1)SC 62a_200000210301_100010883326 [0,0,0,0,0,0|1,2,0]=3 294 B10R1.172 CSc1ccnc(c1)S[13CH3] 62a_100010883326_200025704644 [0,0,0,0,0,0|1,2,0]=3 295 B10R1.172 CSc1ccnc(c1)S[13CH3] 62a_200025704644_100010883326 [0,0,0,0,0,0|1,2,0]=3 296 B10R1.172 CSc1ccnc(n1)SC 62a_100000032126_200000210301 [0,0,0,0,0,0|2,2,0]=4 297 B10R1.172 CSc1ccnc(n1)SC 62a_100011650323_200000210301 [0,0,0,0,0,0|2,2,0]=4 298 B10R1.172 CSc1ccnc(n1)SC 62a_200000210301_100000032126 [0,0,0,0,0,0|2,2,0]=4 299 B10R1.172 CSc1ccnc(n1)SC 62a_200000210301_100011650323 [0,0,0,0,0,0|2,2,0]=4 300 B10R1.172 CSc1ccnc(n1)S[13CH3] 62a_100011650323_200025704644 [0,0,0,0,0,0|2,2,0]=4 301 B10R1.172 CSc1ccnc(n1)S[13CH3] 62a_200025704644_100011650323 [0,0,0,0,0,0|2,2,0]=4 302 B10R1.172 CSc1cncc(c1)C#N 62a_200000210301_100000686085 [0,0,0,0,0,0|3,1,0]=4 303 B10R1.172 CSc1cncc(c1)C=O 62a_100000687066_200000210301 [0,0,0,0,0,0|3,1,0]=4 304 B10R1.172 CSc1cncc(c1)C=O 62a_200000210301_100000687066 [0,0,0,0,0,0|3,1,0]=4 305 B10R1.172 CSc1cncc(c1)CN 62a_100011249555_200000210301 [0,0,0,0,0,0|3,1,0]=4 306 B10R1.172 CSc1cncc(c1)CN 62a_200000210301_100011249555 [0,0,0,0,0,0|3,1,0]=4 307 B10R1.172 CSc1cncc(c1)CO 62a_100011259137_200000210301 [0,0,0,0,0,0|3,1,0]=4 308 B10R1.172 CSc1cncc(c1)CO 62a_200000210301_100011259137 [0,0,0,0,0,0|3,1,0]=4 309 B10R1.172 CSc1cncc(c1)NN 62a_100000727789_200000210301 [0,0,0,0,0,0|3,1,0]=4 310 B10R1.172 CSc1cncc(c1)NN 62a_200000210301_100000727789 [0,0,0,0,0,0|3,1,0]=4 311 B10R1.172 CSc1cncc(c1)SC 62a_100009816972_200000210301 [0,0,0,0,0,0|1,2,0]=3 312 B10R1.172 CSc1cncc(c1)SC 62a_200000210301_100009816972 [0,0,0,0,0,0|1,2,0]=3 313 B10R1.172 CSc1cncc(c1)S[13CH3] 62a_100009816972_200025704644 [0,0,0,0,0,0|1,2,0]=3 314 B10R1.172 CSc1cncc(c1)S[13CH3] 62a_200025704644_100009816972 [0,0,0,0,0,0|1,2,0]=3 315 B10R1.172 CSc1nccc(n1)S[13CH3] 62a_100000032126_200025704644 [0,0,0,0,0,0|2,2,0]=4 316 B10R1.172 CSc1nccc(n1)S[13CH3] 62a_200025704644_100000032126 [0,0,0,0,0,0|2,2,0]=4 317 B10R1.172 [13CH3]Nc1cccc(c1)C#N 34a_100000210922_200025704644 [0,0,0,0,0,0|3,0,0]=3 318 B10R1.172 [13CH3]Nc1cccc(c1)C#N 7a_100000210922_200025704644 [0,0,0,0,0,0|3,0,0]=3 319 B10R1.172 [13CH3]Nc1cccc(c1)CF 2230a_100000126320_200025704644 [0,0,0,0,0,0|3,0,0]=3 320 B10R1.172 [13CH3]Nc1cccc(c1)CF 34a_100000126320_200025704644 [0,0,0,0,0,0|3,0,0]=3 321 B10R1.172 [13CH3]Nc1cccc(c1)CF 7a_100000126320_200025704644 [0,0,0,0,0,0|3,0,0]=3 322 B10R1.172 [13CH3]Nc1cccc(c1)CO 2230a_100000211919_200025704644 [0,0,0,0,0,0|3,0,0]=3 323 B10R1.172 [13CH3]Nc1cccc(c1)CO 34a_100000211919_200025704644 [0,0,0,0,0,0|3,0,0]=3 324 B10R1.172 [13CH3]Oc1cc(ccn1)CN 34a_100000748557_200025704644 [0,0,0,0,0,0|3,0,0]=3 325 B10R1.172 [13CH3]Oc1cccc(c1)C#N 34a_100000184713_200025704644 [0,0,0,0,0,0|2,0,0]=2 326 B10R1.172 [13CH3]Oc1cccc(c1)C#N 7a_100000184713_200025704644 [0,0,0,0,0,0|2,0,0]=2 327 B10R1.172 [13CH3]Oc1cccc(c1)CBr 34a_100011660834_200025704644 [0,0,0,0,0,0|2,0,0]=2 328 B10R1.172 [13CH3]Oc1cccc(c1)CBr 7a_100011660834_200025704644 [0,0,0,0,0,0|2,0,0]=2 329 B10R1.172 [13CH3]Oc1cccc(c1)CCl 34a_100000084143_200025704644 [0,0,0,0,0,0|2,0,0]=2 330 B10R1.172 [13CH3]Oc1cccc(c1)CCl 7a_100000084143_200025704644 [0,0,0,0,0,0|2,0,0]=2 331 B10R1.172 [13CH3]Oc1cccc(c1)CN 34a_100000743036_200025704644 [0,0,0,0,0,0|2,0,0]=2 332 B10R1.172 [13CH3]Oc1cccc(c1)CO 34a_100011214949_200025704644 [0,0,0,0,0,0|2,0,0]=2 333 B10R1.172 [13CH3]Oc1cccc(c1)CO 7a_100011214949_200025704644 [0,0,0,0,0,0|2,0,0]=2 334 B10R1.172 [13CH3]Oc1ccnc(c1)C#N 34a_100011777083_200025704644 [0,0,0,0,0,0|3,0,0]=3 335 B10R1.172 [13CH3]Oc1ccnc(c1)C#N 7a_100011777083_200025704644 [0,0,0,0,0,0|3,0,0]=3 336 B10R1.172 [13CH3]Oc1cncc(c1)C#N 34a_100012002025_200025704644 [0,0,0,0,0,0|3,0,0]=3 337 B10R1.172 [13CH3]Oc1cncc(c1)C#N 7a_100012002025_200025704644 [0,0,0,0,0,0|3,0,0]=3 338 B10R1.172 [13CH3]Sc1cc(ccn1)C#N 62a_200025704644_100011291639 [0,0,0,0,0,0|3,1,0]=4 339 B10R1.172 [13CH3]Sc1cc(ccn1)C=O 62a_100011290808_200025704644 [0,0,0,0,0,0|3,1,0]=4 340 B10R1.172 [13CH3]Sc1cc(ccn1)C=O 62a_200025704644_100011290808 [0,0,0,0,0,0|3,1,0]=4 341 B10R1.172 [13CH3]Sc1cc(ccn1)CN 62a_100025757509_200025704644 [0,0,0,0,0,0|3,1,0]=4 342 B10R1.172 [13CH3]Sc1cc(ccn1)CN 62a_200025704644_100025757509 [0,0,0,0,0,0|3,1,0]=4 343 B10R1.172 [13CH3]Sc1cc(ccn1)CO 62a_100009814636_200025704644 [0,0,0,0,0,0|3,1,0]=4 344 B10R1.172 [13CH3]Sc1cc(ccn1)CO 62a_200025704644_100009814636 [0,0,0,0,0,0|3,1,0]=4 345 B10R1.172 [13CH3]Sc1cc(ccn1)NN 62a_100000089018_200025704644 [0,0,0,0,0,0|3,1,0]=4 346 B10R1.172 [13CH3]Sc1cc(ccn1)NN 62a_200025704644_100000089018 [0,0,0,0,0,0|3,1,0]=4 347 B10R1.172 [13CH3]Sc1cccc(c1)C#N 62a_200025704644_100000189340 [0,0,0,0,0,0|2,1,0]=3 348 B10R1.172 [13CH3]Sc1cccc(c1)C=O 62a_100000014684_200025704644 [0,0,0,0,0,0|2,1,0]=3 349 B10R1.172 [13CH3]Sc1cccc(c1)C=O 62a_200025704644_100000014684 [0,0,0,0,0,0|2,1,0]=3 350 B10R1.172 [13CH3]Sc1cccc(c1)CF 62a_100010878472_200025704644 [0,0,0,0,0,0|2,1,0]=3 351 B10R1.172 [13CH3]Sc1cccc(c1)CF 62a_200025704644_100010878472 [0,0,0,0,0,0|2,1,0]=3 352 B10R1.172 [13CH3]Sc1cccc(c1)CN 62a_100000106179_200025704644 [0,0,0,0,0,0|2,1,0]=3 353 B10R1.172 [13CH3]Sc1cccc(c1)CN 62a_200025704644_100000106179 [0,0,0,0,0,0|2,1,0]=3 354 B10R1.172 [13CH3]Sc1cccc(c1)CO 62a_100000687537_200025704644 [0,0,0,0,0,0|2,1,0]=3 355 B10R1.172 [13CH3]Sc1cccc(c1)CO 62a_200025704644_100000687537 [0,0,0,0,0,0|2,1,0]=3 356 B10R1.172 [13CH3]Sc1cccc(c1)NN 62a_100000217339_200025704644 [0,0,0,0,0,0|2,1,0]=3 357 B10R1.172 [13CH3]Sc1cccc(c1)NN 62a_200025704644_100000217339 [0,0,0,0,0,0|2,1,0]=3 358 B10R1.172 [13CH3]Sc1cccc(n1)C#N 62a_200025704644_100011934037 [0,0,0,0,0,0|3,1,0]=4 359 B10R1.172 [13CH3]Sc1cccc(n1)C=O 62a_100000688028_200025704644 [0,0,0,0,0,0|3,1,0]=4 360 B10R1.172 [13CH3]Sc1cccc(n1)C=O 62a_200025704644_100000688028 [0,0,0,0,0,0|3,1,0]=4 361 B10R1.172 [13CH3]Sc1cccc(n1)CN 62a_100016990191_200025704644 [0,0,0,0,0,0|3,1,0]=4 362 B10R1.172 [13CH3]Sc1cccc(n1)CN 62a_200025704644_100016990191 [0,0,0,0,0,0|3,1,0]=4 363 B10R1.172 [13CH3]Sc1cccc(n1)CO 62a_100000694195_200025704644 [0,0,0,0,0,0|3,1,0]=4 364 B10R1.172 [13CH3]Sc1cccc(n1)CO 62a_200025704644_100000694195 [0,0,0,0,0,0|3,1,0]=4 365 B10R1.172 [13CH3]Sc1cccc(n1)NN 62a_100009817029_200025704644 [0,0,0,0,0,0|3,1,0]=4 366 B10R1.172 [13CH3]Sc1cccc(n1)NN 62a_200025704644_100009817029 [0,0,0,0,0,0|3,1,0]=4 367 B10R1.172 [13CH3]Sc1ccnc(c1)C#N 62a_200025704644_100000685610 [0,0,0,0,0,0|3,1,0]=4 368 B10R1.172 [13CH3]Sc1ccnc(c1)C=O 62a_100011998288_200025704644 [0,0,0,0,0,0|3,1,0]=4 369 B10R1.172 [13CH3]Sc1ccnc(c1)C=O 62a_200025704644_100011998288 [0,0,0,0,0,0|3,1,0]=4 370 B10R1.172 [13CH3]Sc1ccnc(c1)CN 62a_100000085674_200025704644 [0,0,0,0,0,0|3,1,0]=4 371 B10R1.172 [13CH3]Sc1ccnc(c1)CN 62a_200025704644_100000085674 [0,0,0,0,0,0|3,1,0]=4 372 B10R1.172 [13CH3]Sc1ccnc(c1)CO 62a_100000748867_200025704644 [0,0,0,0,0,0|3,1,0]=4 373 B10R1.172 [13CH3]Sc1ccnc(c1)CO 62a_200025704644_100000748867 [0,0,0,0,0,0|3,1,0]=4 374 B10R1.172 [13CH3]Sc1ccnc(c1)NN 62a_100000764631_200025704644 [0,0,0,0,0,0|3,1,0]=4 375 B10R1.172 [13CH3]Sc1ccnc(c1)NN 62a_200025704644_100000764631 [0,0,0,0,0,0|3,1,0]=4 376 B10R1.172 [13CH3]Sc1cncc(c1)C#N 62a_200025704644_100000686085 [0,0,0,0,0,0|3,1,0]=4 377 B10R1.172 [13CH3]Sc1cncc(c1)C=O 62a_100000687066_200025704644 [0,0,0,0,0,0|3,1,0]=4 378 B10R1.172 [13CH3]Sc1cncc(c1)C=O 62a_200025704644_100000687066 [0,0,0,0,0,0|3,1,0]=4 379 B10R1.172 [13CH3]Sc1cncc(c1)CN 62a_100011249555_200025704644 [0,0,0,0,0,0|3,1,0]=4 380 B10R1.172 [13CH3]Sc1cncc(c1)CN 62a_200025704644_100011249555 [0,0,0,0,0,0|3,1,0]=4 381 B10R1.172 [13CH3]Sc1cncc(c1)CO 62a_100011259137_200025704644 [0,0,0,0,0,0|3,1,0]=4 382 B10R1.172 [13CH3]Sc1cncc(c1)CO 62a_200025704644_100011259137 [0,0,0,0,0,0|3,1,0]=4 383 B10R1.172 [13CH3]Sc1cncc(c1)NN 62a_100000727789_200025704644 [0,0,0,0,0,0|3,1,0]=4 384 B10R1.172 [13CH3]Sc1cncc(c1)NN 62a_200025704644_100000727789 [0,0,0,0,0,0|3,1,0]=4 385 B9R1.2 C=Cc1cc(ccn1)C 271570a_100011290941_100000750283 [1,0,0,0,0,0|2,0,1]=4 386 B9R1.2 C=Cc1cc(ccn1)O 271570a_100011290941_100000762945 [1,0,0,0,0,0|2,0,1]=4 387 B9R1.2 C=Cc1ccc[n+](c1)C 271570a_100011290941_100009996589 [1,0,0,0,0,0|2,0,1]=4 388 B9R1.2 C=Cc1cccc(c1)Br 271570a_100011290941_100000691529 [1,0,0,0,0,0|2,0,1]=4 389 B9R1.2 C=Cc1cccc(c1)C 271570a_100011290941_100011215228 [1,0,0,0,0,0|1,0,1]=3 390 B9R1.2 C=Cc1cccc(c1)Cl 271570a_100011290941_100000699651 [1,0,0,0,0,0|2,0,1]=4 391 B9R1.2 C=Cc1cccc(c1)F 271570a_100011290941_100000685547 [1,0,0,0,0,0|2,0,1]=4 392 B9R1.2 C=Cc1cccc(c1)N 271570a_100011290941_100000210019 [1,0,0,0,0,0|2,0,1]=4 393 B9R1.2 C=Cc1cccc(c1)O 271570a_100011290941_100000211634 [1,0,0,0,0,0|1,0,1]=3 394 B9R1.2 C=Cc1cccc(c1)[S] 271570a_100011290941_114929384022 [1,0,0,0,0,0|1,1,1]=4 395 B9R1.2 C=Cc1cccc(n1)C 271570a_100011290941_100000742759 [1,0,0,0,0,0|2,0,1]=4 396 B9R1.2 C=Cc1ccnc(c1)C 271570a_100011290941_100000758586 [1,0,0,0,0,0|2,0,1]=4 397 B9R1.2 C=Cc1cncc(c1)C 271570a_100011290941_100000760492 [1,0,0,0,0,0|2,0,1]=4 398 B9R1.2 C=Cc1cncc(c1)O 271570a_100011290941_100000754920 [1,0,0,0,0,0|2,0,1]=4 399 B9R1.2 CCc1cc(ccn1)O 271570a_203496583355_100009820011 [1,0,0,0,0,0|2,0,0]=3 400 B9R1.2 CCc1cc(ncn1)O 271570a_203496583355_100000744278 [1,0,0,0,0,0|3,0,0]=4 401 B9R1.2 CCc1cccc(c1)O 271570a_203496583355_100000684523 [1,0,0,0,0,0|1,0,0]=2 402 B9R1.2 CCc1cccc(n1)O 271570a_203496583355_100009856026 [1,0,0,0,0,0|2,0,0]=3 403 B9R1.2 CCc1ccnc(c1)O 271570a_203496583355_100009817561 [1,0,0,0,0,0|2,0,0]=3 404 B9R1.2 CCc1ccnc(n1)O 271570a_203496583355_100000100215 [1,0,0,0,0,0|3,0,0]=4 405 B9R1.2 CCc1cncc(c1)O 271570a_203496583355_200009819073 [1,0,0,0,0,0|2,0,0]=3 406 B9R1.2 CNc1cc(ccn1)F 27a_100102657272_100000764206 [1,0,0,0,0,0|3,0,0]=4 407 B9R1.2 CNc1cc(ccn1)O 271570a_203496583355_100009819592 [1,0,0,0,0,0|2,0,0]=3 408 B9R1.2 CNc1cc(cnn1)C 27a_100102657272_100000070100 [1,0,0,0,0,0|3,0,0]=4 409 B9R1.2 CNc1cc(ncn1)C 27a_100102657272_100000744208 [1,0,0,0,0,0|3,0,0]=4 410 B9R1.2 CNc1cc(ncn1)O 271570a_203496583355_100000756605 [1,0,0,0,0,0|3,0,0]=4 411 B9R1.2 CNc1cc(ncn1)O 27a_100102657272_100000765262 [1,0,0,0,0,0|3,0,0]=4 412 B9R1.2 CNc1cc[nH]c(=O)c1 27a_100102657272_100000061649 [1,0,0,0,0,0|2,0,1]=4 413 B9R1.2 CNc1cccc(c1)Br 34a_100000210019_200000210301 [1,0,0,0,0,0|2,0,0]=3 414 B9R1.2 CNc1cccc(c1)C 2230a_100000188690_200000210301 [1,0,0,0,0,0|1,0,0]=2 415 B9R1.2 CNc1cccc(c1)C 34a_100000188690_200000210301 [1,0,0,0,0,0|1,0,0]=2 416 B9R1.2 CNc1cccc(c1)Cl 34a_100000185859_200000210301 [1,0,0,0,0,0|2,0,0]=3 417 B9R1.2 CNc1cccc(c1)F 34a_100000210047_200000210301 [1,0,0,0,0,0|2,0,0]=3 418 B9R1.2 CNc1cccc(c1)I 34a_100000211102_200000210301 [1,0,0,0,0,0|2,0,0]=3 419 B9R1.2 CNc1cccc(c1)O 271570a_203496583355_100000219648 [1,0,0,0,0,0|1,0,0]=2 420 B9R1.2 CNc1cccc(c1)O 34a_100000210217_200000210301 [1,0,0,0,0,0|1,0,0]=2 421 B9R1.2 CNc1cccc(n1)F 27a_100102657272_100009815982 [1,0,0,0,0,0|3,0,0]=4 422 B9R1.2 CNc1cccc(n1)O 271570a_203496583355_100000703281 [1,0,0,0,0,0|2,0,0]=3 423 B9R1.2 CNc1ccnc(c1)C 27a_100102657272_100000758586 [1,0,0,0,0,0|2,0,0]=3 424 B9R1.2 CNc1ccnc(c1)F 27a_100102657272_100009816116 [1,0,0,0,0,0|3,0,0]=4 425 B9R1.2 CNc1ccnc(c1)O 271570a_203496583355_100009869472 [1,0,0,0,0,0|2,0,0]=3 426 B9R1.2 CNc1ccnc(n1)C 27a_100102657272_100000749937 [1,0,0,0,0,0|3,0,0]=4 427 B9R1.2 CNc1ccnc(n1)O 271570a_203496583355_100011649947 [1,0,0,0,0,0|3,0,0]=4 428 B9R1.2 CNc1cncc(c1)O 271570a_203496583355_100012184536 [1,0,0,0,0,0|2,0,0]=3 429 B9R1.2 CNc1cncc(n1)C 27a_100102657272_100000754123 [1,0,0,0,0,0|3,0,0]=4 430 B9R1.2 CNc1cncc(n1)O 271570a_203496583355_100011529438 [1,0,0,0,0,0|3,0,0]=4 431 B9R1.2 CNc1nccc(n1)C 27a_100102657272_100000750684 [1,0,0,0,0,0|3,0,0]=4 432 B9R1.2 CNc1nccc(n1)O 271570a_203496583355_100012000420 [1,0,0,0,0,0|3,0,0]=4 433 B9R1.2 CNc1nccc(n1)O 27a_100102657272_100011649813 [1,0,0,0,0,0|3,0,0]=4 434 B9R1.2 COc1cc(ccn1)O 271570a_203496583355_100000117307 [1,0,0,0,0,0|1,0,0]=2 435 B9R1.2 COc1cc(cnn1)C 34a_100000766097_200000210301 [1,0,0,0,0,0|2,0,0]=3 436 B9R1.2 COc1cc(ncn1)O 271570a_203496583355_100012187182 [1,0,0,0,0,0|2,0,0]=3 437 B9R1.2 COc1cc[nH]c(=O)c1 34a_100000032262_200000210301 [1,0,0,0,0,0|1,0,1]=3 438 B9R1.2 COc1ccc[n+](c1)[O-] 34a_100000039713_200000210301 [1,0,0,0,0,0|1,0,1]=3 439 B9R1.2 COc1ccc[n+](c1)[O-] 7a_100000039713_200000210301 [1,0,0,0,0,0|1,0,1]=3 440 B9R1.2 COc1cccc(=O)[nH]1 34a_100000033347_200000210301 [1,0,0,0,0,0|1,0,1]=3 441 B9R1.2 COc1cccc(c1)Br 34a_100000210342_200000210301 [1,0,0,0,0,0|1,0,0]=2 442 B9R1.2 COc1cccc(c1)Br 7a_100000210342_200000210301 [1,0,0,0,0,0|1,0,0]=2 443 B9R1.2 COc1cccc(c1)C 34a_100000210337_200000210301 [1,0,0,0,0,0|0,0,0]=1 444 B9R1.2 COc1cccc(c1)C 7a_100000210337_200000210301 [1,0,0,0,0,0|0,0,0]=1 445 B9R1.2 COc1cccc(c1)Cl 34a_100000210295_200000210301 [1,0,0,0,0,0|1,0,0]=2 446 B9R1.2 COc1cccc(c1)Cl 7a_100000210295_200000210301 [1,0,0,0,0,0|1,0,0]=2 447 B9R1.2 COc1cccc(c1)F 34a_100000210426_200000210301 [1,0,0,0,0,0|1,0,0]=2 448 B9R1.2 COc1cccc(c1)F 7a_100000210426_200000210301 [1,0,0,0,0,0|1,0,0]=2 449 B9R1.2 COc1cccc(c1)I 34a_100000211634_200000210301 [1,0,0,0,0,0|1,0,0]=2 450 B9R1.2 COc1cccc(c1)I 7a_100000211634_200000210301 [1,0,0,0,0,0|1,0,0]=2 451 B9R1.2 COc1cccc(c1)N 34a_100000210217_200000210301 [1,0,0,0,0,0|1,0,0]=2 452 B9R1.2 COc1cccc(c1)O 271570a_203496583355_100000170001 [1,0,0,0,0,0|0,0,0]=1 453 B9R1.2 COc1cccc(n1)F 34a_100011432558_200000210301 [1,0,0,0,0,0|2,0,0]=3 454 B9R1.2 COc1cccc(n1)O 271570a_203496583355_100000760917 [1,0,0,0,0,0|1,0,0]=2 455 B9R1.2 COc1ccnc(c1)C 34a_100000688365_200000210301 [1,0,0,0,0,0|1,0,0]=2 456 B9R1.2 COc1ccnc(c1)Cl 34a_100000762945_200000210301 [1,0,0,0,0,0|2,0,0]=3 457 B9R1.2 COc1ccnc(c1)F 34a_100000732698_200000210301 [1,0,0,0,0,0|2,0,0]=3 458 B9R1.2 COc1ccnc(c1)N 34a_100011834064_200000210301 [1,0,0,0,0,0|2,0,0]=3 459 B9R1.2 COc1ccnc(c1)O 271570a_203496583355_100011216251 [1,0,0,0,0,0|1,0,0]=2 460 B9R1.2 COc1ccnc(n1)O 271570a_203496583355_100000182009 [1,0,0,0,0,0|2,0,0]=3 461 B9R1.2 COc1cncc(c1)Br 34a_100000754920_200000210301 [1,0,0,0,0,0|2,0,0]=3 462 B9R1.2 COc1cncc(c1)Br 7a_100000754920_200000210301 [1,0,0,0,0,0|2,0,0]=3 463 B9R1.2 COc1cncc(c1)C 34a_100011830280_200000210301 [1,0,0,0,0,0|1,0,0]=2 464 B9R1.2 COc1cncc(c1)C 7a_100011830280_200000210301 [1,0,0,0,0,0|1,0,0]=2 465 B9R1.2 COc1cncc(c1)Cl 7a_100000032511_200000210301 [1,0,0,0,0,0|2,0,0]=3 466 B9R1.2 COc1cncc(c1)F 34a_100011830296_200000210301 [1,0,0,0,0,0|2,0,0]=3 467 B9R1.2 COc1cncc(c1)F 7a_100011830296_200000210301 [1,0,0,0,0,0|2,0,0]=3 468 B9R1.2 COc1cncc(c1)N 34a_100011997051_200000210301 [1,0,0,0,0,0|2,0,0]=3 469 B9R1.2 COc1cncc(c1)O 271570a_203496583355_100000684773 [1,0,0,0,0,0|1,0,0]=2 470 B9R1.2 COc1cncc(n1)O 271570a_203496583355_100000756030 [1,0,0,0,0,0|2,0,0]=3 471 B9R1.2 COc1cnnc(c1)Cl 34a_200010734679_200000210301 [1,0,0,0,0,0|3,0,0]=4 472 B9R1.2 COc1cnnc(c1)N 34a_200015193112_200000210301 [1,0,0,0,0,0|3,0,0]=4 473 B9R1.2 COc1cnnc(c1)O 271570a_203496583355_100000087634 [1,0,0,0,0,0|2,0,0]=3 474 B9R1.2 COc1nccc(n1)O 271570a_203496583355_100000069072 [1,0,0,0,0,0|2,0,0]=3 475 B9R1.2 COc1ncnc(n1)O 271570a_203496583355_200010750123 [1,0,0,0,0,0|3,0,0]=4 476 B9R1.2 CSc1cc(=O)cc[nH]1 62a_100009817434_200000210301 [1,0,0,0,0,0|1,1,1]=4 477 B9R1.2 CSc1cc(ccn1)C 62a_100000750283_200000210301 [1,0,0,0,0,0|1,1,0]=3 478 B9R1.2 CSc1cc(ccn1)C 62a_200000210301_100000750283 [1,0,0,0,0,0|1,1,0]=3 479 B9R1.2 CSc1cc(ccn1)Cl 62a_100010167805_200000210301 [1,0,0,0,0,0|2,1,0]=4 480 B9R1.2 CSc1cc(ccn1)Cl 62a_200000210301_100010167805 [1,0,0,0,0,0|2,1,0]=4 481 B9R1.2 CSc1cc(ccn1)F 62a_100000764206_200000210301 [1,0,0,0,0,0|2,1,0]=4 482 B9R1.2 CSc1cc(ccn1)F 62a_200000210301_100000764206 [1,0,0,0,0,0|2,1,0]=4 483 B9R1.2 CSc1cc(ccn1)N 62a_100009814236_200000210301 [1,0,0,0,0,0|2,1,0]=4 484 B9R1.2 CSc1cc(ccn1)N 62a_200000210301_100009814236 [1,0,0,0,0,0|2,1,0]=4 485 B9R1.2 CSc1cc(ccn1)O 62a_200000210301_100000762945 [1,0,0,0,0,0|1,1,0]=3 486 B9R1.2 CSc1cc(cnn1)C 62a_100000070100_200000210301 [1,0,0,0,0,0|2,1,0]=4 487 B9R1.2 CSc1cc(cnn1)C 62a_200000210301_100000070100 [1,0,0,0,0,0|2,1,0]=4 488 B9R1.2 CSc1cc(cnn1)O 62a_200000210301_200010734679 [1,0,0,0,0,0|2,1,0]=4 489 B9R1.2 CSc1cc(ncn1)C 62a_100000744208_200000210301 [1,0,0,0,0,0|2,1,0]=4 490 B9R1.2 CSc1cc(ncn1)C 62a_200000210301_100000744208 [1,0,0,0,0,0|2,1,0]=4 491 B9R1.2 CSc1cc(ncn1)O 271570a_203496583355_100011443430 [1,0,0,0,0,0|2,1,0]=4 492 B9R1.2 CSc1cc(ncn1)O 62a_200000210301_100000765262 [1,0,0,0,0,0|2,1,0]=4 493 B9R1.2 CSc1cc[nH]c(=O)c1 62a_100009816521_200000210301 [1,0,0,0,0,0|1,1,1]=4 494 B9R1.2 CSc1cc[nH]c(=O)c1 62a_200000210301_100009816521 [1,0,0,0,0,0|1,1,1]=4 495 B9R1.2 CSc1ccc[n+](c1)C 62a_100009996589_200000210301 [1,0,0,0,0,0|1,1,0]=3 496 B9R1.2 CSc1ccc[n+](c1)C 62a_200000210301_100009996589 [1,0,0,0,0,0|1,1,0]=3 497 B9R1.2 CSc1ccc[n+](c1)[O-] 62a_200000210301_100009815978 [1,0,0,0,0,0|1,1,1]=4 498 B9R1.2 CSc1cccc(=O)[nH]1 62a_200000210301_100000752884 [1,0,0,0,0,0|1,1,1]=4 499 B9R1.2 CSc1cccc(c1)Br 62a_100000691529_200000210301 [1,0,0,0,0,0|1,1,0]=3 500 B9R1.2 CSc1cccc(c1)Br 62a_200000210301_100000691529 [1,0,0,0,0,0|1,1,0]=3 501 B9R1.2 CSc1cccc(c1)C 62a_100011215228_200000210301 [1,0,0,0,0,0|0,1,0]=2 502 B9R1.2 CSc1cccc(c1)C 62a_200000210301_100011215228 [1,0,0,0,0,0|0,1,0]=2 503 B9R1.2 CSc1cccc(c1)Cl 62a_100000699651_200000210301 [1,0,0,0,0,0|1,1,0]=3 504 B9R1.2 CSc1cccc(c1)Cl 62a_200000210301_100000699651 [1,0,0,0,0,0|1,1,0]=3 505 B9R1.2 CSc1cccc(c1)F 62a_100000685547_200000210301 [1,0,0,0,0,0|1,1,0]=3 506 B9R1.2 CSc1cccc(c1)F 62a_200000210301_100000685547 [1,0,0,0,0,0|1,1,0]=3 507 B9R1.2 CSc1cccc(c1)N 62a_100000210019_200000210301 [1,0,0,0,0,0|1,1,0]=3 508 B9R1.2 CSc1cccc(c1)N 62a_200000210301_100000210019 [1,0,0,0,0,0|1,1,0]=3 509 B9R1.2 CSc1cccc(c1)O 271570a_203496583355_100011215954 [1,0,0,0,0,0|0,1,0]=2 510 B9R1.2 CSc1cccc(c1)O 62a_200000210301_100000211634 [1,0,0,0,0,0|0,1,0]=2 511 B9R1.2 CSc1cccc(c1)[S] 62a_114929384022_200000210301 [1,0,0,0,0,0|0,2,0]=3 512 B9R1.2 CSc1cccc(c1)[S] 62a_200000210301_114929384022 [1,0,0,0,0,0|0,2,0]=3 513 B9R1.2 CSc1cccc(n1)Br 62a_100000684672_200000210301 [1,0,0,0,0,0|2,1,0]=4 514 B9R1.2 CSc1cccc(n1)Br 62a_200000210301_100000684672 [1,0,0,0,0,0|2,1,0]=4 515 B9R1.2 CSc1cccc(n1)C 62a_100000742759_200000210301 [1,0,0,0,0,0|1,1,0]=3 516 B9R1.2 CSc1cccc(n1)C 62a_200000210301_100000742759 [1,0,0,0,0,0|1,1,0]=3 517 B9R1.2 CSc1cccc(n1)Cl 62a_100000051397_200000210301 [1,0,0,0,0,0|2,1,0]=4 518 B9R1.2 CSc1cccc(n1)Cl 62a_200000210301_100000051397 [1,0,0,0,0,0|2,1,0]=4 519 B9R1.2 CSc1cccc(n1)F 62a_100009815982_200000210301 [1,0,0,0,0,0|2,1,0]=4 520 B9R1.2 CSc1cccc(n1)F 62a_200000210301_100009815982 [1,0,0,0,0,0|2,1,0]=4 521 B9R1.2 CSc1cccc(n1)N 62a_100000740741_200000210301 [1,0,0,0,0,0|2,1,0]=4 522 B9R1.2 CSc1cccc(n1)N 62a_200000210301_100000740741 [1,0,0,0,0,0|2,1,0]=4 523 B9R1.2 CSc1cccc(n1)O 271570a_203496583355_100011960944 [1,0,0,0,0,0|1,1,0]=3 524 B9R1.2 CSc1ccnc(c1)Br 62a_100009814637_200000210301 [1,0,0,0,0,0|2,1,0]=4 525 B9R1.2 CSc1ccnc(c1)Br 62a_200000210301_100009814637 [1,0,0,0,0,0|2,1,0]=4 526 B9R1.2 CSc1ccnc(c1)C 62a_100000758586_200000210301 [1,0,0,0,0,0|1,1,0]=3 527 B9R1.2 CSc1ccnc(c1)C 62a_200000210301_100000758586 [1,0,0,0,0,0|1,1,0]=3 528 B9R1.2 CSc1ccnc(c1)Cl 62a_100000035001_200000210301 [1,0,0,0,0,0|2,1,0]=4 529 B9R1.2 CSc1ccnc(c1)Cl 62a_200000210301_100000035001 [1,0,0,0,0,0|2,1,0]=4 530 B9R1.2 CSc1ccnc(c1)F 62a_100009816116_200000210301 [1,0,0,0,0,0|2,1,0]=4 531 B9R1.2 CSc1ccnc(c1)F 62a_200000210301_100009816116 [1,0,0,0,0,0|2,1,0]=4 532 B9R1.2 CSc1ccnc(c1)N 62a_100000049665_200000210301 [1,0,0,0,0,0|2,1,0]=4 533 B9R1.2 CSc1ccnc(c1)N 62a_200000210301_100000049665 [1,0,0,0,0,0|2,1,0]=4 534 B9R1.2 CSc1ccnc(c1)O 271570a_203496583355_100010883326 [1,0,0,0,0,0|1,1,0]=3 535 B9R1.2 CSc1ccnc(n1)C 62a_100000749937_200000210301 [1,0,0,0,0,0|2,1,0]=4 536 B9R1.2 CSc1ccnc(n1)C 62a_200000210301_100000749937 [1,0,0,0,0,0|2,1,0]=4 537 B9R1.2 CSc1ccnc(n1)O 271570a_203496583355_100011650323 [1,0,0,0,0,0|2,1,0]=4 538 B9R1.2 CSc1cncc(c1)Br 62a_100000728054_200000210301 [1,0,0,0,0,0|2,1,0]=4 539 B9R1.2 CSc1cncc(c1)Br 62a_200000210301_100000728054 [1,0,0,0,0,0|2,1,0]=4 540 B9R1.2 CSc1cncc(c1)C 62a_100000760492_200000210301 [1,0,0,0,0,0|1,1,0]=3 541 B9R1.2 CSc1cncc(c1)C 62a_200000210301_100000760492 [1,0,0,0,0,0|1,1,0]=3 542 B9R1.2 CSc1cncc(c1)Cl 62a_100000049639_200000210301 [1,0,0,0,0,0|2,1,0]=4 543 B9R1.2 CSc1cncc(c1)Cl 62a_200000210301_100000049639 [1,0,0,0,0,0|2,1,0]=4 544 B9R1.2 CSc1cncc(c1)F 62a_100000744099_200000210301 [1,0,0,0,0,0|2,1,0]=4 545 B9R1.2 CSc1cncc(c1)F 62a_200000210301_100000744099 [1,0,0,0,0,0|2,1,0]=4 546 B9R1.2 CSc1cncc(c1)N 62a_100000687067_200000210301 [1,0,0,0,0,0|2,1,0]=4 547 B9R1.2 CSc1cncc(c1)N 62a_200000210301_100000687067 [1,0,0,0,0,0|2,1,0]=4 548 B9R1.2 CSc1cncc(c1)O 271570a_203496583355_100009816972 [1,0,0,0,0,0|1,1,0]=3 549 B9R1.2 CSc1cncc(c1)O 62a_100000754920_200000210301 [1,0,0,0,0,0|1,1,0]=3 550 B9R1.2 CSc1cncc(c1)O 62a_200000210301_100000754920 [1,0,0,0,0,0|1,1,0]=3 551 B9R1.2 CSc1cncc(n1)C 62a_100000754123_200000210301 [1,0,0,0,0,0|2,1,0]=4 552 B9R1.2 CSc1cncc(n1)C 62a_200000210301_100000754123 [1,0,0,0,0,0|2,1,0]=4 553 B9R1.2 CSc1cncc(n1)O 62a_200000210301_100011269956 [1,0,0,0,0,0|2,1,0]=4 554 B9R1.2 CSc1nccc(n1)C 62a_100011243806_200000210301 [1,0,0,0,0,0|2,1,0]=4 555 B9R1.2 CSc1nccc(n1)C 62a_200000210301_100011243806 [1,0,0,0,0,0|2,1,0]=4 556 B9R1.2 CSc1nccc(n1)O 271570a_203496583355_100000032126 [1,0,0,0,0,0|2,1,0]=4 557 B9R1.2 CSc1nccc(n1)O 62a_200000210301_100011649813 [1,0,0,0,0,0|2,1,0]=4 558 B9R1.2 C[n+]1cccc(c1)S[13CH3] 62a_100009996589_200025704644 [1,0,0,0,0,0|1,1,0]=3 559 B9R1.2 C[n+]1cccc(c1)S[13CH3] 62a_200025704644_100009996589 [1,0,0,0,0,0|1,1,0]=3 560 B9R1.2 Cc1cc(ccn1)O[13CH3] 34a_100000688365_200025704644 [1,0,0,0,0,0|1,0,0]=2 561 B9R1.2 Cc1cc(ccn1)S[13CH3] 62a_100000758586_200025704644 [1,0,0,0,0,0|1,1,0]=3 562 B9R1.2 Cc1cc(ccn1)S[13CH3] 62a_200025704644_100000758586 [1,0,0,0,0,0|1,1,0]=3 563 B9R1.2 Cc1cc(ncn1)S[13CH3] 62a_100000744208_200025704644 [1,0,0,0,0,0|2,1,0]=4 564 B9R1.2 Cc1cc(ncn1)S[13CH3] 62a_200025704644_100000744208 [1,0,0,0,0,0|2,1,0]=4 565 B9R1.2 Cc1cccc(c1)N[13CH3] 2230a_100000188690_200025704644 [1,0,0,0,0,0|1,0,0]=2 566 B9R1.2 Cc1cccc(c1)N[13CH3] 34a_100000188690_200025704644 [1,0,0,0,0,0|1,0,0]=2 567 B9R1.2 Cc1cccc(c1)O[13CH3] 34a_100000210337_200025704644 [1,0,0,0,0,0|0,0,0]=1 568 B9R1.2 Cc1cccc(c1)O[13CH3] 7a_100000210337_200025704644 [1,0,0,0,0,0|0,0,0]=1 569 B9R1.2 Cc1cccc(c1)S[13CH3] 62a_100011215228_200025704644 [1,0,0,0,0,0|0,1,0]=2 570 B9R1.2 Cc1cccc(c1)S[13CH3] 62a_200025704644_100011215228 [1,0,0,0,0,0|0,1,0]=2 571 B9R1.2 Cc1cccc(n1)S[13CH3] 62a_100000742759_200025704644 [1,0,0,0,0,0|1,1,0]=3 572 B9R1.2 Cc1cccc(n1)S[13CH3] 62a_200025704644_100000742759 [1,0,0,0,0,0|1,1,0]=3 573 B9R1.2 Cc1ccnc(c1)S[13CH3] 62a_100000750283_200025704644 [1,0,0,0,0,0|1,1,0]=3 574 B9R1.2 Cc1ccnc(c1)S[13CH3] 62a_200025704644_100000750283 [1,0,0,0,0,0|1,1,0]=3 575 B9R1.2 Cc1ccnc(n1)S[13CH3] 62a_100011243806_200025704644 [1,0,0,0,0,0|2,1,0]=4 576 B9R1.2 Cc1ccnc(n1)S[13CH3] 62a_200025704644_100011243806 [1,0,0,0,0,0|2,1,0]=4 577 B9R1.2 Cc1cncc(c1)O[13CH3] 34a_100011830280_200025704644 [1,0,0,0,0,0|1,0,0]=2 578 B9R1.2 Cc1cncc(c1)O[13CH3] 7a_100011830280_200025704644 [1,0,0,0,0,0|1,0,0]=2 579 B9R1.2 Cc1cncc(c1)S[13CH3] 62a_100000760492_200025704644 [1,0,0,0,0,0|1,1,0]=3 580 B9R1.2 Cc1cncc(c1)S[13CH3] 62a_200025704644_100000760492 [1,0,0,0,0,0|1,1,0]=3 581 B9R1.2 Cc1cncc(n1)S[13CH3] 62a_100000754123_200025704644 [1,0,0,0,0,0|2,1,0]=4 582 B9R1.2 Cc1cncc(n1)S[13CH3] 62a_200025704644_100000754123 [1,0,0,0,0,0|2,1,0]=4 583 B9R1.2 Cc1cnnc(c1)O[13CH3] 34a_100000766097_200025704644 [1,0,0,0,0,0|2,0,0]=3 584 B9R1.2 Cc1cnnc(c1)S[13CH3] 62a_100000070100_200025704644 [1,0,0,0,0,0|2,1,0]=4 585 B9R1.2 Cc1cnnc(c1)S[13CH3] 62a_200025704644_100000070100 [1,0,0,0,0,0|2,1,0]=4 586 B9R1.2 Cc1nccc(n1)S[13CH3] 62a_100000749937_200025704644 [1,0,0,0,0,0|2,1,0]=4 587 B9R1.2 Cc1nccc(n1)S[13CH3] 62a_200025704644_100000749937 [1,0,0,0,0,0|2,1,0]=4 588 B9R1.2 N#Cc1cc(ccn1)O 271570a_203496583355_100000685610 [1,0,0,0,0,0|3,0,0]=4 589 B9R1.2 N#Cc1cccc(c1)O 271570a_203496583355_100000189340 [1,0,0,0,0,0|2,0,0]=3 590 B9R1.2 N#Cc1cccc(n1)O 271570a_203496583355_100011934037 [1,0,0,0,0,0|3,0,0]=4 591 B9R1.2 N#Cc1ccnc(c1)O 271570a_203496583355_100011291639 [1,0,0,0,0,0|3,0,0]=4 592 B9R1.2 N#Cc1cncc(c1)O 271570a_203496583355_100000686085 [1,0,0,0,0,0|3,0,0]=4 593 B9R1.2 NCc1cc(ccn1)O 271570a_203496583355_100000085674 [1,0,0,0,0,0|3,0,0]=4 594 B9R1.2 NCc1cccc(c1)O 271570a_203496583355_100000106179 [1,0,0,0,0,0|2,0,0]=3 595 B9R1.2 NCc1cccc(n1)O 271570a_203496583355_100016990191 [1,0,0,0,0,0|3,0,0]=4 596 B9R1.2 NCc1cncc(c1)O 271570a_203496583355_100011249555 [1,0,0,0,0,0|3,0,0]=4 597 B9R1.2 NNc1cc(ccn1)O 271570a_203496583355_100000764631 [1,0,0,0,0,0|3,0,0]=4 598 B9R1.2 NNc1cccc(c1)O 271570a_203496583355_100000217339 [1,0,0,0,0,0|2,0,0]=3 599 B9R1.2 NNc1cccc(n1)O 271570a_203496583355_100009817029 [1,0,0,0,0,0|3,0,0]=4 600 B9R1.2 NNc1cncc(c1)O 271570a_203496583355_100000727789 [1,0,0,0,0,0|3,0,0]=4 601 B9R1.2 O=Cc1cc(ccn1)O 271570a_203496583355_100011998288 [1,0,0,0,0,0|3,0,0]=4 602 B9R1.2 O=Cc1cccc(c1)O 271570a_203496583355_100000014684 [1,0,0,0,0,0|2,0,0]=3 603 B9R1.2 O=Cc1cccc(n1)O 271570a_203496583355_100000688028 [1,0,0,0,0,0|3,0,0]=4 604 B9R1.2 O=Cc1ccnc(c1)O 271570a_203496583355_100011290808 [1,0,0,0,0,0|3,0,0]=4 605 B9R1.2 O=Cc1cncc(c1)O 271570a_203496583355_100000687066 [1,0,0,0,0,0|3,0,0]=4 606 B9R1.2 OCc1cc(ccn1)O 271570a_203496583355_100009819072 [1,0,0,0,0,0|3,0,0]=4 607 B9R1.2 OCc1cccc(c1)O 271570a_203496583355_100000687537 [1,0,0,0,0,0|2,0,0]=3 608 B9R1.2 OCc1cccc(n1)O 271570a_203496583355_100000694195 [1,0,0,0,0,0|3,0,0]=4 609 B9R1.2 OCc1ccnc(c1)O 271570a_203496583355_100009814636 [1,0,0,0,0,0|3,0,0]=4 610 B9R1.2 OCc1cncc(c1)O 271570a_203496583355_100011259137 [1,0,0,0,0,0|3,0,0]=4 611 B9R1.2 Oc1cccc(c1)CF 271570a_203496583355_100010878472 [1,0,0,0,0,0|2,0,0]=3 612 B9R1.2 [13CH3]Nc1cccc(c1)Br 34a_100000210019_200025704644 [1,0,0,0,0,0|2,0,0]=3 613 B9R1.2 [13CH3]Nc1cccc(c1)Cl 34a_100000185859_200025704644 [1,0,0,0,0,0|2,0,0]=3 614 B9R1.2 [13CH3]Nc1cccc(c1)F 34a_100000210047_200025704644 [1,0,0,0,0,0|2,0,0]=3 615 B9R1.2 [13CH3]Nc1cccc(c1)I 34a_100000211102_200025704644 [1,0,0,0,0,0|2,0,0]=3 616 B9R1.2 [13CH3]Nc1cccc(c1)O 34a_100000210217_200025704644 [1,0,0,0,0,0|1,0,0]=2 617 B9R1.2 [13CH3]Oc1cc[nH]c(=O)c1 34a_100000032262_200025704644 [1,0,0,0,0,0|1,0,1]=3 618 B9R1.2 [13CH3]Oc1ccc[n+](c1)[O-] 34a_100000039713_200025704644 [1,0,0,0,0,0|1,0,1]=3 619 B9R1.2 [13CH3]Oc1ccc[n+](c1)[O-] 7a_100000039713_200025704644 [1,0,0,0,0,0|1,0,1]=3 620 B9R1.2 [13CH3]Oc1cccc(=O)[nH]1 34a_100000033347_200025704644 [1,0,0,0,0,0|1,0,1]=3 621 B9R1.2 [13CH3]Oc1cccc(c1)Br 34a_100000210342_200025704644 [1,0,0,0,0,0|1,0,0]=2 622 B9R1.2 [13CH3]Oc1cccc(c1)Br 7a_100000210342_200025704644 [1,0,0,0,0,0|1,0,0]=2 623 B9R1.2 [13CH3]Oc1cccc(c1)Cl 34a_100000210295_200025704644 [1,0,0,0,0,0|1,0,0]=2 624 B9R1.2 [13CH3]Oc1cccc(c1)Cl 7a_100000210295_200025704644 [1,0,0,0,0,0|1,0,0]=2 625 B9R1.2 [13CH3]Oc1cccc(c1)F 34a_100000210426_200025704644 [1,0,0,0,0,0|1,0,0]=2 626 B9R1.2 [13CH3]Oc1cccc(c1)F 7a_100000210426_200025704644 [1,0,0,0,0,0|1,0,0]=2 627 B9R1.2 [13CH3]Oc1cccc(c1)I 34a_100000211634_200025704644 [1,0,0,0,0,0|1,0,0]=2 628 B9R1.2 [13CH3]Oc1cccc(c1)I 7a_100000211634_200025704644 [1,0,0,0,0,0|1,0,0]=2 629 B9R1.2 [13CH3]Oc1cccc(c1)N 34a_100000210217_200025704644 [1,0,0,0,0,0|1,0,0]=2 630 B9R1.2 [13CH3]Oc1cccc(n1)F 34a_100011432558_200025704644 [1,0,0,0,0,0|2,0,0]=3 631 B9R1.2 [13CH3]Oc1ccnc(c1)Cl 34a_100000762945_200025704644 [1,0,0,0,0,0|2,0,0]=3 632 B9R1.2 [13CH3]Oc1ccnc(c1)F 34a_100000732698_200025704644 [1,0,0,0,0,0|2,0,0]=3 633 B9R1.2 [13CH3]Oc1ccnc(c1)N 34a_100011834064_200025704644 [1,0,0,0,0,0|2,0,0]=3 634 B9R1.2 [13CH3]Oc1cncc(c1)Br 34a_100000754920_200025704644 [1,0,0,0,0,0|2,0,0]=3 635 B9R1.2 [13CH3]Oc1cncc(c1)Br 7a_100000754920_200025704644 [1,0,0,0,0,0|2,0,0]=3 636 B9R1.2 [13CH3]Oc1cncc(c1)Cl 7a_100000032511_200025704644 [1,0,0,0,0,0|2,0,0]=3 637 B9R1.2 [13CH3]Oc1cncc(c1)F 34a_100011830296_200025704644 [1,0,0,0,0,0|2,0,0]=3 638 B9R1.2 [13CH3]Oc1cncc(c1)F 7a_100011830296_200025704644 [1,0,0,0,0,0|2,0,0]=3 639 B9R1.2 [13CH3]Oc1cncc(c1)N 34a_100011997051_200025704644 [1,0,0,0,0,0|2,0,0]=3 640 B9R1.2 [13CH3]Oc1cnnc(c1)Cl 34a_200010734679_200025704644 [1,0,0,0,0,0|3,0,0]=4 641 B9R1.2 [13CH3]Oc1cnnc(c1)N 34a_200015193112_200025704644 [1,0,0,0,0,0|3,0,0]=4 642 B9R1.2 [13CH3]Sc1cc(=O)cc[nH]1 62a_100009817434_200025704644 [1,0,0,0,0,0|1,1,1]=4 643 B9R1.2 [13CH3]Sc1cc(ccn1)Cl 62a_100010167805_200025704644 [1,0,0,0,0,0|2,1,0]=4 644 B9R1.2 [13CH3]Sc1cc(ccn1)Cl 62a_200025704644_100010167805 [1,0,0,0,0,0|2,1,0]=4 645 B9R1.2 [13CH3]Sc1cc(ccn1)F 62a_100000764206_200025704644 [1,0,0,0,0,0|2,1,0]=4 646 B9R1.2 [13CH3]Sc1cc(ccn1)F 62a_200025704644_100000764206 [1,0,0,0,0,0|2,1,0]=4 647 B9R1.2 [13CH3]Sc1cc(ccn1)N 62a_100009814236_200025704644 [1,0,0,0,0,0|2,1,0]=4 648 B9R1.2 [13CH3]Sc1cc(ccn1)N 62a_200025704644_100009814236 [1,0,0,0,0,0|2,1,0]=4 649 B9R1.2 [13CH3]Sc1cc(ccn1)O 62a_200025704644_100000762945 [1,0,0,0,0,0|1,1,0]=3 650 B9R1.2 [13CH3]Sc1cc(cnn1)O 62a_200025704644_200010734679 [1,0,0,0,0,0|2,1,0]=4 651 B9R1.2 [13CH3]Sc1cc(ncn1)O 62a_200025704644_100000765262 [1,0,0,0,0,0|2,1,0]=4 652 B9R1.2 [13CH3]Sc1cc[nH]c(=O)c1 62a_100009816521_200025704644 [1,0,0,0,0,0|1,1,1]=4 653 B9R1.2 [13CH3]Sc1cc[nH]c(=O)c1 62a_200025704644_100009816521 [1,0,0,0,0,0|1,1,1]=4 654 B9R1.2 [13CH3]Sc1ccc[n+](c1)[O-] 62a_200025704644_100009815978 [1,0,0,0,0,0|1,1,1]=4 655 B9R1.2 [13CH3]Sc1cccc(=O)[nH]1 62a_200025704644_100000752884 [1,0,0,0,0,0|1,1,1]=4 656 B9R1.2 [13CH3]Sc1cccc(c1)Br 62a_100000691529_200025704644 [1,0,0,0,0,0|1,1,0]=3 657 B9R1.2 [13CH3]Sc1cccc(c1)Br 62a_200025704644_100000691529 [1,0,0,0,0,0|1,1,0]=3 658 B9R1.2 [13CH3]Sc1cccc(c1)Cl 62a_100000699651_200025704644 [1,0,0,0,0,0|1,1,0]=3 659 B9R1.2 [13CH3]Sc1cccc(c1)Cl 62a_200025704644_100000699651 [1,0,0,0,0,0|1,1,0]=3 660 B9R1.2 [13CH3]Sc1cccc(c1)F 62a_100000685547_200025704644 [1,0,0,0,0,0|1,1,0]=3 661 B9R1.2 [13CH3]Sc1cccc(c1)F 62a_200025704644_100000685547 [1,0,0,0,0,0|1,1,0]=3 662 B9R1.2 [13CH3]Sc1cccc(c1)N 62a_100000210019_200025704644 [1,0,0,0,0,0|1,1,0]=3 663 B9R1.2 [13CH3]Sc1cccc(c1)N 62a_200025704644_100000210019 [1,0,0,0,0,0|1,1,0]=3 664 B9R1.2 [13CH3]Sc1cccc(c1)O 62a_200025704644_100000211634 [1,0,0,0,0,0|0,1,0]=2 665 B9R1.2 [13CH3]Sc1cccc(c1)[S] 62a_114929384022_200025704644 [1,0,0,0,0,0|0,2,0]=3 666 B9R1.2 [13CH3]Sc1cccc(c1)[S] 62a_200025704644_114929384022 [1,0,0,0,0,0|0,2,0]=3 667 B9R1.2 [13CH3]Sc1cccc(n1)Br 62a_100000684672_200025704644 [1,0,0,0,0,0|2,1,0]=4 668 B9R1.2 [13CH3]Sc1cccc(n1)Br 62a_200025704644_100000684672 [1,0,0,0,0,0|2,1,0]=4 669 B9R1.2 [13CH3]Sc1cccc(n1)Cl 62a_100000051397_200025704644 [1,0,0,0,0,0|2,1,0]=4 670 B9R1.2 [13CH3]Sc1cccc(n1)Cl 62a_200025704644_100000051397 [1,0,0,0,0,0|2,1,0]=4 671 B9R1.2 [13CH3]Sc1cccc(n1)F 62a_100009815982_200025704644 [1,0,0,0,0,0|2,1,0]=4 672 B9R1.2 [13CH3]Sc1cccc(n1)F 62a_200025704644_100009815982 [1,0,0,0,0,0|2,1,0]=4 673 B9R1.2 [13CH3]Sc1cccc(n1)N 62a_100000740741_200025704644 [1,0,0,0,0,0|2,1,0]=4 674 B9R1.2 [13CH3]Sc1cccc(n1)N 62a_200025704644_100000740741 [1,0,0,0,0,0|2,1,0]=4 675 B9R1.2 [13CH3]Sc1ccnc(c1)Br 62a_100009814637_200025704644 [1,0,0,0,0,0|2,1,0]=4 676 B9R1.2 [13CH3]Sc1ccnc(c1)Br 62a_200025704644_100009814637 [1,0,0,0,0,0|2,1,0]=4 677 B9R1.2 [13CH3]Sc1ccnc(c1)Cl 62a_100000035001_200025704644 [1,0,0,0,0,0|2,1,0]=4 678 B9R1.2 [13CH3]Sc1ccnc(c1)Cl 62a_200025704644_100000035001 [1,0,0,0,0,0|2,1,0]=4 679 B9R1.2 [13CH3]Sc1ccnc(c1)F 62a_100009816116_200025704644 [1,0,0,0,0,0|2,1,0]=4 680 B9R1.2 [13CH3]Sc1ccnc(c1)F 62a_200025704644_100009816116 [1,0,0,0,0,0|2,1,0]=4 681 B9R1.2 [13CH3]Sc1ccnc(c1)N 62a_100000049665_200025704644 [1,0,0,0,0,0|2,1,0]=4 682 B9R1.2 [13CH3]Sc1ccnc(c1)N 62a_200025704644_100000049665 [1,0,0,0,0,0|2,1,0]=4 683 B9R1.2 [13CH3]Sc1cncc(c1)Br 62a_100000728054_200025704644 [1,0,0,0,0,0|2,1,0]=4 684 B9R1.2 [13CH3]Sc1cncc(c1)Br 62a_200025704644_100000728054 [1,0,0,0,0,0|2,1,0]=4 685 B9R1.2 [13CH3]Sc1cncc(c1)Cl 62a_100000049639_200025704644 [1,0,0,0,0,0|2,1,0]=4 686 B9R1.2 [13CH3]Sc1cncc(c1)Cl 62a_200025704644_100000049639 [1,0,0,0,0,0|2,1,0]=4 687 B9R1.2 [13CH3]Sc1cncc(c1)F 62a_100000744099_200025704644 [1,0,0,0,0,0|2,1,0]=4 688 B9R1.2 [13CH3]Sc1cncc(c1)F 62a_200025704644_100000744099 [1,0,0,0,0,0|2,1,0]=4 689 B9R1.2 [13CH3]Sc1cncc(c1)N 62a_100000687067_200025704644 [1,0,0,0,0,0|2,1,0]=4 690 B9R1.2 [13CH3]Sc1cncc(c1)N 62a_200025704644_100000687067 [1,0,0,0,0,0|2,1,0]=4 691 B9R1.2 [13CH3]Sc1cncc(c1)O 62a_100000754920_200025704644 [1,0,0,0,0,0|1,1,0]=3 692 B9R1.2 [13CH3]Sc1cncc(c1)O 62a_200025704644_100000754920 [1,0,0,0,0,0|1,1,0]=3 693 B9R1.2 [13CH3]Sc1cncc(n1)O 62a_200025704644_100011269956 [1,0,0,0,0,0|2,1,0]=4 694 B9R1.2 [13CH3]Sc1nccc(n1)O 62a_200025704644_100011649813 [1,0,0,0,0,0|2,1,0]=4 695 B11R1.9 C=Cc1cc(cc(c1)CC)N 271570a_100011290941_100010074814 [0,1,0,0,0,0|2,0,1]=4 696 B11R1.9 C=Cc1cc(cc(c1)NC)F 271570a_100011290941_106741647397 [0,1,0,0,0,0|2,0,1]=4 697 B11R1.9 C=Cc1cc(cc(c1)OC)Br 271570a_100011290941_100010141301 [0,1,0,0,0,0|1,0,1]=3 698 B11R1.9 C=Cc1cc(cc(c1)OC)C 271570a_100011290941_100010187550 [0,1,0,0,0,0|1,0,1]=3 699 B11R1.9 C=Cc1cc(cc(c1)OC)Cl 271570a_100011290941_100010147680 [0,1,0,0,0,0|1,0,1]=3 700 B11R1.9 C=Cc1cc(cc(c1)OC)F 271570a_100011290941_100011934182 [0,1,0,0,0,0|1,0,1]=3 701 B11R1.9 C=Cc1cc(cc(c1)OC)N 271570a_100011290941_100000750983 [0,1,0,0,0,0|1,0,1]=3 702 B11R1.9 C=Cc1cc(cc(c1)OC)O 271570a_100011290941_100010068927 [0,1,0,0,0,0|1,0,1]=3 703 B11R1.9 C=Cc1cc(cc(c1)SC)C 271570a_100011290941_200010709730 [0,1,0,0,0,0|1,1,1]=4 704 B11R1.9 C=Cc1cc(cc(c1)SC)F 271570a_100011290941_200010245467 [0,1,0,0,0,0|1,1,1]=4 705 B11R1.9 C=Cc1cc(cc(n1)C)OC 271570a_100011290941_200009849800 [0,1,0,0,0,0|2,0,1]=4 706 B11R1.9 C=Cc1cc(cc(n1)N)OC 271570a_100011290941_100010257270 [0,1,0,0,0,0|2,0,1]=4 707 B11R1.9 C=Cc1cc(cc(n1)OC)C 271570a_100011290941_100009856763 [0,1,0,0,0,0|2,0,1]=4 708 B11R1.9 C=Cc1cc(cc(n1)OC)N 271570a_100011290941_100012187057 [0,1,0,0,0,0|2,0,1]=4 709 B11R1.9 C=Cc1cc(nc(c1)OC)C 271570a_100011290941_100010067692 [0,1,0,0,0,0|2,0,1]=4 710 B11R1.9 C=Cc1cc(nc(c1)OC)N 271570a_100011290941_100010136845 [0,1,0,0,0,0|2,0,1]=4 711 B11R1.9 CCc1cc(cc(c1)CC)O 271570a_203496583355_100010187588 [0,1,0,0,0,0|2,0,0]=3 712 B11R1.9 CCc1cc(cc(c1)NC)Br 2230a_100010074814_200000210301 [0,1,0,0,0,0|2,0,0]=3 713 B11R1.9 CCc1cc(cc(c1)NC)Br 34a_100010074814_200000210301 [0,1,0,0,0,0|2,0,0]=3 714 B11R1.9 CCc1cc(cc(c1)NC)Br 7a_100010074814_200000210301 [0,1,0,0,0,0|2,0,0]=3 715 B11R1.9 CCc1cc(cc(c1)NC)C 2230a_100012022893_200000210301 [0,1,0,0,0,0|2,0,0]=3 716 B11R1.9 CCc1cc(cc(c1)NC)C 34a_100012022893_200000210301 [0,1,0,0,0,0|2,0,0]=3 717 B11R1.9 CCc1cc(cc(c1)NC)C 7a_100012022893_200000210301 [0,1,0,0,0,0|2,0,0]=3 718 B11R1.9 CCc1cc(cc(c1)N[13CH3])Br 2230a_100010074814_200025704644 [0,1,0,0,0,0|2,0,0]=3 719 B11R1.9 CCc1cc(cc(c1)N[13CH3])Br 34a_100010074814_200025704644 [0,1,0,0,0,0|2,0,0]=3 720 B11R1.9 CCc1cc(cc(c1)N[13CH3])Br 7a_100010074814_200025704644 [0,1,0,0,0,0|2,0,0]=3 721 B11R1.9 CCc1cc(cc(c1)N[13CH3])C 2230a_100012022893_200025704644 [0,1,0,0,0,0|2,0,0]=3 722 B11R1.9 CCc1cc(cc(c1)N[13CH3])C 34a_100012022893_200025704644 [0,1,0,0,0,0|2,0,0]=3 723 B11R1.9 CCc1cc(cc(c1)N[13CH3])C 7a_100012022893_200025704644 [0,1,0,0,0,0|2,0,0]=3 724 B11R1.9 CCc1cc(cc(c1)SC)N 62a_100010074814_200000210301 [0,1,0,0,0,0|1,1,0]=3 725 B11R1.9 CCc1cc(cc(c1)SC)N 62a_200000210301_100010074814 [0,1,0,0,0,0|1,1,0]=3 726 B11R1.9 CCc1cc(cc(c1)S[13CH3])N 62a_100010074814_200025704644 [0,1,0,0,0,0|1,1,0]=3 727 B11R1.9 CCc1cc(cc(c1)S[13CH3])N 62a_200025704644_100010074814 [0,1,0,0,0,0|1,1,0]=3 728 B11R1.9 CCc1cc(cc(n1)CC)O 271570a_203496583355_100010074970 [0,1,0,0,0,0|3,0,0]=4 729 B11R1.9 CNc1cc(cc(c1)C#N)Br 34a_100012002331_200000210301 [0,1,0,0,0,0|3,0,0]=4 730 B11R1.9 CNc1cc(cc(c1)C#N)Br 7a_100012002331_200000210301 [0,1,0,0,0,0|3,0,0]=4 731 B11R1.9 CNc1cc(cc(c1)C#N)C 34a_100012017395_200000210301 [0,1,0,0,0,0|3,0,0]=4 732 B11R1.9 CNc1cc(cc(c1)C#N)C 7a_100012017395_200000210301 [0,1,0,0,0,0|3,0,0]=4 733 B11R1.9 CNc1cc(cc(c1)C#N)Cl 34a_100000068067_200000210301 [0,1,0,0,0,0|3,0,0]=4 734 B11R1.9 CNc1cc(cc(c1)C#N)Cl 7a_100000068067_200000210301 [0,1,0,0,0,0|3,0,0]=4 735 B11R1.9 CNc1cc(cc(c1)C#N)F 34a_100011362962_200000210301 [0,1,0,0,0,0|3,0,0]=4 736 B11R1.9 CNc1cc(cc(c1)C#N)F 7a_100011362962_200000210301 [0,1,0,0,0,0|3,0,0]=4 737 B11R1.9 CNc1cc(cc(c1)CO)Cl 2230a_100012002482_200000210301 [0,1,0,0,0,0|3,0,0]=4 738 B11R1.9 CNc1cc(cc(c1)CO)Cl 34a_100012002482_200000210301 [0,1,0,0,0,0|3,0,0]=4 739 B11R1.9 CNc1cc(cc(c1)CO)O 2230a_200000124675_200000210301 [0,1,0,0,0,0|3,0,0]=4 740 B11R1.9 CNc1cc(cc(c1)CO)O 34a_200000124675_200000210301 [0,1,0,0,0,0|3,0,0]=4 741 B11R1.9 CNc1cc(cc(c1)OC)Br 34a_100000750983_200000210301 [0,1,0,0,0,0|1,0,0]=2 742 B11R1.9 CNc1cc(cc(c1)OC)Br 7a_100000750983_200000210301 [0,1,0,0,0,0|1,0,0]=2 743 B11R1.9 CNc1cc(cc(c1)OC)C 2230a_100012001870_200000210301 [0,1,0,0,0,0|1,0,0]=2 744 B11R1.9 CNc1cc(cc(c1)OC)C 34a_100012001870_200000210301 [0,1,0,0,0,0|1,0,0]=2 745 B11R1.9 CNc1cc(cc(c1)OC)C 7a_100012001870_200000210301 [0,1,0,0,0,0|1,0,0]=2 746 B11R1.9 CNc1cc(cc(c1)OC)Cl 2230a_100000051436_200000210301 [0,1,0,0,0,0|1,0,0]=2 747 B11R1.9 CNc1cc(cc(c1)OC)Cl 34a_100000051436_200000210301 [0,1,0,0,0,0|1,0,0]=2 748 B11R1.9 CNc1cc(cc(c1)OC)Cl 7a_100000051436_200000210301 [0,1,0,0,0,0|1,0,0]=2 749 B11R1.9 CNc1cc(cc(c1)OC)F 2230a_100000687699_200000210301 [0,1,0,0,0,0|1,0,0]=2 750 B11R1.9 CNc1cc(cc(c1)OC)F 34a_100000687699_200000210301 [0,1,0,0,0,0|1,0,0]=2 751 B11R1.9 CNc1cc(cc(c1)OC)F 7a_100000687699_200000210301 [0,1,0,0,0,0|1,0,0]=2 752 B11R1.9 CNc1cc(cc(c1)OC)O 34a_200000692186_200000210301 [0,1,0,0,0,0|1,0,0]=2 753 B11R1.9 CNc1cc(cc(c1)SC)F 62a_106741647397_200000210301 [0,1,0,0,0,0|1,1,0]=3 754 B11R1.9 CNc1cc(cc(c1)SC)F 62a_200000210301_106741647397 [0,1,0,0,0,0|1,1,0]=3 755 B11R1.9 CNc1cc(cc(c1)S[13CH3])F 62a_106741647397_200025704644 [0,1,0,0,0,0|1,1,0]=3 756 B11R1.9 CNc1cc(cc(c1)S[13CH3])F 62a_200025704644_106741647397 [0,1,0,0,0,0|1,1,0]=3 757 B11R1.9 CNc1cc(nc(n1)C)OC 27a_100102657272_100011686313 [0,1,0,0,0,0|3,0,0]=4 758 B11R1.9 CNc1cc(nc(n1)N)OC 27a_100102657272_100010270236 [0,1,0,0,0,0|3,0,0]=4 759 B11R1.9 CNc1nc(cc(n1)OC)C 27a_100102657272_100000755725 [0,1,0,0,0,0|3,0,0]=4 760 B11R1.9 COc1cc(cc(c1)C#N)Br 34a_100012180112_200000210301 [0,1,0,0,0,0|2,0,0]=3 761 B11R1.9 COc1cc(cc(c1)C#N)Br 7a_100012180112_200000210301 [0,1,0,0,0,0|2,0,0]=3 762 B11R1.9 COc1cc(cc(c1)C#N)C 34a_100009849966_200000210301 [0,1,0,0,0,0|2,0,0]=3 763 B11R1.9 COc1cc(cc(c1)C#N)C 7a_100009849966_200000210301 [0,1,0,0,0,0|2,0,0]=3 764 B11R1.9 COc1cc(cc(c1)C#N)Cl 34a_100000724442_200000210301 [0,1,0,0,0,0|2,0,0]=3 765 B11R1.9 COc1cc(cc(c1)C#N)Cl 7a_100000724442_200000210301 [0,1,0,0,0,0|2,0,0]=3 766 B11R1.9 COc1cc(cc(c1)C#N)F 34a_100000732150_200000210301 [0,1,0,0,0,0|2,0,0]=3 767 B11R1.9 COc1cc(cc(c1)C#N)F 7a_100000732150_200000210301 [0,1,0,0,0,0|2,0,0]=3 768 B11R1.9 COc1cc(cc(c1)C#N)O 271570a_203496583355_100011934654 [0,1,0,0,0,0|2,0,0]=3 769 B11R1.9 COc1cc(cc(c1)C=O)O 271570a_203496583355_100009816777 [0,1,0,0,0,0|2,0,0]=3 770 B11R1.9 COc1cc(cc(c1)CN)Cl 34a_107254831445_200000210301 [0,1,0,0,0,0|2,0,0]=3 771 B11R1.9 COc1cc(cc(c1)CN)F 34a_100160469513_200000210301 [0,1,0,0,0,0|2,0,0]=3 772 B11R1.9 COc1cc(cc(c1)CO)N 34a_200000124675_200000210301 [0,1,0,0,0,0|2,0,0]=3 773 B11R1.9 COc1cc(cc(c1)CO)O 271570a_203496583355_100009995317 [0,1,0,0,0,0|2,0,0]=3 774 B11R1.9 COc1cc(cc(c1)N[13CH3])Br 34a_100000750983_200025704644 [0,1,0,0,0,0|1,0,0]=2 775 B11R1.9 COc1cc(cc(c1)N[13CH3])Br 7a_100000750983_200025704644 [0,1,0,0,0,0|1,0,0]=2 776 B11R1.9 COc1cc(cc(c1)N[13CH3])C 2230a_100012001870_200025704644 [0,1,0,0,0,0|1,0,0]=2 777 B11R1.9 COc1cc(cc(c1)N[13CH3])C 34a_100012001870_200025704644 [0,1,0,0,0,0|1,0,0]=2 778 B11R1.9 COc1cc(cc(c1)N[13CH3])C 7a_100012001870_200025704644 [0,1,0,0,0,0|1,0,0]=2 779 B11R1.9 COc1cc(cc(c1)N[13CH3])Cl 2230a_100000051436_200025704644 [0,1,0,0,0,0|1,0,0]=2 780 B11R1.9 COc1cc(cc(c1)N[13CH3])Cl 34a_100000051436_200025704644 [0,1,0,0,0,0|1,0,0]=2 781 B11R1.9 COc1cc(cc(c1)N[13CH3])Cl 7a_100000051436_200025704644 [0,1,0,0,0,0|1,0,0]=2 782 B11R1.9 COc1cc(cc(c1)N[13CH3])F 2230a_100000687699_200025704644 [0,1,0,0,0,0|1,0,0]=2 783 B11R1.9 COc1cc(cc(c1)N[13CH3])F 34a_100000687699_200025704644 [0,1,0,0,0,0|1,0,0]=2 784 B11R1.9 COc1cc(cc(c1)N[13CH3])F 7a_100000687699_200025704644 [0,1,0,0,0,0|1,0,0]=2 785 B11R1.9 COc1cc(cc(c1)N[13CH3])O 34a_200000692186_200025704644 [0,1,0,0,0,0|1,0,0]=2 786 B11R1.9 COc1cc(cc(c1)OC)Br 34a_100010068927_200000210301 [0,1,0,0,0,0|0,0,0]=1 787 B11R1.9 COc1cc(cc(c1)OC)Br 7a_100010068927_200000210301 [0,1,0,0,0,0|0,0,0]=1 788 B11R1.9 COc1cc(cc(c1)OC)C 34a_100011216608_200000210301 [0,1,0,0,0,0|0,0,0]=1 789 B11R1.9 COc1cc(cc(c1)OC)C 7a_100011216608_200000210301 [0,1,0,0,0,0|0,0,0]=1 790 B11R1.9 COc1cc(cc(c1)OC)Cl 34a_100000051430_200000210301 [0,1,0,0,0,0|0,0,0]=1 791 B11R1.9 COc1cc(cc(c1)OC)Cl 7a_100000051430_200000210301 [0,1,0,0,0,0|0,0,0]=1 792 B11R1.9 COc1cc(cc(c1)OC)F 34a_100011369910_200000210301 [0,1,0,0,0,0|0,0,0]=1 793 B11R1.9 COc1cc(cc(c1)OC)F 7a_100011369910_200000210301 [0,1,0,0,0,0|0,0,0]=1 794 B11R1.9 COc1cc(cc(c1)OC)N 34a_200000692186_200000210301 [0,1,0,0,0,0|0,0,0]=1 795 B11R1.9 COc1cc(cc(c1)OC)N 7a_200000692186_200000210301 [0,1,0,0,0,0|0,0,0]=1 796 B11R1.9 COc1cc(cc(c1)OC)O 271570a_203496583355_100000685218 [0,1,0,0,0,0|0,0,0]=1 797 B11R1.9 COc1cc(cc(c1)O[13CH3])Br 34a_100010068927_200025704644 [0,1,0,0,0,0|0,0,0]=1 798 B11R1.9 COc1cc(cc(c1)O[13CH3])Br 7a_100010068927_200025704644 [0,1,0,0,0,0|0,0,0]=1 799 B11R1.9 COc1cc(cc(c1)O[13CH3])C 34a_100011216608_200025704644 [0,1,0,0,0,0|0,0,0]=1 800 B11R1.9 COc1cc(cc(c1)O[13CH3])C 7a_100011216608_200025704644 [0,1,0,0,0,0|0,0,0]=1 801 B11R1.9 COc1cc(cc(c1)O[13CH3])Cl 34a_100000051430_200025704644 [0,1,0,0,0,0|0,0,0]=1 802 B11R1.9 COc1cc(cc(c1)O[13CH3])Cl 7a_100000051430_200025704644 [0,1,0,0,0,0|0,0,0]=1 803 B11R1.9 COc1cc(cc(c1)O[13CH3])F 34a_100011369910_200025704644 [0,1,0,0,0,0|0,0,0]=1 804 B11R1.9 COc1cc(cc(c1)O[13CH3])F 7a_100011369910_200025704644 [0,1,0,0,0,0|0,0,0]=1 805 B11R1.9 COc1cc(cc(c1)O[13CH3])N 34a_200000692186_200025704644 [0,1,0,0,0,0|0,0,0]=1 806 B11R1.9 COc1cc(cc(c1)O[13CH3])N 7a_200000692186_200025704644 [0,1,0,0,0,0|0,0,0]=1 807 B11R1.9 COc1cc(cc(c1)SC)Br 62a_100010141301_200000210301 [0,1,0,0,0,0|0,1,0]=2 808 B11R1.9 COc1cc(cc(c1)SC)Br 62a_200000210301_100010141301 [0,1,0,0,0,0|0,1,0]=2 809 B11R1.9 COc1cc(cc(c1)SC)C 62a_200000210301_100010187550 [0,1,0,0,0,0|0,1,0]=2 810 B11R1.9 COc1cc(cc(c1)SC)Cl 62a_100010147680_200000210301 [0,1,0,0,0,0|0,1,0]=2 811 B11R1.9 COc1cc(cc(c1)SC)Cl 62a_200000210301_100010147680 [0,1,0,0,0,0|0,1,0]=2 812 B11R1.9 COc1cc(cc(c1)SC)F 62a_100011934182_200000210301 [0,1,0,0,0,0|0,1,0]=2 813 B11R1.9 COc1cc(cc(c1)SC)F 62a_200000210301_100011934182 [0,1,0,0,0,0|0,1,0]=2 814 B11R1.9 COc1cc(cc(c1)SC)N 62a_100000750983_200000210301 [0,1,0,0,0,0|0,1,0]=2 815 B11R1.9 COc1cc(cc(c1)SC)N 62a_200000210301_100000750983 [0,1,0,0,0,0|0,1,0]=2 816 B11R1.9 COc1cc(cc(c1)SC)O 271570a_203496583355_200010709149 [0,1,0,0,0,0|0,1,0]=2 817 B11R1.9 COc1cc(cc(c1)SC)O 62a_200000210301_100010068927 [0,1,0,0,0,0|0,1,0]=2 818 B11R1.9 COc1cc(cc(c1)S[13CH3])Br 62a_100010141301_200025704644 [0,1,0,0,0,0|0,1,0]=2 819 B11R1.9 COc1cc(cc(c1)S[13CH3])Br 62a_200025704644_100010141301 [0,1,0,0,0,0|0,1,0]=2 820 B11R1.9 COc1cc(cc(c1)S[13CH3])C 62a_200025704644_100010187550 [0,1,0,0,0,0|0,1,0]=2 821 B11R1.9 COc1cc(cc(c1)S[13CH3])Cl 62a_100010147680_200025704644 [0,1,0,0,0,0|0,1,0]=2 822 B11R1.9 COc1cc(cc(c1)S[13CH3])Cl 62a_200025704644_100010147680 [0,1,0,0,0,0|0,1,0]=2 823 B11R1.9 COc1cc(cc(c1)S[13CH3])F 62a_100011934182_200025704644 [0,1,0,0,0,0|0,1,0]=2 824 B11R1.9 COc1cc(cc(c1)S[13CH3])F 62a_200025704644_100011934182 [0,1,0,0,0,0|0,1,0]=2 825 B11R1.9 COc1cc(cc(c1)S[13CH3])N 62a_100000750983_200025704644 [0,1,0,0,0,0|0,1,0]=2 826 B11R1.9 COc1cc(cc(c1)S[13CH3])N 62a_200025704644_100000750983 [0,1,0,0,0,0|0,1,0]=2 827 B11R1.9 COc1cc(cc(c1)S[13CH3])O 62a_200025704644_100010068927 [0,1,0,0,0,0|0,1,0]=2 828 B11R1.9 COc1cc(cc(n1)C)SC 62a_100010067692_200000210301 [0,1,0,0,0,0|1,1,0]=3 829 B11R1.9 COc1cc(cc(n1)C)SC 62a_200000210301_100010067692 [0,1,0,0,0,0|1,1,0]=3 830 B11R1.9 COc1cc(cc(n1)C)S[13CH3] 62a_100010067692_200025704644 [0,1,0,0,0,0|1,1,0]=3 831 B11R1.9 COc1cc(cc(n1)C)S[13CH3] 62a_200025704644_100010067692 [0,1,0,0,0,0|1,1,0]=3 832 B11R1.9 COc1cc(cc(n1)N)SC 62a_100010136845_200000210301 [0,1,0,0,0,0|1,1,0]=3 833 B11R1.9 COc1cc(cc(n1)N)SC 62a_200000210301_100010136845 [0,1,0,0,0,0|1,1,0]=3 834 B11R1.9 COc1cc(cc(n1)N)S[13CH3] 62a_100010136845_200025704644 [0,1,0,0,0,0|1,1,0]=3 835 B11R1.9 COc1cc(cc(n1)N)S[13CH3] 62a_200025704644_100010136845 [0,1,0,0,0,0|1,1,0]=3 836 B11R1.9 COc1cc(cc(n1)O)CN 271570a_203496583355_100009841630 [0,1,0,0,0,0|3,0,0]=4 837 B11R1.9 COc1cc(cc(n1)O)CO 271570a_203496583355_200000090696 [0,1,0,0,0,0|3,0,0]=4 838 B11R1.9 COc1cc(cc(n1)SC)C 62a_100009856763_200000210301 [0,1,0,0,0,0|1,1,0]=3 839 B11R1.9 COc1cc(cc(n1)SC)C 62a_200000210301_100009856763 [0,1,0,0,0,0|1,1,0]=3 840 B11R1.9 COc1cc(cc(n1)SC)N 62a_100012187057_200000210301 [0,1,0,0,0,0|1,1,0]=3 841 B11R1.9 COc1cc(cc(n1)SC)N 62a_200000210301_100012187057 [0,1,0,0,0,0|1,1,0]=3 842 B11R1.9 COc1cc(cc(n1)S[13CH3])C 62a_100009856763_200025704644 [0,1,0,0,0,0|1,1,0]=3 843 B11R1.9 COc1cc(cc(n1)S[13CH3])C 62a_200025704644_100009856763 [0,1,0,0,0,0|1,1,0]=3 844 B11R1.9 COc1cc(cc(n1)S[13CH3])N 62a_100012187057_200025704644 [0,1,0,0,0,0|1,1,0]=3 845 B11R1.9 COc1cc(cc(n1)S[13CH3])N 62a_200025704644_100012187057 [0,1,0,0,0,0|1,1,0]=3 846 B11R1.9 COc1cc(nc(c1)C=O)O 271570a_203496583355_200009844316 [0,1,0,0,0,0|3,0,0]=4 847 B11R1.9 COc1cc(nc(c1)OC)O 271570a_203496583355_100010008354 [0,1,0,0,0,0|1,0,0]=2 848 B11R1.9 COc1cc(nc(c1)SC)C 62a_200000210301_200009849800 [0,1,0,0,0,0|1,1,0]=3 849 B11R1.9 COc1cc(nc(c1)SC)C 62a_200009849800_200000210301 [0,1,0,0,0,0|1,1,0]=3 850 B11R1.9 COc1cc(nc(c1)SC)N 62a_100010257270_200000210301 [0,1,0,0,0,0|1,1,0]=3 851 B11R1.9 COc1cc(nc(c1)SC)N 62a_200000210301_100010257270 [0,1,0,0,0,0|1,1,0]=3 852 B11R1.9 COc1cc(nc(c1)S[13CH3])C 62a_200009849800_200025704644 [0,1,0,0,0,0|1,1,0]=3 853 B11R1.9 COc1cc(nc(c1)S[13CH3])C 62a_200025704644_200009849800 [0,1,0,0,0,0|1,1,0]=3 854 B11R1.9 COc1cc(nc(c1)S[13CH3])N 62a_100010257270_200025704644 [0,1,0,0,0,0|1,1,0]=3 855 B11R1.9 COc1cc(nc(c1)S[13CH3])N 62a_200025704644_100010257270 [0,1,0,0,0,0|1,1,0]=3 856 B11R1.9 COc1cc(nc(n1)C)SC 62a_100011686313_200000210301 [0,1,0,0,0,0|2,1,0]=4 857 B11R1.9 COc1cc(nc(n1)C)SC 62a_200000210301_100011686313 [0,1,0,0,0,0|2,1,0]=4 858 B11R1.9 COc1cc(nc(n1)C)S[13CH3] 62a_100011686313_200025704644 [0,1,0,0,0,0|2,1,0]=4 859 B11R1.9 COc1cc(nc(n1)C)S[13CH3] 62a_200025704644_100011686313 [0,1,0,0,0,0|2,1,0]=4 860 B11R1.9 COc1cc(nc(n1)N)SC 62a_100000686185_200000210301 [0,1,0,0,0,0|2,1,0]=4 861 B11R1.9 COc1cc(nc(n1)N)SC 62a_200000210301_100000686185 [0,1,0,0,0,0|2,1,0]=4 862 B11R1.9 COc1cc(nc(n1)N)S[13CH3] 62a_100000686185_200025704644 [0,1,0,0,0,0|2,1,0]=4 863 B11R1.9 COc1cc(nc(n1)N)S[13CH3] 62a_200025704644_100000686185 [0,1,0,0,0,0|2,1,0]=4 864 B11R1.9 COc1cc(nc(n1)O)OC 271570a_203496583355_100000758842 [0,1,0,0,0,0|2,0,0]=3 865 B11R1.9 COc1cc(nc(n1)OC)O 271570a_203496583355_100000038909 [0,1,0,0,0,0|2,0,0]=3 866 B11R1.9 COc1cc(nc(n1)SC)C 62a_100000755725_200000210301 [0,1,0,0,0,0|2,1,0]=4 867 B11R1.9 COc1cc(nc(n1)SC)C 62a_200000210301_100000755725 [0,1,0,0,0,0|2,1,0]=4 868 B11R1.9 COc1cc(nc(n1)SC)O 271570a_203496583355_100012001593 [0,1,0,0,0,0|2,1,0]=4 869 B11R1.9 COc1cc(nc(n1)S[13CH3])C 62a_100000755725_200025704644 [0,1,0,0,0,0|2,1,0]=4 870 B11R1.9 COc1cc(nc(n1)S[13CH3])C 62a_200025704644_100000755725 [0,1,0,0,0,0|2,1,0]=4 871 B11R1.9 COc1nc(cc(n1)SC)N 62a_100000101663_200000210301 [0,1,0,0,0,0|2,1,0]=4 872 B11R1.9 COc1nc(cc(n1)SC)N 62a_200000210301_100000101663 [0,1,0,0,0,0|2,1,0]=4 873 B11R1.9 COc1nc(cc(n1)S[13CH3])N 62a_100000101663_200025704644 [0,1,0,0,0,0|2,1,0]=4 874 B11R1.9 COc1nc(cc(n1)S[13CH3])N 62a_200025704644_100000101663 [0,1,0,0,0,0|2,1,0]=4 875 B11R1.9 COc1nc(nc(n1)OC)O 271570a_203496583355_100000188869 [0,1,0,0,0,0|3,0,0]=4 876 B11R1.9 CSc1cc(cc(c1)C#N)Br 62a_200000210301_100009997436 [0,1,0,0,0,0|2,1,0]=4 877 B11R1.9 CSc1cc(cc(c1)C#N)C 62a_200000210301_100011998626 [0,1,0,0,0,0|2,1,0]=4 878 B11R1.9 CSc1cc(cc(c1)C#N)Cl 62a_200000210301_100009827952 [0,1,0,0,0,0|2,1,0]=4 879 B11R1.9 CSc1cc(cc(c1)C#N)F 62a_200000210301_100000756176 [0,1,0,0,0,0|2,1,0]=4 880 B11R1.9 CSc1cc(cc(c1)C#N)N 62a_200000210301_100012002331 [0,1,0,0,0,0|2,1,0]=4 881 B11R1.9 CSc1cc(cc(c1)C#N)O 62a_200000210301_100012180112 [0,1,0,0,0,0|2,1,0]=4 882 B11R1.9 CSc1cc(cc(c1)C=O)Br 62a_100010185649_200000210301 [0,1,0,0,0,0|2,1,0]=4 883 B11R1.9 CSc1cc(cc(c1)C=O)Br 62a_200000210301_100010185649 [0,1,0,0,0,0|2,1,0]=4 884 B11R1.9 CSc1cc(cc(c1)C=O)C 62a_100000686105_200000210301 [0,1,0,0,0,0|2,1,0]=4 885 B11R1.9 CSc1cc(cc(c1)C=O)C 62a_200000210301_100000686105 [0,1,0,0,0,0|2,1,0]=4 886 B11R1.9 CSc1cc(cc(c1)C=O)F 62a_100011794424_200000210301 [0,1,0,0,0,0|2,1,0]=4 887 B11R1.9 CSc1cc(cc(c1)C=O)F 62a_200000210301_100011794424 [0,1,0,0,0,0|2,1,0]=4 888 B11R1.9 CSc1cc(cc(c1)C=O)O 62a_100010176088_200000210301 [0,1,0,0,0,0|2,1,0]=4 889 B11R1.9 CSc1cc(cc(c1)C=O)O 62a_200000210301_100010176088 [0,1,0,0,0,0|2,1,0]=4 890 B11R1.9 CSc1cc(cc(c1)CN)F 62a_100020611034_200000210301 [0,1,0,0,0,0|2,1,0]=4 891 B11R1.9 CSc1cc(cc(c1)CN)F 62a_200000210301_100020611034 [0,1,0,0,0,0|2,1,0]=4 892 B11R1.9 CSc1cc(cc(c1)CO)Br 62a_100009814756_200000210301 [0,1,0,0,0,0|2,1,0]=4 893 B11R1.9 CSc1cc(cc(c1)CO)Br 62a_200000210301_100009814756 [0,1,0,0,0,0|2,1,0]=4 894 B11R1.9 CSc1cc(cc(c1)CO)C 62a_100000720511_200000210301 [0,1,0,0,0,0|2,1,0]=4 895 B11R1.9 CSc1cc(cc(c1)CO)C 62a_200000210301_100000720511 [0,1,0,0,0,0|2,1,0]=4 896 B11R1.9 CSc1cc(cc(c1)CO)F 62a_100000766897_200000210301 [0,1,0,0,0,0|2,1,0]=4 897 B11R1.9 CSc1cc(cc(c1)CO)F 62a_200000210301_100000766897 [0,1,0,0,0,0|2,1,0]=4 898 B11R1.9 CSc1cc(cc(c1)SC)C 62a_200000210301_200010709730 [0,1,0,0,0,0|0,2,0]=3 899 B11R1.9 CSc1cc(cc(c1)SC)C 62a_200010709730_200000210301 [0,1,0,0,0,0|0,2,0]=3 900 B11R1.9 CSc1cc(cc(c1)SC)F 62a_200000210301_200010245467 [0,1,0,0,0,0|0,2,0]=3 901 B11R1.9 CSc1cc(cc(c1)SC)F 62a_200010245467_200000210301 [0,1,0,0,0,0|0,2,0]=3 902 B11R1.9 CSc1cc(cc(c1)S[13CH3])C 62a_200010709730_200025704644 [0,1,0,0,0,0|0,2,0]=3 903 B11R1.9 CSc1cc(cc(c1)S[13CH3])C 62a_200025704644_200010709730 [0,1,0,0,0,0|0,2,0]=3 904 B11R1.9 CSc1cc(cc(c1)S[13CH3])F 62a_200010245467_200025704644 [0,1,0,0,0,0|0,2,0]=3 905 B11R1.9 CSc1cc(cc(c1)S[13CH3])F 62a_200025704644_200010245467 [0,1,0,0,0,0|0,2,0]=3 906 B11R1.9 Cc1cc(cc(c1)N[13CH3])C#N 34a_100012017395_200025704644 [0,1,0,0,0,0|3,0,0]=4 907 B11R1.9 Cc1cc(cc(c1)N[13CH3])C#N 7a_100012017395_200025704644 [0,1,0,0,0,0|3,0,0]=4 908 B11R1.9 Cc1cc(cc(c1)O[13CH3])C#N 34a_100009849966_200025704644 [0,1,0,0,0,0|2,0,0]=3 909 B11R1.9 Cc1cc(cc(c1)O[13CH3])C#N 7a_100009849966_200025704644 [0,1,0,0,0,0|2,0,0]=3 910 B11R1.9 Cc1cc(cc(c1)S[13CH3])C#N 62a_200025704644_100011998626 [0,1,0,0,0,0|2,1,0]=4 911 B11R1.9 Cc1cc(cc(c1)S[13CH3])C=O 62a_100000686105_200025704644 [0,1,0,0,0,0|2,1,0]=4 912 B11R1.9 Cc1cc(cc(c1)S[13CH3])C=O 62a_200025704644_100000686105 [0,1,0,0,0,0|2,1,0]=4 913 B11R1.9 Cc1cc(cc(c1)S[13CH3])CO 62a_100000720511_200025704644 [0,1,0,0,0,0|2,1,0]=4 914 B11R1.9 Cc1cc(cc(c1)S[13CH3])CO 62a_200025704644_100000720511 [0,1,0,0,0,0|2,1,0]=4 915 B11R1.9 [13CH3]Nc1cc(cc(c1)C#N)Br 34a_100012002331_200025704644 [0,1,0,0,0,0|3,0,0]=4 916 B11R1.9 [13CH3]Nc1cc(cc(c1)C#N)Br 7a_100012002331_200025704644 [0,1,0,0,0,0|3,0,0]=4 917 B11R1.9 [13CH3]Nc1cc(cc(c1)C#N)Cl 34a_100000068067_200025704644 [0,1,0,0,0,0|3,0,0]=4 918 B11R1.9 [13CH3]Nc1cc(cc(c1)C#N)Cl 7a_100000068067_200025704644 [0,1,0,0,0,0|3,0,0]=4 919 B11R1.9 [13CH3]Nc1cc(cc(c1)C#N)F 34a_100011362962_200025704644 [0,1,0,0,0,0|3,0,0]=4 920 B11R1.9 [13CH3]Nc1cc(cc(c1)C#N)F 7a_100011362962_200025704644 [0,1,0,0,0,0|3,0,0]=4 921 B11R1.9 [13CH3]Nc1cc(cc(c1)CO)Cl 2230a_100012002482_200025704644 [0,1,0,0,0,0|3,0,0]=4 922 B11R1.9 [13CH3]Nc1cc(cc(c1)CO)Cl 34a_100012002482_200025704644 [0,1,0,0,0,0|3,0,0]=4 923 B11R1.9 [13CH3]Nc1cc(cc(c1)CO)O 2230a_200000124675_200025704644 [0,1,0,0,0,0|3,0,0]=4 924 B11R1.9 [13CH3]Nc1cc(cc(c1)CO)O 34a_200000124675_200025704644 [0,1,0,0,0,0|3,0,0]=4 925 B11R1.9 [13CH3]Oc1cc(cc(c1)C#N)Br 34a_100012180112_200025704644 [0,1,0,0,0,0|2,0,0]=3 926 B11R1.9 [13CH3]Oc1cc(cc(c1)C#N)Br 7a_100012180112_200025704644 [0,1,0,0,0,0|2,0,0]=3 927 B11R1.9 [13CH3]Oc1cc(cc(c1)C#N)Cl 34a_100000724442_200025704644 [0,1,0,0,0,0|2,0,0]=3 928 B11R1.9 [13CH3]Oc1cc(cc(c1)C#N)Cl 7a_100000724442_200025704644 [0,1,0,0,0,0|2,0,0]=3 929 B11R1.9 [13CH3]Oc1cc(cc(c1)C#N)F 34a_100000732150_200025704644 [0,1,0,0,0,0|2,0,0]=3 930 B11R1.9 [13CH3]Oc1cc(cc(c1)C#N)F 7a_100000732150_200025704644 [0,1,0,0,0,0|2,0,0]=3 931 B11R1.9 [13CH3]Oc1cc(cc(c1)CN)Cl 34a_107254831445_200025704644 [0,1,0,0,0,0|2,0,0]=3 932 B11R1.9 [13CH3]Oc1cc(cc(c1)CN)F 34a_100160469513_200025704644 [0,1,0,0,0,0|2,0,0]=3 933 B11R1.9 [13CH3]Oc1cc(cc(c1)CO)N 34a_200000124675_200025704644 [0,1,0,0,0,0|2,0,0]=3 934 B11R1.9 [13CH3]Sc1cc(cc(c1)C#N)Br 62a_200025704644_100009997436 [0,1,0,0,0,0|2,1,0]=4 935 B11R1.9 [13CH3]Sc1cc(cc(c1)C#N)Cl 62a_200025704644_100009827952 [0,1,0,0,0,0|2,1,0]=4 936 B11R1.9 [13CH3]Sc1cc(cc(c1)C#N)F 62a_200025704644_100000756176 [0,1,0,0,0,0|2,1,0]=4 937 B11R1.9 [13CH3]Sc1cc(cc(c1)C#N)N 62a_200025704644_100012002331 [0,1,0,0,0,0|2,1,0]=4 938 B11R1.9 [13CH3]Sc1cc(cc(c1)C#N)O 62a_200025704644_100012180112 [0,1,0,0,0,0|2,1,0]=4 939 B11R1.9 [13CH3]Sc1cc(cc(c1)C=O)Br 62a_100010185649_200025704644 [0,1,0,0,0,0|2,1,0]=4 940 B11R1.9 [13CH3]Sc1cc(cc(c1)C=O)Br 62a_200025704644_100010185649 [0,1,0,0,0,0|2,1,0]=4 941 B11R1.9 [13CH3]Sc1cc(cc(c1)C=O)F 62a_100011794424_200025704644 [0,1,0,0,0,0|2,1,0]=4 942 B11R1.9 [13CH3]Sc1cc(cc(c1)C=O)F 62a_200025704644_100011794424 [0,1,0,0,0,0|2,1,0]=4 943 B11R1.9 [13CH3]Sc1cc(cc(c1)C=O)O 62a_100010176088_200025704644 [0,1,0,0,0,0|2,1,0]=4 944 B11R1.9 [13CH3]Sc1cc(cc(c1)C=O)O 62a_200025704644_100010176088 [0,1,0,0,0,0|2,1,0]=4 945 B11R1.9 [13CH3]Sc1cc(cc(c1)CN)F 62a_100020611034_200025704644 [0,1,0,0,0,0|2,1,0]=4 946 B11R1.9 [13CH3]Sc1cc(cc(c1)CN)F 62a_200025704644_100020611034 [0,1,0,0,0,0|2,1,0]=4 947 B11R1.9 [13CH3]Sc1cc(cc(c1)CO)Br 62a_100009814756_200025704644 [0,1,0,0,0,0|2,1,0]=4 948 B11R1.9 [13CH3]Sc1cc(cc(c1)CO)Br 62a_200025704644_100009814756 [0,1,0,0,0,0|2,1,0]=4 949 B11R1.9 [13CH3]Sc1cc(cc(c1)CO)F 62a_100000766897_200025704644 [0,1,0,0,0,0|2,1,0]=4 950 B11R1.9 [13CH3]Sc1cc(cc(c1)CO)F 62a_200025704644_100000766897 [0,1,0,0,0,0|2,1,0]=4 951 B11R1.189 C#Cc1cccc(c1)CNC 207a_100102657272_100011361529 [0,1,0,0,0,0|2,0,1]=4 952 B11R1.189 C#Cc1cccc(c1)COC 34a_100010272118_200000210301 [0,1,0,0,0,0|1,0,1]=3 953 B11R1.189 C#Cc1cccc(c1)COC 7a_100010272118_200000210301 [0,1,0,0,0,0|1,0,1]=3 954 B11R1.189 C#Cc1cccc(c1)CO[13CH3] 34a_100010272118_200025704644 [0,1,0,0,0,0|1,0,1]=3 955 B11R1.189 C#Cc1cccc(c1)CO[13CH3] 7a_100010272118_200025704644 [0,1,0,0,0,0|1,0,1]=3 956 B11R1.189 C#Cc1cccc(c1)NCC 2230a_100000735509_100000210202 [0,1,0,0,0,0|2,0,1]=4 957 B11R1.189 C#Cc1cccc(c1)NCC 34a_100000735509_100000210202 [0,1,0,0,0,0|2,0,1]=4 958 B11R1.189 C#Cc1cccc(c1)NCF 34a_100000735509_100015361967 [0,1,0,0,0,0|2,0,1]=4 959 B11R1.189 C#Cc1cccc(c1)OCC 34a_100011216014_100000210202 [0,1,0,0,0,0|1,0,1]=3 960 B11R1.189 C#Cc1cccc(c1)OCC 7a_100011216014_100000210202 [0,1,0,0,0,0|1,0,1]=3 961 B11R1.189 C#Cc1cccc(c1)OCF 34a_100011216014_100015361967 [0,1,0,0,0,0|1,0,1]=3 962 B11R1.189 C#Cc1cccc(c1)OCF 7a_100011216014_100015361967 [0,1,0,0,0,0|1,0,1]=3 963 B11R1.189 C=C=Cc1cc(ccn1)OC 271570a_100015277604_100011216251 [0,1,0,0,0,0|2,0,1]=4 964 B11R1.189 C=C=Cc1cccc(c1)CC 271570a_100015277604_100000684523 [0,1,0,0,0,0|2,0,1]=4 965 B11R1.189 C=C=Cc1cccc(c1)NC 271570a_100015277604_100000219648 [0,1,0,0,0,0|2,0,1]=4 966 B11R1.189 C=C=Cc1cccc(c1)OC 271570a_100015277604_100000170001 [0,1,0,0,0,0|1,0,1]=3 967 B11R1.189 C=C=Cc1cccc(c1)SC 271570a_100015277604_100011215954 [0,1,0,0,0,0|1,1,1]=4 968 B11R1.189 C=C=Cc1cccc(n1)OC 271570a_100015277604_100000760917 [0,1,0,0,0,0|2,0,1]=4 969 B11R1.189 C=C=Cc1ccnc(c1)OC 271570a_100015277604_100000117307 [0,1,0,0,0,0|2,0,1]=4 970 B11R1.189 C=C=Cc1cncc(c1)OC 271570a_100015277604_100000684773 [0,1,0,0,0,0|2,0,1]=4 971 B11R1.189 C=CCc1cccc(c1)SC 62a_100009816576_200000210301 [0,1,0,0,0,0|1,1,1]=4 972 B11R1.189 C=CCc1cccc(c1)SC 62a_200000210301_100009816576 [0,1,0,0,0,0|1,1,1]=4 973 B11R1.189 C=CCc1cccc(c1)S[13CH3] 62a_100009816576_200025704644 [0,1,0,0,0,0|1,1,1]=4 974 B11R1.189 C=CCc1cccc(c1)S[13CH3] 62a_200025704644_100009816576 [0,1,0,0,0,0|1,1,1]=4 975 B11R1.189 C=Cc1cc(ccn1)OCC 271570a_100011290941_100011922638 [0,1,0,0,0,0|2,0,1]=4 976 B11R1.189 C=Cc1cccc(c1)C#CC 271570a_100011290941_200009843338 [0,1,0,0,0,0|2,0,1]=4 977 B11R1.189 C=Cc1cccc(c1)CCC 271570a_100011290941_100000694964 [0,1,0,0,0,0|2,0,1]=4 978 B11R1.189 C=Cc1cccc(c1)CCN 271570a_100011290941_100011207229 [0,1,0,0,0,0|2,0,1]=4 979 B11R1.189 C=Cc1cccc(c1)CCO 271570a_100011290941_100011217444 [0,1,0,0,0,0|2,0,1]=4 980 B11R1.189 C=Cc1cccc(c1)CNC 26a_100102657272_100011309434 [0,1,0,0,0,0|2,0,1]=4 981 B11R1.189 C=Cc1cccc(c1)CNC 270004a_106832991635_100011218069 [0,1,0,0,0,0|2,0,1]=4 982 B11R1.189 C=Cc1cccc(c1)CNC 271570a_100011290941_100000187585 [0,1,0,0,0,0|2,0,1]=4 983 B11R1.189 C=Cc1cccc(c1)COC 271570a_100011290941_100011493687 [0,1,0,0,0,0|1,0,1]=3 984 B11R1.189 C=Cc1cccc(c1)NCC 271570a_100011290941_100000738899 [0,1,0,0,0,0|2,0,1]=4 985 B11R1.189 C=Cc1cccc(c1)NCC 34a_100011827668_100000210202 [0,1,0,0,0,0|2,0,1]=4 986 B11R1.189 C=Cc1cccc(c1)NCF 34a_100011827668_100015361967 [0,1,0,0,0,0|2,0,1]=4 987 B11R1.189 C=Cc1cccc(c1)OCC 271570a_100011290941_100000170002 [0,1,0,0,0,0|1,0,1]=3 988 B11R1.189 C=Cc1cccc(c1)OCC 34a_100011309434_100000210202 [0,1,0,0,0,0|1,0,1]=3 989 B11R1.189 C=Cc1cccc(c1)OCC 7a_100011309434_100000210202 [0,1,0,0,0,0|1,0,1]=3 990 B11R1.189 C=Cc1cccc(c1)OCF 34a_100011309434_100015361967 [0,1,0,0,0,0|1,0,1]=3 991 B11R1.189 C=Cc1cccc(c1)OCF 7a_100011309434_100015361967 [0,1,0,0,0,0|1,0,1]=3 992 B11R1.189 C=Cc1cccc(c1)SCC 271570a_100011290941_100000703699 [0,1,0,0,0,0|1,1,1]=4 993 B11R1.189 C=Cc1cccc(c1)SCC 62a_100000210202_100011215241 [0,1,0,0,0,0|1,1,1]=4 994 B11R1.189 C=Cc1cccc(c1)SCC 62a_100011215241_100000210202 [0,1,0,0,0,0|1,1,1]=4 995 B11R1.189 C=Cc1cccc(c1)SCF 62a_100011215241_100015361967 [0,1,0,0,0,0|1,1,1]=4 996 B11R1.189 C=Cc1cccc(c1)SCF 62a_100015361967_100011215241 [0,1,0,0,0,0|1,1,1]=4 997 B11R1.189 C=Cc1cccc(n1)OCC 271570a_100011290941_100000752924 [0,1,0,0,0,0|2,0,1]=4 998 B11R1.189 C=Cc1ccnc(c1)OCC 271570a_100011290941_100009995528 [0,1,0,0,0,0|2,0,1]=4 999 B11R1.189 C=Cc1cncc(c1)OCC 271570a_100011290941_100012029586 [0,1,0,0,0,0|2,0,1]=4 1000 B11R1.189 CC#Cc1cccc(c1)SC 62a_200000210301_200009843338 [0,1,0,0,0,0|1,1,0]=3 1001 B11R1.189 CC#Cc1cccc(c1)S[13CH3] 62a_200025704644_200009843338 [0,1,0,0,0,0|1,1,0]=3 1002 B11R1.189 CC=Cc1cc(ccn1)CC 271570a_100016259895_100009817561 [0,1,0,0,0,0|3,0,0]=4 1003 B11R1.189 CC=Cc1cc(ccn1)NC 271570a_100016259895_100009869472 [0,1,0,0,0,0|3,0,0]=4 1004 B11R1.189 CC=Cc1cc(ccn1)OC 271570a_100016259895_100011216251 [0,1,0,0,0,0|2,0,0]=3 1005 B11R1.189 CC=Cc1cc(ccn1)SC 271570a_100016259895_100010883326 [0,1,0,0,0,0|2,1,0]=4 1006 B11R1.189 CC=Cc1cc(cnn1)OC 271570a_100016259895_100000087634 [0,1,0,0,0,0|3,0,0]=4 1007 B11R1.189 CC=Cc1cc(ncn1)OC 271570a_100016259895_100012187182 [0,1,0,0,0,0|3,0,0]=4 1008 B11R1.189 CC=Cc1cccc(c1)C#N 271570a_100016259895_100000189340 [0,1,0,0,0,0|3,0,0]=4 1009 B11R1.189 CC=Cc1cccc(c1)C=O 271570a_100016259895_100000014684 [0,1,0,0,0,0|3,0,0]=4 1010 B11R1.189 CC=Cc1cccc(c1)CC 271570a_100016259895_100000684523 [0,1,0,0,0,0|2,0,0]=3 1011 B11R1.189 CC=Cc1cccc(c1)CF 271570a_100016259895_100010878472 [0,1,0,0,0,0|3,0,0]=4 1012 B11R1.189 CC=Cc1cccc(c1)CN 271570a_100016259895_100000106179 [0,1,0,0,0,0|3,0,0]=4 1013 B11R1.189 CC=Cc1cccc(c1)CO 271570a_100016259895_100000687537 [0,1,0,0,0,0|3,0,0]=4 1014 B11R1.189 CC=Cc1cccc(c1)NC 271570a_100016259895_100000219648 [0,1,0,0,0,0|2,0,0]=3 1015 B11R1.189 CC=Cc1cccc(c1)NN 271570a_100016259895_100000217339 [0,1,0,0,0,0|3,0,0]=4 1016 B11R1.189 CC=Cc1cccc(c1)OC 271570a_100016259895_100000170001 [0,1,0,0,0,0|1,0,0]=2 1017 B11R1.189 CC=Cc1cccc(c1)SC 271570a_100016259895_100011215954 [0,1,0,0,0,0|1,1,0]=3 1018 B11R1.189 CC=Cc1cccc(n1)CC 271570a_100016259895_100009856026 [0,1,0,0,0,0|3,0,0]=4 1019 B11R1.189 CC=Cc1cccc(n1)NC 271570a_100016259895_100000703281 [0,1,0,0,0,0|3,0,0]=4 1020 B11R1.189 CC=Cc1cccc(n1)OC 271570a_100016259895_100000760917 [0,1,0,0,0,0|2,0,0]=3 1021 B11R1.189 CC=Cc1cccc(n1)SC 271570a_100016259895_100011960944 [0,1,0,0,0,0|2,1,0]=4 1022 B11R1.189 CC=Cc1ccnc(c1)CC 271570a_100016259895_100009820011 [0,1,0,0,0,0|3,0,0]=4 1023 B11R1.189 CC=Cc1ccnc(c1)NC 271570a_100016259895_100009819592 [0,1,0,0,0,0|3,0,0]=4 1024 B11R1.189 CC=Cc1ccnc(c1)OC 271570a_100016259895_100000117307 [0,1,0,0,0,0|2,0,0]=3 1025 B11R1.189 CC=Cc1ccnc(n1)OC 271570a_100016259895_100000069072 [0,1,0,0,0,0|3,0,0]=4 1026 B11R1.189 CC=Cc1cncc(c1)CC 271570a_100016259895_200009819073 [0,1,0,0,0,0|3,0,0]=4 1027 B11R1.189 CC=Cc1cncc(c1)NC 271570a_100016259895_100012184536 [0,1,0,0,0,0|3,0,0]=4 1028 B11R1.189 CC=Cc1cncc(c1)OC 271570a_100016259895_100000684773 [0,1,0,0,0,0|2,0,0]=3 1029 B11R1.189 CC=Cc1cncc(c1)SC 271570a_100016259895_100009816972 [0,1,0,0,0,0|2,1,0]=4 1030 B11R1.189 CC=Cc1cncc(n1)OC 271570a_100016259895_100000756030 [0,1,0,0,0,0|3,0,0]=4 1031 B11R1.189 CC=Cc1nccc(n1)OC 271570a_100016259895_100000182009 [0,1,0,0,0,0|3,0,0]=4 1032 B11R1.189 CCCc1cccc(c1)OC 34a_100000039106_200000210301 [0,1,0,0,0,0|1,0,0]=2 1033 B11R1.189 CCCc1cccc(c1)OC 7a_100000039106_200000210301 [0,1,0,0,0,0|1,0,0]=2 1034 B11R1.189 CCCc1cccc(c1)O[13CH3] 34a_100000039106_200025704644 [0,1,0,0,0,0|1,0,0]=2 1035 B11R1.189 CCCc1cccc(c1)O[13CH3] 7a_100000039106_200025704644 [0,1,0,0,0,0|1,0,0]=2 1036 B11R1.189 CCCc1cccc(c1)SC 62a_100000694964_200000210301 [0,1,0,0,0,0|1,1,0]=3 1037 B11R1.189 CCCc1cccc(c1)SC 62a_200000210301_100000694964 [0,1,0,0,0,0|1,1,0]=3 1038 B11R1.189 CCCc1cccc(c1)S[13CH3] 62a_100000694964_200025704644 [0,1,0,0,0,0|1,1,0]=3 1039 B11R1.189 CCCc1cccc(c1)S[13CH3] 62a_200025704644_100000694964 [0,1,0,0,0,0|1,1,0]=3 1040 B11R1.189 CCNc1cc(ccn1)CC 27a_100015525214_100009817561 [0,1,0,0,0,0|3,0,0]=4 1041 B11R1.189 CCNc1cc(ncn1)OC 27a_100015525214_100000049997 [0,1,0,0,0,0|3,0,0]=4 1042 B11R1.189 CCNc1cccc(c1)C#N 34a_100000210922_100000210202 [0,1,0,0,0,0|3,0,0]=4 1043 B11R1.189 CCNc1cccc(c1)C#N 7a_100000210922_100000210202 [0,1,0,0,0,0|3,0,0]=4 1044 B11R1.189 CCNc1cccc(c1)CC 2230a_100000211250_100000210202 [0,1,0,0,0,0|2,0,0]=3 1045 B11R1.189 CCNc1cccc(c1)CC 34a_100000211250_100000210202 [0,1,0,0,0,0|2,0,0]=3 1046 B11R1.189 CCNc1cccc(c1)CC 7a_100000211250_100000210202 [0,1,0,0,0,0|2,0,0]=3 1047 B11R1.189 CCNc1cccc(c1)CF 2230a_100000126320_100000210202 [0,1,0,0,0,0|3,0,0]=4 1048 B11R1.189 CCNc1cccc(c1)CF 34a_100000126320_100000210202 [0,1,0,0,0,0|3,0,0]=4 1049 B11R1.189 CCNc1cccc(c1)CF 7a_100000126320_100000210202 [0,1,0,0,0,0|3,0,0]=4 1050 B11R1.189 CCNc1cccc(c1)CO 2230a_100000211919_100000210202 [0,1,0,0,0,0|3,0,0]=4 1051 B11R1.189 CCNc1cccc(c1)CO 34a_100000211919_100000210202 [0,1,0,0,0,0|3,0,0]=4 1052 B11R1.189 CCNc1cccc(c1)OC 34a_100000210024_100000210202 [0,1,0,0,0,0|1,0,0]=2 1053 B11R1.189 CCNc1cccc(c1)OC 34a_100000717746_200000210301 [0,1,0,0,0,0|1,0,0]=2 1054 B11R1.189 CCNc1cccc(c1)OC 7a_100000717746_200000210301 [0,1,0,0,0,0|1,0,0]=2 1055 B11R1.189 CCNc1cccc(c1)O[13CH3] 34a_100000717746_200025704644 [0,1,0,0,0,0|1,0,0]=2 1056 B11R1.189 CCNc1cccc(c1)O[13CH3] 7a_100000717746_200025704644 [0,1,0,0,0,0|1,0,0]=2 1057 B11R1.189 CCNc1cccc(c1)SC 2230a_100000210049_100000210202 [0,1,0,0,0,0|1,1,0]=3 1058 B11R1.189 CCNc1cccc(c1)SC 34a_100000210049_100000210202 [0,1,0,0,0,0|1,1,0]=3 1059 B11R1.189 CCNc1cccc(c1)SC 62a_200000210301_100000738899 [0,1,0,0,0,0|1,1,0]=3 1060 B11R1.189 CCNc1cccc(c1)S[13CH3] 62a_200025704644_100000738899 [0,1,0,0,0,0|1,1,0]=3 1061 B11R1.189 CCNc1cccc(n1)SC 62a_200000210301_200020678610 [0,1,0,0,0,0|2,1,0]=4 1062 B11R1.189 CCNc1cccc(n1)SC 62a_200020678610_200000210301 [0,1,0,0,0,0|2,1,0]=4 1063 B11R1.189 CCNc1cccc(n1)S[13CH3] 62a_200020678610_200025704644 [0,1,0,0,0,0|2,1,0]=4 1064 B11R1.189 CCNc1cccc(n1)S[13CH3] 62a_200025704644_200020678610 [0,1,0,0,0,0|2,1,0]=4 1065 B11R1.189 CCNc1ccnc(c1)CC 27a_100015525214_100009820011 [0,1,0,0,0,0|3,0,0]=4 1066 B11R1.189 CCNc1ccnc(n1)OC 27a_100015525214_100000069072 [0,1,0,0,0,0|3,0,0]=4 1067 B11R1.189 CCNc1cncc(n1)OC 27a_100015525214_100009819700 [0,1,0,0,0,0|3,0,0]=4 1068 B11R1.189 CCNc1nccc(n1)OC 27a_100015525214_100000182009 [0,1,0,0,0,0|3,0,0]=4 1069 B11R1.189 CCOc1cc(ccn1)CN 34a_100000748557_100000210202 [0,1,0,0,0,0|3,0,0]=4 1070 B11R1.189 CCOc1cc(ccn1)SC 62a_100009995528_200000210301 [0,1,0,0,0,0|1,1,0]=3 1071 B11R1.189 CCOc1cc(ccn1)SC 62a_200000210301_100009995528 [0,1,0,0,0,0|1,1,0]=3 1072 B11R1.189 CCOc1cc(ccn1)S[13CH3] 62a_100009995528_200025704644 [0,1,0,0,0,0|1,1,0]=3 1073 B11R1.189 CCOc1cc(ccn1)S[13CH3] 62a_200025704644_100009995528 [0,1,0,0,0,0|1,1,0]=3 1074 B11R1.189 CCOc1cc(ncn1)NC 27a_100102657272_100000765465 [0,1,0,0,0,0|3,0,0]=4 1075 B11R1.189 CCOc1cc(ncn1)SC 62a_100000765465_200000210301 [0,1,0,0,0,0|2,1,0]=4 1076 B11R1.189 CCOc1cc(ncn1)SC 62a_200000210301_100000765465 [0,1,0,0,0,0|2,1,0]=4 1077 B11R1.189 CCOc1cc(ncn1)S[13CH3] 62a_100000765465_200025704644 [0,1,0,0,0,0|2,1,0]=4 1078 B11R1.189 CCOc1cc(ncn1)S[13CH3] 62a_200025704644_100000765465 [0,1,0,0,0,0|2,1,0]=4 1079 B11R1.189 CCOc1ccc[n+](c1)CC 34a_100000731997_100000210202 [0,1,0,0,0,0|2,0,0]=3 1080 B11R1.189 CCOc1ccc[n+](c1)CC 7a_100000731997_100000210202 [0,1,0,0,0,0|2,0,0]=3 1081 B11R1.189 CCOc1cccc(c1)C#N 34a_100000184713_100000210202 [0,1,0,0,0,0|2,0,0]=3 1082 B11R1.189 CCOc1cccc(c1)C#N 7a_100000184713_100000210202 [0,1,0,0,0,0|2,0,0]=3 1083 B11R1.189 CCOc1cccc(c1)CBr 34a_100011660834_100000210202 [0,1,0,0,0,0|2,0,0]=3 1084 B11R1.189 CCOc1cccc(c1)CBr 7a_100011660834_100000210202 [0,1,0,0,0,0|2,0,0]=3 1085 B11R1.189 CCOc1cccc(c1)CC 34a_100000211550_100000210202 [0,1,0,0,0,0|1,0,0]=2 1086 B11R1.189 CCOc1cccc(c1)CC 7a_100000211550_100000210202 [0,1,0,0,0,0|1,0,0]=2 1087 B11R1.189 CCOc1cccc(c1)CCl 34a_100000084143_100000210202 [0,1,0,0,0,0|2,0,0]=3 1088 B11R1.189 CCOc1cccc(c1)CCl 7a_100000084143_100000210202 [0,1,0,0,0,0|2,0,0]=3 1089 B11R1.189 CCOc1cccc(c1)CN 34a_100000743036_100000210202 [0,1,0,0,0,0|2,0,0]=3 1090 B11R1.189 CCOc1cccc(c1)CO 34a_100011214949_100000210202 [0,1,0,0,0,0|2,0,0]=3 1091 B11R1.189 CCOc1cccc(c1)CO 7a_100011214949_100000210202 [0,1,0,0,0,0|2,0,0]=3 1092 B11R1.189 CCOc1cccc(c1)NC 2230a_100000742568_200000210301 [0,1,0,0,0,0|1,0,0]=2 1093 B11R1.189 CCOc1cccc(c1)NC 34a_100000742568_200000210301 [0,1,0,0,0,0|1,0,0]=2 1094 B11R1.189 CCOc1cccc(c1)NC 34a_100000756613_100000210202 [0,1,0,0,0,0|1,0,0]=2 1095 B11R1.189 CCOc1cccc(c1)NC 7a_100000756613_100000210202 [0,1,0,0,0,0|1,0,0]=2 1096 B11R1.189 CCOc1cccc(c1)N[13CH3] 2230a_100000742568_200025704644 [0,1,0,0,0,0|1,0,0]=2 1097 B11R1.189 CCOc1cccc(c1)N[13CH3] 34a_100000742568_200025704644 [0,1,0,0,0,0|1,0,0]=2 1098 B11R1.189 CCOc1cccc(c1)OC 34a_100000211255_100000210202 [0,1,0,0,0,0|0,0,0]=1 1099 B11R1.189 CCOc1cccc(c1)OC 34a_100011215941_200000210301 [0,1,0,0,0,0|0,0,0]=1 1100 B11R1.189 CCOc1cccc(c1)OC 7a_100000211255_100000210202 [0,1,0,0,0,0|0,0,0]=1 1101 B11R1.189 CCOc1cccc(c1)OC 7a_100011215941_200000210301 [0,1,0,0,0,0|0,0,0]=1 1102 B11R1.189 CCOc1cccc(c1)O[13CH3] 34a_100011215941_200025704644 [0,1,0,0,0,0|0,0,0]=1 1103 B11R1.189 CCOc1cccc(c1)O[13CH3] 7a_100011215941_200025704644 [0,1,0,0,0,0|0,0,0]=1 1104 B11R1.189 CCOc1cccc(c1)SC 34a_100011265683_100000210202 [0,1,0,0,0,0|0,1,0]=2 1105 B11R1.189 CCOc1cccc(c1)SC 62a_200000210301_100000170002 [0,1,0,0,0,0|0,1,0]=2 1106 B11R1.189 CCOc1cccc(c1)SC 7a_100011265683_100000210202 [0,1,0,0,0,0|0,1,0]=2 1107 B11R1.189 CCOc1cccc(c1)S[13CH3] 62a_200025704644_100000170002 [0,1,0,0,0,0|0,1,0]=2 1108 B11R1.189 CCOc1cccc(n1)SC 62a_100000752924_200000210301 [0,1,0,0,0,0|1,1,0]=3 1109 B11R1.189 CCOc1cccc(n1)SC 62a_200000210301_100000752924 [0,1,0,0,0,0|1,1,0]=3 1110 B11R1.189 CCOc1cccc(n1)S[13CH3] 62a_100000752924_200025704644 [0,1,0,0,0,0|1,1,0]=3 1111 B11R1.189 CCOc1cccc(n1)S[13CH3] 62a_200025704644_100000752924 [0,1,0,0,0,0|1,1,0]=3 1112 B11R1.189 CCOc1ccnc(c1)C#N 34a_100011777083_100000210202 [0,1,0,0,0,0|3,0,0]=4 1113 B11R1.189 CCOc1ccnc(c1)C#N 7a_100011777083_100000210202 [0,1,0,0,0,0|3,0,0]=4 1114 B11R1.189 CCOc1ccnc(c1)NC 27a_100102657272_100009995529 [0,1,0,0,0,0|2,0,0]=3 1115 B11R1.189 CCOc1ccnc(c1)OC 34a_100012181050_100000210202 [0,1,0,0,0,0|1,0,0]=2 1116 B11R1.189 CCOc1ccnc(c1)SC 62a_100009995529_200000210301 [0,1,0,0,0,0|1,1,0]=3 1117 B11R1.189 CCOc1ccnc(c1)SC 62a_200000210301_100011922638 [0,1,0,0,0,0|1,1,0]=3 1118 B11R1.189 CCOc1ccnc(c1)S[13CH3] 62a_100009995529_200025704644 [0,1,0,0,0,0|1,1,0]=3 1119 B11R1.189 CCOc1ccnc(c1)S[13CH3] 62a_200025704644_100011922638 [0,1,0,0,0,0|1,1,0]=3 1120 B11R1.189 CCOc1ccnc(n1)NC 27a_100102657272_100011649779 [0,1,0,0,0,0|3,0,0]=4 1121 B11R1.189 CCOc1ccnc(n1)SC 62a_100011649779_200000210301 [0,1,0,0,0,0|2,1,0]=4 1122 B11R1.189 CCOc1ccnc(n1)SC 62a_200000210301_100011649779 [0,1,0,0,0,0|2,1,0]=4 1123 B11R1.189 CCOc1ccnc(n1)S[13CH3] 62a_100011649779_200025704644 [0,1,0,0,0,0|2,1,0]=4 1124 B11R1.189 CCOc1ccnc(n1)S[13CH3] 62a_200025704644_100011649779 [0,1,0,0,0,0|2,1,0]=4 1125 B11R1.189 CCOc1cncc(c1)C#N 34a_100012002025_100000210202 [0,1,0,0,0,0|3,0,0]=4 1126 B11R1.189 CCOc1cncc(c1)C#N 7a_100012002025_100000210202 [0,1,0,0,0,0|3,0,0]=4 1127 B11R1.189 CCOc1cncc(c1)CC 34a_200009861530_100000210202 [0,1,0,0,0,0|2,0,0]=3 1128 B11R1.189 CCOc1cncc(c1)CC 7a_200009861530_100000210202 [0,1,0,0,0,0|2,0,0]=3 1129 B11R1.189 CCOc1cncc(c1)OC 34a_100000084572_100000210202 [0,1,0,0,0,0|1,0,0]=2 1130 B11R1.189 CCOc1cncc(c1)OC 7a_100000084572_100000210202 [0,1,0,0,0,0|1,0,0]=2 1131 B11R1.189 CCOc1cncc(c1)SC 62a_100012029586_200000210301 [0,1,0,0,0,0|1,1,0]=3 1132 B11R1.189 CCOc1cncc(c1)SC 62a_200000210301_100012029586 [0,1,0,0,0,0|1,1,0]=3 1133 B11R1.189 CCOc1cncc(c1)S[13CH3] 62a_100012029586_200025704644 [0,1,0,0,0,0|1,1,0]=3 1134 B11R1.189 CCOc1cncc(c1)S[13CH3] 62a_200025704644_100012029586 [0,1,0,0,0,0|1,1,0]=3 1135 B11R1.189 CCOc1cncc(n1)NC 27a_100102657272_100000757043 [0,1,0,0,0,0|3,0,0]=4 1136 B11R1.189 CCOc1cncc(n1)SC 62a_100000757043_200000210301 [0,1,0,0,0,0|2,1,0]=4 1137 B11R1.189 CCOc1cncc(n1)SC 62a_200000210301_100000757043 [0,1,0,0,0,0|2,1,0]=4 1138 B11R1.189 CCOc1cncc(n1)S[13CH3] 62a_100000757043_200025704644 [0,1,0,0,0,0|2,1,0]=4 1139 B11R1.189 CCOc1cncc(n1)S[13CH3] 62a_200025704644_100000757043 [0,1,0,0,0,0|2,1,0]=4 1140 B11R1.189 CCSc1cc(ccn1)CC 62a_100000210202_100009817561 [0,1,0,0,0,0|2,1,0]=4 1141 B11R1.189 CCSc1cc(ccn1)CC 62a_100009817561_100000210202 [0,1,0,0,0,0|2,1,0]=4 1142 B11R1.189 CCSc1cc(ccn1)NC 62a_100000210202_100009869472 [0,1,0,0,0,0|2,1,0]=4 1143 B11R1.189 CCSc1cc(ccn1)NC 62a_100009869472_100000210202 [0,1,0,0,0,0|2,1,0]=4 1144 B11R1.189 CCSc1cc(ccn1)OC 62a_100000210202_100011216251 [0,1,0,0,0,0|1,1,0]=3 1145 B11R1.189 CCSc1cc(ccn1)OC 62a_100009817693_100000210202 [0,1,0,0,0,0|1,1,0]=3 1146 B11R1.189 CCSc1cc(ccn1)SC 62a_100000210202_100010883326 [0,1,0,0,0,0|1,2,0]=4 1147 B11R1.189 CCSc1cc(ccn1)SC 62a_100010883326_100000210202 [0,1,0,0,0,0|1,2,0]=4 1148 B11R1.189 CCSc1cc(cnn1)OC 62a_100000210202_100000087634 [0,1,0,0,0,0|2,1,0]=4 1149 B11R1.189 CCSc1cc(ncn1)OC 62a_100000049997_100000210202 [0,1,0,0,0,0|2,1,0]=4 1150 B11R1.189 CCSc1cc(ncn1)OC 62a_100000210202_100000049997 [0,1,0,0,0,0|2,1,0]=4 1151 B11R1.189 CCSc1cccc(c1)C#N 62a_100000210202_100000189340 [0,1,0,0,0,0|2,1,0]=4 1152 B11R1.189 CCSc1cccc(c1)C=O 62a_100000014684_100000210202 [0,1,0,0,0,0|2,1,0]=4 1153 B11R1.189 CCSc1cccc(c1)C=O 62a_100000210202_100000014684 [0,1,0,0,0,0|2,1,0]=4 1154 B11R1.189 CCSc1cccc(c1)CC 62a_100000210202_100011263222 [0,1,0,0,0,0|1,1,0]=3 1155 B11R1.189 CCSc1cccc(c1)CC 62a_100011263222_100000210202 [0,1,0,0,0,0|1,1,0]=3 1156 B11R1.189 CCSc1cccc(c1)CF 62a_100000210202_100010878472 [0,1,0,0,0,0|2,1,0]=4 1157 B11R1.189 CCSc1cccc(c1)CF 62a_100010878472_100000210202 [0,1,0,0,0,0|2,1,0]=4 1158 B11R1.189 CCSc1cccc(c1)CN 62a_100000106179_100000210202 [0,1,0,0,0,0|2,1,0]=4 1159 B11R1.189 CCSc1cccc(c1)CN 62a_100000210202_100000106179 [0,1,0,0,0,0|2,1,0]=4 1160 B11R1.189 CCSc1cccc(c1)CO 62a_100000210202_100000687537 [0,1,0,0,0,0|2,1,0]=4 1161 B11R1.189 CCSc1cccc(c1)CO 62a_100000687537_100000210202 [0,1,0,0,0,0|2,1,0]=4 1162 B11R1.189 CCSc1cccc(c1)NC 62a_100000210202_100000219648 [0,1,0,0,0,0|1,1,0]=3 1163 B11R1.189 CCSc1cccc(c1)NC 62a_100000219648_100000210202 [0,1,0,0,0,0|1,1,0]=3 1164 B11R1.189 CCSc1cccc(c1)NN 62a_100000210202_100000217339 [0,1,0,0,0,0|2,1,0]=4 1165 B11R1.189 CCSc1cccc(c1)NN 62a_100000217339_100000210202 [0,1,0,0,0,0|2,1,0]=4 1166 B11R1.189 CCSc1cccc(c1)OC 62a_100000210202_100000170001 [0,1,0,0,0,0|0,1,0]=2 1167 B11R1.189 CCSc1cccc(c1)SC 62a_100000210202_100011215954 [0,1,0,0,0,0|0,2,0]=3 1168 B11R1.189 CCSc1cccc(c1)SC 62a_100000703699_200000210301 [0,1,0,0,0,0|0,2,0]=3 1169 B11R1.189 CCSc1cccc(c1)SC 62a_100011215954_100000210202 [0,1,0,0,0,0|0,2,0]=3 1170 B11R1.189 CCSc1cccc(c1)SC 62a_200000210301_100000703699 [0,1,0,0,0,0|0,2,0]=3 1171 B11R1.189 CCSc1cccc(c1)S[13CH3] 62a_100000703699_200025704644 [0,1,0,0,0,0|0,2,0]=3 1172 B11R1.189 CCSc1cccc(c1)S[13CH3] 62a_200025704644_100000703699 [0,1,0,0,0,0|0,2,0]=3 1173 B11R1.189 CCSc1cccc(n1)CC 62a_100000210202_100009856026 [0,1,0,0,0,0|2,1,0]=4 1174 B11R1.189 CCSc1cccc(n1)CC 62a_100009856026_100000210202 [0,1,0,0,0,0|2,1,0]=4 1175 B11R1.189 CCSc1cccc(n1)NC 62a_100000210202_100000703281 [0,1,0,0,0,0|2,1,0]=4 1176 B11R1.189 CCSc1cccc(n1)NC 62a_100000703281_100000210202 [0,1,0,0,0,0|2,1,0]=4 1177 B11R1.189 CCSc1cccc(n1)OC 62a_100000210202_100000760917 [0,1,0,0,0,0|1,1,0]=3 1178 B11R1.189 CCSc1cccc(n1)OC 62a_100000760917_100000210202 [0,1,0,0,0,0|1,1,0]=3 1179 B11R1.189 CCSc1cccc(n1)SC 62a_100000210202_100011960944 [0,1,0,0,0,0|1,2,0]=4 1180 B11R1.189 CCSc1cccc(n1)SC 62a_100011960944_100000210202 [0,1,0,0,0,0|1,2,0]=4 1181 B11R1.189 CCSc1ccnc(c1)CC 62a_100000210202_100009820011 [0,1,0,0,0,0|2,1,0]=4 1182 B11R1.189 CCSc1ccnc(c1)CC 62a_100009820011_100000210202 [0,1,0,0,0,0|2,1,0]=4 1183 B11R1.189 CCSc1ccnc(c1)NC 62a_100000210202_100009819592 [0,1,0,0,0,0|2,1,0]=4 1184 B11R1.189 CCSc1ccnc(c1)NC 62a_100009819592_100000210202 [0,1,0,0,0,0|2,1,0]=4 1185 B11R1.189 CCSc1ccnc(c1)OC 62a_100000117307_100000210202 [0,1,0,0,0,0|1,1,0]=3 1186 B11R1.189 CCSc1ccnc(c1)OC 62a_100000210202_100000117307 [0,1,0,0,0,0|1,1,0]=3 1187 B11R1.189 CCSc1ccnc(n1)OC 62a_100000069072_100000210202 [0,1,0,0,0,0|2,1,0]=4 1188 B11R1.189 CCSc1ccnc(n1)OC 62a_100000210202_100000069072 [0,1,0,0,0,0|2,1,0]=4 1189 B11R1.189 CCSc1cncc(c1)CC 62a_100000210202_200009819073 [0,1,0,0,0,0|2,1,0]=4 1190 B11R1.189 CCSc1cncc(c1)CC 62a_200009819073_100000210202 [0,1,0,0,0,0|2,1,0]=4 1191 B11R1.189 CCSc1cncc(c1)NC 62a_100000210202_100012184536 [0,1,0,0,0,0|2,1,0]=4 1192 B11R1.189 CCSc1cncc(c1)NC 62a_100012184536_100000210202 [0,1,0,0,0,0|2,1,0]=4 1193 B11R1.189 CCSc1cncc(c1)OC 62a_100000050176_100000210202 [0,1,0,0,0,0|1,1,0]=3 1194 B11R1.189 CCSc1cncc(c1)OC 62a_100000210202_100000050176 [0,1,0,0,0,0|1,1,0]=3 1195 B11R1.189 CCSc1cncc(c1)SC 62a_100000210202_100009816972 [0,1,0,0,0,0|1,2,0]=4 1196 B11R1.189 CCSc1cncc(c1)SC 62a_100009816972_100000210202 [0,1,0,0,0,0|1,2,0]=4 1197 B11R1.189 CCSc1cncc(n1)OC 62a_100000210202_100000756030 [0,1,0,0,0,0|2,1,0]=4 1198 B11R1.189 CCSc1cncc(n1)OC 62a_100000756030_100000210202 [0,1,0,0,0,0|2,1,0]=4 1199 B11R1.189 CCSc1nccc(n1)OC 62a_100000182009_100000210202 [0,1,0,0,0,0|2,1,0]=4 1200 B11R1.189 CCSc1nccc(n1)OC 62a_100000210202_100000182009 [0,1,0,0,0,0|2,1,0]=4 1201 B11R1.189 CC[n+]1cccc(c1)OCF 34a_100000731997_100015361967 [0,1,0,0,0,0|2,0,0]=3 1202 B11R1.189 CC[n+]1cccc(c1)OCF 7a_100000731997_100015361967 [0,1,0,0,0,0|2,0,0]=3 1203 B11R1.189 CCc1cc(ccn1)SCF 62a_100009820011_100015361967 [0,1,0,0,0,0|2,1,0]=4 1204 B11R1.189 CCc1cc(ccn1)SCF 62a_100015361967_100009820011 [0,1,0,0,0,0|2,1,0]=4 1205 B11R1.189 CCc1cccc(c1)CNC 207a_100102657272_100011999841 [0,1,0,0,0,0|2,0,0]=3 1206 B11R1.189 CCc1cccc(c1)CNC 26a_100102657272_100000211550 [0,1,0,0,0,0|2,0,0]=3 1207 B11R1.189 CCc1cccc(c1)CNC 270004a_106832991635_100011999841 [0,1,0,0,0,0|2,0,0]=3 1208 B11R1.189 CCc1cccc(c1)NCF 34a_100000211250_100015361967 [0,1,0,0,0,0|2,0,0]=3 1209 B11R1.189 CCc1cccc(c1)NCF 7a_100000211250_100015361967 [0,1,0,0,0,0|2,0,0]=3 1210 B11R1.189 CCc1cccc(c1)OCF 34a_100000211550_100015361967 [0,1,0,0,0,0|1,0,0]=2 1211 B11R1.189 CCc1cccc(c1)OCF 7a_100000211550_100015361967 [0,1,0,0,0,0|1,0,0]=2 1212 B11R1.189 CCc1cccc(c1)SCF 62a_100011263222_100015361967 [0,1,0,0,0,0|1,1,0]=3 1213 B11R1.189 CCc1cccc(c1)SCF 62a_100015361967_100011263222 [0,1,0,0,0,0|1,1,0]=3 1214 B11R1.189 CCc1cccc(n1)SCF 62a_100009856026_100015361967 [0,1,0,0,0,0|2,1,0]=4 1215 B11R1.189 CCc1cccc(n1)SCF 62a_100015361967_100009856026 [0,1,0,0,0,0|2,1,0]=4 1216 B11R1.189 CCc1ccnc(c1)SCF 62a_100009817561_100015361967 [0,1,0,0,0,0|2,1,0]=4 1217 B11R1.189 CCc1ccnc(c1)SCF 62a_100015361967_100009817561 [0,1,0,0,0,0|2,1,0]=4 1218 B11R1.189 CCc1cncc(c1)OCF 34a_200009861530_100015361967 [0,1,0,0,0,0|2,0,0]=3 1219 B11R1.189 CCc1cncc(c1)OCF 7a_200009861530_100015361967 [0,1,0,0,0,0|2,0,0]=3 1220 B11R1.189 CCc1cncc(c1)SCF 62a_100015361967_200009819073 [0,1,0,0,0,0|2,1,0]=4 1221 B11R1.189 CCc1cncc(c1)SCF 62a_200009819073_100015361967 [0,1,0,0,0,0|2,1,0]=4 1222 B11R1.189 CNCc1cc(ccn1)OC 207a_100102657272_100000087537 [0,1,0,0,0,0|2,0,0]=3 1223 B11R1.189 CNCc1cc(ccn1)OC 2230a_106832991635_100000752681 [0,1,0,0,0,0|2,0,0]=3 1224 B11R1.189 CNCc1cc(ccn1)OC 270004a_106832991635_100000087537 [0,1,0,0,0,0|2,0,0]=3 1225 B11R1.189 CNCc1cc(ccn1)OC 34a_100102657272_100000752681 [0,1,0,0,0,0|2,0,0]=3 1226 B11R1.189 CNCc1cc(ccn1)OC 7a_106832991635_100000752681 [0,1,0,0,0,0|2,0,0]=3 1227 B11R1.189 CNCc1cc(ccn1)SC 62a_100102954512_200000210301 [0,1,0,0,0,0|2,1,0]=4 1228 B11R1.189 CNCc1cc(ccn1)SC 62a_200000210301_100102954512 [0,1,0,0,0,0|2,1,0]=4 1229 B11R1.189 CNCc1cc(ccn1)S[13CH3] 62a_100102954512_200025704644 [0,1,0,0,0,0|2,1,0]=4 1230 B11R1.189 CNCc1cc(ccn1)S[13CH3] 62a_200025704644_100102954512 [0,1,0,0,0,0|2,1,0]=4 1231 B11R1.189 CNCc1cccc(c1)C#N 207a_100102657272_100000241001 [0,1,0,0,0,0|3,0,0]=4 1232 B11R1.189 CNCc1cccc(c1)C#N 2230a_106832991635_100000233786 [0,1,0,0,0,0|3,0,0]=4 1233 B11R1.189 CNCc1cccc(c1)C#N 26a_100102657272_100000184713 [0,1,0,0,0,0|3,0,0]=4 1234 B11R1.189 CNCc1cccc(c1)C#N 270004a_106832991635_100000241001 [0,1,0,0,0,0|3,0,0]=4 1235 B11R1.189 CNCc1cccc(c1)C#N 34a_100000755147_200000210301 [0,1,0,0,0,0|3,0,0]=4 1236 B11R1.189 CNCc1cccc(c1)C#N 34a_100102657272_100000233786 [0,1,0,0,0,0|3,0,0]=4 1237 B11R1.189 CNCc1cccc(c1)C#N 7a_106832991635_100000233786 [0,1,0,0,0,0|3,0,0]=4 1238 B11R1.189 CNCc1cccc(c1)C=O 2230a_106832991635_100009816774 [0,1,0,0,0,0|3,0,0]=4 1239 B11R1.189 CNCc1cccc(c1)C=O 34a_100102657272_100009816774 [0,1,0,0,0,0|3,0,0]=4 1240 B11R1.189 CNCc1cccc(c1)C=O 7a_106832991635_100009816774 [0,1,0,0,0,0|3,0,0]=4 1241 B11R1.189 CNCc1cccc(c1)CBr 26a_100102657272_100011660834 [0,1,0,0,0,0|3,0,0]=4 1242 B11R1.189 CNCc1cccc(c1)CCl 26a_100102657272_100000084143 [0,1,0,0,0,0|3,0,0]=4 1243 B11R1.189 CNCc1cccc(c1)CO 207a_100102657272_200000050894 [0,1,0,0,0,0|3,0,0]=4 1244 B11R1.189 CNCc1cccc(c1)CO 2230a_100011269909_200000210301 [0,1,0,0,0,0|3,0,0]=4 1245 B11R1.189 CNCc1cccc(c1)CO 2230a_106832991635_100010188025 [0,1,0,0,0,0|3,0,0]=4 1246 B11R1.189 CNCc1cccc(c1)CO 26a_100102657272_100011214949 [0,1,0,0,0,0|3,0,0]=4 1247 B11R1.189 CNCc1cccc(c1)CO 270004a_106832991635_200000050894 [0,1,0,0,0,0|3,0,0]=4 1248 B11R1.189 CNCc1cccc(c1)CO 34a_100011269909_200000210301 [0,1,0,0,0,0|3,0,0]=4 1249 B11R1.189 CNCc1cccc(c1)CO 34a_100102657272_100010188025 [0,1,0,0,0,0|3,0,0]=4 1250 B11R1.189 CNCc1cccc(c1)CO 7a_106832991635_100010188025 [0,1,0,0,0,0|3,0,0]=4 1251 B11R1.189 CNCc1cccc(c1)OC 207a_100102657272_100000170238 [0,1,0,0,0,0|1,0,0]=2 1252 B11R1.189 CNCc1cccc(c1)OC 2230a_100000174954_200000210301 [0,1,0,0,0,0|1,0,0]=2 1253 B11R1.189 CNCc1cccc(c1)OC 2230a_106832991635_100000211672 [0,1,0,0,0,0|1,0,0]=2 1254 B11R1.189 CNCc1cccc(c1)OC 26a_100102657272_100000211255 [0,1,0,0,0,0|1,0,0]=2 1255 B11R1.189 CNCc1cccc(c1)OC 270004a_106832991635_100000170238 [0,1,0,0,0,0|1,0,0]=2 1256 B11R1.189 CNCc1cccc(c1)OC 34a_100000174954_200000210301 [0,1,0,0,0,0|1,0,0]=2 1257 B11R1.189 CNCc1cccc(c1)OC 34a_100000207540_200000210301 [0,1,0,0,0,0|1,0,0]=2 1258 B11R1.189 CNCc1cccc(c1)OC 34a_100102657272_100000688526 [0,1,0,0,0,0|1,0,0]=2 1259 B11R1.189 CNCc1cccc(c1)OC 7a_106832991635_100000211672 [0,1,0,0,0,0|1,0,0]=2 1260 B11R1.189 CNCc1cccc(c1)O[13CH3] 34a_100000207540_200025704644 [0,1,0,0,0,0|1,0,0]=2 1261 B11R1.189 CNCc1cccc(c1)SC 207a_100102657272_100011935093 [0,1,0,0,0,0|1,1,0]=3 1262 B11R1.189 CNCc1cccc(c1)SC 26a_100102657272_100011265683 [0,1,0,0,0,0|1,1,0]=3 1263 B11R1.189 CNCc1cccc(c1)SC 270004a_106832991635_100011935093 [0,1,0,0,0,0|1,1,0]=3 1264 B11R1.189 CNCc1cccc(c1)SC 62a_100000187585_200000210301 [0,1,0,0,0,0|1,1,0]=3 1265 B11R1.189 CNCc1cccc(c1)SC 62a_200000210301_100000187585 [0,1,0,0,0,0|1,1,0]=3 1266 B11R1.189 CNCc1cccc(c1)S[13CH3] 62a_100000187585_200025704644 [0,1,0,0,0,0|1,1,0]=3 1267 B11R1.189 CNCc1cccc(c1)S[13CH3] 62a_200025704644_100000187585 [0,1,0,0,0,0|1,1,0]=3 1268 B11R1.189 CNCc1cccc(n1)OC 207a_100102657272_100000694346 [0,1,0,0,0,0|2,0,0]=3 1269 B11R1.189 CNCc1cccc(n1)OC 2230a_100000746380_200000210301 [0,1,0,0,0,0|2,0,0]=3 1270 B11R1.189 CNCc1cccc(n1)OC 2230a_106832991635_100000755263 [0,1,0,0,0,0|2,0,0]=3 1271 B11R1.189 CNCc1cccc(n1)OC 270004a_106832991635_100000694346 [0,1,0,0,0,0|2,0,0]=3 1272 B11R1.189 CNCc1cccc(n1)OC 34a_100102657272_100000755263 [0,1,0,0,0,0|2,0,0]=3 1273 B11R1.189 CNCc1cccc(n1)OC 7a_106832991635_100000755263 [0,1,0,0,0,0|2,0,0]=3 1274 B11R1.189 CNCc1cccc(n1)SC 62a_106354212997_200000210301 [0,1,0,0,0,0|2,1,0]=4 1275 B11R1.189 CNCc1cccc(n1)SC 62a_200000210301_106354212997 [0,1,0,0,0,0|2,1,0]=4 1276 B11R1.189 CNCc1cccc(n1)S[13CH3] 62a_106354212997_200025704644 [0,1,0,0,0,0|2,1,0]=4 1277 B11R1.189 CNCc1cccc(n1)S[13CH3] 62a_200025704644_106354212997 [0,1,0,0,0,0|2,1,0]=4 1278 B11R1.189 CNCc1ccnc(c1)OC 207a_100102657272_100000050969 [0,1,0,0,0,0|2,0,0]=3 1279 B11R1.189 CNCc1ccnc(c1)OC 2230a_106832991635_100103152439 [0,1,0,0,0,0|2,0,0]=3 1280 B11R1.189 CNCc1ccnc(c1)OC 270004a_106832991635_100000050969 [0,1,0,0,0,0|2,0,0]=3 1281 B11R1.189 CNCc1ccnc(c1)OC 34a_100102657272_100103152439 [0,1,0,0,0,0|2,0,0]=3 1282 B11R1.189 CNCc1ccnc(c1)OC 7a_106832991635_100103152439 [0,1,0,0,0,0|2,0,0]=3 1283 B11R1.189 CNCc1cncc(c1)OC 207a_100102657272_100011361638 [0,1,0,0,0,0|2,0,0]=3 1284 B11R1.189 CNCc1cncc(c1)OC 2230a_100020589029_200000210301 [0,1,0,0,0,0|2,0,0]=3 1285 B11R1.189 CNCc1cncc(c1)OC 270004a_106832991635_100011361638 [0,1,0,0,0,0|2,0,0]=3 1286 B11R1.189 CNCc1cncc(c1)OC 34a_100020589029_200000210301 [0,1,0,0,0,0|2,0,0]=3 1287 B11R1.189 CNCc1cncc(c1)SC 62a_103549770560_200000210301 [0,1,0,0,0,0|2,1,0]=4 1288 B11R1.189 CNCc1cncc(c1)SC 62a_200000210301_103549770560 [0,1,0,0,0,0|2,1,0]=4 1289 B11R1.189 CNCc1cncc(c1)S[13CH3] 62a_103549770560_200025704644 [0,1,0,0,0,0|2,1,0]=4 1290 B11R1.189 CNCc1cncc(c1)S[13CH3] 62a_200025704644_103549770560 [0,1,0,0,0,0|2,1,0]=4 1291 B11R1.189 CNc1cc(ccn1)SCF 62a_100009819592_100015361967 [0,1,0,0,0,0|2,1,0]=4 1292 B11R1.189 CNc1cc(ccn1)SCF 62a_100015361967_100009819592 [0,1,0,0,0,0|2,1,0]=4 1293 B11R1.189 CNc1cc(ncn1)COC 27a_100102657272_100000688101 [0,1,0,0,0,0|3,0,0]=4 1294 B11R1.189 CNc1cccc(c1)CC#N 2230a_100000017804_200000210301 [0,1,0,0,0,0|2,0,1]=4 1295 B11R1.189 CNc1cccc(c1)CC#N 34a_100000017804_200000210301 [0,1,0,0,0,0|2,0,1]=4 1296 B11R1.189 CNc1cccc(c1)CCO 2230a_100011996697_200000210301 [0,1,0,0,0,0|2,0,0]=3 1297 B11R1.189 CNc1cccc(c1)CCO 34a_100011996697_200000210301 [0,1,0,0,0,0|2,0,0]=3 1298 B11R1.189 CNc1cccc(c1)COC 2230a_100000737370_200000210301 [0,1,0,0,0,0|1,0,0]=2 1299 B11R1.189 CNc1cccc(c1)COC 34a_100000737370_200000210301 [0,1,0,0,0,0|1,0,0]=2 1300 B11R1.189 CNc1cccc(c1)OCF 34a_100000756613_100015361967 [0,1,0,0,0,0|1,0,0]=2 1301 B11R1.189 CNc1cccc(c1)OCF 7a_100000756613_100015361967 [0,1,0,0,0,0|1,0,0]=2 1302 B11R1.189 CNc1cccc(c1)SCF 62a_100000219648_100015361967 [0,1,0,0,0,0|1,1,0]=3 1303 B11R1.189 CNc1cccc(c1)SCF 62a_100015361967_100000219648 [0,1,0,0,0,0|1,1,0]=3 1304 B11R1.189 CNc1cccc(n1)SCF 62a_100000703281_100015361967 [0,1,0,0,0,0|2,1,0]=4 1305 B11R1.189 CNc1cccc(n1)SCF 62a_100015361967_100000703281 [0,1,0,0,0,0|2,1,0]=4 1306 B11R1.189 CNc1ccnc(c1)SCF 62a_100009869472_100015361967 [0,1,0,0,0,0|2,1,0]=4 1307 B11R1.189 CNc1ccnc(c1)SCF 62a_100015361967_100009869472 [0,1,0,0,0,0|2,1,0]=4 1308 B11R1.189 CNc1cncc(c1)SCF 62a_100012184536_100015361967 [0,1,0,0,0,0|2,1,0]=4 1309 B11R1.189 CNc1cncc(c1)SCF 62a_100015361967_100012184536 [0,1,0,0,0,0|2,1,0]=4 1310 B11R1.189 COCc1cc(ccn1)CN 34a_100020589248_200000210301 [0,1,0,0,0,0|3,0,0]=4 1311 B11R1.189 COCc1cc(ccn1)OC 34a_100000749536_200000210301 [0,1,0,0,0,0|1,0,0]=2 1312 B11R1.189 COCc1cc(ccn1)OC 34a_100138415774_100000752681 [0,1,0,0,0,0|1,0,0]=2 1313 B11R1.189 COCc1cc(ncn1)SC 62a_100000688101_200000210301 [0,1,0,0,0,0|2,1,0]=4 1314 B11R1.189 COCc1cc(ncn1)SC 62a_200000210301_100000688101 [0,1,0,0,0,0|2,1,0]=4 1315 B11R1.189 COCc1cc(ncn1)S[13CH3] 62a_100000688101_200025704644 [0,1,0,0,0,0|2,1,0]=4 1316 B11R1.189 COCc1cc(ncn1)S[13CH3] 62a_200025704644_100000688101 [0,1,0,0,0,0|2,1,0]=4 1317 B11R1.189 COCc1cccc(c1)C#N 34a_100000753308_200000210301 [0,1,0,0,0,0|2,0,0]=3 1318 B11R1.189 COCc1cccc(c1)C#N 34a_100138415774_100000233786 [0,1,0,0,0,0|2,0,0]=3 1319 B11R1.189 COCc1cccc(c1)C#N 7a_100000753308_200000210301 [0,1,0,0,0,0|2,0,0]=3 1320 B11R1.189 COCc1cccc(c1)C=O 34a_100138415774_100009816774 [0,1,0,0,0,0|2,0,0]=3 1321 B11R1.189 COCc1cccc(c1)CBr 34a_100010188025_200000210301 [0,1,0,0,0,0|2,0,0]=3 1322 B11R1.189 COCc1cccc(c1)CBr 7a_100010188025_200000210301 [0,1,0,0,0,0|2,0,0]=3 1323 B11R1.189 COCc1cccc(c1)CCl 34a_200000090956_200000210301 [0,1,0,0,0,0|2,0,0]=3 1324 B11R1.189 COCc1cccc(c1)CCl 7a_200000090956_200000210301 [0,1,0,0,0,0|2,0,0]=3 1325 B11R1.189 COCc1cccc(c1)CN 34a_100011269909_200000210301 [0,1,0,0,0,0|2,0,0]=3 1326 B11R1.189 COCc1cccc(c1)CO 34a_100138415774_100010188025 [0,1,0,0,0,0|2,0,0]=3 1327 B11R1.189 COCc1cccc(c1)N[13CH3] 2230a_100000737370_200025704644 [0,1,0,0,0,0|1,0,0]=2 1328 B11R1.189 COCc1cccc(c1)N[13CH3] 34a_100000737370_200025704644 [0,1,0,0,0,0|1,0,0]=2 1329 B11R1.189 COCc1cccc(c1)OC 34a_100000198976_200000210301 [0,1,0,0,0,0|0,0,0]=1 1330 B11R1.189 COCc1cccc(c1)OC 34a_100138415774_100000688526 [0,1,0,0,0,0|0,0,0]=1 1331 B11R1.189 COCc1cccc(c1)SC 62a_100011493687_200000210301 [0,1,0,0,0,0|0,1,0]=2 1332 B11R1.189 COCc1cccc(c1)SC 62a_200000210301_100011493687 [0,1,0,0,0,0|0,1,0]=2 1333 B11R1.189 COCc1cccc(c1)S[13CH3] 62a_100011493687_200025704644 [0,1,0,0,0,0|0,1,0]=2 1334 B11R1.189 COCc1cccc(c1)S[13CH3] 62a_200025704644_100011493687 [0,1,0,0,0,0|0,1,0]=2 1335 B11R1.189 COCc1cccc(n1)C#N 34a_100138415774_100000097530 [0,1,0,0,0,0|3,0,0]=4 1336 B11R1.189 COCc1cccc(n1)C#N 7a_200000085287_200000210301 [0,1,0,0,0,0|3,0,0]=4 1337 B11R1.189 COCc1cccc(n1)CO 34a_100138415774_100009813551 [0,1,0,0,0,0|3,0,0]=4 1338 B11R1.189 COCc1cccc(n1)OC 34a_100138415774_100000755263 [0,1,0,0,0,0|1,0,0]=2 1339 B11R1.189 COCc1ccnc(c1)C#N 7a_100000767107_200000210301 [0,1,0,0,0,0|3,0,0]=4 1340 B11R1.189 COCc1ccnc(c1)OC 34a_100138415774_100103152439 [0,1,0,0,0,0|1,0,0]=2 1341 B11R1.189 COCc1ccnc(n1)SC 7a_100009868414_200000210301 [0,1,0,0,0,0|2,1,0]=4 1342 B11R1.189 COCc1cncc(c1)C#N 34a_100138415774_200020634941 [0,1,0,0,0,0|3,0,0]=4 1343 B11R1.189 COCc1cncc(c1)C#N 7a_100000085282_200000210301 [0,1,0,0,0,0|3,0,0]=4 1344 B11R1.189 COCc1cncc(c1)OC 34a_100000732071_200000210301 [0,1,0,0,0,0|1,0,0]=2 1345 B11R1.189 COc1cc(ccn1)CSC 62a_100103152439_200000210301 [0,1,0,0,0,0|1,1,0]=3 1346 B11R1.189 COc1cc(ccn1)CSC 62a_200000210301_100103152439 [0,1,0,0,0,0|1,1,0]=3 1347 B11R1.189 COc1cc(ccn1)CS[13CH3] 62a_100103152439_200025704644 [0,1,0,0,0,0|1,1,0]=3 1348 B11R1.189 COc1cc(ccn1)CS[13CH3] 62a_200025704644_100103152439 [0,1,0,0,0,0|1,1,0]=3 1349 B11R1.189 COc1cc(ccn1)OCF 34a_100012181050_100015361967 [0,1,0,0,0,0|1,0,0]=2 1350 B11R1.189 COc1cc(ccn1)SCF 62a_100000117307_100015361967 [0,1,0,0,0,0|1,1,0]=3 1351 B11R1.189 COc1cc(ccn1)SCF 62a_100015361967_100000117307 [0,1,0,0,0,0|1,1,0]=3 1352 B11R1.189 COc1cc(ncn1)SCF 62a_100000049997_100015361967 [0,1,0,0,0,0|2,1,0]=4 1353 B11R1.189 COc1cc(ncn1)SCF 62a_100015361967_100000049997 [0,1,0,0,0,0|2,1,0]=4 1354 B11R1.189 COc1cccc(c1)CC#N 7a_100000696680_200000210301 [0,1,0,0,0,0|1,0,1]=3 1355 B11R1.189 COc1cccc(c1)CCN 34a_100000747277_200000210301 [0,1,0,0,0,0|1,0,0]=2 1356 B11R1.189 COc1cccc(c1)CCO 34a_100011215281_200000210301 [0,1,0,0,0,0|1,0,0]=2 1357 B11R1.189 COc1cccc(c1)CCO 7a_100011215281_200000210301 [0,1,0,0,0,0|1,0,0]=2 1358 B11R1.189 COc1cccc(c1)CNN 34a_100000008902_200000210301 [0,1,0,0,0,0|2,0,0]=3 1359 B11R1.189 COc1cccc(c1)CN[13CH3] 2230a_100000174954_200025704644 [0,1,0,0,0,0|1,0,0]=2 1360 B11R1.189 COc1cccc(c1)CN[13CH3] 34a_100000174954_200025704644 [0,1,0,0,0,0|1,0,0]=2 1361 B11R1.189 COc1cccc(c1)CO[13CH3] 34a_100000198976_200025704644 [0,1,0,0,0,0|0,0,0]=1 1362 B11R1.189 COc1cccc(c1)CSC 62a_100000688526_200000210301 [0,1,0,0,0,0|0,1,0]=2 1363 B11R1.189 COc1cccc(c1)CSC 62a_200000210301_100000211672 [0,1,0,0,0,0|0,1,0]=2 1364 B11R1.189 COc1cccc(c1)CS[13CH3] 62a_100000688526_200025704644 [0,1,0,0,0,0|0,1,0]=2 1365 B11R1.189 COc1cccc(c1)CS[13CH3] 62a_200025704644_100000211672 [0,1,0,0,0,0|0,1,0]=2 1366 B11R1.189 COc1cccc(c1)NCF 34a_100000210024_100015361967 [0,1,0,0,0,0|1,0,0]=2 1367 B11R1.189 COc1cccc(c1)OCF 34a_100000211255_100015361967 [0,1,0,0,0,0|0,0,0]=1 1368 B11R1.189 COc1cccc(c1)OCF 7a_100000211255_100015361967 [0,1,0,0,0,0|0,0,0]=1 1369 B11R1.189 COc1cccc(c1)SCF 62a_100015361967_100000170001 [0,1,0,0,0,0|0,1,0]=2 1370 B11R1.189 COc1cccc(n1)CN[13CH3] 2230a_100000746380_200025704644 [0,1,0,0,0,0|2,0,0]=3 1371 B11R1.189 COc1cccc(n1)CSC 62a_100000755263_200000210301 [0,1,0,0,0,0|1,1,0]=3 1372 B11R1.189 COc1cccc(n1)CSC 62a_200000210301_100000755263 [0,1,0,0,0,0|1,1,0]=3 1373 B11R1.189 COc1cccc(n1)CS[13CH3] 62a_100000755263_200025704644 [0,1,0,0,0,0|1,1,0]=3 1374 B11R1.189 COc1cccc(n1)CS[13CH3] 62a_200025704644_100000755263 [0,1,0,0,0,0|1,1,0]=3 1375 B11R1.189 COc1cccc(n1)SCF 62a_100000760917_100015361967 [0,1,0,0,0,0|1,1,0]=3 1376 B11R1.189 COc1cccc(n1)SCF 62a_100015361967_100000760917 [0,1,0,0,0,0|1,1,0]=3 1377 B11R1.189 COc1ccnc(c1)CO[13CH3] 34a_100000749536_200025704644 [0,1,0,0,0,0|1,0,0]=2 1378 B11R1.189 COc1ccnc(c1)CSC 62a_100000752681_200000210301 [0,1,0,0,0,0|1,1,0]=3 1379 B11R1.189 COc1ccnc(c1)CSC 62a_200000210301_100000752681 [0,1,0,0,0,0|1,1,0]=3 1380 B11R1.189 COc1ccnc(c1)CS[13CH3] 62a_100000752681_200025704644 [0,1,0,0,0,0|1,1,0]=3 1381 B11R1.189 COc1ccnc(c1)CS[13CH3] 62a_200025704644_100000752681 [0,1,0,0,0,0|1,1,0]=3 1382 B11R1.189 COc1ccnc(c1)SCF 62a_100009817693_100015361967 [0,1,0,0,0,0|1,1,0]=3 1383 B11R1.189 COc1ccnc(c1)SCF 62a_100015361967_100011216251 [0,1,0,0,0,0|1,1,0]=3 1384 B11R1.189 COc1ccnc(n1)SCF 62a_100000182009_100015361967 [0,1,0,0,0,0|2,1,0]=4 1385 B11R1.189 COc1ccnc(n1)SCF 62a_100015361967_100000182009 [0,1,0,0,0,0|2,1,0]=4 1386 B11R1.189 COc1cncc(c1)CN[13CH3] 2230a_100020589029_200025704644 [0,1,0,0,0,0|2,0,0]=3 1387 B11R1.189 COc1cncc(c1)CN[13CH3] 34a_100020589029_200025704644 [0,1,0,0,0,0|2,0,0]=3 1388 B11R1.189 COc1cncc(c1)CO[13CH3] 34a_100000732071_200025704644 [0,1,0,0,0,0|1,0,0]=2 1389 B11R1.189 COc1cncc(c1)OCF 34a_100000084572_100015361967 [0,1,0,0,0,0|1,0,0]=2 1390 B11R1.189 COc1cncc(c1)OCF 7a_100000084572_100015361967 [0,1,0,0,0,0|1,0,0]=2 1391 B11R1.189 COc1cncc(c1)SCF 62a_100000050176_100015361967 [0,1,0,0,0,0|1,1,0]=3 1392 B11R1.189 COc1cncc(c1)SCF 62a_100015361967_100000050176 [0,1,0,0,0,0|1,1,0]=3 1393 B11R1.189 COc1cncc(n1)SCF 62a_100000756030_100015361967 [0,1,0,0,0,0|2,1,0]=4 1394 B11R1.189 COc1cncc(n1)SCF 62a_100015361967_100000756030 [0,1,0,0,0,0|2,1,0]=4 1395 B11R1.189 COc1cnnc(c1)SCF 62a_100015361967_100000087634 [0,1,0,0,0,0|2,1,0]=4 1396 B11R1.189 COc1nccc(n1)SCF 62a_100000069072_100015361967 [0,1,0,0,0,0|2,1,0]=4 1397 B11R1.189 COc1nccc(n1)SCF 62a_100015361967_100000069072 [0,1,0,0,0,0|2,1,0]=4 1398 B11R1.189 CSCc1cccc(c1)C#N 62a_200000210301_100000233786 [0,1,0,0,0,0|2,1,0]=4 1399 B11R1.189 CSCc1cccc(c1)C=O 62a_100009816774_200000210301 [0,1,0,0,0,0|2,1,0]=4 1400 B11R1.189 CSCc1cccc(c1)C=O 62a_200000210301_100009816774 [0,1,0,0,0,0|2,1,0]=4 1401 B11R1.189 CSCc1cccc(c1)CO 62a_100010188025_200000210301 [0,1,0,0,0,0|2,1,0]=4 1402 B11R1.189 CSCc1cccc(c1)CO 62a_200000210301_100010188025 [0,1,0,0,0,0|2,1,0]=4 1403 B11R1.189 CSc1cccc(c1)CC#N 62a_100000034040_200000210301 [0,1,0,0,0,0|1,1,1]=4 1404 B11R1.189 CSc1cccc(c1)CC#N 62a_200000210301_100000034040 [0,1,0,0,0,0|1,1,1]=4 1405 B11R1.189 CSc1cccc(c1)CC=O 62a_200000210301_200000698211 [0,1,0,0,0,0|1,1,1]=4 1406 B11R1.189 CSc1cccc(c1)CC=O 62a_200000698211_200000210301 [0,1,0,0,0,0|1,1,1]=4 1407 B11R1.189 CSc1cccc(c1)CCN 62a_100011207229_200000210301 [0,1,0,0,0,0|1,1,0]=3 1408 B11R1.189 CSc1cccc(c1)CCN 62a_200000210301_100011207229 [0,1,0,0,0,0|1,1,0]=3 1409 B11R1.189 CSc1cccc(c1)CCO 62a_100011217444_200000210301 [0,1,0,0,0,0|1,1,0]=3 1410 B11R1.189 CSc1cccc(c1)CCO 62a_200000210301_100011217444 [0,1,0,0,0,0|1,1,0]=3 1411 B11R1.189 CSc1cccc(c1)CNN 62a_100000686200_200000210301 [0,1,0,0,0,0|2,1,0]=4 1412 B11R1.189 CSc1cccc(c1)CNN 62a_200000210301_100000686200 [0,1,0,0,0,0|2,1,0]=4 1413 B11R1.189 CSc1cccc(c1)N=[N+]=[N-] 62a_200000210301_100000735707 [0,1,0,0,0,0|2,1,0]=4 1414 B11R1.189 CSc1cccc(c1)NC#N 62a_200000210301_100011685342 [0,1,0,0,0,0|1,1,1]=4 1415 B11R1.189 CSc1cccc(c1)NCF 34a_100000210049_100015361967 [0,1,0,0,0,0|1,1,0]=3 1416 B11R1.189 CSc1cccc(c1)OCF 34a_100011265683_100015361967 [0,1,0,0,0,0|0,1,0]=2 1417 B11R1.189 CSc1cccc(c1)OCF 7a_100011265683_100015361967 [0,1,0,0,0,0|0,1,0]=2 1418 B11R1.189 CSc1cccc(c1)SCF 62a_100011215954_100015361967 [0,1,0,0,0,0|0,2,0]=3 1419 B11R1.189 CSc1cccc(c1)SCF 62a_100015361967_100011215954 [0,1,0,0,0,0|0,2,0]=3 1420 B11R1.189 CSc1cccc(n1)CCO 62a_100010221043_200000210301 [0,1,0,0,0,0|2,1,0]=4 1421 B11R1.189 CSc1cccc(n1)CCO 62a_200000210301_100010221043 [0,1,0,0,0,0|2,1,0]=4 1422 B11R1.189 CSc1cccc(n1)SCF 62a_100011960944_100015361967 [0,1,0,0,0,0|1,2,0]=4 1423 B11R1.189 CSc1cccc(n1)SCF 62a_100015361967_100011960944 [0,1,0,0,0,0|1,2,0]=4 1424 B11R1.189 CSc1ccnc(c1)SCF 62a_100010883326_100015361967 [0,1,0,0,0,0|1,2,0]=4 1425 B11R1.189 CSc1ccnc(c1)SCF 62a_100015361967_100010883326 [0,1,0,0,0,0|1,2,0]=4 1426 B11R1.189 CSc1cncc(c1)SCF 62a_100009816972_100015361967 [0,1,0,0,0,0|1,2,0]=4 1427 B11R1.189 CSc1cncc(c1)SCF 62a_100015361967_100009816972 [0,1,0,0,0,0|1,2,0]=4 1428 B11R1.189 CSc1nccc(n1)CO[13CH3] 7a_100009868414_200025704644 [0,1,0,0,0,0|2,1,0]=4 1429 B11R1.189 FCNc1cccc(c1)CF 34a_100000126320_100015361967 [0,1,0,0,0,0|3,0,0]=4 1430 B11R1.189 FCNc1cccc(c1)CF 7a_100000126320_100015361967 [0,1,0,0,0,0|3,0,0]=4 1431 B11R1.189 FCOc1cccc(c1)CBr 34a_100011660834_100015361967 [0,1,0,0,0,0|2,0,0]=3 1432 B11R1.189 FCOc1cccc(c1)CBr 7a_100011660834_100015361967 [0,1,0,0,0,0|2,0,0]=3 1433 B11R1.189 FCOc1cccc(c1)CCl 34a_100000084143_100015361967 [0,1,0,0,0,0|2,0,0]=3 1434 B11R1.189 FCOc1cccc(c1)CCl 7a_100000084143_100015361967 [0,1,0,0,0,0|2,0,0]=3 1435 B11R1.189 FCSc1cccc(c1)CF 62a_100010878472_100015361967 [0,1,0,0,0,0|2,1,0]=4 1436 B11R1.189 FCSc1cccc(c1)CF 62a_100015361967_100010878472 [0,1,0,0,0,0|2,1,0]=4 1437 B11R1.189 N#Cc1cc(ccn1)OCF 34a_100011777083_100015361967 [0,1,0,0,0,0|3,0,0]=4 1438 B11R1.189 N#Cc1cc(ccn1)OCF 7a_100011777083_100015361967 [0,1,0,0,0,0|3,0,0]=4 1439 B11R1.189 N#Cc1cccc(c1)NCF 34a_100000210922_100015361967 [0,1,0,0,0,0|3,0,0]=4 1440 B11R1.189 N#Cc1cccc(c1)NCF 7a_100000210922_100015361967 [0,1,0,0,0,0|3,0,0]=4 1441 B11R1.189 N#Cc1cccc(c1)OCF 34a_100000184713_100015361967 [0,1,0,0,0,0|2,0,0]=3 1442 B11R1.189 N#Cc1cccc(c1)OCF 7a_100000184713_100015361967 [0,1,0,0,0,0|2,0,0]=3 1443 B11R1.189 N#Cc1cccc(c1)SCF 62a_100015361967_100000189340 [0,1,0,0,0,0|2,1,0]=4 1444 B11R1.189 N#Cc1cncc(c1)OCF 34a_100012002025_100015361967 [0,1,0,0,0,0|3,0,0]=4 1445 B11R1.189 N#Cc1cncc(c1)OCF 7a_100012002025_100015361967 [0,1,0,0,0,0|3,0,0]=4 1446 B11R1.189 NCc1cccc(c1)OCF 34a_100000743036_100015361967 [0,1,0,0,0,0|2,0,0]=3 1447 B11R1.189 NCc1cccc(c1)SCF 62a_100000106179_100015361967 [0,1,0,0,0,0|2,1,0]=4 1448 B11R1.189 NCc1cccc(c1)SCF 62a_100015361967_100000106179 [0,1,0,0,0,0|2,1,0]=4 1449 B11R1.189 NCc1ccnc(c1)OCF 34a_100000748557_100015361967 [0,1,0,0,0,0|3,0,0]=4 1450 B11R1.189 NNc1cccc(c1)SCF 62a_100000217339_100015361967 [0,1,0,0,0,0|2,1,0]=4 1451 B11R1.189 NNc1cccc(c1)SCF 62a_100015361967_100000217339 [0,1,0,0,0,0|2,1,0]=4 1452 B11R1.189 O=Cc1cccc(c1)SCF 62a_100000014684_100015361967 [0,1,0,0,0,0|2,1,0]=4 1453 B11R1.189 O=Cc1cccc(c1)SCF 62a_100015361967_100000014684 [0,1,0,0,0,0|2,1,0]=4 1454 B11R1.189 OCc1cccc(c1)NCF 34a_100000211919_100015361967 [0,1,0,0,0,0|3,0,0]=4 1455 B11R1.189 OCc1cccc(c1)OCF 34a_100011214949_100015361967 [0,1,0,0,0,0|2,0,0]=3 1456 B11R1.189 OCc1cccc(c1)OCF 7a_100011214949_100015361967 [0,1,0,0,0,0|2,0,0]=3 1457 B11R1.189 OCc1cccc(c1)SCF 62a_100000687537_100015361967 [0,1,0,0,0,0|2,1,0]=4 1458 B11R1.189 OCc1cccc(c1)SCF 62a_100015361967_100000687537 [0,1,0,0,0,0|2,1,0]=4 1459 B11R1.189 [13CH3]NCc1cccc(c1)C#N 34a_100000755147_200025704644 [0,1,0,0,0,0|3,0,0]=4 1460 B11R1.189 [13CH3]NCc1cccc(c1)CO 2230a_100011269909_200025704644 [0,1,0,0,0,0|3,0,0]=4 1461 B11R1.189 [13CH3]NCc1cccc(c1)CO 34a_100011269909_200025704644 [0,1,0,0,0,0|3,0,0]=4 1462 B11R1.189 [13CH3]Nc1cccc(c1)CC#N 2230a_100000017804_200025704644 [0,1,0,0,0,0|2,0,1]=4 1463 B11R1.189 [13CH3]Nc1cccc(c1)CC#N 34a_100000017804_200025704644 [0,1,0,0,0,0|2,0,1]=4 1464 B11R1.189 [13CH3]Nc1cccc(c1)CCO 2230a_100011996697_200025704644 [0,1,0,0,0,0|2,0,0]=3 1465 B11R1.189 [13CH3]Nc1cccc(c1)CCO 34a_100011996697_200025704644 [0,1,0,0,0,0|2,0,0]=3 1466 B11R1.189 [13CH3]OCc1cc(ccn1)CN 34a_100020589248_200025704644 [0,1,0,0,0,0|3,0,0]=4 1467 B11R1.189 [13CH3]OCc1cccc(c1)C#N 34a_100000753308_200025704644 [0,1,0,0,0,0|2,0,0]=3 1468 B11R1.189 [13CH3]OCc1cccc(c1)C#N 7a_100000753308_200025704644 [0,1,0,0,0,0|2,0,0]=3 1469 B11R1.189 [13CH3]OCc1cccc(c1)CBr 34a_100010188025_200025704644 [0,1,0,0,0,0|2,0,0]=3 1470 B11R1.189 [13CH3]OCc1cccc(c1)CBr 7a_100010188025_200025704644 [0,1,0,0,0,0|2,0,0]=3 1471 B11R1.189 [13CH3]OCc1cccc(c1)CCl 34a_200000090956_200025704644 [0,1,0,0,0,0|2,0,0]=3 1472 B11R1.189 [13CH3]OCc1cccc(c1)CCl 7a_200000090956_200025704644 [0,1,0,0,0,0|2,0,0]=3 1473 B11R1.189 [13CH3]OCc1cccc(c1)CN 34a_100011269909_200025704644 [0,1,0,0,0,0|2,0,0]=3 1474 B11R1.189 [13CH3]OCc1cccc(n1)C#N 7a_200000085287_200025704644 [0,1,0,0,0,0|3,0,0]=4 1475 B11R1.189 [13CH3]OCc1ccnc(c1)C#N 7a_100000767107_200025704644 [0,1,0,0,0,0|3,0,0]=4 1476 B11R1.189 [13CH3]OCc1cncc(c1)C#N 7a_100000085282_200025704644 [0,1,0,0,0,0|3,0,0]=4 1477 B11R1.189 [13CH3]Oc1cccc(c1)CC#N 7a_100000696680_200025704644 [0,1,0,0,0,0|1,0,1]=3 1478 B11R1.189 [13CH3]Oc1cccc(c1)CCN 34a_100000747277_200025704644 [0,1,0,0,0,0|1,0,0]=2 1479 B11R1.189 [13CH3]Oc1cccc(c1)CCO 34a_100011215281_200025704644 [0,1,0,0,0,0|1,0,0]=2 1480 B11R1.189 [13CH3]Oc1cccc(c1)CCO 7a_100011215281_200025704644 [0,1,0,0,0,0|1,0,0]=2 1481 B11R1.189 [13CH3]Oc1cccc(c1)CNN 34a_100000008902_200025704644 [0,1,0,0,0,0|2,0,0]=3 1482 B11R1.189 [13CH3]SCc1cccc(c1)C#N 62a_200025704644_100000233786 [0,1,0,0,0,0|2,1,0]=4 1483 B11R1.189 [13CH3]SCc1cccc(c1)C=O 62a_100009816774_200025704644 [0,1,0,0,0,0|2,1,0]=4 1484 B11R1.189 [13CH3]SCc1cccc(c1)C=O 62a_200025704644_100009816774 [0,1,0,0,0,0|2,1,0]=4 1485 B11R1.189 [13CH3]SCc1cccc(c1)CO 62a_100010188025_200025704644 [0,1,0,0,0,0|2,1,0]=4 1486 B11R1.189 [13CH3]SCc1cccc(c1)CO 62a_200025704644_100010188025 [0,1,0,0,0,0|2,1,0]=4 1487 B11R1.189 [13CH3]Sc1cccc(c1)CC#N 62a_100000034040_200025704644 [0,1,0,0,0,0|1,1,1]=4 1488 B11R1.189 [13CH3]Sc1cccc(c1)CC#N 62a_200025704644_100000034040 [0,1,0,0,0,0|1,1,1]=4 1489 B11R1.189 [13CH3]Sc1cccc(c1)CC=O 62a_200000698211_200025704644 [0,1,0,0,0,0|1,1,1]=4 1490 B11R1.189 [13CH3]Sc1cccc(c1)CC=O 62a_200025704644_200000698211 [0,1,0,0,0,0|1,1,1]=4 1491 B11R1.189 [13CH3]Sc1cccc(c1)CCN 62a_100011207229_200025704644 [0,1,0,0,0,0|1,1,0]=3 1492 B11R1.189 [13CH3]Sc1cccc(c1)CCN 62a_200025704644_100011207229 [0,1,0,0,0,0|1,1,0]=3 1493 B11R1.189 [13CH3]Sc1cccc(c1)CCO 62a_100011217444_200025704644 [0,1,0,0,0,0|1,1,0]=3 1494 B11R1.189 [13CH3]Sc1cccc(c1)CCO 62a_200025704644_100011217444 [0,1,0,0,0,0|1,1,0]=3 1495 B11R1.189 [13CH3]Sc1cccc(c1)CNN 62a_100000686200_200025704644 [0,1,0,0,0,0|2,1,0]=4 1496 B11R1.189 [13CH3]Sc1cccc(c1)CNN 62a_200025704644_100000686200 [0,1,0,0,0,0|2,1,0]=4 1497 B11R1.189 [13CH3]Sc1cccc(c1)N=[N+]=[N-] 62a_200025704644_100000735707 [0,1,0,0,0,0|2,1,0]=4 1498 B11R1.189 [13CH3]Sc1cccc(c1)NC#N 62a_200025704644_100011685342 [0,1,0,0,0,0|1,1,1]=4 1499 B11R1.189 [13CH3]Sc1cccc(n1)CCO 62a_100010221043_200025704644 [0,1,0,0,0,0|2,1,0]=4 1500 B11R1.189 [13CH3]Sc1cccc(n1)CCO 62a_200025704644_100010221043 [0,1,0,0,0,0|2,1,0]=4 1501 B11R1.266 C#Cc1cccc(c1)C(=O)C 1458a_100011997762_200000210301 [0,1,0,0,0,0|2,0,1]=4 1502 B11R1.266 C#Cc1cccc(c1)C(=O)[13CH3] 1458a_100011997762_200025704644 [0,1,0,0,0,0|2,0,1]=4 1503 B11R1.266 C=C(C)c1cc(ccn1)CC 271570a_100000694244_100009817561 [0,1,0,0,0,0|3,0,0]=4 1504 B11R1.266 C=C(C)c1cc(ccn1)NC 271570a_100000694244_100009869472 [0,1,0,0,0,0|3,0,0]=4 1505 B11R1.266 C=C(C)c1cc(ccn1)OC 271570a_100000694244_100011216251 [0,1,0,0,0,0|2,0,0]=3 1506 B11R1.266 C=C(C)c1cc(ccn1)SC 271570a_100000694244_100010883326 [0,1,0,0,0,0|2,1,0]=4 1507 B11R1.266 C=C(C)c1cc(cnn1)OC 271570a_100000694244_100000087634 [0,1,0,0,0,0|3,0,0]=4 1508 B11R1.266 C=C(C)c1cc(ncn1)OC 271570a_100000694244_100012187182 [0,1,0,0,0,0|3,0,0]=4 1509 B11R1.266 C=C(C)c1cccc(c1)C#N 271570a_100000694244_100000189340 [0,1,0,0,0,0|3,0,0]=4 1510 B11R1.266 C=C(C)c1cccc(c1)C=O 271570a_100000694244_100000014684 [0,1,0,0,0,0|3,0,0]=4 1511 B11R1.266 C=C(C)c1cccc(c1)CC 271570a_100000694244_100000684523 [0,1,0,0,0,0|2,0,0]=3 1512 B11R1.266 C=C(C)c1cccc(c1)CF 271570a_100000694244_100010878472 [0,1,0,0,0,0|3,0,0]=4 1513 B11R1.266 C=C(C)c1cccc(c1)CN 271570a_100000694244_100000106179 [0,1,0,0,0,0|3,0,0]=4 1514 B11R1.266 C=C(C)c1cccc(c1)CO 271570a_100000694244_100000687537 [0,1,0,0,0,0|3,0,0]=4 1515 B11R1.266 C=C(C)c1cccc(c1)NC 271570a_100000694244_100000219648 [0,1,0,0,0,0|2,0,0]=3 1516 B11R1.266 C=C(C)c1cccc(c1)NN 271570a_100000694244_100000217339 [0,1,0,0,0,0|3,0,0]=4 1517 B11R1.266 C=C(C)c1cccc(c1)OC 271570a_100000694244_100000170001 [0,1,0,0,0,0|1,0,0]=2 1518 B11R1.266 C=C(C)c1cccc(c1)SC 271570a_100000694244_100011215954 [0,1,0,0,0,0|1,1,0]=3 1519 B11R1.266 C=C(C)c1cccc(c1)SC 62a_100012123953_200000210301 [0,1,0,0,0,0|1,1,0]=3 1520 B11R1.266 C=C(C)c1cccc(c1)SC 62a_200000210301_100012123953 [0,1,0,0,0,0|1,1,0]=3 1521 B11R1.266 C=C(C)c1cccc(c1)S[13CH3] 62a_100012123953_200025704644 [0,1,0,0,0,0|1,1,0]=3 1522 B11R1.266 C=C(C)c1cccc(c1)S[13CH3] 62a_200025704644_100012123953 [0,1,0,0,0,0|1,1,0]=3 1523 B11R1.266 C=C(C)c1cccc(n1)CC 271570a_100000694244_100009856026 [0,1,0,0,0,0|3,0,0]=4 1524 B11R1.266 C=C(C)c1cccc(n1)NC 271570a_100000694244_100000703281 [0,1,0,0,0,0|3,0,0]=4 1525 B11R1.266 C=C(C)c1cccc(n1)OC 271570a_100000694244_100000760917 [0,1,0,0,0,0|2,0,0]=3 1526 B11R1.266 C=C(C)c1cccc(n1)SC 271570a_100000694244_100011960944 [0,1,0,0,0,0|2,1,0]=4 1527 B11R1.266 C=C(C)c1ccnc(c1)CC 271570a_100000694244_100009820011 [0,1,0,0,0,0|3,0,0]=4 1528 B11R1.266 C=C(C)c1ccnc(c1)NC 271570a_100000694244_100009819592 [0,1,0,0,0,0|3,0,0]=4 1529 B11R1.266 C=C(C)c1ccnc(c1)OC 271570a_100000694244_100000117307 [0,1,0,0,0,0|2,0,0]=3 1530 B11R1.266 C=C(C)c1ccnc(n1)OC 271570a_100000694244_100000069072 [0,1,0,0,0,0|3,0,0]=4 1531 B11R1.266 C=C(C)c1cncc(c1)CC 271570a_100000694244_200009819073 [0,1,0,0,0,0|3,0,0]=4 1532 B11R1.266 C=C(C)c1cncc(c1)NC 271570a_100000694244_100012184536 [0,1,0,0,0,0|3,0,0]=4 1533 B11R1.266 C=C(C)c1cncc(c1)OC 271570a_100000694244_100000684773 [0,1,0,0,0,0|2,0,0]=3 1534 B11R1.266 C=C(C)c1cncc(c1)SC 271570a_100000694244_100009816972 [0,1,0,0,0,0|2,1,0]=4 1535 B11R1.266 C=C(C)c1cncc(c1)SC 62a_200000210301_200009889500 [0,1,0,0,0,0|2,1,0]=4 1536 B11R1.266 C=C(C)c1cncc(c1)SC 62a_200009889500_200000210301 [0,1,0,0,0,0|2,1,0]=4 1537 B11R1.266 C=C(C)c1cncc(c1)S[13CH3] 62a_200009889500_200025704644 [0,1,0,0,0,0|2,1,0]=4 1538 B11R1.266 C=C(C)c1cncc(c1)S[13CH3] 62a_200025704644_200009889500 [0,1,0,0,0,0|2,1,0]=4 1539 B11R1.266 C=C(C)c1cncc(n1)OC 271570a_100000694244_100000756030 [0,1,0,0,0,0|3,0,0]=4 1540 B11R1.266 C=C(C)c1nccc(n1)OC 271570a_100000694244_100000182009 [0,1,0,0,0,0|3,0,0]=4 1541 B11R1.266 C=Cc1cccc(c1)C(=C)C 271570a_100011290941_100012123953 [0,1,0,0,0,0|2,0,1]=4 1542 B11R1.266 C=Cc1cccc(c1)C(=O)C 1458a_100011215009_200000210301 [0,1,0,0,0,0|2,0,1]=4 1543 B11R1.266 C=Cc1cccc(c1)C(=O)C 271570a_100011290941_100000210093 [0,1,0,0,0,0|2,0,1]=4 1544 B11R1.266 C=Cc1cccc(c1)C(=O)[13CH3] 1458a_100011215009_200025704644 [0,1,0,0,0,0|2,0,1]=4 1545 B11R1.266 C=Cc1cccc(c1)C(C)C 271570a_100011290941_100011214899 [0,1,0,0,0,0|2,0,1]=4 1546 B11R1.266 C=Cc1cccc(c1)C(C)N 271570a_100011290941_100020642005 [0,1,0,0,0,0|2,0,1]=4 1547 B11R1.266 C=Cc1cccc(c1)C(C)O 271570a_100011290941_100000246457 [0,1,0,0,0,0|2,0,1]=4 1548 B11R1.266 C=Cc1cccc(c1)N(C)C 271570a_100011290941_100011215952 [0,1,0,0,0,0|2,0,1]=4 1549 B11R1.266 C=Cc1cccc(c1)S(=O)C 271570a_100011290941_100009816267 [0,1,0,0,0,0|1,1,1]=4 1550 B11R1.266 CC(=O)c1cc(ccn1)S[13CH3] 62a_100000709912_200025704644 [0,1,0,0,0,0|2,1,0]=4 1551 B11R1.266 CC(=O)c1cc(ccn1)S[13CH3] 62a_200025704644_100000709912 [0,1,0,0,0,0|2,1,0]=4 1552 B11R1.266 CC(=O)c1cccc(c1)C#N 1458a_100000183950_200000210301 [0,1,0,0,0,0|3,0,0]=4 1553 B11R1.266 CC(=O)c1cccc(c1)CO 1458a_100000746274_200000210301 [0,1,0,0,0,0|3,0,0]=4 1554 B11R1.266 CC(=O)c1cccc(c1)O[13CH3] 34a_100000211620_200025704644 [0,1,0,0,0,0|1,0,0]=2 1555 B11R1.266 CC(=O)c1cccc(c1)O[13CH3] 7a_100000211620_200025704644 [0,1,0,0,0,0|1,0,0]=2 1556 B11R1.266 CC(=O)c1cccc(c1)S[13CH3] 62a_100000210093_200025704644 [0,1,0,0,0,0|1,1,0]=3 1557 B11R1.266 CC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000210093 [0,1,0,0,0,0|1,1,0]=3 1558 B11R1.266 CC(=O)c1cccc(n1)S[13CH3] 62a_100009816502_200025704644 [0,1,0,0,0,0|2,1,0]=4 1559 B11R1.266 CC(=O)c1cccc(n1)S[13CH3] 62a_200025704644_100009816502 [0,1,0,0,0,0|2,1,0]=4 1560 B11R1.266 CC(=O)c1ccnc(c1)S[13CH3] 62a_100000685609_200025704644 [0,1,0,0,0,0|2,1,0]=4 1561 B11R1.266 CC(=O)c1ccnc(c1)S[13CH3] 62a_200025704644_100000685609 [0,1,0,0,0,0|2,1,0]=4 1562 B11R1.266 CC(=O)c1cncc(c1)S[13CH3] 62a_100011216243_200025704644 [0,1,0,0,0,0|2,1,0]=4 1563 B11R1.266 CC(=O)c1cncc(c1)S[13CH3] 62a_200025704644_100011216243 [0,1,0,0,0,0|2,1,0]=4 1564 B11R1.266 CC(C)c1cc(ccn1)S[13CH3] 62a_100010237922_200025704644 [0,1,0,0,0,0|2,1,0]=4 1565 B11R1.266 CC(C)c1cc(ccn1)S[13CH3] 62a_200025704644_100010237922 [0,1,0,0,0,0|2,1,0]=4 1566 B11R1.266 CC(C)c1cccc(c1)N[13CH3] 2230a_100000211879_200025704644 [0,1,0,0,0,0|2,0,0]=3 1567 B11R1.266 CC(C)c1cccc(c1)N[13CH3] 34a_100000211879_200025704644 [0,1,0,0,0,0|2,0,0]=3 1568 B11R1.266 CC(C)c1cccc(c1)N[13CH3] 7a_100000211879_200025704644 [0,1,0,0,0,0|2,0,0]=3 1569 B11R1.266 CC(C)c1cccc(c1)O[13CH3] 34a_100000211816_200025704644 [0,1,0,0,0,0|1,0,0]=2 1570 B11R1.266 CC(C)c1cccc(c1)O[13CH3] 7a_100000211816_200025704644 [0,1,0,0,0,0|1,0,0]=2 1571 B11R1.266 CC(C)c1cccc(c1)S[13CH3] 62a_100011214899_200025704644 [0,1,0,0,0,0|1,1,0]=3 1572 B11R1.266 CC(C)c1cccc(c1)S[13CH3] 62a_200025704644_100011214899 [0,1,0,0,0,0|1,1,0]=3 1573 B11R1.266 CC(C)c1cccc(n1)S[13CH3] 62a_100012318657_200025704644 [0,1,0,0,0,0|2,1,0]=4 1574 B11R1.266 CC(C)c1cccc(n1)S[13CH3] 62a_200025704644_100012318657 [0,1,0,0,0,0|2,1,0]=4 1575 B11R1.266 CC(C)c1ccnc(c1)S[13CH3] 62a_100010237925_200025704644 [0,1,0,0,0,0|2,1,0]=4 1576 B11R1.266 CC(C)c1ccnc(c1)S[13CH3] 62a_200025704644_100010237925 [0,1,0,0,0,0|2,1,0]=4 1577 B11R1.266 CC(C)c1cncc(c1)S[13CH3] 62a_200010191214_200025704644 [0,1,0,0,0,0|2,1,0]=4 1578 B11R1.266 CC(C)c1cncc(c1)S[13CH3] 62a_200025704644_200010191214 [0,1,0,0,0,0|2,1,0]=4 1579 B11R1.266 CC(N)c1cccc(c1)O[13CH3] 34a_100000740644_200025704644 [0,1,0,0,0,0|1,0,0]=2 1580 B11R1.266 CC(N)c1cccc(c1)O[13CH3] 7a_100000740644_200025704644 [0,1,0,0,0,0|1,0,0]=2 1581 B11R1.266 CC(N)c1cccc(c1)S[13CH3] 62a_100020642005_200025704644 [0,1,0,0,0,0|1,1,0]=3 1582 B11R1.266 CC(N)c1cccc(c1)S[13CH3] 62a_200025704644_100020642005 [0,1,0,0,0,0|1,1,0]=3 1583 B11R1.266 CC(N)c1cccc(n1)S[13CH3] 62a_200010173468_200025704644 [0,1,0,0,0,0|2,1,0]=4 1584 B11R1.266 CC(N)c1cccc(n1)S[13CH3] 62a_200025704644_200010173468 [0,1,0,0,0,0|2,1,0]=4 1585 B11R1.266 CC(O)c1cc(ccn1)S[13CH3] 62a_100000144657_200025704644 [0,1,0,0,0,0|2,1,0]=4 1586 B11R1.266 CC(O)c1cc(ccn1)S[13CH3] 62a_200025704644_100000144657 [0,1,0,0,0,0|2,1,0]=4 1587 B11R1.266 CC(O)c1cccc(c1)N[13CH3] 2230a_100011217120_200025704644 [0,1,0,0,0,0|2,0,0]=3 1588 B11R1.266 CC(O)c1cccc(c1)N[13CH3] 34a_100011217120_200025704644 [0,1,0,0,0,0|2,0,0]=3 1589 B11R1.266 CC(O)c1cccc(c1)O[13CH3] 34a_100000748013_200025704644 [0,1,0,0,0,0|1,0,0]=2 1590 B11R1.266 CC(O)c1cccc(c1)O[13CH3] 7a_100000748013_200025704644 [0,1,0,0,0,0|1,0,0]=2 1591 B11R1.266 CC(O)c1cccc(c1)S[13CH3] 62a_100000246457_200025704644 [0,1,0,0,0,0|1,1,0]=3 1592 B11R1.266 CC(O)c1cccc(c1)S[13CH3] 62a_200025704644_100000246457 [0,1,0,0,0,0|1,1,0]=3 1593 B11R1.266 CC(O)c1cccc(n1)S[13CH3] 62a_100009820884_200025704644 [0,1,0,0,0,0|2,1,0]=4 1594 B11R1.266 CC(O)c1cccc(n1)S[13CH3] 62a_200025704644_100009820884 [0,1,0,0,0,0|2,1,0]=4 1595 B11R1.266 CC(O)c1cncc(c1)S[13CH3] 62a_100012351597_200025704644 [0,1,0,0,0,0|2,1,0]=4 1596 B11R1.266 CC(O)c1cncc(c1)S[13CH3] 62a_200025704644_100012351597 [0,1,0,0,0,0|2,1,0]=4 1597 B11R1.266 CCc1cc(ccn1)N(C)C 27a_100102631434_100009820011 [0,1,0,0,0,0|3,0,0]=4 1598 B11R1.266 CCc1cccc(c1)C(=O)C 1458a_100011933908_200000210301 [0,1,0,0,0,0|2,0,0]=3 1599 B11R1.266 CCc1cccc(c1)C(=O)[13CH3] 1458a_100011933908_200025704644 [0,1,0,0,0,0|2,0,0]=3 1600 B11R1.266 CCc1ccnc(c1)N(C)C 27a_100102631434_100009817561 [0,1,0,0,0,0|3,0,0]=4 1601 B11R1.266 CN(C)c1cc(ccn1)S[13CH3] 62a_100012361627_200025704644 [0,1,0,0,0,0|2,1,0]=4 1602 B11R1.266 CN(C)c1cc(ccn1)S[13CH3] 62a_200025704644_100012361627 [0,1,0,0,0,0|2,1,0]=4 1603 B11R1.266 CN(C)c1cccc(c1)C#N 2230a_100000221292_200000210301 [0,1,0,0,0,0|3,0,0]=4 1604 B11R1.266 CN(C)c1cccc(c1)C#N 269982a_100000221292_200000210301 [0,1,0,0,0,0|3,0,0]=4 1605 B11R1.266 CN(C)c1cccc(c1)C#N 34a_100000221292_200000210301 [0,1,0,0,0,0|3,0,0]=4 1606 B11R1.266 CN(C)c1cccc(c1)C#N 7a_100000221292_200000210301 [0,1,0,0,0,0|3,0,0]=4 1607 B11R1.266 CN(C)c1cccc(c1)N[13CH3] 34a_100000209982_200025704644 [0,1,0,0,0,0|2,0,0]=3 1608 B11R1.266 CN(C)c1cccc(c1)O[13CH3] 34a_100000738785_200025704644 [0,1,0,0,0,0|1,0,0]=2 1609 B11R1.266 CN(C)c1cccc(c1)S[13CH3] 62a_100011215952_200025704644 [0,1,0,0,0,0|1,1,0]=3 1610 B11R1.266 CN(C)c1cccc(c1)S[13CH3] 62a_200025704644_100011215952 [0,1,0,0,0,0|1,1,0]=3 1611 B11R1.266 CN(C)c1cccc(n1)S[13CH3] 62a_100011960435_200025704644 [0,1,0,0,0,0|2,1,0]=4 1612 B11R1.266 CN(C)c1cccc(n1)S[13CH3] 62a_200025704644_100011960435 [0,1,0,0,0,0|2,1,0]=4 1613 B11R1.266 CN(C)c1ccnc(c1)S[13CH3] 62a_100000766659_200025704644 [0,1,0,0,0,0|2,1,0]=4 1614 B11R1.266 CN(C)c1ccnc(c1)S[13CH3] 62a_200025704644_100000766659 [0,1,0,0,0,0|2,1,0]=4 1615 B11R1.266 CN(C)c1cncc(c1)S[13CH3] 62a_100012350714_200025704644 [0,1,0,0,0,0|2,1,0]=4 1616 B11R1.266 CN(C)c1cncc(c1)S[13CH3] 62a_200025704644_100012350714 [0,1,0,0,0,0|2,1,0]=4 1617 B11R1.266 CN([13CH3])c1cccc(c1)C#N 2230a_100000221292_200025704644 [0,1,0,0,0,0|3,0,0]=4 1618 B11R1.266 CN([13CH3])c1cccc(c1)C#N 269982a_100000221292_200025704644 [0,1,0,0,0,0|3,0,0]=4 1619 B11R1.266 CN([13CH3])c1cccc(c1)C#N 34a_100000221292_200025704644 [0,1,0,0,0,0|3,0,0]=4 1620 B11R1.266 CN([13CH3])c1cccc(c1)C#N 7a_100000221292_200025704644 [0,1,0,0,0,0|3,0,0]=4 1621 B11R1.266 CNc1cc(ccn1)C(C)C 27a_100102657272_100010237925 [0,1,0,0,0,0|3,0,0]=4 1622 B11R1.266 CNc1cccc(c1)C(=O)N 34a_100000217337_200000210301 [0,1,0,0,0,0|3,0,0]=4 1623 B11R1.266 CNc1cccc(c1)C(C)C 2230a_100000211879_200000210301 [0,1,0,0,0,0|2,0,0]=3 1624 B11R1.266 CNc1cccc(c1)C(C)C 34a_100000211879_200000210301 [0,1,0,0,0,0|2,0,0]=3 1625 B11R1.266 CNc1cccc(c1)C(C)C 7a_100000211879_200000210301 [0,1,0,0,0,0|2,0,0]=3 1626 B11R1.266 CNc1cccc(c1)C(C)O 2230a_100011217120_200000210301 [0,1,0,0,0,0|2,0,0]=3 1627 B11R1.266 CNc1cccc(c1)C(C)O 34a_100011217120_200000210301 [0,1,0,0,0,0|2,0,0]=3 1628 B11R1.266 CNc1cccc(c1)C(F)F 2230a_100000058342_200000210301 [0,1,0,0,0,0|3,0,0]=4 1629 B11R1.266 CNc1cccc(c1)C(F)F 34a_100000058342_200000210301 [0,1,0,0,0,0|3,0,0]=4 1630 B11R1.266 CNc1cccc(c1)C(F)F 7a_100000058342_200000210301 [0,1,0,0,0,0|3,0,0]=4 1631 B11R1.266 CNc1cccc(c1)N(C)C 34a_100000209982_200000210301 [0,1,0,0,0,0|2,0,0]=3 1632 B11R1.266 CNc1cccc(c1)[N+](=O)[O-] 34a_100000184103_200000210301 [0,1,0,0,0,0|3,0,0]=4 1633 B11R1.266 CNc1cccc(n1)C(=O)C 27a_100102657272_100000085735 [0,1,0,0,0,0|3,0,0]=4 1634 B11R1.266 CNc1cccc(n1)C(C)C 27a_100102657272_100012318657 [0,1,0,0,0,0|3,0,0]=4 1635 B11R1.266 CNc1cccc(n1)C(C)O 27a_100102657272_100009820884 [0,1,0,0,0,0|3,0,0]=4 1636 B11R1.266 CNc1ccnc(c1)C(C)C 27a_100102657272_100010237922 [0,1,0,0,0,0|3,0,0]=4 1637 B11R1.266 CNc1ccnc(c1)C(C)O 27a_100102657272_100000144657 [0,1,0,0,0,0|3,0,0]=4 1638 B11R1.266 COc1cc(ncn1)N(C)C 27a_100102631434_100000049997 [0,1,0,0,0,0|3,0,0]=4 1639 B11R1.266 COc1cccc(c1)C(=O)C 1458a_100000188888_200000210301 [0,1,0,0,0,0|1,0,0]=2 1640 B11R1.266 COc1cccc(c1)C(=O)C 34a_100000211620_200000210301 [0,1,0,0,0,0|1,0,0]=2 1641 B11R1.266 COc1cccc(c1)C(=O)C 7a_100000211620_200000210301 [0,1,0,0,0,0|1,0,0]=2 1642 B11R1.266 COc1cccc(c1)C(=O)N 34a_100000162170_200000210301 [0,1,0,0,0,0|2,0,0]=3 1643 B11R1.266 COc1cccc(c1)C(=O)N 7a_100000162170_200000210301 [0,1,0,0,0,0|2,0,0]=3 1644 B11R1.266 COc1cccc(c1)C(=O)[13CH3] 1458a_100000188888_200025704644 [0,1,0,0,0,0|1,0,0]=2 1645 B11R1.266 COc1cccc(c1)C(=S)N 7a_100000738086_200000210301 [0,1,0,0,0,0|2,0,0]=3 1646 B11R1.266 COc1cccc(c1)C(C)C 34a_100000211816_200000210301 [0,1,0,0,0,0|1,0,0]=2 1647 B11R1.266 COc1cccc(c1)C(C)C 7a_100000211816_200000210301 [0,1,0,0,0,0|1,0,0]=2 1648 B11R1.266 COc1cccc(c1)C(C)N 34a_100000740644_200000210301 [0,1,0,0,0,0|1,0,0]=2 1649 B11R1.266 COc1cccc(c1)C(C)N 7a_100000740644_200000210301 [0,1,0,0,0,0|1,0,0]=2 1650 B11R1.266 COc1cccc(c1)C(C)O 34a_100000748013_200000210301 [0,1,0,0,0,0|1,0,0]=2 1651 B11R1.266 COc1cccc(c1)C(C)O 7a_100000748013_200000210301 [0,1,0,0,0,0|1,0,0]=2 1652 B11R1.266 COc1cccc(c1)N(C)C 2230a_100000219725_200000210301 [0,1,0,0,0,0|1,0,0]=2 1653 B11R1.266 COc1cccc(c1)N(C)C 269982a_100000219725_200000210301 [0,1,0,0,0,0|1,0,0]=2 1654 B11R1.266 COc1cccc(c1)N(C)C 34a_100000219725_200000210301 [0,1,0,0,0,0|1,0,0]=2 1655 B11R1.266 COc1cccc(c1)N(C)C 34a_100000738785_200000210301 [0,1,0,0,0,0|1,0,0]=2 1656 B11R1.266 COc1cccc(c1)N(C)[13CH3] 2230a_100000219725_200025704644 [0,1,0,0,0,0|1,0,0]=2 1657 B11R1.266 COc1cccc(c1)N(C)[13CH3] 269982a_100000219725_200025704644 [0,1,0,0,0,0|1,0,0]=2 1658 B11R1.266 COc1cccc(c1)N(C)[13CH3] 34a_100000219725_200025704644 [0,1,0,0,0,0|1,0,0]=2 1659 B11R1.266 COc1cccc(c1)[N+](=O)[O-] 34a_100000185994_200000210301 [0,1,0,0,0,0|2,0,0]=3 1660 B11R1.266 COc1cccc(c1)[N+](=O)[O-] 7a_100000185994_200000210301 [0,1,0,0,0,0|2,0,0]=3 1661 B11R1.266 COc1ccnc(n1)N(C)C 27a_100102631434_100000182009 [0,1,0,0,0,0|3,0,0]=4 1662 B11R1.266 COc1cncc(c1)C(=O)N 7a_100000698036_200000210301 [0,1,0,0,0,0|3,0,0]=4 1663 B11R1.266 COc1cncc(c1)[N+](=O)[O-] 34a_100009862860_200000210301 [0,1,0,0,0,0|3,0,0]=4 1664 B11R1.266 COc1cncc(c1)[N+](=O)[O-] 7a_100009862860_200000210301 [0,1,0,0,0,0|3,0,0]=4 1665 B11R1.266 COc1cncc(n1)N(C)C 27a_100102631434_100009819700 [0,1,0,0,0,0|3,0,0]=4 1666 B11R1.266 COc1nccc(n1)N(C)C 27a_100102631434_100000069072 [0,1,0,0,0,0|3,0,0]=4 1667 B11R1.266 CS(=O)c1cccc(c1)S[13CH3] 62a_100009816267_200025704644 [0,1,0,0,0,0|0,2,0]=3 1668 B11R1.266 CS(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100009816267 [0,1,0,0,0,0|0,2,0]=3 1669 B11R1.266 CSc1cc(ccn1)C(=O)C 62a_100000685609_200000210301 [0,1,0,0,0,0|2,1,0]=4 1670 B11R1.266 CSc1cc(ccn1)C(=O)C 62a_200000210301_100000685609 [0,1,0,0,0,0|2,1,0]=4 1671 B11R1.266 CSc1cc(ccn1)C(C)C 62a_100010237925_200000210301 [0,1,0,0,0,0|2,1,0]=4 1672 B11R1.266 CSc1cc(ccn1)C(C)C 62a_200000210301_100010237925 [0,1,0,0,0,0|2,1,0]=4 1673 B11R1.266 CSc1cc(ccn1)N(C)C 62a_100000766659_200000210301 [0,1,0,0,0,0|2,1,0]=4 1674 B11R1.266 CSc1cc(ccn1)N(C)C 62a_200000210301_100000766659 [0,1,0,0,0,0|2,1,0]=4 1675 B11R1.266 CSc1cccc(c1)B(O)O 62a_100000687717_200000210301 [0,1,0,0,0,0|2,1,0]=4 1676 B11R1.266 CSc1cccc(c1)B(O)O 62a_200000210301_100000687717 [0,1,0,0,0,0|2,1,0]=4 1677 B11R1.266 CSc1cccc(c1)C(=O)C 1458a_100011217804_200000210301 [0,1,0,0,0,0|1,1,0]=3 1678 B11R1.266 CSc1cccc(c1)C(=O)C 62a_100000210093_200000210301 [0,1,0,0,0,0|1,1,0]=3 1679 B11R1.266 CSc1cccc(c1)C(=O)C 62a_200000210301_100000210093 [0,1,0,0,0,0|1,1,0]=3 1680 B11R1.266 CSc1cccc(c1)C(=O)N 62a_100000162208_200000210301 [0,1,0,0,0,0|2,1,0]=4 1681 B11R1.266 CSc1cccc(c1)C(=O)N 62a_200000210301_100000162208 [0,1,0,0,0,0|2,1,0]=4 1682 B11R1.266 CSc1cccc(c1)C(=O)[13CH3] 1458a_100011217804_200025704644 [0,1,0,0,0,0|1,1,0]=3 1683 B11R1.266 CSc1cccc(c1)C(C)C 62a_100011214899_200000210301 [0,1,0,0,0,0|1,1,0]=3 1684 B11R1.266 CSc1cccc(c1)C(C)C 62a_200000210301_100011214899 [0,1,0,0,0,0|1,1,0]=3 1685 B11R1.266 CSc1cccc(c1)C(C)N 62a_100020642005_200000210301 [0,1,0,0,0,0|1,1,0]=3 1686 B11R1.266 CSc1cccc(c1)C(C)N 62a_200000210301_100020642005 [0,1,0,0,0,0|1,1,0]=3 1687 B11R1.266 CSc1cccc(c1)C(C)O 62a_100000246457_200000210301 [0,1,0,0,0,0|1,1,0]=3 1688 B11R1.266 CSc1cccc(c1)C(C)O 62a_200000210301_100000246457 [0,1,0,0,0,0|1,1,0]=3 1689 B11R1.266 CSc1cccc(c1)C(F)F 62a_100009892619_200000210301 [0,1,0,0,0,0|2,1,0]=4 1690 B11R1.266 CSc1cccc(c1)C(F)F 62a_200000210301_100009892619 [0,1,0,0,0,0|2,1,0]=4 1691 B11R1.266 CSc1cccc(c1)N(C)C 2230a_100020672454_200000210301 [0,1,0,0,0,0|1,1,0]=3 1692 B11R1.266 CSc1cccc(c1)N(C)C 269982a_100020672454_200000210301 [0,1,0,0,0,0|1,1,0]=3 1693 B11R1.266 CSc1cccc(c1)N(C)C 34a_100020672454_200000210301 [0,1,0,0,0,0|1,1,0]=3 1694 B11R1.266 CSc1cccc(c1)N(C)C 62a_100011215952_200000210301 [0,1,0,0,0,0|1,1,0]=3 1695 B11R1.266 CSc1cccc(c1)N(C)C 62a_200000210301_100011215952 [0,1,0,0,0,0|1,1,0]=3 1696 B11R1.266 CSc1cccc(c1)N(C)[13CH3] 2230a_100020672454_200025704644 [0,1,0,0,0,0|1,1,0]=3 1697 B11R1.266 CSc1cccc(c1)N(C)[13CH3] 269982a_100020672454_200025704644 [0,1,0,0,0,0|1,1,0]=3 1698 B11R1.266 CSc1cccc(c1)N(C)[13CH3] 34a_100020672454_200025704644 [0,1,0,0,0,0|1,1,0]=3 1699 B11R1.266 CSc1cccc(c1)S(=O)C 62a_100009816267_200000210301 [0,1,0,0,0,0|0,2,0]=3 1700 B11R1.266 CSc1cccc(c1)S(=O)C 62a_200000210301_100009816267 [0,1,0,0,0,0|0,2,0]=3 1701 B11R1.266 CSc1cccc(n1)C(=O)C 62a_100009816502_200000210301 [0,1,0,0,0,0|2,1,0]=4 1702 B11R1.266 CSc1cccc(n1)C(=O)C 62a_200000210301_100009816502 [0,1,0,0,0,0|2,1,0]=4 1703 B11R1.266 CSc1cccc(n1)C(C)C 62a_100012318657_200000210301 [0,1,0,0,0,0|2,1,0]=4 1704 B11R1.266 CSc1cccc(n1)C(C)C 62a_200000210301_100012318657 [0,1,0,0,0,0|2,1,0]=4 1705 B11R1.266 CSc1cccc(n1)C(C)N 62a_200000210301_200010173468 [0,1,0,0,0,0|2,1,0]=4 1706 B11R1.266 CSc1cccc(n1)C(C)N 62a_200010173468_200000210301 [0,1,0,0,0,0|2,1,0]=4 1707 B11R1.266 CSc1cccc(n1)C(C)O 62a_100009820884_200000210301 [0,1,0,0,0,0|2,1,0]=4 1708 B11R1.266 CSc1cccc(n1)C(C)O 62a_200000210301_100009820884 [0,1,0,0,0,0|2,1,0]=4 1709 B11R1.266 CSc1cccc(n1)N(C)C 62a_100011960435_200000210301 [0,1,0,0,0,0|2,1,0]=4 1710 B11R1.266 CSc1cccc(n1)N(C)C 62a_200000210301_100011960435 [0,1,0,0,0,0|2,1,0]=4 1711 B11R1.266 CSc1ccnc(c1)C(=O)C 62a_100000709912_200000210301 [0,1,0,0,0,0|2,1,0]=4 1712 B11R1.266 CSc1ccnc(c1)C(=O)C 62a_200000210301_100000709912 [0,1,0,0,0,0|2,1,0]=4 1713 B11R1.266 CSc1ccnc(c1)C(C)C 62a_100010237922_200000210301 [0,1,0,0,0,0|2,1,0]=4 1714 B11R1.266 CSc1ccnc(c1)C(C)C 62a_200000210301_100010237922 [0,1,0,0,0,0|2,1,0]=4 1715 B11R1.266 CSc1ccnc(c1)C(C)O 62a_100000144657_200000210301 [0,1,0,0,0,0|2,1,0]=4 1716 B11R1.266 CSc1ccnc(c1)C(C)O 62a_200000210301_100000144657 [0,1,0,0,0,0|2,1,0]=4 1717 B11R1.266 CSc1ccnc(c1)N(C)C 62a_100012361627_200000210301 [0,1,0,0,0,0|2,1,0]=4 1718 B11R1.266 CSc1ccnc(c1)N(C)C 62a_200000210301_100012361627 [0,1,0,0,0,0|2,1,0]=4 1719 B11R1.266 CSc1cncc(c1)C(=O)C 62a_100011216243_200000210301 [0,1,0,0,0,0|2,1,0]=4 1720 B11R1.266 CSc1cncc(c1)C(=O)C 62a_200000210301_100011216243 [0,1,0,0,0,0|2,1,0]=4 1721 B11R1.266 CSc1cncc(c1)C(C)C 62a_200000210301_200010191214 [0,1,0,0,0,0|2,1,0]=4 1722 B11R1.266 CSc1cncc(c1)C(C)C 62a_200010191214_200000210301 [0,1,0,0,0,0|2,1,0]=4 1723 B11R1.266 CSc1cncc(c1)C(C)O 62a_100012351597_200000210301 [0,1,0,0,0,0|2,1,0]=4 1724 B11R1.266 CSc1cncc(c1)C(C)O 62a_200000210301_100012351597 [0,1,0,0,0,0|2,1,0]=4 1725 B11R1.266 CSc1cncc(c1)N(C)C 62a_100012350714_200000210301 [0,1,0,0,0,0|2,1,0]=4 1726 B11R1.266 CSc1cncc(c1)N(C)C 62a_200000210301_100012350714 [0,1,0,0,0,0|2,1,0]=4 1727 B11R1.266 CSc1cncc(c1)[C@@H](C)N 62a_100012350620_200000210301 [0,1,0,0,0,0|2,1,0]=4 1728 B11R1.266 CSc1cncc(c1)[C@@H](C)N 62a_200000210301_100012350620 [0,1,0,0,0,0|2,1,0]=4 1729 B11R1.266 C[C@@H](N)c1cncc(c1)S[13CH3] 62a_100012350620_200025704644 [0,1,0,0,0,0|2,1,0]=4 1730 B11R1.266 C[C@@H](N)c1cncc(c1)S[13CH3] 62a_200025704644_100012350620 [0,1,0,0,0,0|2,1,0]=4 1731 B11R1.266 [13CH3]C(=O)c1cccc(c1)C#N 1458a_100000183950_200025704644 [0,1,0,0,0,0|3,0,0]=4 1732 B11R1.266 [13CH3]C(=O)c1cccc(c1)CO 1458a_100000746274_200025704644 [0,1,0,0,0,0|3,0,0]=4 1733 B11R1.266 [13CH3]Nc1cccc(c1)C(=O)N 34a_100000217337_200025704644 [0,1,0,0,0,0|3,0,0]=4 1734 B11R1.266 [13CH3]Nc1cccc(c1)C(F)F 2230a_100000058342_200025704644 [0,1,0,0,0,0|3,0,0]=4 1735 B11R1.266 [13CH3]Nc1cccc(c1)C(F)F 34a_100000058342_200025704644 [0,1,0,0,0,0|3,0,0]=4 1736 B11R1.266 [13CH3]Nc1cccc(c1)C(F)F 7a_100000058342_200025704644 [0,1,0,0,0,0|3,0,0]=4 1737 B11R1.266 [13CH3]Nc1cccc(c1)[N+](=O)[O-] 34a_100000184103_200025704644 [0,1,0,0,0,0|3,0,0]=4 1738 B11R1.266 [13CH3]Oc1cccc(c1)C(=O)N 34a_100000162170_200025704644 [0,1,0,0,0,0|2,0,0]=3 1739 B11R1.266 [13CH3]Oc1cccc(c1)C(=O)N 7a_100000162170_200025704644 [0,1,0,0,0,0|2,0,0]=3 1740 B11R1.266 [13CH3]Oc1cccc(c1)C(=S)N 7a_100000738086_200025704644 [0,1,0,0,0,0|2,0,0]=3 1741 B11R1.266 [13CH3]Oc1cccc(c1)[N+](=O)[O-] 34a_100000185994_200025704644 [0,1,0,0,0,0|2,0,0]=3 1742 B11R1.266 [13CH3]Oc1cccc(c1)[N+](=O)[O-] 7a_100000185994_200025704644 [0,1,0,0,0,0|2,0,0]=3 1743 B11R1.266 [13CH3]Oc1cncc(c1)C(=O)N 7a_100000698036_200025704644 [0,1,0,0,0,0|3,0,0]=4 1744 B11R1.266 [13CH3]Oc1cncc(c1)[N+](=O)[O-] 34a_100009862860_200025704644 [0,1,0,0,0,0|3,0,0]=4 1745 B11R1.266 [13CH3]Oc1cncc(c1)[N+](=O)[O-] 7a_100009862860_200025704644 [0,1,0,0,0,0|3,0,0]=4 1746 B11R1.266 [13CH3]Sc1cccc(c1)B(O)O 62a_100000687717_200025704644 [0,1,0,0,0,0|2,1,0]=4 1747 B11R1.266 [13CH3]Sc1cccc(c1)B(O)O 62a_200025704644_100000687717 [0,1,0,0,0,0|2,1,0]=4 1748 B11R1.266 [13CH3]Sc1cccc(c1)C(=O)N 62a_100000162208_200025704644 [0,1,0,0,0,0|2,1,0]=4 1749 B11R1.266 [13CH3]Sc1cccc(c1)C(=O)N 62a_200025704644_100000162208 [0,1,0,0,0,0|2,1,0]=4 1750 B11R1.266 [13CH3]Sc1cccc(c1)C(F)F 62a_100009892619_200025704644 [0,1,0,0,0,0|2,1,0]=4 1751 B11R1.266 [13CH3]Sc1cccc(c1)C(F)F 62a_200025704644_100009892619 [0,1,0,0,0,0|2,1,0]=4 1752 B11R1.267 C=Cc1cccc(c1C)OC 271570a_100011290941_100010002647 [0,1,0,0,0,0|1,0,1]=3 1753 B11R1.267 C=Cc1cccc(c1Cl)OC 271570a_100011290941_100010147677 [0,1,0,0,0,0|1,0,1]=3 1754 B11R1.267 C=Cc1cccc(c1F)OC 271570a_100011290941_100010185846 [0,1,0,0,0,0|1,0,1]=3 1755 B11R1.267 C=Cc1cccc(c1F)SC 62a_100010741937_200000210301 [0,1,0,0,0,0|1,1,1]=4 1756 B11R1.267 C=Cc1cccc(c1F)SC 62a_200000210301_100010741937 [0,1,0,0,0,0|1,1,1]=4 1757 B11R1.267 C=Cc1cccc(c1F)S[13CH3] 62a_100010741937_200025704644 [0,1,0,0,0,0|1,1,1]=4 1758 B11R1.267 C=Cc1cccc(c1F)S[13CH3] 62a_200025704644_100010741937 [0,1,0,0,0,0|1,1,1]=4 1759 B11R1.267 C=Cc1cccc(c1N)NC 271570a_100011290941_100000695761 [0,1,0,0,0,0|2,0,1]=4 1760 B11R1.267 C=Cc1cccc(c1N)OC 271570a_100011290941_100000708083 [0,1,0,0,0,0|1,0,1]=3 1761 B11R1.267 C=Cc1cccc(c1O)CC 271570a_100011290941_200010001580 [0,1,0,0,0,0|2,0,1]=4 1762 B11R1.267 C=Cc1cccc(c1O)OC 271570a_100011290941_100000686866 [0,1,0,0,0,0|1,0,1]=3 1763 B11R1.267 C=Cc1ccnc(c1C)OC 271570a_100011290941_100010068544 [0,1,0,0,0,0|2,0,1]=4 1764 B11R1.267 C=Cc1ccnc(c1F)OC 271570a_100011290941_100009885657 [0,1,0,0,0,0|2,0,1]=4 1765 B11R1.267 C=Cc1cncc(c1C)OC 271570a_100011290941_100010136163 [0,1,0,0,0,0|2,0,1]=4 1766 B11R1.267 C=Cc1nccc(c1C)OC 271570a_100011290941_100010067686 [0,1,0,0,0,0|2,0,1]=4 1767 B11R1.267 C=Cc1nccc(c1F)OC 271570a_100011290941_200010136267 [0,1,0,0,0,0|2,0,1]=4 1768 B11R1.267 C=Cc1nccc(c1N)OC 271570a_100011290941_100000100113 [0,1,0,0,0,0|2,0,1]=4 1769 B11R1.267 CCc1cccc(c1O)CC 271570a_203496583355_100010212195 [0,1,0,0,0,0|2,0,0]=3 1770 B11R1.267 CCc1cccc(c1O)SC 62a_200000210301_200010001580 [0,1,0,0,0,0|1,1,0]=3 1771 B11R1.267 CCc1cccc(c1O)SC 62a_200010001580_200000210301 [0,1,0,0,0,0|1,1,0]=3 1772 B11R1.267 CCc1cccc(c1O)S[13CH3] 62a_200010001580_200025704644 [0,1,0,0,0,0|1,1,0]=3 1773 B11R1.267 CCc1cccc(c1O)S[13CH3] 62a_200025704644_200010001580 [0,1,0,0,0,0|1,1,0]=3 1774 B11R1.267 CCc1ncnc(c1F)OC 34a_100011934678_200000210301 [0,1,0,0,0,0|3,0,0]=4 1775 B11R1.267 CCc1ncnc(c1F)O[13CH3] 34a_100011934678_200025704644 [0,1,0,0,0,0|3,0,0]=4 1776 B11R1.267 CNc1cccc(c1Br)C#N 34a_100009877206_200000210301 [0,1,0,0,0,0|3,0,0]=4 1777 B11R1.267 CNc1cccc(c1Br)OC 34a_100000703447_200000210301 [0,1,0,0,0,0|1,0,0]=2 1778 B11R1.267 CNc1cccc(c1C)CO 2230a_102495339961_200000210301 [0,1,0,0,0,0|3,0,0]=4 1779 B11R1.267 CNc1cccc(c1C)CO 34a_102495339961_200000210301 [0,1,0,0,0,0|3,0,0]=4 1780 B11R1.267 CNc1cccc(c1C)OC 34a_100011244893_200000210301 [0,1,0,0,0,0|1,0,0]=2 1781 B11R1.267 CNc1cccc(c1C)OC 7a_100011244893_200000210301 [0,1,0,0,0,0|1,0,0]=2 1782 B11R1.267 CNc1cccc(c1Cl)C#N 34a_100012184300_200000210301 [0,1,0,0,0,0|3,0,0]=4 1783 B11R1.267 CNc1cccc(c1Cl)OC 34a_100000089720_200000210301 [0,1,0,0,0,0|1,0,0]=2 1784 B11R1.267 CNc1cccc(c1F)C#N 34a_100000087142_200000210301 [0,1,0,0,0,0|3,0,0]=4 1785 B11R1.267 CNc1cccc(c1F)CO 34a_100012023829_200000210301 [0,1,0,0,0,0|3,0,0]=4 1786 B11R1.267 CNc1cccc(c1F)OC 34a_100000100910_200000210301 [0,1,0,0,0,0|1,0,0]=2 1787 B11R1.267 CNc1cccc(c1I)OC 34a_100010245509_200000210301 [0,1,0,0,0,0|1,0,0]=2 1788 B11R1.267 CNc1cccc(c1N)SC 62a_100000695761_200000210301 [0,1,0,0,0,0|1,1,0]=3 1789 B11R1.267 CNc1cccc(c1N)S[13CH3] 62a_100000695761_200025704644 [0,1,0,0,0,0|1,1,0]=3 1790 B11R1.267 CNc1cccc(c1O)OC 34a_100000123586_200000210301 [0,1,0,0,0,0|1,0,0]=2 1791 B11R1.267 CNc1ccnc(c1N)SC 62a_200000210301_200000076579 [0,1,0,0,0,0|2,1,0]=4 1792 B11R1.267 CNc1ccnc(c1N)S[13CH3] 62a_200025704644_200000076579 [0,1,0,0,0,0|2,1,0]=4 1793 B11R1.267 CNc1ncnc(c1C)OC 27a_100102657272_200011912725 [0,1,0,0,0,0|3,0,0]=4 1794 B11R1.267 COc1cccc(c1Br)C#N 34a_100009818990_200000210301 [0,1,0,0,0,0|2,0,0]=3 1795 B11R1.267 COc1cccc(c1Br)C#N 7a_100009818990_200000210301 [0,1,0,0,0,0|2,0,0]=3 1796 B11R1.267 COc1cccc(c1Br)N[13CH3] 34a_100000703447_200025704644 [0,1,0,0,0,0|1,0,0]=2 1797 B11R1.267 COc1cccc(c1Br)OC 34a_100010202623_200000210301 [0,1,0,0,0,0|0,0,0]=1 1798 B11R1.267 COc1cccc(c1Br)OC 7a_100010202623_200000210301 [0,1,0,0,0,0|0,0,0]=1 1799 B11R1.267 COc1cccc(c1Br)O[13CH3] 34a_100010202623_200025704644 [0,1,0,0,0,0|0,0,0]=1 1800 B11R1.267 COc1cccc(c1Br)O[13CH3] 7a_100010202623_200025704644 [0,1,0,0,0,0|0,0,0]=1 1801 B11R1.267 COc1cccc(c1Br)SC 62a_100010146559_200000210301 [0,1,0,0,0,0|0,1,0]=2 1802 B11R1.267 COc1cccc(c1Br)SC 62a_200000210301_100010146559 [0,1,0,0,0,0|0,1,0]=2 1803 B11R1.267 COc1cccc(c1Br)S[13CH3] 62a_100010146559_200025704644 [0,1,0,0,0,0|0,1,0]=2 1804 B11R1.267 COc1cccc(c1Br)S[13CH3] 62a_200025704644_100010146559 [0,1,0,0,0,0|0,1,0]=2 1805 B11R1.267 COc1cccc(c1C)C#N 34a_100000079589_200000210301 [0,1,0,0,0,0|2,0,0]=3 1806 B11R1.267 COc1cccc(c1C)C#N 7a_100000079589_200000210301 [0,1,0,0,0,0|2,0,0]=3 1807 B11R1.267 COc1cccc(c1C)CO 34a_200000084602_200000210301 [0,1,0,0,0,0|2,0,0]=3 1808 B11R1.267 COc1cccc(c1C)CO 7a_200000084602_200000210301 [0,1,0,0,0,0|2,0,0]=3 1809 B11R1.267 COc1cccc(c1C)N[13CH3] 34a_100011244893_200025704644 [0,1,0,0,0,0|1,0,0]=2 1810 B11R1.267 COc1cccc(c1C)N[13CH3] 7a_100011244893_200025704644 [0,1,0,0,0,0|1,0,0]=2 1811 B11R1.267 COc1cccc(c1C)SC 62a_100010002647_200000210301 [0,1,0,0,0,0|0,1,0]=2 1812 B11R1.267 COc1cccc(c1C)SC 62a_200000210301_100010002647 [0,1,0,0,0,0|0,1,0]=2 1813 B11R1.267 COc1cccc(c1C)S[13CH3] 62a_100010002647_200025704644 [0,1,0,0,0,0|0,1,0]=2 1814 B11R1.267 COc1cccc(c1C)S[13CH3] 62a_200025704644_100010002647 [0,1,0,0,0,0|0,1,0]=2 1815 B11R1.267 COc1cccc(c1Cl)C#N 34a_200009871651_200000210301 [0,1,0,0,0,0|2,0,0]=3 1816 B11R1.267 COc1cccc(c1Cl)C#N 7a_200009871651_200000210301 [0,1,0,0,0,0|2,0,0]=3 1817 B11R1.267 COc1cccc(c1Cl)N[13CH3] 34a_100000089720_200025704644 [0,1,0,0,0,0|1,0,0]=2 1818 B11R1.267 COc1cccc(c1Cl)OC 34a_100000087810_200000210301 [0,1,0,0,0,0|0,0,0]=1 1819 B11R1.267 COc1cccc(c1Cl)OC 7a_100000087810_200000210301 [0,1,0,0,0,0|0,0,0]=1 1820 B11R1.267 COc1cccc(c1Cl)O[13CH3] 34a_100000087810_200025704644 [0,1,0,0,0,0|0,0,0]=1 1821 B11R1.267 COc1cccc(c1Cl)O[13CH3] 7a_100000087810_200025704644 [0,1,0,0,0,0|0,0,0]=1 1822 B11R1.267 COc1cccc(c1Cl)SC 62a_100010147677_200000210301 [0,1,0,0,0,0|0,1,0]=2 1823 B11R1.267 COc1cccc(c1Cl)SC 62a_200000210301_100010147677 [0,1,0,0,0,0|0,1,0]=2 1824 B11R1.267 COc1cccc(c1Cl)S[13CH3] 62a_100010147677_200025704644 [0,1,0,0,0,0|0,1,0]=2 1825 B11R1.267 COc1cccc(c1Cl)S[13CH3] 62a_200025704644_100010147677 [0,1,0,0,0,0|0,1,0]=2 1826 B11R1.267 COc1cccc(c1F)C#N 34a_200000094591_200000210301 [0,1,0,0,0,0|2,0,0]=3 1827 B11R1.267 COc1cccc(c1F)C#N 7a_200000094591_200000210301 [0,1,0,0,0,0|2,0,0]=3 1828 B11R1.267 COc1cccc(c1F)CN 34a_100025773512_200000210301 [0,1,0,0,0,0|2,0,0]=3 1829 B11R1.267 COc1cccc(c1F)N[13CH3] 34a_100000100910_200025704644 [0,1,0,0,0,0|1,0,0]=2 1830 B11R1.267 COc1cccc(c1F)OC 34a_100000102366_200000210301 [0,1,0,0,0,0|0,0,0]=1 1831 B11R1.267 COc1cccc(c1F)OC 7a_100000102366_200000210301 [0,1,0,0,0,0|0,0,0]=1 1832 B11R1.267 COc1cccc(c1F)O[13CH3] 34a_100000102366_200025704644 [0,1,0,0,0,0|0,0,0]=1 1833 B11R1.267 COc1cccc(c1F)O[13CH3] 7a_100000102366_200025704644 [0,1,0,0,0,0|0,0,0]=1 1834 B11R1.267 COc1cccc(c1F)SC 62a_100010185846_200000210301 [0,1,0,0,0,0|0,1,0]=2 1835 B11R1.267 COc1cccc(c1F)SC 62a_200000210301_100010185846 [0,1,0,0,0,0|0,1,0]=2 1836 B11R1.267 COc1cccc(c1F)S[13CH3] 62a_100010185846_200025704644 [0,1,0,0,0,0|0,1,0]=2 1837 B11R1.267 COc1cccc(c1F)S[13CH3] 62a_200025704644_100010185846 [0,1,0,0,0,0|0,1,0]=2 1838 B11R1.267 COc1cccc(c1I)N[13CH3] 34a_100010245509_200025704644 [0,1,0,0,0,0|1,0,0]=2 1839 B11R1.267 COc1cccc(c1I)OC 34a_200010201982_200000210301 [0,1,0,0,0,0|0,0,0]=1 1840 B11R1.267 COc1cccc(c1I)OC 7a_200010201982_200000210301 [0,1,0,0,0,0|0,0,0]=1 1841 B11R1.267 COc1cccc(c1I)O[13CH3] 34a_200010201982_200025704644 [0,1,0,0,0,0|0,0,0]=1 1842 B11R1.267 COc1cccc(c1I)O[13CH3] 7a_200010201982_200025704644 [0,1,0,0,0,0|0,0,0]=1 1843 B11R1.267 COc1cccc(c1N)OC 34a_100012022766_200000210301 [0,1,0,0,0,0|0,0,0]=1 1844 B11R1.267 COc1cccc(c1N)OC 7a_100012022766_200000210301 [0,1,0,0,0,0|0,0,0]=1 1845 B11R1.267 COc1cccc(c1N)O[13CH3] 34a_100012022766_200025704644 [0,1,0,0,0,0|0,0,0]=1 1846 B11R1.267 COc1cccc(c1N)O[13CH3] 7a_100012022766_200025704644 [0,1,0,0,0,0|0,0,0]=1 1847 B11R1.267 COc1cccc(c1N)SC 62a_100000708083_200000210301 [0,1,0,0,0,0|0,1,0]=2 1848 B11R1.267 COc1cccc(c1N)S[13CH3] 62a_100000708083_200025704644 [0,1,0,0,0,0|0,1,0]=2 1849 B11R1.267 COc1cccc(c1O)CO 271570a_203496583355_100010236476 [0,1,0,0,0,0|2,0,0]=3 1850 B11R1.267 COc1cccc(c1O)N[13CH3] 34a_100000123586_200025704644 [0,1,0,0,0,0|1,0,0]=2 1851 B11R1.267 COc1cccc(c1O)OC 271570a_203496583355_100000050062 [0,1,0,0,0,0|0,0,0]=1 1852 B11R1.267 COc1cccc(c1O)SC 62a_200000210301_100000686866 [0,1,0,0,0,0|0,1,0]=2 1853 B11R1.267 COc1cccc(c1O)S[13CH3] 62a_200025704644_100000686866 [0,1,0,0,0,0|0,1,0]=2 1854 B11R1.267 COc1ccnc(c1C)SC 62a_100010067686_200000210301 [0,1,0,0,0,0|1,1,0]=3 1855 B11R1.267 COc1ccnc(c1C)SC 62a_200000210301_100010067686 [0,1,0,0,0,0|1,1,0]=3 1856 B11R1.267 COc1ccnc(c1C)S[13CH3] 62a_100010067686_200025704644 [0,1,0,0,0,0|1,1,0]=3 1857 B11R1.267 COc1ccnc(c1C)S[13CH3] 62a_200025704644_100010067686 [0,1,0,0,0,0|1,1,0]=3 1858 B11R1.267 COc1ccnc(c1F)SC 62a_200000210301_200010136267 [0,1,0,0,0,0|1,1,0]=3 1859 B11R1.267 COc1ccnc(c1F)SC 62a_200010136267_200000210301 [0,1,0,0,0,0|1,1,0]=3 1860 B11R1.267 COc1ccnc(c1F)S[13CH3] 62a_200010136267_200025704644 [0,1,0,0,0,0|1,1,0]=3 1861 B11R1.267 COc1ccnc(c1F)S[13CH3] 62a_200025704644_200010136267 [0,1,0,0,0,0|1,1,0]=3 1862 B11R1.267 COc1ccnc(c1N)SC 62a_100010233645_200000210301 [0,1,0,0,0,0|1,1,0]=3 1863 B11R1.267 COc1ccnc(c1N)SC 62a_200000210301_100000100113 [0,1,0,0,0,0|1,1,0]=3 1864 B11R1.267 COc1ccnc(c1N)S[13CH3] 62a_100010233645_200025704644 [0,1,0,0,0,0|1,1,0]=3 1865 B11R1.267 COc1ccnc(c1N)S[13CH3] 62a_200025704644_100000100113 [0,1,0,0,0,0|1,1,0]=3 1866 B11R1.267 COc1ccnc(c1O)OC 271570a_203496583355_100010114374 [0,1,0,0,0,0|1,0,0]=2 1867 B11R1.267 COc1cncc(c1C)SC 62a_100010136163_200000210301 [0,1,0,0,0,0|1,1,0]=3 1868 B11R1.267 COc1cncc(c1C)SC 62a_200000210301_100010136163 [0,1,0,0,0,0|1,1,0]=3 1869 B11R1.267 COc1cncc(c1C)S[13CH3] 62a_100010136163_200025704644 [0,1,0,0,0,0|1,1,0]=3 1870 B11R1.267 COc1cncc(c1C)S[13CH3] 62a_200025704644_100010136163 [0,1,0,0,0,0|1,1,0]=3 1871 B11R1.267 COc1cncc(c1O)OC 271570a_203496583355_200010191558 [0,1,0,0,0,0|1,0,0]=2 1872 B11R1.267 COc1cnnc(c1O)OC 271570a_203496583355_100009871623 [0,1,0,0,0,0|2,0,0]=3 1873 B11R1.267 COc1nccc(c1C)SC 62a_100010068544_200000210301 [0,1,0,0,0,0|1,1,0]=3 1874 B11R1.267 COc1nccc(c1C)SC 62a_200000210301_100010068544 [0,1,0,0,0,0|1,1,0]=3 1875 B11R1.267 COc1nccc(c1C)S[13CH3] 62a_100010068544_200025704644 [0,1,0,0,0,0|1,1,0]=3 1876 B11R1.267 COc1nccc(c1C)S[13CH3] 62a_200025704644_100010068544 [0,1,0,0,0,0|1,1,0]=3 1877 B11R1.267 COc1nccc(c1F)SC 62a_100009885657_200000210301 [0,1,0,0,0,0|1,1,0]=3 1878 B11R1.267 COc1nccc(c1F)SC 62a_200000210301_100009885657 [0,1,0,0,0,0|1,1,0]=3 1879 B11R1.267 COc1nccc(c1F)S[13CH3] 62a_100009885657_200025704644 [0,1,0,0,0,0|1,1,0]=3 1880 B11R1.267 COc1nccc(c1F)S[13CH3] 62a_200025704644_100009885657 [0,1,0,0,0,0|1,1,0]=3 1881 B11R1.267 COc1nccc(c1O)C#N 271570a_203496583355_200000050020 [0,1,0,0,0,0|3,0,0]=4 1882 B11R1.267 COc1ncnc(c1C)SC 62a_200000210301_200011912725 [0,1,0,0,0,0|2,1,0]=4 1883 B11R1.267 COc1ncnc(c1C)SC 62a_200011912725_200000210301 [0,1,0,0,0,0|2,1,0]=4 1884 B11R1.267 COc1ncnc(c1C)S[13CH3] 62a_200011912725_200025704644 [0,1,0,0,0,0|2,1,0]=4 1885 B11R1.267 COc1ncnc(c1C)S[13CH3] 62a_200025704644_200011912725 [0,1,0,0,0,0|2,1,0]=4 1886 B11R1.267 COc1ncnc(c1N)SC 62a_100000686339_200000210301 [0,1,0,0,0,0|2,1,0]=4 1887 B11R1.267 COc1ncnc(c1N)SC 62a_200000210301_100000686339 [0,1,0,0,0,0|2,1,0]=4 1888 B11R1.267 COc1ncnc(c1N)S[13CH3] 62a_100000686339_200025704644 [0,1,0,0,0,0|2,1,0]=4 1889 B11R1.267 COc1ncnc(c1N)S[13CH3] 62a_200025704644_100000686339 [0,1,0,0,0,0|2,1,0]=4 1890 B11R1.267 COc1ncnc(c1O)OC 271570a_203496583355_100009995502 [0,1,0,0,0,0|2,0,0]=3 1891 B11R1.267 CSc1cccc(c1Br)CO 62a_100010240205_200000210301 [0,1,0,0,0,0|2,1,0]=4 1892 B11R1.267 CSc1cccc(c1Br)CO 62a_200000210301_100010240205 [0,1,0,0,0,0|2,1,0]=4 1893 B11R1.267 CSc1cccc(c1C)C#N 62a_200000210301_100000721996 [0,1,0,0,0,0|2,1,0]=4 1894 B11R1.267 CSc1cccc(c1C)C=O 62a_100012179384_200000210301 [0,1,0,0,0,0|2,1,0]=4 1895 B11R1.267 CSc1cccc(c1C)C=O 62a_200000210301_100012179384 [0,1,0,0,0,0|2,1,0]=4 1896 B11R1.267 CSc1cccc(c1C)CN 62a_100000724210_200000210301 [0,1,0,0,0,0|2,1,0]=4 1897 B11R1.267 CSc1cccc(c1C)CN 62a_200000210301_100000724210 [0,1,0,0,0,0|2,1,0]=4 1898 B11R1.267 CSc1cccc(c1C)CO 62a_100000694458_200000210301 [0,1,0,0,0,0|2,1,0]=4 1899 B11R1.267 CSc1cccc(c1C)CO 62a_200000210301_100000694458 [0,1,0,0,0,0|2,1,0]=4 1900 B11R1.267 CSc1cccc(c1F)C#N 62a_200000210301_100000239898 [0,1,0,0,0,0|2,1,0]=4 1901 B11R1.267 CSc1cccc(c1F)C=O 62a_100000766533_200000210301 [0,1,0,0,0,0|2,1,0]=4 1902 B11R1.267 CSc1cccc(c1F)C=O 62a_200000210301_100000766533 [0,1,0,0,0,0|2,1,0]=4 1903 B11R1.267 CSc1cccc(c1F)CN 62a_100015189953_200000210301 [0,1,0,0,0,0|2,1,0]=4 1904 B11R1.267 CSc1cccc(c1F)CN 62a_200000210301_100015189953 [0,1,0,0,0,0|2,1,0]=4 1905 B11R1.267 CSc1cccc(c1F)CO 62a_100011935076_200000210301 [0,1,0,0,0,0|2,1,0]=4 1906 B11R1.267 CSc1cccc(c1F)CO 62a_200000210301_100011935076 [0,1,0,0,0,0|2,1,0]=4 1907 B11R1.267 CSc1cccc(c1N)C#N 62a_200000210301_100011934406 [0,1,0,0,0,0|2,1,0]=4 1908 B11R1.267 CSc1cccc(c1N)C=O 62a_100010144990_200000210301 [0,1,0,0,0,0|2,1,0]=4 1909 B11R1.267 CSc1cccc(c1N)CO 62a_100012349457_200000210301 [0,1,0,0,0,0|2,1,0]=4 1910 B11R1.267 CSc1cccc(c1N)CO 62a_200000210301_100012349457 [0,1,0,0,0,0|2,1,0]=4 1911 B11R1.267 CSc1cccc(c1O)C#N 62a_200000210301_100009817103 [0,1,0,0,0,0|2,1,0]=4 1912 B11R1.267 CSc1cccc(c1O)C=O 62a_200000210301_100010171435 [0,1,0,0,0,0|2,1,0]=4 1913 B11R1.267 CSc1ccnc(c1F)SC 62a_200000210301_200021123860 [0,1,0,0,0,0|1,2,0]=4 1914 B11R1.267 CSc1ccnc(c1F)SC 62a_200021123860_200000210301 [0,1,0,0,0,0|1,2,0]=4 1915 B11R1.267 CSc1ccnc(c1F)S[13CH3] 62a_200021123860_200025704644 [0,1,0,0,0,0|1,2,0]=4 1916 B11R1.267 CSc1ccnc(c1F)S[13CH3] 62a_200025704644_200021123860 [0,1,0,0,0,0|1,2,0]=4 1917 B11R1.267 Cc1c(cccc1N[13CH3])CO 2230a_102495339961_200025704644 [0,1,0,0,0,0|3,0,0]=4 1918 B11R1.267 Cc1c(cccc1N[13CH3])CO 34a_102495339961_200025704644 [0,1,0,0,0,0|3,0,0]=4 1919 B11R1.267 Cc1c(cccc1O[13CH3])C#N 34a_100000079589_200025704644 [0,1,0,0,0,0|2,0,0]=3 1920 B11R1.267 Cc1c(cccc1O[13CH3])C#N 7a_100000079589_200025704644 [0,1,0,0,0,0|2,0,0]=3 1921 B11R1.267 Cc1c(cccc1O[13CH3])CO 34a_200000084602_200025704644 [0,1,0,0,0,0|2,0,0]=3 1922 B11R1.267 Cc1c(cccc1O[13CH3])CO 7a_200000084602_200025704644 [0,1,0,0,0,0|2,0,0]=3 1923 B11R1.267 Cc1c(cccc1S[13CH3])C#N 62a_200025704644_100000721996 [0,1,0,0,0,0|2,1,0]=4 1924 B11R1.267 Cc1c(cccc1S[13CH3])C=O 62a_100012179384_200025704644 [0,1,0,0,0,0|2,1,0]=4 1925 B11R1.267 Cc1c(cccc1S[13CH3])C=O 62a_200025704644_100012179384 [0,1,0,0,0,0|2,1,0]=4 1926 B11R1.267 Cc1c(cccc1S[13CH3])CN 62a_100000724210_200025704644 [0,1,0,0,0,0|2,1,0]=4 1927 B11R1.267 Cc1c(cccc1S[13CH3])CN 62a_200025704644_100000724210 [0,1,0,0,0,0|2,1,0]=4 1928 B11R1.267 Cc1c(cccc1S[13CH3])CO 62a_100000694458_200025704644 [0,1,0,0,0,0|2,1,0]=4 1929 B11R1.267 Cc1c(cccc1S[13CH3])CO 62a_200025704644_100000694458 [0,1,0,0,0,0|2,1,0]=4 1930 B11R1.267 [13CH3]Nc1cccc(c1Br)C#N 34a_100009877206_200025704644 [0,1,0,0,0,0|3,0,0]=4 1931 B11R1.267 [13CH3]Nc1cccc(c1Cl)C#N 34a_100012184300_200025704644 [0,1,0,0,0,0|3,0,0]=4 1932 B11R1.267 [13CH3]Nc1cccc(c1F)C#N 34a_100000087142_200025704644 [0,1,0,0,0,0|3,0,0]=4 1933 B11R1.267 [13CH3]Nc1cccc(c1F)CO 34a_100012023829_200025704644 [0,1,0,0,0,0|3,0,0]=4 1934 B11R1.267 [13CH3]Oc1cccc(c1Br)C#N 34a_100009818990_200025704644 [0,1,0,0,0,0|2,0,0]=3 1935 B11R1.267 [13CH3]Oc1cccc(c1Br)C#N 7a_100009818990_200025704644 [0,1,0,0,0,0|2,0,0]=3 1936 B11R1.267 [13CH3]Oc1cccc(c1Cl)C#N 34a_200009871651_200025704644 [0,1,0,0,0,0|2,0,0]=3 1937 B11R1.267 [13CH3]Oc1cccc(c1Cl)C#N 7a_200009871651_200025704644 [0,1,0,0,0,0|2,0,0]=3 1938 B11R1.267 [13CH3]Oc1cccc(c1F)C#N 34a_200000094591_200025704644 [0,1,0,0,0,0|2,0,0]=3 1939 B11R1.267 [13CH3]Oc1cccc(c1F)C#N 7a_200000094591_200025704644 [0,1,0,0,0,0|2,0,0]=3 1940 B11R1.267 [13CH3]Oc1cccc(c1F)CN 34a_100025773512_200025704644 [0,1,0,0,0,0|2,0,0]=3 1941 B11R1.267 [13CH3]Sc1cccc(c1Br)CO 62a_100010240205_200025704644 [0,1,0,0,0,0|2,1,0]=4 1942 B11R1.267 [13CH3]Sc1cccc(c1Br)CO 62a_200025704644_100010240205 [0,1,0,0,0,0|2,1,0]=4 1943 B11R1.267 [13CH3]Sc1cccc(c1F)C#N 62a_200025704644_100000239898 [0,1,0,0,0,0|2,1,0]=4 1944 B11R1.267 [13CH3]Sc1cccc(c1F)C=O 62a_100000766533_200025704644 [0,1,0,0,0,0|2,1,0]=4 1945 B11R1.267 [13CH3]Sc1cccc(c1F)C=O 62a_200025704644_100000766533 [0,1,0,0,0,0|2,1,0]=4 1946 B11R1.267 [13CH3]Sc1cccc(c1F)CN 62a_100015189953_200025704644 [0,1,0,0,0,0|2,1,0]=4 1947 B11R1.267 [13CH3]Sc1cccc(c1F)CN 62a_200025704644_100015189953 [0,1,0,0,0,0|2,1,0]=4 1948 B11R1.267 [13CH3]Sc1cccc(c1F)CO 62a_100011935076_200025704644 [0,1,0,0,0,0|2,1,0]=4 1949 B11R1.267 [13CH3]Sc1cccc(c1F)CO 62a_200025704644_100011935076 [0,1,0,0,0,0|2,1,0]=4 1950 B11R1.267 [13CH3]Sc1cccc(c1N)C#N 62a_200025704644_100011934406 [0,1,0,0,0,0|2,1,0]=4 1951 B11R1.267 [13CH3]Sc1cccc(c1N)C=O 62a_100010144990_200025704644 [0,1,0,0,0,0|2,1,0]=4 1952 B11R1.267 [13CH3]Sc1cccc(c1N)CO 62a_100012349457_200025704644 [0,1,0,0,0,0|2,1,0]=4 1953 B11R1.267 [13CH3]Sc1cccc(c1N)CO 62a_200025704644_100012349457 [0,1,0,0,0,0|2,1,0]=4 1954 B11R1.267 [13CH3]Sc1cccc(c1O)C#N 62a_200025704644_100009817103 [0,1,0,0,0,0|2,1,0]=4 1955 B11R1.267 [13CH3]Sc1cccc(c1O)C=O 62a_200025704644_100010171435 [0,1,0,0,0,0|2,1,0]=4 1956 B11R1.280 C#Cc1cc(ccc1C)NC 2230a_200012017271_200000210301 [0,1,0,0,0,0|2,0,1]=4 1957 B11R1.280 C#Cc1cc(ccc1C)NC 34a_200012017271_200000210301 [0,1,0,0,0,0|2,0,1]=4 1958 B11R1.280 C#Cc1cc(ccc1C)N[13CH3] 2230a_200012017271_200025704644 [0,1,0,0,0,0|2,0,1]=4 1959 B11R1.280 C#Cc1cc(ccc1C)N[13CH3] 34a_200012017271_200025704644 [0,1,0,0,0,0|2,0,1]=4 1960 B11R1.280 C#Cc1cc(ccc1Cl)NC 2230a_103624766972_200000210301 [0,1,0,0,0,0|2,0,1]=4 1961 B11R1.280 C#Cc1cc(ccc1Cl)NC 34a_103624766972_200000210301 [0,1,0,0,0,0|2,0,1]=4 1962 B11R1.280 C#Cc1cc(ccc1Cl)N[13CH3] 2230a_103624766972_200025704644 [0,1,0,0,0,0|2,0,1]=4 1963 B11R1.280 C#Cc1cc(ccc1Cl)N[13CH3] 34a_103624766972_200025704644 [0,1,0,0,0,0|2,0,1]=4 1964 B11R1.280 C#Cc1cc(ccc1F)NC 2230a_200011999510_200000210301 [0,1,0,0,0,0|2,0,1]=4 1965 B11R1.280 C#Cc1cc(ccc1F)NC 34a_200011999510_200000210301 [0,1,0,0,0,0|2,0,1]=4 1966 B11R1.280 C#Cc1cc(ccc1F)N[13CH3] 2230a_200011999510_200025704644 [0,1,0,0,0,0|2,0,1]=4 1967 B11R1.280 C#Cc1cc(ccc1F)N[13CH3] 34a_200011999510_200025704644 [0,1,0,0,0,0|2,0,1]=4 1968 B11R1.280 C#Cc1ccc(c(c1)NC)C 2230a_100012022948_200000210301 [0,1,0,0,0,0|2,0,1]=4 1969 B11R1.280 C#Cc1ccc(c(c1)NC)C 34a_100012022948_200000210301 [0,1,0,0,0,0|2,0,1]=4 1970 B11R1.280 C#Cc1ccc(c(c1)NC)C 7a_100012022948_200000210301 [0,1,0,0,0,0|2,0,1]=4 1971 B11R1.280 C#Cc1ccc(c(c1)NC)F 34a_100000100531_200000210301 [0,1,0,0,0,0|2,0,1]=4 1972 B11R1.280 C#Cc1ccc(c(c1)N[13CH3])C 2230a_100012022948_200025704644 [0,1,0,0,0,0|2,0,1]=4 1973 B11R1.280 C#Cc1ccc(c(c1)N[13CH3])C 34a_100012022948_200025704644 [0,1,0,0,0,0|2,0,1]=4 1974 B11R1.280 C#Cc1ccc(c(c1)N[13CH3])C 7a_100012022948_200025704644 [0,1,0,0,0,0|2,0,1]=4 1975 B11R1.280 C#Cc1ccc(c(c1)N[13CH3])F 34a_100000100531_200025704644 [0,1,0,0,0,0|2,0,1]=4 1976 B11R1.280 C=Cc1c[nH]c(=O)c(c1)OC 271570a_100011290941_100010125397 [0,1,0,0,0,0|2,0,1]=4 1977 B11R1.280 C=Cc1cc(c(cn1)C)OC 271570a_100011290941_100010067687 [0,1,0,0,0,0|2,0,1]=4 1978 B11R1.280 C=Cc1cc(c(cn1)F)OC 271570a_100011290941_200010136270 [0,1,0,0,0,0|2,0,1]=4 1979 B11R1.280 C=Cc1cc(c(cn1)N)OC 271570a_100011290941_100009887741 [0,1,0,0,0,0|2,0,1]=4 1980 B11R1.280 C=Cc1cc(ccc1Br)OC 271570a_100011290941_100009992028 [0,1,0,0,0,0|1,0,1]=3 1981 B11R1.280 C=Cc1cc(ccc1C)NC 271570a_100011290941_100000707694 [0,1,0,0,0,0|2,0,1]=4 1982 B11R1.280 C=Cc1cc(ccc1C)OC 271570a_100011290941_100012349166 [0,1,0,0,0,0|1,0,1]=3 1983 B11R1.280 C=Cc1cc(ccc1Cl)OC 271570a_100011290941_100011356938 [0,1,0,0,0,0|1,0,1]=3 1984 B11R1.280 C=Cc1cc(ccc1F)CC 271570a_100011290941_200010244628 [0,1,0,0,0,0|2,0,1]=4 1985 B11R1.280 C=Cc1cc(ccc1F)OC 271570a_100011290941_100000699733 [0,1,0,0,0,0|1,0,1]=3 1986 B11R1.280 C=Cc1cc(ccc1F)SC 271570a_100011290941_200010708804 [0,1,0,0,0,0|1,1,1]=4 1987 B11R1.280 C=Cc1cc(ccc1F)SC 62a_100000688377_200000210301 [0,1,0,0,0,0|1,1,1]=4 1988 B11R1.280 C=Cc1cc(ccc1F)SC 62a_200000210301_100000688377 [0,1,0,0,0,0|1,1,1]=4 1989 B11R1.280 C=Cc1cc(ccc1F)S[13CH3] 62a_100000688377_200025704644 [0,1,0,0,0,0|1,1,1]=4 1990 B11R1.280 C=Cc1cc(ccc1F)S[13CH3] 62a_200025704644_100000688377 [0,1,0,0,0,0|1,1,1]=4 1991 B11R1.280 C=Cc1cc(ccc1N)CC 271570a_100011290941_100012339725 [0,1,0,0,0,0|2,0,1]=4 1992 B11R1.280 C=Cc1cc(ccc1N)OC 271570a_100011290941_100015195136 [0,1,0,0,0,0|1,0,1]=3 1993 B11R1.280 C=Cc1cc(ccc1O)CC 271570a_100011290941_100012339963 [0,1,0,0,0,0|2,0,1]=4 1994 B11R1.280 C=Cc1cc(ccc1O)OC 271570a_100011290941_100000685887 [0,1,0,0,0,0|1,0,1]=3 1995 B11R1.280 C=Cc1cc(cnc1F)OC 271570a_100011290941_100010068374 [0,1,0,0,0,0|2,0,1]=4 1996 B11R1.280 C=Cc1cc(ncc1C)OC 271570a_100011290941_100010068546 [0,1,0,0,0,0|2,0,1]=4 1997 B11R1.280 C=Cc1cc(ncc1Cl)OC 271570a_100011290941_100010068019 [0,1,0,0,0,0|2,0,1]=4 1998 B11R1.280 C=Cc1cc(ncc1F)OC 271570a_100011290941_100010160775 [0,1,0,0,0,0|2,0,1]=4 1999 B11R1.280 C=Cc1ccc(c(c1)CC)Br 271570a_100011290941_100010244631 [0,1,0,0,0,0|2,0,1]=4 2000 B11R1.280 C=Cc1ccc(c(c1)CC)F 271570a_100011290941_100010244625 [0,1,0,0,0,0|2,0,1]=4 2001 B11R1.280 C=Cc1ccc(c(c1)CC)N 271570a_100011290941_100000686106 [0,1,0,0,0,0|2,0,1]=4 2002 B11R1.280 C=Cc1ccc(c(c1)CC)O 271570a_100011290941_100012338938 [0,1,0,0,0,0|2,0,1]=4 2003 B11R1.280 C=Cc1ccc(c(c1)NC)C 271570a_100011290941_100020629602 [0,1,0,0,0,0|2,0,1]=4 2004 B11R1.280 C=Cc1ccc(c(c1)NC)F 271570a_100011290941_100011314990 [0,1,0,0,0,0|2,0,1]=4 2005 B11R1.280 C=Cc1ccc(c(c1)NC)N 271570a_100011290941_100000694363 [0,1,0,0,0,0|2,0,1]=4 2006 B11R1.280 C=Cc1ccc(c(c1)OC)Br 271570a_100011290941_100012353699 [0,1,0,0,0,0|1,0,1]=3 2007 B11R1.280 C=Cc1ccc(c(c1)OC)C 271570a_100011290941_100011830276 [0,1,0,0,0,0|1,0,1]=3 2008 B11R1.280 C=Cc1ccc(c(c1)OC)Cl 271570a_100011290941_100011356853 [0,1,0,0,0,0|1,0,1]=3 2009 B11R1.280 C=Cc1ccc(c(c1)OC)F 271570a_100011290941_100011934186 [0,1,0,0,0,0|1,0,1]=3 2010 B11R1.280 C=Cc1ccc(c(c1)OC)N 271570a_100011290941_100011279103 [0,1,0,0,0,0|1,0,1]=3 2011 B11R1.280 C=Cc1ccc(c(c1)OC)O 271570a_100011290941_100000694246 [0,1,0,0,0,0|1,0,1]=3 2012 B11R1.280 C=Cc1ccc(c(c1)SC)F 271570a_100011290941_100010341305 [0,1,0,0,0,0|1,1,1]=4 2013 B11R1.280 C=Cc1ccc(c(n1)OC)N 271570a_100011290941_100000687816 [0,1,0,0,0,0|2,0,1]=4 2014 B11R1.280 C=Cc1ccc(c(n1)OC)O 271570a_100011290941_100010893133 [0,1,0,0,0,0|2,0,1]=4 2015 B11R1.280 C=Cc1cnc(c(c1)OC)C 271570a_100011290941_100010254219 [0,1,0,0,0,0|2,0,1]=4 2016 B11R1.280 C=Cc1cnc(c(c1)OC)F 271570a_100011290941_100010214931 [0,1,0,0,0,0|2,0,1]=4 2017 B11R1.280 C=Cc1cnc(c(c1)OC)N 271570a_100011290941_106354213024 [0,1,0,0,0,0|2,0,1]=4 2018 B11R1.280 C=Cc1nc(ccc1N)OC 271570a_100011290941_100000069805 [0,1,0,0,0,0|2,0,1]=4 2019 B11R1.280 CCc1cc(ccc1Br)NC 2230a_100010109747_200000210301 [0,1,0,0,0,0|2,0,0]=3 2020 B11R1.280 CCc1cc(ccc1Br)NC 34a_100010109747_200000210301 [0,1,0,0,0,0|2,0,0]=3 2021 B11R1.280 CCc1cc(ccc1Br)NC 7a_100010109747_200000210301 [0,1,0,0,0,0|2,0,0]=3 2022 B11R1.280 CCc1cc(ccc1Br)N[13CH3] 2230a_100010109747_200025704644 [0,1,0,0,0,0|2,0,0]=3 2023 B11R1.280 CCc1cc(ccc1Br)N[13CH3] 34a_100010109747_200025704644 [0,1,0,0,0,0|2,0,0]=3 2024 B11R1.280 CCc1cc(ccc1Br)N[13CH3] 7a_100010109747_200025704644 [0,1,0,0,0,0|2,0,0]=3 2025 B11R1.280 CCc1cc(ccc1Br)SC 62a_100010244631_200000210301 [0,1,0,0,0,0|1,1,0]=3 2026 B11R1.280 CCc1cc(ccc1Br)SC 62a_200000210301_100010244631 [0,1,0,0,0,0|1,1,0]=3 2027 B11R1.280 CCc1cc(ccc1Br)S[13CH3] 62a_100010244631_200025704644 [0,1,0,0,0,0|1,1,0]=3 2028 B11R1.280 CCc1cc(ccc1Br)S[13CH3] 62a_200025704644_100010244631 [0,1,0,0,0,0|1,1,0]=3 2029 B11R1.280 CCc1cc(ccc1Cl)OC 34a_100000212063_200000210301 [0,1,0,0,0,0|1,0,0]=2 2030 B11R1.280 CCc1cc(ccc1Cl)OC 7a_100000212063_200000210301 [0,1,0,0,0,0|1,0,0]=2 2031 B11R1.280 CCc1cc(ccc1Cl)O[13CH3] 34a_100000212063_200025704644 [0,1,0,0,0,0|1,0,0]=2 2032 B11R1.280 CCc1cc(ccc1Cl)O[13CH3] 7a_100000212063_200025704644 [0,1,0,0,0,0|1,0,0]=2 2033 B11R1.280 CCc1cc(ccc1F)SC 62a_100010244625_200000210301 [0,1,0,0,0,0|1,1,0]=3 2034 B11R1.280 CCc1cc(ccc1F)SC 62a_200000210301_100010244625 [0,1,0,0,0,0|1,1,0]=3 2035 B11R1.280 CCc1cc(ccc1F)S[13CH3] 62a_100010244625_200025704644 [0,1,0,0,0,0|1,1,0]=3 2036 B11R1.280 CCc1cc(ccc1F)S[13CH3] 62a_200025704644_100010244625 [0,1,0,0,0,0|1,1,0]=3 2037 B11R1.280 CCc1cc(ccc1N)SC 62a_100000686106_200000210301 [0,1,0,0,0,0|1,1,0]=3 2038 B11R1.280 CCc1cc(ccc1N)SC 62a_200000210301_100000686106 [0,1,0,0,0,0|1,1,0]=3 2039 B11R1.280 CCc1cc(ccc1N)S[13CH3] 62a_100000686106_200025704644 [0,1,0,0,0,0|1,1,0]=3 2040 B11R1.280 CCc1cc(ccc1N)S[13CH3] 62a_200025704644_100000686106 [0,1,0,0,0,0|1,1,0]=3 2041 B11R1.280 CCc1cc(ccc1O)C#N 271570a_203496583355_100010115944 [0,1,0,0,0,0|3,0,0]=4 2042 B11R1.280 CCc1cc(ccc1O)OC 271570a_203496583355_100000720562 [0,1,0,0,0,0|1,0,0]=2 2043 B11R1.280 CCc1cc(ccc1O)SC 62a_200000210301_100012338938 [0,1,0,0,0,0|1,1,0]=3 2044 B11R1.280 CCc1cc(ccc1O)S[13CH3] 62a_200025704644_100012338938 [0,1,0,0,0,0|1,1,0]=3 2045 B11R1.280 CCc1ccc(c(c1)NC)C 2230a_200012022522_200000210301 [0,1,0,0,0,0|2,0,0]=3 2046 B11R1.280 CCc1ccc(c(c1)NC)C 34a_200012022522_200000210301 [0,1,0,0,0,0|2,0,0]=3 2047 B11R1.280 CCc1ccc(c(c1)NC)C 7a_200012022522_200000210301 [0,1,0,0,0,0|2,0,0]=3 2048 B11R1.280 CCc1ccc(c(c1)NC)O 34a_100000765835_200000210301 [0,1,0,0,0,0|2,0,0]=3 2049 B11R1.280 CCc1ccc(c(c1)N[13CH3])C 2230a_200012022522_200025704644 [0,1,0,0,0,0|2,0,0]=3 2050 B11R1.280 CCc1ccc(c(c1)N[13CH3])C 34a_200012022522_200025704644 [0,1,0,0,0,0|2,0,0]=3 2051 B11R1.280 CCc1ccc(c(c1)N[13CH3])C 7a_200012022522_200025704644 [0,1,0,0,0,0|2,0,0]=3 2052 B11R1.280 CCc1ccc(c(c1)N[13CH3])O 34a_100000765835_200025704644 [0,1,0,0,0,0|2,0,0]=3 2053 B11R1.280 CCc1ccc(c(c1)OC)N 34a_100000124328_200000210301 [0,1,0,0,0,0|1,0,0]=2 2054 B11R1.280 CCc1ccc(c(c1)OC)N 7a_100000124328_200000210301 [0,1,0,0,0,0|1,0,0]=2 2055 B11R1.280 CCc1ccc(c(c1)OC)O 271570a_203496583355_200010710389 [0,1,0,0,0,0|1,0,0]=2 2056 B11R1.280 CCc1ccc(c(c1)O[13CH3])N 34a_100000124328_200025704644 [0,1,0,0,0,0|1,0,0]=2 2057 B11R1.280 CCc1ccc(c(c1)O[13CH3])N 7a_100000124328_200025704644 [0,1,0,0,0,0|1,0,0]=2 2058 B11R1.280 CCc1ccc(c(c1)SC)F 62a_200000210301_200010244628 [0,1,0,0,0,0|1,1,0]=3 2059 B11R1.280 CCc1ccc(c(c1)SC)F 62a_200010244628_200000210301 [0,1,0,0,0,0|1,1,0]=3 2060 B11R1.280 CCc1ccc(c(c1)SC)N 62a_100012339725_200000210301 [0,1,0,0,0,0|1,1,0]=3 2061 B11R1.280 CCc1ccc(c(c1)SC)N 62a_200000210301_100012339725 [0,1,0,0,0,0|1,1,0]=3 2062 B11R1.280 CCc1ccc(c(c1)SC)O 62a_100012339963_200000210301 [0,1,0,0,0,0|1,1,0]=3 2063 B11R1.280 CCc1ccc(c(c1)SC)O 62a_200000210301_100012339963 [0,1,0,0,0,0|1,1,0]=3 2064 B11R1.280 CCc1ccc(c(c1)S[13CH3])F 62a_200010244628_200025704644 [0,1,0,0,0,0|1,1,0]=3 2065 B11R1.280 CCc1ccc(c(c1)S[13CH3])F 62a_200025704644_200010244628 [0,1,0,0,0,0|1,1,0]=3 2066 B11R1.280 CCc1ccc(c(c1)S[13CH3])N 62a_100012339725_200025704644 [0,1,0,0,0,0|1,1,0]=3 2067 B11R1.280 CCc1ccc(c(c1)S[13CH3])N 62a_200025704644_100012339725 [0,1,0,0,0,0|1,1,0]=3 2068 B11R1.280 CCc1ccc(c(c1)S[13CH3])O 62a_100012339963_200025704644 [0,1,0,0,0,0|1,1,0]=3 2069 B11R1.280 CCc1ccc(c(c1)S[13CH3])O 62a_200025704644_100012339963 [0,1,0,0,0,0|1,1,0]=3 2070 B11R1.280 CCc1nc(ccc1N)SC 62a_100009871203_200000210301 [0,1,0,0,0,0|2,1,0]=4 2071 B11R1.280 CCc1nc(ccc1N)SC 62a_200000210301_100009871203 [0,1,0,0,0,0|2,1,0]=4 2072 B11R1.280 CCc1nc(ccc1N)S[13CH3] 62a_100009871203_200025704644 [0,1,0,0,0,0|2,1,0]=4 2073 B11R1.280 CCc1nc(ccc1N)S[13CH3] 62a_200025704644_100009871203 [0,1,0,0,0,0|2,1,0]=4 2074 B11R1.280 CCn1cc(ccc1=O)SC 62a_100000231005_200000210301 [0,1,0,0,0,0|2,1,0]=4 2075 B11R1.280 CCn1cc(ccc1=O)SC 62a_200000210301_100000231005 [0,1,0,0,0,0|2,1,0]=4 2076 B11R1.280 CCn1cc(ccc1=O)S[13CH3] 62a_100000231005_200025704644 [0,1,0,0,0,0|2,1,0]=4 2077 B11R1.280 CCn1cc(ccc1=O)S[13CH3] 62a_200025704644_100000231005 [0,1,0,0,0,0|2,1,0]=4 2078 B11R1.280 CNc1cc(ccc1Br)C#N 34a_100012001879_200000210301 [0,1,0,0,0,0|3,0,0]=4 2079 B11R1.280 CNc1cc(ccc1Br)C#N 7a_100012001879_200000210301 [0,1,0,0,0,0|3,0,0]=4 2080 B11R1.280 CNc1cc(ccc1Br)CO 34a_100012347568_200000210301 [0,1,0,0,0,0|3,0,0]=4 2081 B11R1.280 CNc1cc(ccc1Br)OC 34a_100000748603_200000210301 [0,1,0,0,0,0|1,0,0]=2 2082 B11R1.280 CNc1cc(ccc1C)C#N 34a_100000748024_200000210301 [0,1,0,0,0,0|3,0,0]=4 2083 B11R1.280 CNc1cc(ccc1C)C#N 7a_100000748024_200000210301 [0,1,0,0,0,0|3,0,0]=4 2084 B11R1.280 CNc1cc(ccc1C)CO 2230a_100000758420_200000210301 [0,1,0,0,0,0|3,0,0]=4 2085 B11R1.280 CNc1cc(ccc1C)CO 34a_100000758420_200000210301 [0,1,0,0,0,0|3,0,0]=4 2086 B11R1.280 CNc1cc(ccc1C)OC 2230a_100000760359_200000210301 [0,1,0,0,0,0|1,0,0]=2 2087 B11R1.280 CNc1cc(ccc1C)OC 34a_100000760359_200000210301 [0,1,0,0,0,0|1,0,0]=2 2088 B11R1.280 CNc1cc(ccc1C)SC 62a_100020629602_200000210301 [0,1,0,0,0,0|1,1,0]=3 2089 B11R1.280 CNc1cc(ccc1C)SC 62a_200000210301_100020629602 [0,1,0,0,0,0|1,1,0]=3 2090 B11R1.280 CNc1cc(ccc1C)S[13CH3] 62a_100020629602_200025704644 [0,1,0,0,0,0|1,1,0]=3 2091 B11R1.280 CNc1cc(ccc1C)S[13CH3] 62a_200025704644_100020629602 [0,1,0,0,0,0|1,1,0]=3 2092 B11R1.280 CNc1cc(ccc1Cl)C#N 34a_100000766345_200000210301 [0,1,0,0,0,0|3,0,0]=4 2093 B11R1.280 CNc1cc(ccc1Cl)C#N 7a_100000766345_200000210301 [0,1,0,0,0,0|3,0,0]=4 2094 B11R1.280 CNc1cc(ccc1Cl)CO 34a_106256033963_200000210301 [0,1,0,0,0,0|3,0,0]=4 2095 B11R1.280 CNc1cc(ccc1Cl)OC 34a_100000745576_200000210301 [0,1,0,0,0,0|1,0,0]=2 2096 B11R1.280 CNc1cc(ccc1F)C#N 34a_100011934650_200000210301 [0,1,0,0,0,0|3,0,0]=4 2097 B11R1.280 CNc1cc(ccc1F)C#N 7a_100011934650_200000210301 [0,1,0,0,0,0|3,0,0]=4 2098 B11R1.280 CNc1cc(ccc1F)CO 2230a_102125399562_200000210301 [0,1,0,0,0,0|3,0,0]=4 2099 B11R1.280 CNc1cc(ccc1F)CO 34a_102125399562_200000210301 [0,1,0,0,0,0|3,0,0]=4 2100 B11R1.280 CNc1cc(ccc1F)OC 34a_100000764331_200000210301 [0,1,0,0,0,0|1,0,0]=2 2101 B11R1.280 CNc1cc(ccc1F)SC 62a_100011314990_200000210301 [0,1,0,0,0,0|1,1,0]=3 2102 B11R1.280 CNc1cc(ccc1F)SC 62a_200000210301_100011314990 [0,1,0,0,0,0|1,1,0]=3 2103 B11R1.280 CNc1cc(ccc1F)S[13CH3] 62a_100011314990_200025704644 [0,1,0,0,0,0|1,1,0]=3 2104 B11R1.280 CNc1cc(ccc1F)S[13CH3] 62a_200025704644_100011314990 [0,1,0,0,0,0|1,1,0]=3 2105 B11R1.280 CNc1cc(ccc1I)C#N 34a_200012349464_200000210301 [0,1,0,0,0,0|3,0,0]=4 2106 B11R1.280 CNc1cc(ccc1I)C#N 7a_200012349464_200000210301 [0,1,0,0,0,0|3,0,0]=4 2107 B11R1.280 CNc1cc(ccc1I)OC 34a_100000748021_200000210301 [0,1,0,0,0,0|1,0,0]=2 2108 B11R1.280 CNc1cc(ccc1N)SC 62a_100000694363_200000210301 [0,1,0,0,0,0|1,1,0]=3 2109 B11R1.280 CNc1cc(ccc1N)S[13CH3] 62a_100000694363_200025704644 [0,1,0,0,0,0|1,1,0]=3 2110 B11R1.280 CNc1cc(ccc1O)C#N 34a_100000766272_200000210301 [0,1,0,0,0,0|3,0,0]=4 2111 B11R1.280 CNc1cc(ccc1O)C#N 7a_100000766272_200000210301 [0,1,0,0,0,0|3,0,0]=4 2112 B11R1.280 CNc1cc(ccc1O)CO 34a_100000123545_200000210301 [0,1,0,0,0,0|3,0,0]=4 2113 B11R1.280 CNc1cc(ccc1O)OC 34a_100000188146_200000210301 [0,1,0,0,0,0|1,0,0]=2 2114 B11R1.280 CNc1cc(cnc1N)SC 62a_100010506235_200000210301 [0,1,0,0,0,0|2,1,0]=4 2115 B11R1.280 CNc1cc(cnc1N)SC 62a_200000210301_100010506235 [0,1,0,0,0,0|2,1,0]=4 2116 B11R1.280 CNc1cc(cnc1N)S[13CH3] 62a_100010506235_200025704644 [0,1,0,0,0,0|2,1,0]=4 2117 B11R1.280 CNc1cc(cnc1N)S[13CH3] 62a_200025704644_100010506235 [0,1,0,0,0,0|2,1,0]=4 2118 B11R1.280 CNc1ccc(c(c1)C#N)Br 34a_100011934039_200000210301 [0,1,0,0,0,0|3,0,0]=4 2119 B11R1.280 CNc1ccc(c(c1)C#N)Br 7a_100011934039_200000210301 [0,1,0,0,0,0|3,0,0]=4 2120 B11R1.280 CNc1ccc(c(c1)C#N)C 34a_100011216687_200000210301 [0,1,0,0,0,0|3,0,0]=4 2121 B11R1.280 CNc1ccc(c(c1)C#N)C 7a_100011216687_200000210301 [0,1,0,0,0,0|3,0,0]=4 2122 B11R1.280 CNc1ccc(c(c1)C#N)Cl 34a_100000239497_200000210301 [0,1,0,0,0,0|3,0,0]=4 2123 B11R1.280 CNc1ccc(c(c1)C#N)Cl 7a_100000239497_200000210301 [0,1,0,0,0,0|3,0,0]=4 2124 B11R1.280 CNc1ccc(c(c1)C#N)F 34a_100000748589_200000210301 [0,1,0,0,0,0|3,0,0]=4 2125 B11R1.280 CNc1ccc(c(c1)C#N)F 7a_100000748589_200000210301 [0,1,0,0,0,0|3,0,0]=4 2126 B11R1.280 CNc1ccc(c(c1)C#N)O 34a_100011249283_200000210301 [0,1,0,0,0,0|3,0,0]=4 2127 B11R1.280 CNc1ccc(c(c1)CO)Br 2230a_100012347228_200000210301 [0,1,0,0,0,0|3,0,0]=4 2128 B11R1.280 CNc1ccc(c(c1)CO)Br 34a_100012347228_200000210301 [0,1,0,0,0,0|3,0,0]=4 2129 B11R1.280 CNc1ccc(c(c1)CO)Cl 2230a_100011273577_200000210301 [0,1,0,0,0,0|3,0,0]=4 2130 B11R1.280 CNc1ccc(c(c1)CO)Cl 34a_100011273577_200000210301 [0,1,0,0,0,0|3,0,0]=4 2131 B11R1.280 CNc1ccc(c(c1)CO)F 34a_100011218011_200000210301 [0,1,0,0,0,0|3,0,0]=4 2132 B11R1.280 CNc1ccc(c(c1)OC)Br 2230a_100000765947_200000210301 [0,1,0,0,0,0|1,0,0]=2 2133 B11R1.280 CNc1ccc(c(c1)OC)Br 34a_100000765947_200000210301 [0,1,0,0,0,0|1,0,0]=2 2134 B11R1.280 CNc1ccc(c(c1)OC)C 2230a_100011279678_200000210301 [0,1,0,0,0,0|1,0,0]=2 2135 B11R1.280 CNc1ccc(c(c1)OC)C 34a_100011279678_200000210301 [0,1,0,0,0,0|1,0,0]=2 2136 B11R1.280 CNc1ccc(c(c1)OC)Cl 2230a_100000742311_200000210301 [0,1,0,0,0,0|1,0,0]=2 2137 B11R1.280 CNc1ccc(c(c1)OC)Cl 34a_100000742311_200000210301 [0,1,0,0,0,0|1,0,0]=2 2138 B11R1.280 CNc1ccc(c(c1)OC)F 2230a_100000701188_200000210301 [0,1,0,0,0,0|1,0,0]=2 2139 B11R1.280 CNc1ccc(c(c1)OC)F 34a_100000701188_200000210301 [0,1,0,0,0,0|1,0,0]=2 2140 B11R1.280 CNc1ccc(c(c1)OC)I 34a_100000746945_200000210301 [0,1,0,0,0,0|1,0,0]=2 2141 B11R1.280 CNc1ccc(c(c1)OC)O 34a_100000726020_200000210301 [0,1,0,0,0,0|1,0,0]=2 2142 B11R1.280 CNc1ccc(c(c1)SC)C 62a_100000707694_200000210301 [0,1,0,0,0,0|1,1,0]=3 2143 B11R1.280 CNc1ccc(c(c1)SC)C 62a_200000210301_100000707694 [0,1,0,0,0,0|1,1,0]=3 2144 B11R1.280 CNc1ccc(c(c1)S[13CH3])C 62a_100000707694_200025704644 [0,1,0,0,0,0|1,1,0]=3 2145 B11R1.280 CNc1ccc(c(c1)S[13CH3])C 62a_200025704644_100000707694 [0,1,0,0,0,0|1,1,0]=3 2146 B11R1.280 CNc1nc(ncc1F)OC 27a_100102657272_100000094299 [0,1,0,0,0,0|3,0,0]=4 2147 B11R1.280 CNc1ncc(c(n1)OC)C 27a_100102657272_100012500371 [0,1,0,0,0,0|3,0,0]=4 2148 B11R1.280 CNc1ncc(c(n1)OC)N 27a_100102657272_100012122185 [0,1,0,0,0,0|3,0,0]=4 2149 B11R1.280 COc1cc(c(cn1)Br)OC 34a_100010738159_200000210301 [0,1,0,0,0,0|1,0,0]=2 2150 B11R1.280 COc1cc(c(cn1)Br)O[13CH3] 34a_100010738159_200025704644 [0,1,0,0,0,0|1,0,0]=2 2151 B11R1.280 COc1cc(c(cn1)C)SC 62a_100010068546_200000210301 [0,1,0,0,0,0|1,1,0]=3 2152 B11R1.280 COc1cc(c(cn1)C)SC 62a_200000210301_100010068546 [0,1,0,0,0,0|1,1,0]=3 2153 B11R1.280 COc1cc(c(cn1)C)S[13CH3] 62a_100010068546_200025704644 [0,1,0,0,0,0|1,1,0]=3 2154 B11R1.280 COc1cc(c(cn1)C)S[13CH3] 62a_200025704644_100010068546 [0,1,0,0,0,0|1,1,0]=3 2155 B11R1.280 COc1cc(c(cn1)Cl)SC 62a_100010068019_200000210301 [0,1,0,0,0,0|1,1,0]=3 2156 B11R1.280 COc1cc(c(cn1)Cl)SC 62a_200000210301_100010068019 [0,1,0,0,0,0|1,1,0]=3 2157 B11R1.280 COc1cc(c(cn1)Cl)S[13CH3] 62a_100010068019_200025704644 [0,1,0,0,0,0|1,1,0]=3 2158 B11R1.280 COc1cc(c(cn1)Cl)S[13CH3] 62a_200025704644_100010068019 [0,1,0,0,0,0|1,1,0]=3 2159 B11R1.280 COc1cc(c(cn1)F)SC 62a_100010160775_200000210301 [0,1,0,0,0,0|1,1,0]=3 2160 B11R1.280 COc1cc(c(cn1)F)SC 62a_200000210301_100010160775 [0,1,0,0,0,0|1,1,0]=3 2161 B11R1.280 COc1cc(c(cn1)F)S[13CH3] 62a_100010160775_200025704644 [0,1,0,0,0,0|1,1,0]=3 2162 B11R1.280 COc1cc(c(cn1)F)S[13CH3] 62a_200025704644_100010160775 [0,1,0,0,0,0|1,1,0]=3 2163 B11R1.280 COc1cc(c(cn1)O)C=O 271570a_203496583355_100010171658 [0,1,0,0,0,0|3,0,0]=4 2164 B11R1.280 COc1cc(c(cn1)O)CO 271570a_203496583355_100012343675 [0,1,0,0,0,0|3,0,0]=4 2165 B11R1.280 COc1cc(c(cn1)O)OC 271570a_203496583355_100010191559 [0,1,0,0,0,0|1,0,0]=2 2166 B11R1.280 COc1cc(c[nH]c1=O)SC 62a_200000210301_100010125397 [0,1,0,0,0,0|1,1,0]=3 2167 B11R1.280 COc1cc(c[nH]c1=O)S[13CH3] 62a_200025704644_100010125397 [0,1,0,0,0,0|1,1,0]=3 2168 B11R1.280 COc1cc(ccc1Br)C#N 34a_100009877741_200000210301 [0,1,0,0,0,0|2,0,0]=3 2169 B11R1.280 COc1cc(ccc1Br)C#N 7a_100009877741_200000210301 [0,1,0,0,0,0|2,0,0]=3 2170 B11R1.280 COc1cc(ccc1Br)CO 34a_100010191536_200000210301 [0,1,0,0,0,0|2,0,0]=3 2171 B11R1.280 COc1cc(ccc1Br)CO 7a_100010191536_200000210301 [0,1,0,0,0,0|2,0,0]=3 2172 B11R1.280 COc1cc(ccc1Br)N[13CH3] 2230a_100000765947_200025704644 [0,1,0,0,0,0|1,0,0]=2 2173 B11R1.280 COc1cc(ccc1Br)N[13CH3] 34a_100000765947_200025704644 [0,1,0,0,0,0|1,0,0]=2 2174 B11R1.280 COc1cc(ccc1Br)O[13CH3] 34a_100011827694_200025704644 [0,1,0,0,0,0|0,0,0]=1 2175 B11R1.280 COc1cc(ccc1Br)O[13CH3] 7a_100011827694_200025704644 [0,1,0,0,0,0|0,0,0]=1 2176 B11R1.280 COc1cc(ccc1Br)SC 62a_100012353699_200000210301 [0,1,0,0,0,0|0,1,0]=2 2177 B11R1.280 COc1cc(ccc1Br)SC 62a_200000210301_100012353699 [0,1,0,0,0,0|0,1,0]=2 2178 B11R1.280 COc1cc(ccc1Br)S[13CH3] 62a_100012353699_200025704644 [0,1,0,0,0,0|0,1,0]=2 2179 B11R1.280 COc1cc(ccc1Br)S[13CH3] 62a_200025704644_100012353699 [0,1,0,0,0,0|0,1,0]=2 2180 B11R1.280 COc1cc(ccc1C)C#N 34a_100000765541_200000210301 [0,1,0,0,0,0|2,0,0]=3 2181 B11R1.280 COc1cc(ccc1C)C#N 7a_100000765541_200000210301 [0,1,0,0,0,0|2,0,0]=3 2182 B11R1.280 COc1cc(ccc1C)N[13CH3] 2230a_100011279678_200025704644 [0,1,0,0,0,0|1,0,0]=2 2183 B11R1.280 COc1cc(ccc1C)N[13CH3] 34a_100011279678_200025704644 [0,1,0,0,0,0|1,0,0]=2 2184 B11R1.280 COc1cc(ccc1C)O[13CH3] 34a_100009865632_200025704644 [0,1,0,0,0,0|0,0,0]=1 2185 B11R1.280 COc1cc(ccc1C)O[13CH3] 7a_100009865632_200025704644 [0,1,0,0,0,0|0,0,0]=1 2186 B11R1.280 COc1cc(ccc1C)SC 62a_100011830276_200000210301 [0,1,0,0,0,0|0,1,0]=2 2187 B11R1.280 COc1cc(ccc1C)SC 62a_200000210301_100011830276 [0,1,0,0,0,0|0,1,0]=2 2188 B11R1.280 COc1cc(ccc1C)S[13CH3] 62a_100011830276_200025704644 [0,1,0,0,0,0|0,1,0]=2 2189 B11R1.280 COc1cc(ccc1C)S[13CH3] 62a_200025704644_100011830276 [0,1,0,0,0,0|0,1,0]=2 2190 B11R1.280 COc1cc(ccc1Cl)C#N 34a_100012186312_200000210301 [0,1,0,0,0,0|2,0,0]=3 2191 B11R1.280 COc1cc(ccc1Cl)C#N 7a_100012186312_200000210301 [0,1,0,0,0,0|2,0,0]=3 2192 B11R1.280 COc1cc(ccc1Cl)CN 34a_100020636435_200000210301 [0,1,0,0,0,0|2,0,0]=3 2193 B11R1.280 COc1cc(ccc1Cl)CO 34a_100009876509_200000210301 [0,1,0,0,0,0|2,0,0]=3 2194 B11R1.280 COc1cc(ccc1Cl)CO 7a_100009876509_200000210301 [0,1,0,0,0,0|2,0,0]=3 2195 B11R1.280 COc1cc(ccc1Cl)N[13CH3] 2230a_100000742311_200025704644 [0,1,0,0,0,0|1,0,0]=2 2196 B11R1.280 COc1cc(ccc1Cl)N[13CH3] 34a_100000742311_200025704644 [0,1,0,0,0,0|1,0,0]=2 2197 B11R1.280 COc1cc(ccc1Cl)O[13CH3] 34a_100012186310_200025704644 [0,1,0,0,0,0|0,0,0]=1 2198 B11R1.280 COc1cc(ccc1Cl)O[13CH3] 7a_100012186310_200025704644 [0,1,0,0,0,0|0,0,0]=1 2199 B11R1.280 COc1cc(ccc1Cl)SC 62a_100011356853_200000210301 [0,1,0,0,0,0|0,1,0]=2 2200 B11R1.280 COc1cc(ccc1Cl)SC 62a_200000210301_100011356853 [0,1,0,0,0,0|0,1,0]=2 2201 B11R1.280 COc1cc(ccc1Cl)S[13CH3] 62a_100011356853_200025704644 [0,1,0,0,0,0|0,1,0]=2 2202 B11R1.280 COc1cc(ccc1Cl)S[13CH3] 62a_200025704644_100011356853 [0,1,0,0,0,0|0,1,0]=2 2203 B11R1.280 COc1cc(ccc1F)C#N 34a_100000069402_200000210301 [0,1,0,0,0,0|2,0,0]=3 2204 B11R1.280 COc1cc(ccc1F)C#N 7a_100000069402_200000210301 [0,1,0,0,0,0|2,0,0]=3 2205 B11R1.280 COc1cc(ccc1F)CN 34a_100160469508_200000210301 [0,1,0,0,0,0|2,0,0]=3 2206 B11R1.280 COc1cc(ccc1F)CO 34a_100009842347_200000210301 [0,1,0,0,0,0|2,0,0]=3 2207 B11R1.280 COc1cc(ccc1F)CO 7a_100009842347_200000210301 [0,1,0,0,0,0|2,0,0]=3 2208 B11R1.280 COc1cc(ccc1F)N[13CH3] 2230a_100000701188_200025704644 [0,1,0,0,0,0|1,0,0]=2 2209 B11R1.280 COc1cc(ccc1F)N[13CH3] 34a_100000701188_200025704644 [0,1,0,0,0,0|1,0,0]=2 2210 B11R1.280 COc1cc(ccc1F)O[13CH3] 34a_100012001760_200025704644 [0,1,0,0,0,0|0,0,0]=1 2211 B11R1.280 COc1cc(ccc1F)O[13CH3] 7a_100012001760_200025704644 [0,1,0,0,0,0|0,0,0]=1 2212 B11R1.280 COc1cc(ccc1F)SC 62a_100011934186_200000210301 [0,1,0,0,0,0|0,1,0]=2 2213 B11R1.280 COc1cc(ccc1F)SC 62a_200000210301_100011934186 [0,1,0,0,0,0|0,1,0]=2 2214 B11R1.280 COc1cc(ccc1F)S[13CH3] 62a_100011934186_200025704644 [0,1,0,0,0,0|0,1,0]=2 2215 B11R1.280 COc1cc(ccc1F)S[13CH3] 62a_200025704644_100011934186 [0,1,0,0,0,0|0,1,0]=2 2216 B11R1.280 COc1cc(ccc1I)C#N 34a_100000724445_200000210301 [0,1,0,0,0,0|2,0,0]=3 2217 B11R1.280 COc1cc(ccc1I)C#N 7a_100000724445_200000210301 [0,1,0,0,0,0|2,0,0]=3 2218 B11R1.280 COc1cc(ccc1I)CO 34a_100000049605_200000210301 [0,1,0,0,0,0|2,0,0]=3 2219 B11R1.280 COc1cc(ccc1I)CO 7a_100000049605_200000210301 [0,1,0,0,0,0|2,0,0]=3 2220 B11R1.280 COc1cc(ccc1I)N[13CH3] 34a_100000746945_200025704644 [0,1,0,0,0,0|1,0,0]=2 2221 B11R1.280 COc1cc(ccc1N)C#N 34a_100011997735_200000210301 [0,1,0,0,0,0|2,0,0]=3 2222 B11R1.280 COc1cc(ccc1N)C#N 7a_100011997735_200000210301 [0,1,0,0,0,0|2,0,0]=3 2223 B11R1.280 COc1cc(ccc1N)O[13CH3] 34a_100015326901_200025704644 [0,1,0,0,0,0|0,0,0]=1 2224 B11R1.280 COc1cc(ccc1N)O[13CH3] 7a_100015326901_200025704644 [0,1,0,0,0,0|0,0,0]=1 2225 B11R1.280 COc1cc(ccc1N)SC 62a_100011279103_200000210301 [0,1,0,0,0,0|0,1,0]=2 2226 B11R1.280 COc1cc(ccc1N)SC 62a_200000210301_100015196925 [0,1,0,0,0,0|0,1,0]=2 2227 B11R1.280 COc1cc(ccc1N)S[13CH3] 62a_100011279103_200025704644 [0,1,0,0,0,0|0,1,0]=2 2228 B11R1.280 COc1cc(ccc1N)S[13CH3] 62a_200025704644_100015196925 [0,1,0,0,0,0|0,1,0]=2 2229 B11R1.280 COc1cc(ccc1O)C#N 271570a_203496583355_100012356288 [0,1,0,0,0,0|2,0,0]=3 2230 B11R1.280 COc1cc(ccc1O)C=O 271570a_203496583355_100010244714 [0,1,0,0,0,0|2,0,0]=3 2231 B11R1.280 COc1cc(ccc1O)CO 271570a_203496583355_100010234685 [0,1,0,0,0,0|2,0,0]=3 2232 B11R1.280 COc1cc(ccc1O)N[13CH3] 34a_100000726020_200025704644 [0,1,0,0,0,0|1,0,0]=2 2233 B11R1.280 COc1cc(ccc1O)SC 62a_200000210301_100000694246 [0,1,0,0,0,0|0,1,0]=2 2234 B11R1.280 COc1cc(ccc1O)S[13CH3] 62a_200025704644_100000694246 [0,1,0,0,0,0|0,1,0]=2 2235 B11R1.280 COc1cc(cnc1C)SC 62a_100010254219_200000210301 [0,1,0,0,0,0|1,1,0]=3 2236 B11R1.280 COc1cc(cnc1C)SC 62a_200000210301_100010254219 [0,1,0,0,0,0|1,1,0]=3 2237 B11R1.280 COc1cc(cnc1C)S[13CH3] 62a_100010254219_200025704644 [0,1,0,0,0,0|1,1,0]=3 2238 B11R1.280 COc1cc(cnc1C)S[13CH3] 62a_200025704644_100010254219 [0,1,0,0,0,0|1,1,0]=3 2239 B11R1.280 COc1cc(cnc1F)SC 62a_100010214931_200000210301 [0,1,0,0,0,0|1,1,0]=3 2240 B11R1.280 COc1cc(cnc1F)SC 62a_200000210301_100010214931 [0,1,0,0,0,0|1,1,0]=3 2241 B11R1.280 COc1cc(cnc1F)S[13CH3] 62a_100010214931_200025704644 [0,1,0,0,0,0|1,1,0]=3 2242 B11R1.280 COc1cc(cnc1F)S[13CH3] 62a_200025704644_100010214931 [0,1,0,0,0,0|1,1,0]=3 2243 B11R1.280 COc1cc(cnc1N)SC 62a_106354213024_200000210301 [0,1,0,0,0,0|1,1,0]=3 2244 B11R1.280 COc1cc(cnc1N)SC 62a_200000210301_106354213024 [0,1,0,0,0,0|1,1,0]=3 2245 B11R1.280 COc1cc(cnc1N)S[13CH3] 62a_106354213024_200025704644 [0,1,0,0,0,0|1,1,0]=3 2246 B11R1.280 COc1cc(cnc1N)S[13CH3] 62a_200025704644_106354213024 [0,1,0,0,0,0|1,1,0]=3 2247 B11R1.280 COc1cc(cnc1O)C#N 271570a_203496583355_200009864118 [0,1,0,0,0,0|3,0,0]=4 2248 B11R1.280 COc1cc(ncc1C)SC 62a_100010067687_200000210301 [0,1,0,0,0,0|1,1,0]=3 2249 B11R1.280 COc1cc(ncc1C)SC 62a_200000210301_100010067687 [0,1,0,0,0,0|1,1,0]=3 2250 B11R1.280 COc1cc(ncc1C)S[13CH3] 62a_100010067687_200025704644 [0,1,0,0,0,0|1,1,0]=3 2251 B11R1.280 COc1cc(ncc1C)S[13CH3] 62a_200025704644_100010067687 [0,1,0,0,0,0|1,1,0]=3 2252 B11R1.280 COc1cc(ncc1F)SC 62a_200000210301_200010136270 [0,1,0,0,0,0|1,1,0]=3 2253 B11R1.280 COc1cc(ncc1F)SC 62a_200010136270_200000210301 [0,1,0,0,0,0|1,1,0]=3 2254 B11R1.280 COc1cc(ncc1F)S[13CH3] 62a_200010136270_200025704644 [0,1,0,0,0,0|1,1,0]=3 2255 B11R1.280 COc1cc(ncc1F)S[13CH3] 62a_200025704644_200010136270 [0,1,0,0,0,0|1,1,0]=3 2256 B11R1.280 COc1cc(ncc1N)SC 62a_100009887741_200000210301 [0,1,0,0,0,0|1,1,0]=3 2257 B11R1.280 COc1cc(ncc1N)SC 62a_200000210301_100009887741 [0,1,0,0,0,0|1,1,0]=3 2258 B11R1.280 COc1cc(ncc1N)S[13CH3] 62a_100009887741_200025704644 [0,1,0,0,0,0|1,1,0]=3 2259 B11R1.280 COc1cc(ncc1N)S[13CH3] 62a_200025704644_100009887741 [0,1,0,0,0,0|1,1,0]=3 2260 B11R1.280 COc1cc(ncc1O)C#N 271570a_203496583355_100010136804 [0,1,0,0,0,0|3,0,0]=4 2261 B11R1.280 COc1cc(ncc1O)CO 271570a_203496583355_100010999569 [0,1,0,0,0,0|3,0,0]=4 2262 B11R1.280 COc1cc(nnc1N)SC 62a_100000688033_200000210301 [0,1,0,0,0,0|2,1,0]=4 2263 B11R1.280 COc1cc(nnc1N)SC 62a_200000210301_100000688033 [0,1,0,0,0,0|2,1,0]=4 2264 B11R1.280 COc1cc(nnc1N)S[13CH3] 62a_100000688033_200025704644 [0,1,0,0,0,0|2,1,0]=4 2265 B11R1.280 COc1cc(nnc1N)S[13CH3] 62a_200025704644_100000688033 [0,1,0,0,0,0|2,1,0]=4 2266 B11R1.280 COc1ccc(c(c1)C#N)Br 34a_100009818209_200000210301 [0,1,0,0,0,0|2,0,0]=3 2267 B11R1.280 COc1ccc(c(c1)C#N)Br 7a_100009818209_200000210301 [0,1,0,0,0,0|2,0,0]=3 2268 B11R1.280 COc1ccc(c(c1)C#N)Cl 34a_100000092820_200000210301 [0,1,0,0,0,0|2,0,0]=3 2269 B11R1.280 COc1ccc(c(c1)C#N)Cl 7a_100000092820_200000210301 [0,1,0,0,0,0|2,0,0]=3 2270 B11R1.280 COc1ccc(c(c1)C#N)F 34a_100000070142_200000210301 [0,1,0,0,0,0|2,0,0]=3 2271 B11R1.280 COc1ccc(c(c1)C#N)F 7a_100000070142_200000210301 [0,1,0,0,0,0|2,0,0]=3 2272 B11R1.280 COc1ccc(c(c1)C#N)N 34a_200011997737_200000210301 [0,1,0,0,0,0|2,0,0]=3 2273 B11R1.280 COc1ccc(c(c1)C#N)N 7a_200011997737_200000210301 [0,1,0,0,0,0|2,0,0]=3 2274 B11R1.280 COc1ccc(c(c1)C#N)O 271570a_203496583355_100000748272 [0,1,0,0,0,0|2,0,0]=3 2275 B11R1.280 COc1ccc(c(c1)C=O)O 271570a_203496583355_100000691568 [0,1,0,0,0,0|2,0,0]=3 2276 B11R1.280 COc1ccc(c(c1)CN)C 34a_200009844824_200000210301 [0,1,0,0,0,0|2,0,0]=3 2277 B11R1.280 COc1ccc(c(c1)CN)O 271570a_203496583355_100000741592 [0,1,0,0,0,0|2,0,0]=3 2278 B11R1.280 COc1ccc(c(c1)CO)Br 34a_100012351483_200000210301 [0,1,0,0,0,0|2,0,0]=3 2279 B11R1.280 COc1ccc(c(c1)CO)Br 7a_100012351483_200000210301 [0,1,0,0,0,0|2,0,0]=3 2280 B11R1.280 COc1ccc(c(c1)CO)C 34a_100009878257_200000210301 [0,1,0,0,0,0|2,0,0]=3 2281 B11R1.280 COc1ccc(c(c1)CO)C 7a_100009878257_200000210301 [0,1,0,0,0,0|2,0,0]=3 2282 B11R1.280 COc1ccc(c(c1)CO)Cl 34a_100000091669_200000210301 [0,1,0,0,0,0|2,0,0]=3 2283 B11R1.280 COc1ccc(c(c1)CO)Cl 7a_100000091669_200000210301 [0,1,0,0,0,0|2,0,0]=3 2284 B11R1.280 COc1ccc(c(c1)CO)O 271570a_203496583355_200011273942 [0,1,0,0,0,0|2,0,0]=3 2285 B11R1.280 COc1ccc(c(c1)N[13CH3])Br 34a_100000748603_200025704644 [0,1,0,0,0,0|1,0,0]=2 2286 B11R1.280 COc1ccc(c(c1)N[13CH3])C 2230a_100000760359_200025704644 [0,1,0,0,0,0|1,0,0]=2 2287 B11R1.280 COc1ccc(c(c1)N[13CH3])C 34a_100000760359_200025704644 [0,1,0,0,0,0|1,0,0]=2 2288 B11R1.280 COc1ccc(c(c1)N[13CH3])Cl 34a_100000745576_200025704644 [0,1,0,0,0,0|1,0,0]=2 2289 B11R1.280 COc1ccc(c(c1)N[13CH3])F 34a_100000764331_200025704644 [0,1,0,0,0,0|1,0,0]=2 2290 B11R1.280 COc1ccc(c(c1)N[13CH3])I 34a_100000748021_200025704644 [0,1,0,0,0,0|1,0,0]=2 2291 B11R1.280 COc1ccc(c(c1)N[13CH3])O 34a_100000188146_200025704644 [0,1,0,0,0,0|1,0,0]=2 2292 B11R1.280 COc1ccc(c(c1)OC)Br 34a_100000719091_200000210301 [0,1,0,0,0,0|0,0,0]=1 2293 B11R1.280 COc1ccc(c(c1)OC)Br 34a_100011827694_200000210301 [0,1,0,0,0,0|0,0,0]=1 2294 B11R1.280 COc1ccc(c(c1)OC)Br 7a_100000719091_200000210301 [0,1,0,0,0,0|0,0,0]=1 2295 B11R1.280 COc1ccc(c(c1)OC)Br 7a_100011827694_200000210301 [0,1,0,0,0,0|0,0,0]=1 2296 B11R1.280 COc1ccc(c(c1)OC)C 34a_100009865632_200000210301 [0,1,0,0,0,0|0,0,0]=1 2297 B11R1.280 COc1ccc(c(c1)OC)C 34a_100012179981_200000210301 [0,1,0,0,0,0|0,0,0]=1 2298 B11R1.280 COc1ccc(c(c1)OC)C 7a_100009865632_200000210301 [0,1,0,0,0,0|0,0,0]=1 2299 B11R1.280 COc1ccc(c(c1)OC)C 7a_100012179981_200000210301 [0,1,0,0,0,0|0,0,0]=1 2300 B11R1.280 COc1ccc(c(c1)OC)Cl 34a_100011516019_200000210301 [0,1,0,0,0,0|0,0,0]=1 2301 B11R1.280 COc1ccc(c(c1)OC)Cl 34a_100012186310_200000210301 [0,1,0,0,0,0|0,0,0]=1 2302 B11R1.280 COc1ccc(c(c1)OC)Cl 7a_100011516019_200000210301 [0,1,0,0,0,0|0,0,0]=1 2303 B11R1.280 COc1ccc(c(c1)OC)Cl 7a_100012186310_200000210301 [0,1,0,0,0,0|0,0,0]=1 2304 B11R1.280 COc1ccc(c(c1)OC)F 34a_100012001760_200000210301 [0,1,0,0,0,0|0,0,0]=1 2305 B11R1.280 COc1ccc(c(c1)OC)F 34a_100012178750_200000210301 [0,1,0,0,0,0|0,0,0]=1 2306 B11R1.280 COc1ccc(c(c1)OC)F 7a_100012001760_200000210301 [0,1,0,0,0,0|0,0,0]=1 2307 B11R1.280 COc1ccc(c(c1)OC)F 7a_100012178750_200000210301 [0,1,0,0,0,0|0,0,0]=1 2308 B11R1.280 COc1ccc(c(c1)OC)I 34a_100010168831_200000210301 [0,1,0,0,0,0|0,0,0]=1 2309 B11R1.280 COc1ccc(c(c1)OC)I 7a_100010168831_200000210301 [0,1,0,0,0,0|0,0,0]=1 2310 B11R1.280 COc1ccc(c(c1)OC)N 34a_100015326901_200000210301 [0,1,0,0,0,0|0,0,0]=1 2311 B11R1.280 COc1ccc(c(c1)OC)N 34a_100016989039_200000210301 [0,1,0,0,0,0|0,0,0]=1 2312 B11R1.280 COc1ccc(c(c1)OC)N 7a_100015326901_200000210301 [0,1,0,0,0,0|0,0,0]=1 2313 B11R1.280 COc1ccc(c(c1)OC)N 7a_100016989039_200000210301 [0,1,0,0,0,0|0,0,0]=1 2314 B11R1.280 COc1ccc(c(c1)OC)O 271570a_203496583355_100000750026 [0,1,0,0,0,0|0,0,0]=1 2315 B11R1.280 COc1ccc(c(c1)O[13CH3])Br 34a_100000719091_200025704644 [0,1,0,0,0,0|0,0,0]=1 2316 B11R1.280 COc1ccc(c(c1)O[13CH3])Br 7a_100000719091_200025704644 [0,1,0,0,0,0|0,0,0]=1 2317 B11R1.280 COc1ccc(c(c1)O[13CH3])C 34a_100012179981_200025704644 [0,1,0,0,0,0|0,0,0]=1 2318 B11R1.280 COc1ccc(c(c1)O[13CH3])C 7a_100012179981_200025704644 [0,1,0,0,0,0|0,0,0]=1 2319 B11R1.280 COc1ccc(c(c1)O[13CH3])Cl 34a_100011516019_200025704644 [0,1,0,0,0,0|0,0,0]=1 2320 B11R1.280 COc1ccc(c(c1)O[13CH3])Cl 7a_100011516019_200025704644 [0,1,0,0,0,0|0,0,0]=1 2321 B11R1.280 COc1ccc(c(c1)O[13CH3])F 34a_100012178750_200025704644 [0,1,0,0,0,0|0,0,0]=1 2322 B11R1.280 COc1ccc(c(c1)O[13CH3])F 7a_100012178750_200025704644 [0,1,0,0,0,0|0,0,0]=1 2323 B11R1.280 COc1ccc(c(c1)O[13CH3])I 34a_100010168831_200025704644 [0,1,0,0,0,0|0,0,0]=1 2324 B11R1.280 COc1ccc(c(c1)O[13CH3])I 7a_100010168831_200025704644 [0,1,0,0,0,0|0,0,0]=1 2325 B11R1.280 COc1ccc(c(c1)O[13CH3])N 34a_100016989039_200025704644 [0,1,0,0,0,0|0,0,0]=1 2326 B11R1.280 COc1ccc(c(c1)O[13CH3])N 7a_100016989039_200025704644 [0,1,0,0,0,0|0,0,0]=1 2327 B11R1.280 COc1ccc(c(c1)SC)Br 62a_100009992028_200000210301 [0,1,0,0,0,0|0,1,0]=2 2328 B11R1.280 COc1ccc(c(c1)SC)Br 62a_200000210301_100009992028 [0,1,0,0,0,0|0,1,0]=2 2329 B11R1.280 COc1ccc(c(c1)SC)C 62a_100012349166_200000210301 [0,1,0,0,0,0|0,1,0]=2 2330 B11R1.280 COc1ccc(c(c1)SC)C 62a_200000210301_100012349166 [0,1,0,0,0,0|0,1,0]=2 2331 B11R1.280 COc1ccc(c(c1)SC)Cl 62a_100011356938_200000210301 [0,1,0,0,0,0|0,1,0]=2 2332 B11R1.280 COc1ccc(c(c1)SC)Cl 62a_200000210301_100011356938 [0,1,0,0,0,0|0,1,0]=2 2333 B11R1.280 COc1ccc(c(c1)SC)F 62a_100000699733_200000210301 [0,1,0,0,0,0|0,1,0]=2 2334 B11R1.280 COc1ccc(c(c1)SC)F 62a_200000210301_100000699733 [0,1,0,0,0,0|0,1,0]=2 2335 B11R1.280 COc1ccc(c(c1)SC)N 62a_100015195136_200000210301 [0,1,0,0,0,0|0,1,0]=2 2336 B11R1.280 COc1ccc(c(c1)SC)N 62a_200000210301_100015195136 [0,1,0,0,0,0|0,1,0]=2 2337 B11R1.280 COc1ccc(c(c1)SC)O 62a_200000210301_100000685887 [0,1,0,0,0,0|0,1,0]=2 2338 B11R1.280 COc1ccc(c(c1)S[13CH3])Br 62a_100009992028_200025704644 [0,1,0,0,0,0|0,1,0]=2 2339 B11R1.280 COc1ccc(c(c1)S[13CH3])Br 62a_200025704644_100009992028 [0,1,0,0,0,0|0,1,0]=2 2340 B11R1.280 COc1ccc(c(c1)S[13CH3])C 62a_100012349166_200025704644 [0,1,0,0,0,0|0,1,0]=2 2341 B11R1.280 COc1ccc(c(c1)S[13CH3])C 62a_200025704644_100012349166 [0,1,0,0,0,0|0,1,0]=2 2342 B11R1.280 COc1ccc(c(c1)S[13CH3])Cl 62a_100011356938_200025704644 [0,1,0,0,0,0|0,1,0]=2 2343 B11R1.280 COc1ccc(c(c1)S[13CH3])Cl 62a_200025704644_100011356938 [0,1,0,0,0,0|0,1,0]=2 2344 B11R1.280 COc1ccc(c(c1)S[13CH3])F 62a_100000699733_200025704644 [0,1,0,0,0,0|0,1,0]=2 2345 B11R1.280 COc1ccc(c(c1)S[13CH3])F 62a_200025704644_100000699733 [0,1,0,0,0,0|0,1,0]=2 2346 B11R1.280 COc1ccc(c(c1)S[13CH3])N 62a_100015195136_200025704644 [0,1,0,0,0,0|0,1,0]=2 2347 B11R1.280 COc1ccc(c(c1)S[13CH3])N 62a_200025704644_100015195136 [0,1,0,0,0,0|0,1,0]=2 2348 B11R1.280 COc1ccc(c(c1)S[13CH3])O 62a_200025704644_100000685887 [0,1,0,0,0,0|0,1,0]=2 2349 B11R1.280 COc1ccc(c(n1)C#N)O 271570a_203496583355_200010187624 [0,1,0,0,0,0|3,0,0]=4 2350 B11R1.280 COc1ccc(c(n1)C=O)O 271570a_203496583355_200010173843 [0,1,0,0,0,0|3,0,0]=4 2351 B11R1.280 COc1ccc(c(n1)CO)O 271570a_203496583355_100010069746 [0,1,0,0,0,0|3,0,0]=4 2352 B11R1.280 COc1ccc(c(n1)OC)O 271570a_203496583355_100009816055 [0,1,0,0,0,0|1,0,0]=2 2353 B11R1.280 COc1ccc(c(n1)SC)N 62a_100000069805_200000210301 [0,1,0,0,0,0|1,1,0]=3 2354 B11R1.280 COc1ccc(c(n1)SC)N 62a_200000210301_100000069805 [0,1,0,0,0,0|1,1,0]=3 2355 B11R1.280 COc1ccc(c(n1)S[13CH3])N 62a_100000069805_200025704644 [0,1,0,0,0,0|1,1,0]=3 2356 B11R1.280 COc1ccc(c(n1)S[13CH3])N 62a_200025704644_100000069805 [0,1,0,0,0,0|1,1,0]=3 2357 B11R1.280 COc1cnc(c(c1)SC)F 62a_100010068374_200000210301 [0,1,0,0,0,0|1,1,0]=3 2358 B11R1.280 COc1cnc(c(c1)SC)F 62a_200000210301_100010068374 [0,1,0,0,0,0|1,1,0]=3 2359 B11R1.280 COc1cnc(c(c1)S[13CH3])F 62a_100010068374_200025704644 [0,1,0,0,0,0|1,1,0]=3 2360 B11R1.280 COc1cnc(c(c1)S[13CH3])F 62a_200025704644_100010068374 [0,1,0,0,0,0|1,1,0]=3 2361 B11R1.280 COc1nc(ccc1N)SC 62a_100000687816_200000210301 [0,1,0,0,0,0|1,1,0]=3 2362 B11R1.280 COc1nc(ccc1N)SC 62a_200000210301_100000687816 [0,1,0,0,0,0|1,1,0]=3 2363 B11R1.280 COc1nc(ccc1N)S[13CH3] 62a_100000687816_200025704644 [0,1,0,0,0,0|1,1,0]=3 2364 B11R1.280 COc1nc(ccc1N)S[13CH3] 62a_200025704644_100000687816 [0,1,0,0,0,0|1,1,0]=3 2365 B11R1.280 COc1nc(ccc1O)SC 62a_200000210301_100010893133 [0,1,0,0,0,0|1,1,0]=3 2366 B11R1.280 COc1nc(ccc1O)S[13CH3] 62a_200025704644_100010893133 [0,1,0,0,0,0|1,1,0]=3 2367 B11R1.280 COc1nc(cnc1N)SC 62a_100009816943_200000210301 [0,1,0,0,0,0|2,1,0]=4 2368 B11R1.280 COc1nc(cnc1N)SC 62a_200000210301_100009816943 [0,1,0,0,0,0|2,1,0]=4 2369 B11R1.280 COc1nc(cnc1N)S[13CH3] 62a_100009816943_200025704644 [0,1,0,0,0,0|2,1,0]=4 2370 B11R1.280 COc1nc(cnc1N)S[13CH3] 62a_200025704644_100009816943 [0,1,0,0,0,0|2,1,0]=4 2371 B11R1.280 COc1nc(cnc1O)SC 62a_200000210301_200010365344 [0,1,0,0,0,0|2,1,0]=4 2372 B11R1.280 COc1nc(cnc1O)SC 62a_200010365344_200000210301 [0,1,0,0,0,0|2,1,0]=4 2373 B11R1.280 COc1nc(cnc1O)S[13CH3] 62a_200010365344_200025704644 [0,1,0,0,0,0|2,1,0]=4 2374 B11R1.280 COc1nc(cnc1O)S[13CH3] 62a_200025704644_200010365344 [0,1,0,0,0,0|2,1,0]=4 2375 B11R1.280 COc1nc(ncc1C)SC 62a_100012500371_200000210301 [0,1,0,0,0,0|2,1,0]=4 2376 B11R1.280 COc1nc(ncc1C)SC 62a_200000210301_100012500371 [0,1,0,0,0,0|2,1,0]=4 2377 B11R1.280 COc1nc(ncc1C)S[13CH3] 62a_100012500371_200025704644 [0,1,0,0,0,0|2,1,0]=4 2378 B11R1.280 COc1nc(ncc1C)S[13CH3] 62a_200025704644_100012500371 [0,1,0,0,0,0|2,1,0]=4 2379 B11R1.280 COc1nc(ncc1F)SC 62a_100012183945_200000210301 [0,1,0,0,0,0|2,1,0]=4 2380 B11R1.280 COc1nc(ncc1F)SC 62a_200000210301_100012183945 [0,1,0,0,0,0|2,1,0]=4 2381 B11R1.280 COc1nc(ncc1F)S[13CH3] 62a_100012183945_200025704644 [0,1,0,0,0,0|2,1,0]=4 2382 B11R1.280 COc1nc(ncc1F)S[13CH3] 62a_200025704644_100012183945 [0,1,0,0,0,0|2,1,0]=4 2383 B11R1.280 COc1nc(ncc1N)SC 62a_100012122185_200000210301 [0,1,0,0,0,0|2,1,0]=4 2384 B11R1.280 COc1nc(ncc1N)SC 62a_200000210301_100012122185 [0,1,0,0,0,0|2,1,0]=4 2385 B11R1.280 COc1nc(ncc1N)S[13CH3] 62a_100012122185_200025704644 [0,1,0,0,0,0|2,1,0]=4 2386 B11R1.280 COc1nc(ncc1N)S[13CH3] 62a_200025704644_100012122185 [0,1,0,0,0,0|2,1,0]=4 2387 B11R1.280 COc1nc(ncc1O)SC 271570a_203496583355_200011934731 [0,1,0,0,0,0|2,1,0]=4 2388 B11R1.280 COc1ncc(c(n1)OC)O 271570a_203496583355_100011215025 [0,1,0,0,0,0|2,0,0]=3 2389 B11R1.280 COc1ncc(c(n1)SC)F 62a_100000094299_200000210301 [0,1,0,0,0,0|2,1,0]=4 2390 B11R1.280 COc1ncc(c(n1)SC)F 62a_200000210301_100000094299 [0,1,0,0,0,0|2,1,0]=4 2391 B11R1.280 COc1ncc(c(n1)SC)O 271570a_203496583355_100009816868 [0,1,0,0,0,0|2,1,0]=4 2392 B11R1.280 COc1ncc(c(n1)S[13CH3])F 62a_100000094299_200025704644 [0,1,0,0,0,0|2,1,0]=4 2393 B11R1.280 COc1ncc(c(n1)S[13CH3])F 62a_200025704644_100000094299 [0,1,0,0,0,0|2,1,0]=4 2394 B11R1.280 CSc1cc(ccc1Br)C#N 62a_200000210301_100012349583 [0,1,0,0,0,0|2,1,0]=4 2395 B11R1.280 CSc1cc(ccc1Br)C=O 62a_100010146563_200000210301 [0,1,0,0,0,0|2,1,0]=4 2396 B11R1.280 CSc1cc(ccc1Br)C=O 62a_200000210301_100010146563 [0,1,0,0,0,0|2,1,0]=4 2397 B11R1.280 CSc1cc(ccc1C)C#N 62a_200000210301_100000690169 [0,1,0,0,0,0|2,1,0]=4 2398 B11R1.280 CSc1cc(ccc1C)C=O 62a_100000695567_200000210301 [0,1,0,0,0,0|2,1,0]=4 2399 B11R1.280 CSc1cc(ccc1C)C=O 62a_200000210301_100000695567 [0,1,0,0,0,0|2,1,0]=4 2400 B11R1.280 CSc1cc(ccc1C)CO 62a_100000708995_200000210301 [0,1,0,0,0,0|2,1,0]=4 2401 B11R1.280 CSc1cc(ccc1C)CO 62a_200000210301_100000708995 [0,1,0,0,0,0|2,1,0]=4 2402 B11R1.280 CSc1cc(ccc1C)NN 62a_100016991967_200000210301 [0,1,0,0,0,0|2,1,0]=4 2403 B11R1.280 CSc1cc(ccc1C)NN 62a_200000210301_100016991967 [0,1,0,0,0,0|2,1,0]=4 2404 B11R1.280 CSc1cc(ccc1Cl)C#N 62a_200000210301_100010199462 [0,1,0,0,0,0|2,1,0]=4 2405 B11R1.280 CSc1cc(ccc1Cl)C=O 62a_100010209939_200000210301 [0,1,0,0,0,0|2,1,0]=4 2406 B11R1.280 CSc1cc(ccc1Cl)C=O 62a_200000210301_100010209939 [0,1,0,0,0,0|2,1,0]=4 2407 B11R1.280 CSc1cc(ccc1F)C#N 62a_200000210301_100000188605 [0,1,0,0,0,0|2,1,0]=4 2408 B11R1.280 CSc1cc(ccc1F)C=O 62a_100000211747_200000210301 [0,1,0,0,0,0|2,1,0]=4 2409 B11R1.280 CSc1cc(ccc1F)C=O 62a_200000210301_100000211747 [0,1,0,0,0,0|2,1,0]=4 2410 B11R1.280 CSc1cc(ccc1F)CN 62a_100015193890_200000210301 [0,1,0,0,0,0|2,1,0]=4 2411 B11R1.280 CSc1cc(ccc1F)CN 62a_200000210301_100015193890 [0,1,0,0,0,0|2,1,0]=4 2412 B11R1.280 CSc1cc(ccc1F)CO 62a_100000246287_200000210301 [0,1,0,0,0,0|2,1,0]=4 2413 B11R1.280 CSc1cc(ccc1F)CO 62a_200000210301_100000246287 [0,1,0,0,0,0|2,1,0]=4 2414 B11R1.280 CSc1cc(ccc1F)NN 62a_200000210301_200025705588 [0,1,0,0,0,0|2,1,0]=4 2415 B11R1.280 CSc1cc(ccc1F)NN 62a_200025705588_200000210301 [0,1,0,0,0,0|2,1,0]=4 2416 B11R1.280 CSc1cc(ccc1F)S[13CH3] 62a_100010341305_200025704644 [0,1,0,0,0,0|0,2,0]=3 2417 B11R1.280 CSc1cc(ccc1F)S[13CH3] 62a_200025704644_100010341305 [0,1,0,0,0,0|0,2,0]=3 2418 B11R1.280 CSc1cc(ccc1N)C#N 62a_200000210301_100000736769 [0,1,0,0,0,0|2,1,0]=4 2419 B11R1.280 CSc1cc(ccc1O)C#N 62a_200000210301_100000725478 [0,1,0,0,0,0|2,1,0]=4 2420 B11R1.280 CSc1cc(ccc1O)C=O 62a_100000184552_200000210301 [0,1,0,0,0,0|2,1,0]=4 2421 B11R1.280 CSc1cc(ccc1O)C=O 62a_200000210301_100000184552 [0,1,0,0,0,0|2,1,0]=4 2422 B11R1.280 CSc1cc(ccc1O)CO 62a_100011191544_200000210301 [0,1,0,0,0,0|2,1,0]=4 2423 B11R1.280 CSc1cc(ccc1O)CO 62a_200000210301_100011191544 [0,1,0,0,0,0|2,1,0]=4 2424 B11R1.280 CSc1ccc(c(c1)C#N)Br 62a_100012355174_200000210301 [0,1,0,0,0,0|2,1,0]=4 2425 B11R1.280 CSc1ccc(c(c1)C#N)Br 62a_200000210301_100012355174 [0,1,0,0,0,0|2,1,0]=4 2426 B11R1.280 CSc1ccc(c(c1)C#N)C 62a_200000210301_100011356939 [0,1,0,0,0,0|2,1,0]=4 2427 B11R1.280 CSc1ccc(c(c1)C#N)Cl 62a_200000210301_100011356831 [0,1,0,0,0,0|2,1,0]=4 2428 B11R1.280 CSc1ccc(c(c1)C#N)F 62a_200000210301_100000037165 [0,1,0,0,0,0|2,1,0]=4 2429 B11R1.280 CSc1ccc(c(c1)C#N)N 62a_200000210301_100000688460 [0,1,0,0,0,0|2,1,0]=4 2430 B11R1.280 CSc1ccc(c(c1)C#N)O 62a_200000210301_100000687585 [0,1,0,0,0,0|2,1,0]=4 2431 B11R1.280 CSc1ccc(c(c1)C=O)Br 62a_100010185652_200000210301 [0,1,0,0,0,0|2,1,0]=4 2432 B11R1.280 CSc1ccc(c(c1)C=O)Br 62a_200000210301_100010185652 [0,1,0,0,0,0|2,1,0]=4 2433 B11R1.280 CSc1ccc(c(c1)C=O)C 62a_100011361606_200000210301 [0,1,0,0,0,0|2,1,0]=4 2434 B11R1.280 CSc1ccc(c(c1)C=O)C 62a_200000210301_100011361606 [0,1,0,0,0,0|2,1,0]=4 2435 B11R1.280 CSc1ccc(c(c1)C=O)Cl 62a_100010254384_200000210301 [0,1,0,0,0,0|2,1,0]=4 2436 B11R1.280 CSc1ccc(c(c1)C=O)Cl 62a_200000210301_100010254384 [0,1,0,0,0,0|2,1,0]=4 2437 B11R1.280 CSc1ccc(c(c1)C=O)F 62a_100000050626_200000210301 [0,1,0,0,0,0|2,1,0]=4 2438 B11R1.280 CSc1ccc(c(c1)C=O)F 62a_200000210301_100000050626 [0,1,0,0,0,0|2,1,0]=4 2439 B11R1.280 CSc1ccc(c(c1)C=O)N 62a_100011935258_200000210301 [0,1,0,0,0,0|2,1,0]=4 2440 B11R1.280 CSc1ccc(c(c1)C=O)O 62a_200000210301_100000186750 [0,1,0,0,0,0|2,1,0]=4 2441 B11R1.280 CSc1ccc(c(c1)CN)F 62a_100009815772_200000210301 [0,1,0,0,0,0|2,1,0]=4 2442 B11R1.280 CSc1ccc(c(c1)CN)F 62a_200000210301_100009815772 [0,1,0,0,0,0|2,1,0]=4 2443 B11R1.280 CSc1ccc(c(c1)CN)N 62a_100012349119_200000210301 [0,1,0,0,0,0|2,1,0]=4 2444 B11R1.280 CSc1ccc(c(c1)CN)N 62a_200000210301_100012349119 [0,1,0,0,0,0|2,1,0]=4 2445 B11R1.280 CSc1ccc(c(c1)CN)O 62a_100000730032_200000210301 [0,1,0,0,0,0|2,1,0]=4 2446 B11R1.280 CSc1ccc(c(c1)CN)O 62a_200000210301_100000730032 [0,1,0,0,0,0|2,1,0]=4 2447 B11R1.280 CSc1ccc(c(c1)CO)Br 62a_100012359683_200000210301 [0,1,0,0,0,0|2,1,0]=4 2448 B11R1.280 CSc1ccc(c(c1)CO)Br 62a_200000210301_100012359683 [0,1,0,0,0,0|2,1,0]=4 2449 B11R1.280 CSc1ccc(c(c1)CO)C 62a_100000700630_200000210301 [0,1,0,0,0,0|2,1,0]=4 2450 B11R1.280 CSc1ccc(c(c1)CO)C 62a_200000210301_100000700630 [0,1,0,0,0,0|2,1,0]=4 2451 B11R1.280 CSc1ccc(c(c1)CO)Cl 62a_100010128486_200000210301 [0,1,0,0,0,0|2,1,0]=4 2452 B11R1.280 CSc1ccc(c(c1)CO)Cl 62a_200000210301_100010128486 [0,1,0,0,0,0|2,1,0]=4 2453 B11R1.280 CSc1ccc(c(c1)CO)F 62a_100000246282_200000210301 [0,1,0,0,0,0|2,1,0]=4 2454 B11R1.280 CSc1ccc(c(c1)CO)F 62a_200000210301_100000246282 [0,1,0,0,0,0|2,1,0]=4 2455 B11R1.280 CSc1ccc(c(c1)CO)N 62a_100012353972_200000210301 [0,1,0,0,0,0|2,1,0]=4 2456 B11R1.280 CSc1ccc(c(c1)CO)N 62a_200000210301_100012353972 [0,1,0,0,0,0|2,1,0]=4 2457 B11R1.280 CSc1ccc(c(c1)CO)O 62a_100000184703_200000210301 [0,1,0,0,0,0|2,1,0]=4 2458 B11R1.280 CSc1ccc(c(c1)CO)O 62a_200000210301_100000184703 [0,1,0,0,0,0|2,1,0]=4 2459 B11R1.280 CSc1ccc(c(c1)NN)F 62a_100020610843_200000210301 [0,1,0,0,0,0|2,1,0]=4 2460 B11R1.280 CSc1ccc(c(c1)NN)F 62a_200000210301_100020610843 [0,1,0,0,0,0|2,1,0]=4 2461 B11R1.280 CSc1ccc(c(c1)SC)F 62a_100010341305_200000210301 [0,1,0,0,0,0|0,2,0]=3 2462 B11R1.280 CSc1ccc(c(c1)SC)F 62a_200000210301_100010341305 [0,1,0,0,0,0|0,2,0]=3 2463 B11R1.280 CSc1ccc(c(c1)SC)F 62a_200000210301_200010708804 [0,1,0,0,0,0|0,2,0]=3 2464 B11R1.280 CSc1ccc(c(c1)SC)F 62a_200010708804_200000210301 [0,1,0,0,0,0|0,2,0]=3 2465 B11R1.280 CSc1ccc(c(c1)S[13CH3])F 62a_200010708804_200025704644 [0,1,0,0,0,0|0,2,0]=3 2466 B11R1.280 CSc1ccc(c(c1)S[13CH3])F 62a_200025704644_200010708804 [0,1,0,0,0,0|0,2,0]=3 2467 B11R1.280 Cc1ccc(cc1C#N)N[13CH3] 34a_100011216687_200025704644 [0,1,0,0,0,0|3,0,0]=4 2468 B11R1.280 Cc1ccc(cc1C#N)N[13CH3] 7a_100011216687_200025704644 [0,1,0,0,0,0|3,0,0]=4 2469 B11R1.280 Cc1ccc(cc1C#N)S[13CH3] 62a_200025704644_100011356939 [0,1,0,0,0,0|2,1,0]=4 2470 B11R1.280 Cc1ccc(cc1C=O)S[13CH3] 62a_100011361606_200025704644 [0,1,0,0,0,0|2,1,0]=4 2471 B11R1.280 Cc1ccc(cc1C=O)S[13CH3] 62a_200025704644_100011361606 [0,1,0,0,0,0|2,1,0]=4 2472 B11R1.280 Cc1ccc(cc1CN)O[13CH3] 34a_200009844824_200025704644 [0,1,0,0,0,0|2,0,0]=3 2473 B11R1.280 Cc1ccc(cc1CO)O[13CH3] 34a_100009878257_200025704644 [0,1,0,0,0,0|2,0,0]=3 2474 B11R1.280 Cc1ccc(cc1CO)O[13CH3] 7a_100009878257_200025704644 [0,1,0,0,0,0|2,0,0]=3 2475 B11R1.280 Cc1ccc(cc1CO)S[13CH3] 62a_100000700630_200025704644 [0,1,0,0,0,0|2,1,0]=4 2476 B11R1.280 Cc1ccc(cc1CO)S[13CH3] 62a_200025704644_100000700630 [0,1,0,0,0,0|2,1,0]=4 2477 B11R1.280 Cc1ccc(cc1N[13CH3])C#N 34a_100000748024_200025704644 [0,1,0,0,0,0|3,0,0]=4 2478 B11R1.280 Cc1ccc(cc1N[13CH3])C#N 7a_100000748024_200025704644 [0,1,0,0,0,0|3,0,0]=4 2479 B11R1.280 Cc1ccc(cc1N[13CH3])CO 2230a_100000758420_200025704644 [0,1,0,0,0,0|3,0,0]=4 2480 B11R1.280 Cc1ccc(cc1N[13CH3])CO 34a_100000758420_200025704644 [0,1,0,0,0,0|3,0,0]=4 2481 B11R1.280 Cc1ccc(cc1O[13CH3])C#N 34a_100000765541_200025704644 [0,1,0,0,0,0|2,0,0]=3 2482 B11R1.280 Cc1ccc(cc1O[13CH3])C#N 7a_100000765541_200025704644 [0,1,0,0,0,0|2,0,0]=3 2483 B11R1.280 Cc1ccc(cc1S[13CH3])C#N 62a_200025704644_100000690169 [0,1,0,0,0,0|2,1,0]=4 2484 B11R1.280 Cc1ccc(cc1S[13CH3])C=O 62a_100000695567_200025704644 [0,1,0,0,0,0|2,1,0]=4 2485 B11R1.280 Cc1ccc(cc1S[13CH3])C=O 62a_200025704644_100000695567 [0,1,0,0,0,0|2,1,0]=4 2486 B11R1.280 Cc1ccc(cc1S[13CH3])CO 62a_100000708995_200025704644 [0,1,0,0,0,0|2,1,0]=4 2487 B11R1.280 Cc1ccc(cc1S[13CH3])CO 62a_200025704644_100000708995 [0,1,0,0,0,0|2,1,0]=4 2488 B11R1.280 Cc1ccc(cc1S[13CH3])NN 62a_100016991967_200025704644 [0,1,0,0,0,0|2,1,0]=4 2489 B11R1.280 Cc1ccc(cc1S[13CH3])NN 62a_200025704644_100016991967 [0,1,0,0,0,0|2,1,0]=4 2490 B11R1.280 [13CH3]Nc1cc(ccc1Br)C#N 34a_100012001879_200025704644 [0,1,0,0,0,0|3,0,0]=4 2491 B11R1.280 [13CH3]Nc1cc(ccc1Br)C#N 7a_100012001879_200025704644 [0,1,0,0,0,0|3,0,0]=4 2492 B11R1.280 [13CH3]Nc1cc(ccc1Br)CO 34a_100012347568_200025704644 [0,1,0,0,0,0|3,0,0]=4 2493 B11R1.280 [13CH3]Nc1cc(ccc1Cl)C#N 34a_100000766345_200025704644 [0,1,0,0,0,0|3,0,0]=4 2494 B11R1.280 [13CH3]Nc1cc(ccc1Cl)C#N 7a_100000766345_200025704644 [0,1,0,0,0,0|3,0,0]=4 2495 B11R1.280 [13CH3]Nc1cc(ccc1Cl)CO 34a_106256033963_200025704644 [0,1,0,0,0,0|3,0,0]=4 2496 B11R1.280 [13CH3]Nc1cc(ccc1F)C#N 34a_100011934650_200025704644 [0,1,0,0,0,0|3,0,0]=4 2497 B11R1.280 [13CH3]Nc1cc(ccc1F)C#N 7a_100011934650_200025704644 [0,1,0,0,0,0|3,0,0]=4 2498 B11R1.280 [13CH3]Nc1cc(ccc1F)CO 2230a_102125399562_200025704644 [0,1,0,0,0,0|3,0,0]=4 2499 B11R1.280 [13CH3]Nc1cc(ccc1F)CO 34a_102125399562_200025704644 [0,1,0,0,0,0|3,0,0]=4 2500 B11R1.280 [13CH3]Nc1cc(ccc1I)C#N 34a_200012349464_200025704644 [0,1,0,0,0,0|3,0,0]=4 2501 B11R1.280 [13CH3]Nc1cc(ccc1I)C#N 7a_200012349464_200025704644 [0,1,0,0,0,0|3,0,0]=4 2502 B11R1.280 [13CH3]Nc1cc(ccc1O)C#N 34a_100000766272_200025704644 [0,1,0,0,0,0|3,0,0]=4 2503 B11R1.280 [13CH3]Nc1cc(ccc1O)C#N 7a_100000766272_200025704644 [0,1,0,0,0,0|3,0,0]=4 2504 B11R1.280 [13CH3]Nc1cc(ccc1O)CO 34a_100000123545_200025704644 [0,1,0,0,0,0|3,0,0]=4 2505 B11R1.280 [13CH3]Nc1ccc(c(c1)C#N)Br 34a_100011934039_200025704644 [0,1,0,0,0,0|3,0,0]=4 2506 B11R1.280 [13CH3]Nc1ccc(c(c1)C#N)Br 7a_100011934039_200025704644 [0,1,0,0,0,0|3,0,0]=4 2507 B11R1.280 [13CH3]Nc1ccc(c(c1)C#N)Cl 34a_100000239497_200025704644 [0,1,0,0,0,0|3,0,0]=4 2508 B11R1.280 [13CH3]Nc1ccc(c(c1)C#N)Cl 7a_100000239497_200025704644 [0,1,0,0,0,0|3,0,0]=4 2509 B11R1.280 [13CH3]Nc1ccc(c(c1)C#N)F 34a_100000748589_200025704644 [0,1,0,0,0,0|3,0,0]=4 2510 B11R1.280 [13CH3]Nc1ccc(c(c1)C#N)F 7a_100000748589_200025704644 [0,1,0,0,0,0|3,0,0]=4 2511 B11R1.280 [13CH3]Nc1ccc(c(c1)C#N)O 34a_100011249283_200025704644 [0,1,0,0,0,0|3,0,0]=4 2512 B11R1.280 [13CH3]Nc1ccc(c(c1)CO)Br 2230a_100012347228_200025704644 [0,1,0,0,0,0|3,0,0]=4 2513 B11R1.280 [13CH3]Nc1ccc(c(c1)CO)Br 34a_100012347228_200025704644 [0,1,0,0,0,0|3,0,0]=4 2514 B11R1.280 [13CH3]Nc1ccc(c(c1)CO)Cl 2230a_100011273577_200025704644 [0,1,0,0,0,0|3,0,0]=4 2515 B11R1.280 [13CH3]Nc1ccc(c(c1)CO)Cl 34a_100011273577_200025704644 [0,1,0,0,0,0|3,0,0]=4 2516 B11R1.280 [13CH3]Nc1ccc(c(c1)CO)F 34a_100011218011_200025704644 [0,1,0,0,0,0|3,0,0]=4 2517 B11R1.280 [13CH3]Oc1cc(ccc1Br)C#N 34a_100009877741_200025704644 [0,1,0,0,0,0|2,0,0]=3 2518 B11R1.280 [13CH3]Oc1cc(ccc1Br)C#N 7a_100009877741_200025704644 [0,1,0,0,0,0|2,0,0]=3 2519 B11R1.280 [13CH3]Oc1cc(ccc1Br)CO 34a_100010191536_200025704644 [0,1,0,0,0,0|2,0,0]=3 2520 B11R1.280 [13CH3]Oc1cc(ccc1Br)CO 7a_100010191536_200025704644 [0,1,0,0,0,0|2,0,0]=3 2521 B11R1.280 [13CH3]Oc1cc(ccc1Cl)C#N 34a_100012186312_200025704644 [0,1,0,0,0,0|2,0,0]=3 2522 B11R1.280 [13CH3]Oc1cc(ccc1Cl)C#N 7a_100012186312_200025704644 [0,1,0,0,0,0|2,0,0]=3 2523 B11R1.280 [13CH3]Oc1cc(ccc1Cl)CN 34a_100020636435_200025704644 [0,1,0,0,0,0|2,0,0]=3 2524 B11R1.280 [13CH3]Oc1cc(ccc1Cl)CO 34a_100009876509_200025704644 [0,1,0,0,0,0|2,0,0]=3 2525 B11R1.280 [13CH3]Oc1cc(ccc1Cl)CO 7a_100009876509_200025704644 [0,1,0,0,0,0|2,0,0]=3 2526 B11R1.280 [13CH3]Oc1cc(ccc1F)C#N 34a_100000069402_200025704644 [0,1,0,0,0,0|2,0,0]=3 2527 B11R1.280 [13CH3]Oc1cc(ccc1F)C#N 7a_100000069402_200025704644 [0,1,0,0,0,0|2,0,0]=3 2528 B11R1.280 [13CH3]Oc1cc(ccc1F)CN 34a_100160469508_200025704644 [0,1,0,0,0,0|2,0,0]=3 2529 B11R1.280 [13CH3]Oc1cc(ccc1F)CO 34a_100009842347_200025704644 [0,1,0,0,0,0|2,0,0]=3 2530 B11R1.280 [13CH3]Oc1cc(ccc1F)CO 7a_100009842347_200025704644 [0,1,0,0,0,0|2,0,0]=3 2531 B11R1.280 [13CH3]Oc1cc(ccc1I)C#N 34a_100000724445_200025704644 [0,1,0,0,0,0|2,0,0]=3 2532 B11R1.280 [13CH3]Oc1cc(ccc1I)C#N 7a_100000724445_200025704644 [0,1,0,0,0,0|2,0,0]=3 2533 B11R1.280 [13CH3]Oc1cc(ccc1I)CO 34a_100000049605_200025704644 [0,1,0,0,0,0|2,0,0]=3 2534 B11R1.280 [13CH3]Oc1cc(ccc1I)CO 7a_100000049605_200025704644 [0,1,0,0,0,0|2,0,0]=3 2535 B11R1.280 [13CH3]Oc1cc(ccc1N)C#N 34a_100011997735_200025704644 [0,1,0,0,0,0|2,0,0]=3 2536 B11R1.280 [13CH3]Oc1cc(ccc1N)C#N 7a_100011997735_200025704644 [0,1,0,0,0,0|2,0,0]=3 2537 B11R1.280 [13CH3]Oc1ccc(c(c1)C#N)Br 34a_100009818209_200025704644 [0,1,0,0,0,0|2,0,0]=3 2538 B11R1.280 [13CH3]Oc1ccc(c(c1)C#N)Br 7a_100009818209_200025704644 [0,1,0,0,0,0|2,0,0]=3 2539 B11R1.280 [13CH3]Oc1ccc(c(c1)C#N)Cl 34a_100000092820_200025704644 [0,1,0,0,0,0|2,0,0]=3 2540 B11R1.280 [13CH3]Oc1ccc(c(c1)C#N)Cl 7a_100000092820_200025704644 [0,1,0,0,0,0|2,0,0]=3 2541 B11R1.280 [13CH3]Oc1ccc(c(c1)C#N)F 34a_100000070142_200025704644 [0,1,0,0,0,0|2,0,0]=3 2542 B11R1.280 [13CH3]Oc1ccc(c(c1)C#N)F 7a_100000070142_200025704644 [0,1,0,0,0,0|2,0,0]=3 2543 B11R1.280 [13CH3]Oc1ccc(c(c1)C#N)N 34a_200011997737_200025704644 [0,1,0,0,0,0|2,0,0]=3 2544 B11R1.280 [13CH3]Oc1ccc(c(c1)C#N)N 7a_200011997737_200025704644 [0,1,0,0,0,0|2,0,0]=3 2545 B11R1.280 [13CH3]Oc1ccc(c(c1)CO)Br 34a_100012351483_200025704644 [0,1,0,0,0,0|2,0,0]=3 2546 B11R1.280 [13CH3]Oc1ccc(c(c1)CO)Br 7a_100012351483_200025704644 [0,1,0,0,0,0|2,0,0]=3 2547 B11R1.280 [13CH3]Oc1ccc(c(c1)CO)Cl 34a_100000091669_200025704644 [0,1,0,0,0,0|2,0,0]=3 2548 B11R1.280 [13CH3]Oc1ccc(c(c1)CO)Cl 7a_100000091669_200025704644 [0,1,0,0,0,0|2,0,0]=3 2549 B11R1.280 [13CH3]Sc1cc(ccc1Br)C#N 62a_200025704644_100012349583 [0,1,0,0,0,0|2,1,0]=4 2550 B11R1.280 [13CH3]Sc1cc(ccc1Br)C=O 62a_100010146563_200025704644 [0,1,0,0,0,0|2,1,0]=4 2551 B11R1.280 [13CH3]Sc1cc(ccc1Br)C=O 62a_200025704644_100010146563 [0,1,0,0,0,0|2,1,0]=4 2552 B11R1.280 [13CH3]Sc1cc(ccc1Cl)C#N 62a_200025704644_100010199462 [0,1,0,0,0,0|2,1,0]=4 2553 B11R1.280 [13CH3]Sc1cc(ccc1Cl)C=O 62a_100010209939_200025704644 [0,1,0,0,0,0|2,1,0]=4 2554 B11R1.280 [13CH3]Sc1cc(ccc1Cl)C=O 62a_200025704644_100010209939 [0,1,0,0,0,0|2,1,0]=4 2555 B11R1.280 [13CH3]Sc1cc(ccc1F)C#N 62a_200025704644_100000188605 [0,1,0,0,0,0|2,1,0]=4 2556 B11R1.280 [13CH3]Sc1cc(ccc1F)C=O 62a_100000211747_200025704644 [0,1,0,0,0,0|2,1,0]=4 2557 B11R1.280 [13CH3]Sc1cc(ccc1F)C=O 62a_200025704644_100000211747 [0,1,0,0,0,0|2,1,0]=4 2558 B11R1.280 [13CH3]Sc1cc(ccc1F)CN 62a_100015193890_200025704644 [0,1,0,0,0,0|2,1,0]=4 2559 B11R1.280 [13CH3]Sc1cc(ccc1F)CN 62a_200025704644_100015193890 [0,1,0,0,0,0|2,1,0]=4 2560 B11R1.280 [13CH3]Sc1cc(ccc1F)CO 62a_100000246287_200025704644 [0,1,0,0,0,0|2,1,0]=4 2561 B11R1.280 [13CH3]Sc1cc(ccc1F)CO 62a_200025704644_100000246287 [0,1,0,0,0,0|2,1,0]=4 2562 B11R1.280 [13CH3]Sc1cc(ccc1F)NN 62a_200025704644_200025705588 [0,1,0,0,0,0|2,1,0]=4 2563 B11R1.280 [13CH3]Sc1cc(ccc1F)NN 62a_200025705588_200025704644 [0,1,0,0,0,0|2,1,0]=4 2564 B11R1.280 [13CH3]Sc1cc(ccc1N)C#N 62a_200025704644_100000736769 [0,1,0,0,0,0|2,1,0]=4 2565 B11R1.280 [13CH3]Sc1cc(ccc1O)C#N 62a_200025704644_100000725478 [0,1,0,0,0,0|2,1,0]=4 2566 B11R1.280 [13CH3]Sc1cc(ccc1O)C=O 62a_100000184552_200025704644 [0,1,0,0,0,0|2,1,0]=4 2567 B11R1.280 [13CH3]Sc1cc(ccc1O)C=O 62a_200025704644_100000184552 [0,1,0,0,0,0|2,1,0]=4 2568 B11R1.280 [13CH3]Sc1cc(ccc1O)CO 62a_100011191544_200025704644 [0,1,0,0,0,0|2,1,0]=4 2569 B11R1.280 [13CH3]Sc1cc(ccc1O)CO 62a_200025704644_100011191544 [0,1,0,0,0,0|2,1,0]=4 2570 B11R1.280 [13CH3]Sc1ccc(c(c1)C#N)Br 62a_100012355174_200025704644 [0,1,0,0,0,0|2,1,0]=4 2571 B11R1.280 [13CH3]Sc1ccc(c(c1)C#N)Br 62a_200025704644_100012355174 [0,1,0,0,0,0|2,1,0]=4 2572 B11R1.280 [13CH3]Sc1ccc(c(c1)C#N)Cl 62a_200025704644_100011356831 [0,1,0,0,0,0|2,1,0]=4 2573 B11R1.280 [13CH3]Sc1ccc(c(c1)C#N)F 62a_200025704644_100000037165 [0,1,0,0,0,0|2,1,0]=4 2574 B11R1.280 [13CH3]Sc1ccc(c(c1)C#N)N 62a_200025704644_100000688460 [0,1,0,0,0,0|2,1,0]=4 2575 B11R1.280 [13CH3]Sc1ccc(c(c1)C#N)O 62a_200025704644_100000687585 [0,1,0,0,0,0|2,1,0]=4 2576 B11R1.280 [13CH3]Sc1ccc(c(c1)C=O)Br 62a_100010185652_200025704644 [0,1,0,0,0,0|2,1,0]=4 2577 B11R1.280 [13CH3]Sc1ccc(c(c1)C=O)Br 62a_200025704644_100010185652 [0,1,0,0,0,0|2,1,0]=4 2578 B11R1.280 [13CH3]Sc1ccc(c(c1)C=O)Cl 62a_100010254384_200025704644 [0,1,0,0,0,0|2,1,0]=4 2579 B11R1.280 [13CH3]Sc1ccc(c(c1)C=O)Cl 62a_200025704644_100010254384 [0,1,0,0,0,0|2,1,0]=4 2580 B11R1.280 [13CH3]Sc1ccc(c(c1)C=O)F 62a_100000050626_200025704644 [0,1,0,0,0,0|2,1,0]=4 2581 B11R1.280 [13CH3]Sc1ccc(c(c1)C=O)F 62a_200025704644_100000050626 [0,1,0,0,0,0|2,1,0]=4 2582 B11R1.280 [13CH3]Sc1ccc(c(c1)C=O)N 62a_100011935258_200025704644 [0,1,0,0,0,0|2,1,0]=4 2583 B11R1.280 [13CH3]Sc1ccc(c(c1)C=O)O 62a_200025704644_100000186750 [0,1,0,0,0,0|2,1,0]=4 2584 B11R1.280 [13CH3]Sc1ccc(c(c1)CN)F 62a_100009815772_200025704644 [0,1,0,0,0,0|2,1,0]=4 2585 B11R1.280 [13CH3]Sc1ccc(c(c1)CN)F 62a_200025704644_100009815772 [0,1,0,0,0,0|2,1,0]=4 2586 B11R1.280 [13CH3]Sc1ccc(c(c1)CN)N 62a_100012349119_200025704644 [0,1,0,0,0,0|2,1,0]=4 2587 B11R1.280 [13CH3]Sc1ccc(c(c1)CN)N 62a_200025704644_100012349119 [0,1,0,0,0,0|2,1,0]=4 2588 B11R1.280 [13CH3]Sc1ccc(c(c1)CN)O 62a_100000730032_200025704644 [0,1,0,0,0,0|2,1,0]=4 2589 B11R1.280 [13CH3]Sc1ccc(c(c1)CN)O 62a_200025704644_100000730032 [0,1,0,0,0,0|2,1,0]=4 2590 B11R1.280 [13CH3]Sc1ccc(c(c1)CO)Br 62a_100012359683_200025704644 [0,1,0,0,0,0|2,1,0]=4 2591 B11R1.280 [13CH3]Sc1ccc(c(c1)CO)Br 62a_200025704644_100012359683 [0,1,0,0,0,0|2,1,0]=4 2592 B11R1.280 [13CH3]Sc1ccc(c(c1)CO)Cl 62a_100010128486_200025704644 [0,1,0,0,0,0|2,1,0]=4 2593 B11R1.280 [13CH3]Sc1ccc(c(c1)CO)Cl 62a_200025704644_100010128486 [0,1,0,0,0,0|2,1,0]=4 2594 B11R1.280 [13CH3]Sc1ccc(c(c1)CO)F 62a_100000246282_200025704644 [0,1,0,0,0,0|2,1,0]=4 2595 B11R1.280 [13CH3]Sc1ccc(c(c1)CO)F 62a_200025704644_100000246282 [0,1,0,0,0,0|2,1,0]=4 2596 B11R1.280 [13CH3]Sc1ccc(c(c1)CO)N 62a_100012353972_200025704644 [0,1,0,0,0,0|2,1,0]=4 2597 B11R1.280 [13CH3]Sc1ccc(c(c1)CO)N 62a_200025704644_100012353972 [0,1,0,0,0,0|2,1,0]=4 2598 B11R1.280 [13CH3]Sc1ccc(c(c1)CO)O 62a_100000184703_200025704644 [0,1,0,0,0,0|2,1,0]=4 2599 B11R1.280 [13CH3]Sc1ccc(c(c1)CO)O 62a_200025704644_100000184703 [0,1,0,0,0,0|2,1,0]=4 2600 B11R1.280 [13CH3]Sc1ccc(c(c1)NN)F 62a_100020610843_200025704644 [0,1,0,0,0,0|2,1,0]=4 2601 B11R1.280 [13CH3]Sc1ccc(c(c1)NN)F 62a_200025704644_100020610843 [0,1,0,0,0,0|2,1,0]=4 2602 B11R2.190 C=Cc1ccc2c(c1)CC2 271570a_100011290941_100009818592 [0,0,0,1,0,0|2,0,1]=4 2603 B11R2.190 CSc1ccc2c(c1)CC2 62a_100009818592_200000210301 [0,0,0,1,0,0|1,1,0]=3 2604 B11R2.190 CSc1ccc2c(c1)CC2 62a_200000210301_100009818592 [0,0,0,1,0,0|1,1,0]=3 2605 B11R2.190 [13CH3]Sc1ccc2c(c1)CC2 62a_100009818592_200025704644 [0,0,0,1,0,0|1,1,0]=3 2606 B11R2.190 [13CH3]Sc1ccc2c(c1)CC2 62a_200025704644_100009818592 [0,0,0,1,0,0|1,1,0]=3 2607 B9R1.14 CCc1ccsc1SC 62a_200000210301_200009875468 [0,0,0,0,1,0|2,1,0]=4 2608 B9R1.14 CCc1ccsc1SC 62a_200009875468_200000210301 [0,0,0,0,1,0|2,1,0]=4 2609 B9R1.14 CCc1ccsc1S[13CH3] 62a_200009875468_200025704644 [0,0,0,0,1,0|2,1,0]=4 2610 B9R1.14 CCc1ccsc1S[13CH3] 62a_200025704644_200009875468 [0,0,0,0,1,0|2,1,0]=4 2611 B9R1.14 CCc1cscc1SC 62a_100011068457_200000210301 [0,0,0,0,1,0|2,1,0]=4 2612 B9R1.14 CCc1cscc1SC 62a_200000210301_100011068457 [0,0,0,0,1,0|2,1,0]=4 2613 B9R1.14 CCc1cscc1S[13CH3] 62a_100011068457_200025704644 [0,0,0,0,1,0|2,1,0]=4 2614 B9R1.14 CCc1cscc1S[13CH3] 62a_200025704644_100011068457 [0,0,0,0,1,0|2,1,0]=4 2615 B9R1.14 CCn1nccc1OC 34a_100012181048_200000210301 [0,0,0,0,1,0|3,0,0]=4 2616 B9R1.14 CCn1nccc1O[13CH3] 34a_100012181048_200025704644 [0,0,0,0,1,0|3,0,0]=4 2617 B9R1.14 COc1[nH]ncc1SC 62a_100010349828_200000210301 [0,0,0,0,1,0|2,1,0]=4 2618 B9R1.14 COc1[nH]ncc1S[13CH3] 62a_100010349828_200025704644 [0,0,0,0,1,0|2,1,0]=4 2619 B9R1.14 COc1n[nH]cc1SC 62a_200000210301_100010982843 [0,0,0,0,1,0|2,1,0]=4 2620 B9R1.14 COc1n[nH]cc1S[13CH3] 62a_200025704644_100010982843 [0,0,0,0,1,0|2,1,0]=4 2621 B9R1.14 CSc1ccsc1SC 62a_200000210301_200010341309 [0,0,0,0,1,0|1,2,0]=4 2622 B9R1.14 CSc1ccsc1SC 62a_200010341309_200000210301 [0,0,0,0,1,0|1,2,0]=4 2623 B9R1.14 CSc1sccc1S[13CH3] 62a_200010341309_200025704644 [0,0,0,0,1,0|1,2,0]=4 2624 B9R1.14 CSc1sccc1S[13CH3] 62a_200025704644_200010341309 [0,0,0,0,1,0|1,2,0]=4 2625 B9R1.21 CCc1cc(cs1)SC 62a_100009846239_200000210301 [0,0,0,0,1,0|2,1,0]=4 2626 B9R1.21 CCc1cc(cs1)SC 62a_200000210301_100009846239 [0,0,0,0,1,0|2,1,0]=4 2627 B9R1.21 CCc1cc(cs1)S[13CH3] 62a_100009846239_200025704644 [0,0,0,0,1,0|2,1,0]=4 2628 B9R1.21 CCc1cc(cs1)S[13CH3] 62a_200025704644_100009846239 [0,0,0,0,1,0|2,1,0]=4 2629 B9R1.21 CCc1cc(no1)OC 34a_200009875660_200000210301 [0,0,0,0,1,0|3,0,0]=4 2630 B9R1.21 CCc1cc(no1)O[13CH3] 34a_200009875660_200025704644 [0,0,0,0,1,0|3,0,0]=4 2631 B9R1.21 CCc1ccc(s1)SC 62a_100009844052_200000210301 [0,0,0,0,1,0|2,1,0]=4 2632 B9R1.21 CCc1ccc(s1)SC 62a_200000210301_100009844052 [0,0,0,0,1,0|2,1,0]=4 2633 B9R1.21 CCc1ccc(s1)S[13CH3] 62a_100009844052_200025704644 [0,0,0,0,1,0|2,1,0]=4 2634 B9R1.21 CCc1ccc(s1)S[13CH3] 62a_200025704644_100009844052 [0,0,0,0,1,0|2,1,0]=4 2635 B9R1.21 CCn1cc(cn1)OC 34a_100000708037_200000210301 [0,0,0,0,1,0|3,0,0]=4 2636 B9R1.21 CCn1cc(cn1)O[13CH3] 34a_100000708037_200025704644 [0,0,0,0,1,0|3,0,0]=4 2637 B9R1.21 COc1nc(cs1)SC 62a_100000727839_200000210301 [0,0,0,0,1,0|2,1,0]=4 2638 B9R1.21 COc1nc(cs1)SC 62a_200000210301_100000727839 [0,0,0,0,1,0|2,1,0]=4 2639 B9R1.21 COc1nc(cs1)S[13CH3] 62a_100000727839_200025704644 [0,0,0,0,1,0|2,1,0]=4 2640 B9R1.21 COc1nc(cs1)S[13CH3] 62a_200025704644_100000727839 [0,0,0,0,1,0|2,1,0]=4 2641 B9R1.21 COc1ncc(s1)SC 62a_100000729428_200000210301 [0,0,0,0,1,0|2,1,0]=4 2642 B9R1.21 COc1ncc(s1)SC 62a_200000210301_100000729428 [0,0,0,0,1,0|2,1,0]=4 2643 B9R1.21 COc1ncc(s1)S[13CH3] 62a_100000729428_200025704644 [0,0,0,0,1,0|2,1,0]=4 2644 B9R1.21 COc1ncc(s1)S[13CH3] 62a_200025704644_100000729428 [0,0,0,0,1,0|2,1,0]=4 2645 B9R1.21 CSc1cc(cs1)S[13CH3] 62a_200010256830_200025704644 [0,0,0,0,1,0|1,2,0]=4 2646 B9R1.21 CSc1cc(cs1)S[13CH3] 62a_200025704644_200010256830 [0,0,0,0,1,0|1,2,0]=4 2647 B9R1.21 CSc1csc(c1)SC 62a_200000210301_200010256830 [0,0,0,0,1,0|1,2,0]=4 2648 B9R1.21 CSc1csc(c1)SC 62a_200010256830_200000210301 [0,0,0,0,1,0|1,2,0]=4 2649 B8R0.1 C=CCC(=O)C=COC 1458a_100016268678_100000210623 [1,0,1,0,0,0|0,0,2]=4 2650 B8R0.6 C/C=C/C=CC(=O)CC 1458a_100000185730_100000210202 [1,0,1,0,0,0|2,0,0]=4 2651 B8R0.6 C/C=C/C=CC(=O)NC 11a_106832991635_100000185730 [1,0,1,0,0,0|2,0,0]=4 2652 B8R0.6 C/C=C/C=CC(=O)NC 1626a_100102657272_100000185730 [1,0,1,0,0,0|2,0,0]=4 2653 B8R0.6 C/C=C/C=CC(=O)NC 240690a_100102657272_100000185730 [1,0,1,0,0,0|2,0,0]=4 2654 B8R0.6 COC/C=C/C(=O)OC 34a_100138415774_100000742655 [1,0,1,0,0,0|1,0,1]=4 2655 B8R1.2 C=Cc1ccccc1 271570a_100011290941_100000210277 [2,0,0,0,0,0|1,0,1]=4 2656 B8R1.2 CNc1ccccc1 34a_100000106764_200000210301 [2,0,0,0,0,0|1,0,0]=3 2657 B8R1.2 COc1ccccc1 34a_100000210340_200000210301 [2,0,0,0,0,0|0,0,0]=2 2658 B8R1.2 COc1ccccc1 7a_100000210340_200000210301 [2,0,0,0,0,0|0,0,0]=2 2659 B8R1.2 COc1cccnc1 34a_100000210849_200000210301 [2,0,0,0,0,0|1,0,0]=3 2660 B8R1.2 COc1cccnc1 7a_100000210849_200000210301 [2,0,0,0,0,0|1,0,0]=3 2661 B8R1.2 COc1ccncc1 34a_100000212176_200000210301 [2,0,0,0,0,0|1,0,0]=3 2662 B8R1.2 COc1ccnnc1 34a_100015204005_200000210301 [2,0,0,0,0,0|2,0,0]=4 2663 B8R1.2 COc1cncnc1 7a_100000754086_200000210301 [2,0,0,0,0,0|2,0,0]=4 2664 B8R1.2 CSc1ccccc1 62a_100000719477_200000210301 [2,0,0,0,0,0|0,1,0]=3 2665 B8R1.2 CSc1ccccc1 62a_200000210301_100000041952 [2,0,0,0,0,0|0,1,0]=3 2666 B8R1.2 CSc1ccccn1 62a_100011216584_200000210301 [2,0,0,0,0,0|1,1,0]=4 2667 B8R1.2 CSc1ccccn1 62a_200000210301_100011216584 [2,0,0,0,0,0|1,1,0]=4 2668 B8R1.2 CSc1cccnc1 62a_100000210063_200000210301 [2,0,0,0,0,0|1,1,0]=4 2669 B8R1.2 CSc1cccnc1 62a_200000210301_100000210063 [2,0,0,0,0,0|1,1,0]=4 2670 B8R1.2 CSc1ccncc1 62a_100000728582_200000210301 [2,0,0,0,0,0|1,1,0]=4 2671 B8R1.2 CSc1ccncc1 62a_200000210301_100000728582 [2,0,0,0,0,0|1,1,0]=4 2672 B8R1.2 [13CH3]Nc1ccccc1 34a_100000106764_200025704644 [2,0,0,0,0,0|1,0,0]=3 2673 B8R1.2 [13CH3]Oc1ccccc1 34a_100000210340_200025704644 [2,0,0,0,0,0|0,0,0]=2 2674 B8R1.2 [13CH3]Oc1ccccc1 7a_100000210340_200025704644 [2,0,0,0,0,0|0,0,0]=2 2675 B8R1.2 [13CH3]Oc1cccnc1 34a_100000210849_200025704644 [2,0,0,0,0,0|1,0,0]=3 2676 B8R1.2 [13CH3]Oc1cccnc1 7a_100000210849_200025704644 [2,0,0,0,0,0|1,0,0]=3 2677 B8R1.2 [13CH3]Oc1ccncc1 34a_100000212176_200025704644 [2,0,0,0,0,0|1,0,0]=3 2678 B8R1.2 [13CH3]Oc1ccnnc1 34a_100015204005_200025704644 [2,0,0,0,0,0|2,0,0]=4 2679 B8R1.2 [13CH3]Oc1cncnc1 7a_100000754086_200025704644 [2,0,0,0,0,0|2,0,0]=4 2680 B8R1.2 [13CH3]Sc1ccccc1 62a_100000719477_200025704644 [2,0,0,0,0,0|0,1,0]=3 2681 B8R1.2 [13CH3]Sc1ccccc1 62a_200025704644_100000041952 [2,0,0,0,0,0|0,1,0]=3 2682 B8R1.2 [13CH3]Sc1ccccn1 62a_100011216584_200025704644 [2,0,0,0,0,0|1,1,0]=4 2683 B8R1.2 [13CH3]Sc1ccccn1 62a_200025704644_100011216584 [2,0,0,0,0,0|1,1,0]=4 2684 B8R1.2 [13CH3]Sc1cccnc1 62a_100000210063_200025704644 [2,0,0,0,0,0|1,1,0]=4 2685 B8R1.2 [13CH3]Sc1cccnc1 62a_200025704644_100000210063 [2,0,0,0,0,0|1,1,0]=4 2686 B8R1.2 [13CH3]Sc1ccncc1 62a_100000728582_200025704644 [2,0,0,0,0,0|1,1,0]=4 2687 B8R1.2 [13CH3]Sc1ccncc1 62a_200025704644_100000728582 [2,0,0,0,0,0|1,1,0]=4 2688 B8R1.4 C[n+]1cccc(c1)O 271570a_203496583355_100009996589 [2,0,0,0,0,0|1,0,0]=3 2689 B8R1.4 Cc1cc(ccn1)O 271570a_203496583355_100000758586 [2,0,0,0,0,0|1,0,0]=3 2690 B8R1.4 Cc1cc(ncn1)O 271570a_203496583355_100000744208 [2,0,0,0,0,0|2,0,0]=4 2691 B8R1.4 Cc1cccc(c1)O 271570a_203496583355_100011215228 [2,0,0,0,0,0|0,0,0]=2 2692 B8R1.4 Cc1cccc(n1)O 271570a_203496583355_100000742759 [2,0,0,0,0,0|1,0,0]=3 2693 B8R1.4 Cc1ccnc(c1)O 271570a_203496583355_100000750283 [2,0,0,0,0,0|1,0,0]=3 2694 B8R1.4 Cc1ccnc(n1)O 271570a_203496583355_100011243806 [2,0,0,0,0,0|2,0,0]=4 2695 B8R1.4 Cc1cncc(c1)O 271570a_203496583355_100000760492 [2,0,0,0,0,0|1,0,0]=3 2696 B8R1.4 Cc1cncc(n1)O 271570a_203496583355_100009842155 [2,0,0,0,0,0|2,0,0]=4 2697 B8R1.4 Cc1cnnc(c1)O 271570a_203496583355_100000070100 [2,0,0,0,0,0|2,0,0]=4 2698 B8R1.4 Cc1nccc(n1)O 271570a_203496583355_100000749937 [2,0,0,0,0,0|2,0,0]=4 2699 B8R1.4 Nc1cc(ccn1)O 271570a_203496583355_100000744379 [2,0,0,0,0,0|2,0,0]=4 2700 B8R1.4 Nc1cccc(c1)O 271570a_203496583355_100000210019 [2,0,0,0,0,0|1,0,0]=3 2701 B8R1.4 Nc1cccc(n1)O 271570a_203496583355_100000740741 [2,0,0,0,0,0|2,0,0]=4 2702 B8R1.4 Nc1ccnc(c1)O 271570a_203496583355_100009814236 [2,0,0,0,0,0|2,0,0]=4 2703 B8R1.4 Nc1cncc(c1)O 271570a_203496583355_100000687067 [2,0,0,0,0,0|2,0,0]=4 2704 B8R1.4 O=c1cc(cc[nH]1)O 271570a_203496583355_100009816521 [2,0,0,0,0,0|1,0,1]=4 2705 B8R1.4 O=c1cccc([nH]1)O 271570a_203496583355_100000761760 [2,0,0,0,0,0|1,0,1]=4 2706 B8R1.4 Oc1cc(ccn1)Cl 271570a_203496583355_100010167805 [2,0,0,0,0,0|2,0,0]=4 2707 B8R1.4 Oc1cc(ccn1)F 271570a_203496583355_100009817058 [2,0,0,0,0,0|2,0,0]=4 2708 B8R1.4 Oc1cc(ncn1)O 271570a_203496583355_100000765262 [2,0,0,0,0,0|2,0,0]=4 2709 B8R1.4 Oc1cccc(c1)Br 271570a_203496583355_100000691529 [2,0,0,0,0,0|1,0,0]=3 2710 B8R1.4 Oc1cccc(c1)Cl 271570a_203496583355_100000699651 [2,0,0,0,0,0|1,0,0]=3 2711 B8R1.4 Oc1cccc(c1)F 271570a_203496583355_100000685547 [2,0,0,0,0,0|1,0,0]=3 2712 B8R1.4 Oc1cccc(c1)O 271570a_203496583355_100000211634 [2,0,0,0,0,0|0,0,0]=2 2713 B8R1.4 Oc1cccc(c1)[S] 271570a_203496583355_114929384022 [2,0,0,0,0,0|0,1,0]=3 2714 B8R1.4 Oc1cccc(n1)Br 271570a_203496583355_100000684672 [2,0,0,0,0,0|2,0,0]=4 2715 B8R1.4 Oc1cccc(n1)F 271570a_203496583355_100009815982 [2,0,0,0,0,0|2,0,0]=4 2716 B8R1.4 Oc1ccnc(c1)Br 271570a_203496583355_100009814637 [2,0,0,0,0,0|2,0,0]=4 2717 B8R1.4 Oc1ccnc(c1)Cl 271570a_203496583355_100000035001 [2,0,0,0,0,0|2,0,0]=4 2718 B8R1.4 Oc1ccnc(c1)F 271570a_203496583355_100009816116 [2,0,0,0,0,0|2,0,0]=4 2719 B8R1.4 Oc1ccnc(c1)O 271570a_203496583355_100000762945 [2,0,0,0,0,0|1,0,0]=3 2720 B8R1.4 Oc1ccnc(n1)O 271570a_203496583355_100011649813 [2,0,0,0,0,0|2,0,0]=4 2721 B8R1.4 Oc1cncc(c1)Br 271570a_203496583355_100000728054 [2,0,0,0,0,0|2,0,0]=4 2722 B8R1.4 Oc1cncc(c1)Cl 271570a_203496583355_100000049639 [2,0,0,0,0,0|2,0,0]=4 2723 B8R1.4 Oc1cncc(c1)F 271570a_203496583355_100000744099 [2,0,0,0,0,0|2,0,0]=4 2724 B8R1.4 Oc1cncc(c1)O 271570a_203496583355_100000754920 [2,0,0,0,0,0|1,0,0]=3 2725 B8R1.4 Oc1cncc(n1)O 271570a_203496583355_100011269956 [2,0,0,0,0,0|2,0,0]=4 2726 B8R1.4 Oc1cnnc(c1)O 271570a_203496583355_200010734679 [2,0,0,0,0,0|2,0,0]=4 2727 B8R1.4 [O-][n+]1cccc(c1)O 271570a_203496583355_100009815978 [2,0,0,0,0,0|1,0,1]=4 2728 B10R0.18 COC=CC(=O)CC(=O)OC 1458a_100016268678_100000747449 [0,1,1,0,0,0|1,0,1]=4 2729 B10R1.2 C=Cc1cccc(c1Br)O 271570a_100011290941_100010187914 [1,1,0,0,0,0|1,0,1]=4 2730 B10R1.2 C=Cc1cccc(c1C)C 271570a_100011290941_100011214922 [1,1,0,0,0,0|1,0,1]=4 2731 B10R1.2 C=Cc1cccc(c1C)O 271570a_100011290941_100012002258 [1,1,0,0,0,0|1,0,1]=4 2732 B10R1.2 C=Cc1cccc(c1Cl)C 271570a_100011290941_200012352035 [1,1,0,0,0,0|1,0,1]=4 2733 B10R1.2 C=Cc1cccc(c1Cl)O 271570a_100011290941_100000049636 [1,1,0,0,0,0|1,0,1]=4 2734 B10R1.2 C=Cc1cccc(c1F)C 271570a_100011290941_100000717567 [1,1,0,0,0,0|1,0,1]=4 2735 B10R1.2 C=Cc1cccc(c1F)O 271570a_100011290941_100009817021 [1,1,0,0,0,0|1,0,1]=4 2736 B10R1.2 C=Cc1cccc(c1N)C 271570a_100011290941_100011834072 [1,1,0,0,0,0|1,0,1]=4 2737 B10R1.2 C=Cc1cccc(c1N)O 271570a_100011290941_100011934926 [1,1,0,0,0,0|1,0,1]=4 2738 B10R1.2 C=Cc1cccc(c1O)C 271570a_100011290941_100009817157 [1,1,0,0,0,0|1,0,1]=4 2739 B10R1.2 C=Cc1cccc(c1O)O 271570a_100011290941_100009815950 [1,1,0,0,0,0|1,0,1]=4 2740 B10R1.2 CCc1cccc(c1O)C 271570a_203496583355_100000036235 [1,1,0,0,0,0|1,0,0]=3 2741 B10R1.2 CCc1cccc(c1O)O 271570a_203496583355_200010001580 [1,1,0,0,0,0|1,0,0]=3 2742 B10R1.2 CNc1cccc(c1Br)C 34a_100000684715_200000210301 [1,1,0,0,0,0|1,0,0]=3 2743 B10R1.2 CNc1cccc(c1Br)Cl 34a_100000687072_200000210301 [1,1,0,0,0,0|2,0,0]=4 2744 B10R1.2 CNc1cccc(c1Br)F 34a_100011934729_200000210301 [1,1,0,0,0,0|2,0,0]=4 2745 B10R1.2 CNc1cccc(c1Br)O 34a_100012183704_200000210301 [1,1,0,0,0,0|1,0,0]=3 2746 B10R1.2 CNc1cccc(c1Br)O 7a_100012183704_200000210301 [1,1,0,0,0,0|1,0,0]=3 2747 B10R1.2 CNc1cccc(c1C)Br 34a_100000750434_200000210301 [1,1,0,0,0,0|2,0,0]=4 2748 B10R1.2 CNc1cccc(c1C)C 2230a_100000210026_200000210301 [1,1,0,0,0,0|1,0,0]=3 2749 B10R1.2 CNc1cccc(c1C)C 34a_100000210026_200000210301 [1,1,0,0,0,0|1,0,0]=3 2750 B10R1.2 CNc1cccc(c1C)C 7a_100000210026_200000210301 [1,1,0,0,0,0|1,0,0]=3 2751 B10R1.2 CNc1cccc(c1C)Cl 2230a_100000210441_200000210301 [1,1,0,0,0,0|2,0,0]=4 2752 B10R1.2 CNc1cccc(c1C)Cl 34a_100000210441_200000210301 [1,1,0,0,0,0|2,0,0]=4 2753 B10R1.2 CNc1cccc(c1C)Cl 7a_100000210441_200000210301 [1,1,0,0,0,0|2,0,0]=4 2754 B10R1.2 CNc1cccc(c1C)F 34a_100000745574_200000210301 [1,1,0,0,0,0|2,0,0]=4 2755 B10R1.2 CNc1cccc(c1C)F 7a_100000745574_200000210301 [1,1,0,0,0,0|2,0,0]=4 2756 B10R1.2 CNc1cccc(c1C)I 34a_100000761887_200000210301 [1,1,0,0,0,0|2,0,0]=4 2757 B10R1.2 CNc1cccc(c1C)O 34a_100011216573_200000210301 [1,1,0,0,0,0|1,0,0]=3 2758 B10R1.2 CNc1cccc(c1C)O 7a_100011216573_200000210301 [1,1,0,0,0,0|1,0,0]=3 2759 B10R1.2 CNc1cccc(c1Cl)Br 34a_100000687075_200000210301 [1,1,0,0,0,0|2,0,0]=4 2760 B10R1.2 CNc1cccc(c1Cl)C 34a_100000765562_200000210301 [1,1,0,0,0,0|1,0,0]=3 2761 B10R1.2 CNc1cccc(c1Cl)C 7a_100000765562_200000210301 [1,1,0,0,0,0|1,0,0]=3 2762 B10R1.2 CNc1cccc(c1Cl)Cl 34a_100000185733_200000210301 [1,1,0,0,0,0|2,0,0]=4 2763 B10R1.2 CNc1cccc(c1Cl)F 34a_100000692321_200000210301 [1,1,0,0,0,0|2,0,0]=4 2764 B10R1.2 CNc1cccc(c1Cl)O 34a_100012002038_200000210301 [1,1,0,0,0,0|1,0,0]=3 2765 B10R1.2 CNc1cccc(c1Cl)O 7a_100012002038_200000210301 [1,1,0,0,0,0|1,0,0]=3 2766 B10R1.2 CNc1cccc(c1F)Br 2230a_100011935091_200000210301 [1,1,0,0,0,0|2,0,0]=4 2767 B10R1.2 CNc1cccc(c1F)Br 34a_100011935091_200000210301 [1,1,0,0,0,0|2,0,0]=4 2768 B10R1.2 CNc1cccc(c1F)C 2230a_100000697159_200000210301 [1,1,0,0,0,0|1,0,0]=3 2769 B10R1.2 CNc1cccc(c1F)C 34a_100000697159_200000210301 [1,1,0,0,0,0|1,0,0]=3 2770 B10R1.2 CNc1cccc(c1F)C 7a_100000697159_200000210301 [1,1,0,0,0,0|1,0,0]=3 2771 B10R1.2 CNc1cccc(c1F)Cl 2230a_100000199060_200000210301 [1,1,0,0,0,0|2,0,0]=4 2772 B10R1.2 CNc1cccc(c1F)Cl 34a_100000199060_200000210301 [1,1,0,0,0,0|2,0,0]=4 2773 B10R1.2 CNc1cccc(c1F)F 34a_100000743855_200000210301 [1,1,0,0,0,0|2,0,0]=4 2774 B10R1.2 CNc1cccc(c1I)Br 34a_100020590159_200000210301 [1,1,0,0,0,0|2,0,0]=4 2775 B10R1.2 CNc1cccc(c1I)C 34a_100000761888_200000210301 [1,1,0,0,0,0|1,0,0]=3 2776 B10R1.2 CNc1cccc(c1I)Cl 34a_100000049713_200000210301 [1,1,0,0,0,0|2,0,0]=4 2777 B10R1.2 CNc1cccc(c1I)F 34a_100000690935_200000210301 [1,1,0,0,0,0|2,0,0]=4 2778 B10R1.2 CNc1cccc(c1N)O 271570a_203496583355_100000695761 [1,1,0,0,0,0|1,0,0]=3 2779 B10R1.2 CNc1cccc(c1O)Br 34a_100011934915_200000210301 [1,1,0,0,0,0|2,0,0]=4 2780 B10R1.2 CNc1cccc(c1O)C 34a_100000756359_200000210301 [1,1,0,0,0,0|1,0,0]=3 2781 B10R1.2 CNc1cccc(c1O)Cl 34a_100000754742_200000210301 [1,1,0,0,0,0|2,0,0]=4 2782 B10R1.2 CNc1cccc(c1O)F 34a_100011934987_200000210301 [1,1,0,0,0,0|2,0,0]=4 2783 B10R1.2 CNc1ccnc(c1Cl)C 27a_100102657272_100000698670 [1,1,0,0,0,0|2,0,0]=4 2784 B10R1.2 CNc1ccnc(c1F)C 27a_100102657272_100009849794 [1,1,0,0,0,0|2,0,0]=4 2785 B10R1.2 CNc1ccnc(c1N)O 271570a_203496583355_200000076579 [1,1,0,0,0,0|2,0,0]=4 2786 B10R1.2 COc1cccc(c1Br)Br 34a_100010187966_200000210301 [1,1,0,0,0,0|1,0,0]=3 2787 B10R1.2 COc1cccc(c1Br)Br 7a_100010187966_200000210301 [1,1,0,0,0,0|1,0,0]=3 2788 B10R1.2 COc1cccc(c1Br)C 34a_100000686692_200000210301 [1,1,0,0,0,0|0,0,0]=2 2789 B10R1.2 COc1cccc(c1Br)C 7a_100000686692_200000210301 [1,1,0,0,0,0|0,0,0]=2 2790 B10R1.2 COc1cccc(c1Br)Cl 34a_100012348804_200000210301 [1,1,0,0,0,0|1,0,0]=3 2791 B10R1.2 COc1cccc(c1Br)Cl 7a_100012348804_200000210301 [1,1,0,0,0,0|1,0,0]=3 2792 B10R1.2 COc1cccc(c1Br)F 34a_100009820682_200000210301 [1,1,0,0,0,0|1,0,0]=3 2793 B10R1.2 COc1cccc(c1Br)F 7a_100009820682_200000210301 [1,1,0,0,0,0|1,0,0]=3 2794 B10R1.2 COc1cccc(c1Br)I 34a_100010187914_200000210301 [1,1,0,0,0,0|1,0,0]=3 2795 B10R1.2 COc1cccc(c1Br)I 7a_100010187914_200000210301 [1,1,0,0,0,0|1,0,0]=3 2796 B10R1.2 COc1cccc(c1Br)N 34a_100012183704_200000210301 [1,1,0,0,0,0|1,0,0]=3 2797 B10R1.2 COc1cccc(c1Br)N 7a_100012183704_200000210301 [1,1,0,0,0,0|1,0,0]=3 2798 B10R1.2 COc1cccc(c1C)Br 34a_100012002258_200000210301 [1,1,0,0,0,0|1,0,0]=3 2799 B10R1.2 COc1cccc(c1C)Br 7a_100012002258_200000210301 [1,1,0,0,0,0|1,0,0]=3 2800 B10R1.2 COc1cccc(c1C)C 34a_100000185855_200000210301 [1,1,0,0,0,0|0,0,0]=2 2801 B10R1.2 COc1cccc(c1C)C 7a_100000185855_200000210301 [1,1,0,0,0,0|0,0,0]=2 2802 B10R1.2 COc1cccc(c1C)Cl 34a_100011265684_200000210301 [1,1,0,0,0,0|1,0,0]=3 2803 B10R1.2 COc1cccc(c1C)Cl 7a_100011265684_200000210301 [1,1,0,0,0,0|1,0,0]=3 2804 B10R1.2 COc1cccc(c1C)F 34a_100011217231_200000210301 [1,1,0,0,0,0|1,0,0]=3 2805 B10R1.2 COc1cccc(c1C)F 7a_100011217231_200000210301 [1,1,0,0,0,0|1,0,0]=3 2806 B10R1.2 COc1cccc(c1C)N 34a_100011216573_200000210301 [1,1,0,0,0,0|1,0,0]=3 2807 B10R1.2 COc1cccc(c1C)N 7a_100011216573_200000210301 [1,1,0,0,0,0|1,0,0]=3 2808 B10R1.2 COc1cccc(c1C)O 271570a_203496583355_100010002647 [1,1,0,0,0,0|0,0,0]=2 2809 B10R1.2 COc1cccc(c1Cl)Br 34a_100010187913_200000210301 [1,1,0,0,0,0|1,0,0]=3 2810 B10R1.2 COc1cccc(c1Cl)Br 7a_100010187913_200000210301 [1,1,0,0,0,0|1,0,0]=3 2811 B10R1.2 COc1cccc(c1Cl)C 34a_100000695629_200000210301 [1,1,0,0,0,0|0,0,0]=2 2812 B10R1.2 COc1cccc(c1Cl)C 7a_100000695629_200000210301 [1,1,0,0,0,0|0,0,0]=2 2813 B10R1.2 COc1cccc(c1Cl)Cl 34a_100000211076_200000210301 [1,1,0,0,0,0|1,0,0]=3 2814 B10R1.2 COc1cccc(c1Cl)Cl 7a_100000211076_200000210301 [1,1,0,0,0,0|1,0,0]=3 2815 B10R1.2 COc1cccc(c1Cl)F 34a_100000087408_200000210301 [1,1,0,0,0,0|1,0,0]=3 2816 B10R1.2 COc1cccc(c1Cl)F 7a_100000087408_200000210301 [1,1,0,0,0,0|1,0,0]=3 2817 B10R1.2 COc1cccc(c1Cl)I 34a_100000049636_200000210301 [1,1,0,0,0,0|1,0,0]=3 2818 B10R1.2 COc1cccc(c1Cl)I 7a_100000049636_200000210301 [1,1,0,0,0,0|1,0,0]=3 2819 B10R1.2 COc1cccc(c1Cl)N 34a_100012002038_200000210301 [1,1,0,0,0,0|1,0,0]=3 2820 B10R1.2 COc1cccc(c1Cl)N 7a_100012002038_200000210301 [1,1,0,0,0,0|1,0,0]=3 2821 B10R1.2 COc1cccc(c1Cl)O 271570a_203496583355_100010147677 [1,1,0,0,0,0|0,0,0]=2 2822 B10R1.2 COc1cccc(c1F)Br 34a_100009817021_200000210301 [1,1,0,0,0,0|1,0,0]=3 2823 B10R1.2 COc1cccc(c1F)Br 7a_100009817021_200000210301 [1,1,0,0,0,0|1,0,0]=3 2824 B10R1.2 COc1cccc(c1F)C 34a_100000751311_200000210301 [1,1,0,0,0,0|0,0,0]=2 2825 B10R1.2 COc1cccc(c1F)C 7a_100000751311_200000210301 [1,1,0,0,0,0|0,0,0]=2 2826 B10R1.2 COc1cccc(c1F)Cl 34a_100000687438_200000210301 [1,1,0,0,0,0|1,0,0]=3 2827 B10R1.2 COc1cccc(c1F)Cl 7a_100000687438_200000210301 [1,1,0,0,0,0|1,0,0]=3 2828 B10R1.2 COc1cccc(c1F)F 34a_100000751161_200000210301 [1,1,0,0,0,0|1,0,0]=3 2829 B10R1.2 COc1cccc(c1F)F 7a_100000751161_200000210301 [1,1,0,0,0,0|1,0,0]=3 2830 B10R1.2 COc1cccc(c1F)O 271570a_203496583355_100010185846 [1,1,0,0,0,0|0,0,0]=2 2831 B10R1.2 COc1cccc(c1I)Br 34a_100010187912_200000210301 [1,1,0,0,0,0|1,0,0]=3 2832 B10R1.2 COc1cccc(c1I)Br 7a_100010187912_200000210301 [1,1,0,0,0,0|1,0,0]=3 2833 B10R1.2 COc1cccc(c1I)C 34a_100010083724_200000210301 [1,1,0,0,0,0|0,0,0]=2 2834 B10R1.2 COc1cccc(c1I)C 7a_100010083724_200000210301 [1,1,0,0,0,0|0,0,0]=2 2835 B10R1.2 COc1cccc(c1I)Cl 34a_100000050174_200000210301 [1,1,0,0,0,0|1,0,0]=3 2836 B10R1.2 COc1cccc(c1I)Cl 7a_100000050174_200000210301 [1,1,0,0,0,0|1,0,0]=3 2837 B10R1.2 COc1cccc(c1I)F 34a_100000690913_200000210301 [1,1,0,0,0,0|1,0,0]=3 2838 B10R1.2 COc1cccc(c1I)F 7a_100000690913_200000210301 [1,1,0,0,0,0|1,0,0]=3 2839 B10R1.2 COc1cccc(c1N)Br 34a_100011934926_200000210301 [1,1,0,0,0,0|1,0,0]=3 2840 B10R1.2 COc1cccc(c1N)Br 7a_100011934926_200000210301 [1,1,0,0,0,0|1,0,0]=3 2841 B10R1.2 COc1cccc(c1N)C 34a_100000743429_200000210301 [1,1,0,0,0,0|0,0,0]=2 2842 B10R1.2 COc1cccc(c1N)C 7a_100000743429_200000210301 [1,1,0,0,0,0|0,0,0]=2 2843 B10R1.2 COc1cccc(c1N)Cl 34a_100012022510_200000210301 [1,1,0,0,0,0|1,0,0]=3 2844 B10R1.2 COc1cccc(c1N)Cl 7a_100012022510_200000210301 [1,1,0,0,0,0|1,0,0]=3 2845 B10R1.2 COc1cccc(c1N)F 34a_100020591140_200000210301 [1,1,0,0,0,0|1,0,0]=3 2846 B10R1.2 COc1cccc(c1N)F 7a_100020591140_200000210301 [1,1,0,0,0,0|1,0,0]=3 2847 B10R1.2 COc1cccc(c1N)I 34a_200000049512_200000210301 [1,1,0,0,0,0|1,0,0]=3 2848 B10R1.2 COc1cccc(c1N)I 7a_200000049512_200000210301 [1,1,0,0,0,0|1,0,0]=3 2849 B10R1.2 COc1cccc(c1N)N 34a_100000033209_200000210301 [1,1,0,0,0,0|1,0,0]=3 2850 B10R1.2 COc1cccc(c1N)O 271570a_203496583355_100000708083 [1,1,0,0,0,0|0,0,0]=2 2851 B10R1.2 COc1cccc(c1O)Br 271570a_203496583355_100010131421 [1,1,0,0,0,0|1,0,0]=3 2852 B10R1.2 COc1cccc(c1O)F 271570a_203496583355_100000041735 [1,1,0,0,0,0|1,0,0]=3 2853 B10R1.2 COc1cccc(c1O)N 271570a_203496583355_100000703447 [1,1,0,0,0,0|1,0,0]=3 2854 B10R1.2 COc1cccc(c1O)O 271570a_203496583355_100000686866 [1,1,0,0,0,0|0,0,0]=2 2855 B10R1.2 COc1cccc(c1O)O 271570a_203496583355_100010202623 [1,1,0,0,0,0|0,0,0]=2 2856 B10R1.2 COc1cccn(c1=O)C 34a_100000117616_200000210301 [1,1,0,0,0,0|1,0,0]=3 2857 B10R1.2 COc1cccn(c1=O)C 7a_100000117616_200000210301 [1,1,0,0,0,0|1,0,0]=3 2858 B10R1.2 COc1ccnc(c1Br)Cl 34a_100010136240_200000210301 [1,1,0,0,0,0|2,0,0]=4 2859 B10R1.2 COc1ccnc(c1C)O 271570a_203496583355_100010067686 [1,1,0,0,0,0|1,0,0]=3 2860 B10R1.2 COc1ccnc(c1Cl)Cl 34a_100009860235_200000210301 [1,1,0,0,0,0|2,0,0]=4 2861 B10R1.2 COc1ccnc(c1F)Br 34a_100009876375_200000210301 [1,1,0,0,0,0|2,0,0]=4 2862 B10R1.2 COc1ccnc(c1F)Cl 34a_100009856406_200000210301 [1,1,0,0,0,0|2,0,0]=4 2863 B10R1.2 COc1ccnc(c1F)O 271570a_203496583355_200010136267 [1,1,0,0,0,0|1,0,0]=3 2864 B10R1.2 COc1ccnc(c1N)Cl 34a_100000128729_200000210301 [1,1,0,0,0,0|2,0,0]=4 2865 B10R1.2 COc1ccnc(c1N)O 271570a_203496583355_100000100113 [1,1,0,0,0,0|1,0,0]=3 2866 B10R1.2 COc1cncc(c1C)O 271570a_203496583355_100010136163 [1,1,0,0,0,0|1,0,0]=3 2867 B10R1.2 COc1nccc(c1Br)C 34a_100012000493_200000210301 [1,1,0,0,0,0|1,0,0]=3 2868 B10R1.2 COc1nccc(c1C)Br 34a_100009858498_200000210301 [1,1,0,0,0,0|2,0,0]=4 2869 B10R1.2 COc1nccc(c1C)O 271570a_203496583355_100010068544 [1,1,0,0,0,0|1,0,0]=3 2870 B10R1.2 COc1nccc(c1Cl)N 34a_200000093555_200000210301 [1,1,0,0,0,0|2,0,0]=4 2871 B10R1.2 COc1nccc(c1F)O 271570a_203496583355_100009885657 [1,1,0,0,0,0|1,0,0]=3 2872 B10R1.2 COc1nccc(c1O)C 271570a_203496583355_100012353928 [1,1,0,0,0,0|1,0,0]=3 2873 B10R1.2 COc1nccc(c1O)N 271570a_203496583355_100010243811 [1,1,0,0,0,0|2,0,0]=4 2874 B10R1.2 COc1ncnc(c1C)C 34a_100000697798_200000210301 [1,1,0,0,0,0|2,0,0]=4 2875 B10R1.2 COc1ncnc(c1C)O 271570a_203496583355_200011912725 [1,1,0,0,0,0|2,0,0]=4 2876 B10R1.2 COc1ncnc(c1N)O 271570a_203496583355_100000686339 [1,1,0,0,0,0|2,0,0]=4 2877 B10R1.2 COc1ncnc(c1O)C 271570a_203496583355_100010110394 [1,1,0,0,0,0|2,0,0]=4 2878 B10R1.2 CSc1cccc(c1Br)Br 62a_100010175083_200000210301 [1,1,0,0,0,0|1,1,0]=4 2879 B10R1.2 CSc1cccc(c1Br)Br 62a_200000210301_100010175083 [1,1,0,0,0,0|1,1,0]=4 2880 B10R1.2 CSc1cccc(c1Br)C 62a_100012362457_200000210301 [1,1,0,0,0,0|0,1,0]=3 2881 B10R1.2 CSc1cccc(c1Br)C 62a_200000210301_100012362457 [1,1,0,0,0,0|0,1,0]=3 2882 B10R1.2 CSc1cccc(c1Br)Cl 62a_100014021842_200000210301 [1,1,0,0,0,0|1,1,0]=4 2883 B10R1.2 CSc1cccc(c1Br)Cl 62a_200000210301_100014021842 [1,1,0,0,0,0|1,1,0]=4 2884 B10R1.2 CSc1cccc(c1Br)F 62a_100010202630_200000210301 [1,1,0,0,0,0|1,1,0]=4 2885 B10R1.2 CSc1cccc(c1Br)F 62a_200000210301_100010202630 [1,1,0,0,0,0|1,1,0]=4 2886 B10R1.2 CSc1cccc(c1Br)O 62a_100010187914_200000210301 [1,1,0,0,0,0|0,1,0]=3 2887 B10R1.2 CSc1cccc(c1Br)O 62a_200000210301_100010187914 [1,1,0,0,0,0|0,1,0]=3 2888 B10R1.2 CSc1cccc(c1C)Br 62a_100012353703_200000210301 [1,1,0,0,0,0|1,1,0]=4 2889 B10R1.2 CSc1cccc(c1C)Br 62a_200000210301_100012353703 [1,1,0,0,0,0|1,1,0]=4 2890 B10R1.2 CSc1cccc(c1C)C 62a_100011214922_200000210301 [1,1,0,0,0,0|0,1,0]=3 2891 B10R1.2 CSc1cccc(c1C)C 62a_200000210301_100011214922 [1,1,0,0,0,0|0,1,0]=3 2892 B10R1.2 CSc1cccc(c1C)Cl 62a_100000726075_200000210301 [1,1,0,0,0,0|1,1,0]=4 2893 B10R1.2 CSc1cccc(c1C)Cl 62a_200000210301_100000726075 [1,1,0,0,0,0|1,1,0]=4 2894 B10R1.2 CSc1cccc(c1C)F 62a_100011216893_200000210301 [1,1,0,0,0,0|1,1,0]=4 2895 B10R1.2 CSc1cccc(c1C)F 62a_200000210301_100011216893 [1,1,0,0,0,0|1,1,0]=4 2896 B10R1.2 CSc1cccc(c1C)N 62a_100000761887_200000210301 [1,1,0,0,0,0|1,1,0]=4 2897 B10R1.2 CSc1cccc(c1C)N 62a_200000210301_100000761887 [1,1,0,0,0,0|1,1,0]=4 2898 B10R1.2 CSc1cccc(c1C)O 62a_100012002258_200000210301 [1,1,0,0,0,0|0,1,0]=3 2899 B10R1.2 CSc1cccc(c1C)O 62a_200000210301_100012002258 [1,1,0,0,0,0|0,1,0]=3 2900 B10R1.2 CSc1cccc(c1Cl)Br 62a_100010142854_200000210301 [1,1,0,0,0,0|1,1,0]=4 2901 B10R1.2 CSc1cccc(c1Cl)Br 62a_200000210301_100010142854 [1,1,0,0,0,0|1,1,0]=4 2902 B10R1.2 CSc1cccc(c1Cl)C 62a_200000210301_200012352035 [1,1,0,0,0,0|0,1,0]=3 2903 B10R1.2 CSc1cccc(c1Cl)C 62a_200012352035_200000210301 [1,1,0,0,0,0|0,1,0]=3 2904 B10R1.2 CSc1cccc(c1Cl)Cl 62a_100011215384_200000210301 [1,1,0,0,0,0|1,1,0]=4 2905 B10R1.2 CSc1cccc(c1Cl)Cl 62a_200000210301_100011215384 [1,1,0,0,0,0|1,1,0]=4 2906 B10R1.2 CSc1cccc(c1Cl)F 62a_200000210301_200010234923 [1,1,0,0,0,0|1,1,0]=4 2907 B10R1.2 CSc1cccc(c1Cl)F 62a_200010234923_200000210301 [1,1,0,0,0,0|1,1,0]=4 2908 B10R1.2 CSc1cccc(c1Cl)O 62a_200000210301_100000049636 [1,1,0,0,0,0|0,1,0]=3 2909 B10R1.2 CSc1cccc(c1F)Br 62a_100000702267_200000210301 [1,1,0,0,0,0|1,1,0]=4 2910 B10R1.2 CSc1cccc(c1F)Br 62a_200000210301_100000702267 [1,1,0,0,0,0|1,1,0]=4 2911 B10R1.2 CSc1cccc(c1F)C 62a_100000717567_200000210301 [1,1,0,0,0,0|0,1,0]=3 2912 B10R1.2 CSc1cccc(c1F)C 62a_200000210301_100000717567 [1,1,0,0,0,0|0,1,0]=3 2913 B10R1.2 CSc1cccc(c1F)Cl 62a_100011217346_200000210301 [1,1,0,0,0,0|1,1,0]=4 2914 B10R1.2 CSc1cccc(c1F)Cl 62a_200000210301_100011217346 [1,1,0,0,0,0|1,1,0]=4 2915 B10R1.2 CSc1cccc(c1F)F 62a_100000694657_200000210301 [1,1,0,0,0,0|1,1,0]=4 2916 B10R1.2 CSc1cccc(c1F)F 62a_200000210301_100000694657 [1,1,0,0,0,0|1,1,0]=4 2917 B10R1.2 CSc1cccc(c1F)N 62a_100011935091_200000210301 [1,1,0,0,0,0|1,1,0]=4 2918 B10R1.2 CSc1cccc(c1F)N 62a_200000210301_100011935091 [1,1,0,0,0,0|1,1,0]=4 2919 B10R1.2 CSc1cccc(c1F)O 62a_100009817021_200000210301 [1,1,0,0,0,0|0,1,0]=3 2920 B10R1.2 CSc1cccc(c1F)O 62a_200000210301_100009817021 [1,1,0,0,0,0|0,1,0]=3 2921 B10R1.2 CSc1cccc(c1N)Br 62a_100010146558_200000210301 [1,1,0,0,0,0|1,1,0]=4 2922 B10R1.2 CSc1cccc(c1N)Br 62a_200000210301_100010146558 [1,1,0,0,0,0|1,1,0]=4 2923 B10R1.2 CSc1cccc(c1N)C 62a_100011834072_200000210301 [1,1,0,0,0,0|0,1,0]=3 2924 B10R1.2 CSc1cccc(c1N)C 62a_200000210301_100011834072 [1,1,0,0,0,0|0,1,0]=3 2925 B10R1.2 CSc1cccc(c1N)Cl 62a_100010190421_200000210301 [1,1,0,0,0,0|1,1,0]=4 2926 B10R1.2 CSc1cccc(c1N)Cl 62a_200000210301_100010190421 [1,1,0,0,0,0|1,1,0]=4 2927 B10R1.2 CSc1cccc(c1N)F 62a_100000042321_200000210301 [1,1,0,0,0,0|1,1,0]=4 2928 B10R1.2 CSc1cccc(c1N)F 62a_200000210301_100000042321 [1,1,0,0,0,0|1,1,0]=4 2929 B10R1.2 CSc1cccc(c1N)N 62a_100015191791_200000210301 [1,1,0,0,0,0|1,1,0]=4 2930 B10R1.2 CSc1cccc(c1N)O 62a_200000210301_100011934926 [1,1,0,0,0,0|0,1,0]=3 2931 B10R1.2 CSc1cccc(c1O)Br 62a_100010084509_200000210301 [1,1,0,0,0,0|1,1,0]=4 2932 B10R1.2 CSc1cccc(c1O)Br 62a_200000210301_100010084509 [1,1,0,0,0,0|1,1,0]=4 2933 B10R1.2 CSc1cccc(c1O)C 62a_100009817157_200000210301 [1,1,0,0,0,0|0,1,0]=3 2934 B10R1.2 CSc1cccc(c1O)C 62a_200000210301_100009817157 [1,1,0,0,0,0|0,1,0]=3 2935 B10R1.2 CSc1cccc(c1O)Cl 62a_100010202889_200000210301 [1,1,0,0,0,0|1,1,0]=4 2936 B10R1.2 CSc1cccc(c1O)Cl 62a_200000210301_100010202889 [1,1,0,0,0,0|1,1,0]=4 2937 B10R1.2 CSc1cccc(c1O)F 62a_100009813666_200000210301 [1,1,0,0,0,0|1,1,0]=4 2938 B10R1.2 CSc1cccc(c1O)F 62a_200000210301_100009813666 [1,1,0,0,0,0|1,1,0]=4 2939 B10R1.2 CSc1cccc(c1O)N 62a_100011934915_200000210301 [1,1,0,0,0,0|1,1,0]=4 2940 B10R1.2 CSc1cccc(c1O)N 62a_200000210301_100010084371 [1,1,0,0,0,0|1,1,0]=4 2941 B10R1.2 CSc1cccc(c1O)O 62a_200000210301_100009815950 [1,1,0,0,0,0|0,1,0]=3 2942 B10R1.2 CSc1cccn(c1=O)C 62a_100000687173_200000210301 [1,1,0,0,0,0|1,1,0]=4 2943 B10R1.2 CSc1cccn(c1=O)C 62a_200000210301_100000687173 [1,1,0,0,0,0|1,1,0]=4 2944 B10R1.2 CSc1ccnc(c1C)C 62a_100009846815_200000210301 [1,1,0,0,0,0|1,1,0]=4 2945 B10R1.2 CSc1ccnc(c1C)C 62a_200000210301_100009846815 [1,1,0,0,0,0|1,1,0]=4 2946 B10R1.2 CSc1ccnc(c1C)O 62a_100009858498_200000210301 [1,1,0,0,0,0|1,1,0]=4 2947 B10R1.2 CSc1ccnc(c1C)O 62a_200000210301_100009858498 [1,1,0,0,0,0|1,1,0]=4 2948 B10R1.2 CSc1ccnc(c1Cl)C 62a_100000698670_200000210301 [1,1,0,0,0,0|1,1,0]=4 2949 B10R1.2 CSc1ccnc(c1Cl)C 62a_200000210301_100000698670 [1,1,0,0,0,0|1,1,0]=4 2950 B10R1.2 CSc1ccnc(c1F)C 62a_100009849794_200000210301 [1,1,0,0,0,0|1,1,0]=4 2951 B10R1.2 CSc1ccnc(c1F)C 62a_200000210301_100009849794 [1,1,0,0,0,0|1,1,0]=4 2952 B10R1.2 CSc1ccnc(c1F)O 271570a_203496583355_200021123860 [1,1,0,0,0,0|1,1,0]=4 2953 B10R1.2 CSc1ccnc(c1N)C 62a_100009885578_200000210301 [1,1,0,0,0,0|1,1,0]=4 2954 B10R1.2 CSc1ccnc(c1N)C 62a_200000210301_100009885578 [1,1,0,0,0,0|1,1,0]=4 2955 B10R1.2 CSc1cncc(c1C)C 62a_100009864703_200000210301 [1,1,0,0,0,0|1,1,0]=4 2956 B10R1.2 CSc1cncc(c1C)C 62a_200000210301_100009864703 [1,1,0,0,0,0|1,1,0]=4 2957 B10R1.2 CSc1cncc(c1N)C 62a_100009818025_200000210301 [1,1,0,0,0,0|1,1,0]=4 2958 B10R1.2 CSc1cncc(c1N)C 62a_200000210301_100009818025 [1,1,0,0,0,0|1,1,0]=4 2959 B10R1.2 CSc1nccc(c1C)C 62a_100009847204_200000210301 [1,1,0,0,0,0|1,1,0]=4 2960 B10R1.2 CSc1nccc(c1C)C 62a_200000210301_100009847204 [1,1,0,0,0,0|1,1,0]=4 2961 B10R1.2 CSc1nccc(c1F)C 62a_100009817629_200000210301 [1,1,0,0,0,0|1,1,0]=4 2962 B10R1.2 CSc1nccc(c1F)C 62a_200000210301_100009817629 [1,1,0,0,0,0|1,1,0]=4 2963 B10R1.2 CSc1nccc(c1F)O 62a_100009876375_200000210301 [1,1,0,0,0,0|1,1,0]=4 2964 B10R1.2 CSc1nccc(c1F)O 62a_200000210301_100009876375 [1,1,0,0,0,0|1,1,0]=4 2965 B10R1.2 CSc1nccc(c1N)C 62a_100000763560_200000210301 [1,1,0,0,0,0|1,1,0]=4 2966 B10R1.2 CSc1nccc(c1N)C 62a_200000210301_100000763560 [1,1,0,0,0,0|1,1,0]=4 2967 B10R1.2 CSc1nccc(c1O)C 62a_200000210301_100000696282 [1,1,0,0,0,0|1,1,0]=4 2968 B10R1.2 Cc1c(cccc1C#N)O 271570a_203496583355_100000721996 [1,1,0,0,0,0|2,0,0]=4 2969 B10R1.2 Cc1c(cccc1C=O)O 271570a_203496583355_100012179384 [1,1,0,0,0,0|2,0,0]=4 2970 B10R1.2 Cc1c(cccc1CN)O 271570a_203496583355_100000724210 [1,1,0,0,0,0|2,0,0]=4 2971 B10R1.2 Cc1c(cccc1CO)O 271570a_203496583355_100000694458 [1,1,0,0,0,0|2,0,0]=4 2972 B10R1.2 Cc1c(cccc1N[13CH3])Br 34a_100000750434_200025704644 [1,1,0,0,0,0|2,0,0]=4 2973 B10R1.2 Cc1c(cccc1N[13CH3])Cl 2230a_100000210441_200025704644 [1,1,0,0,0,0|2,0,0]=4 2974 B10R1.2 Cc1c(cccc1N[13CH3])Cl 34a_100000210441_200025704644 [1,1,0,0,0,0|2,0,0]=4 2975 B10R1.2 Cc1c(cccc1N[13CH3])Cl 7a_100000210441_200025704644 [1,1,0,0,0,0|2,0,0]=4 2976 B10R1.2 Cc1c(cccc1N[13CH3])F 34a_100000745574_200025704644 [1,1,0,0,0,0|2,0,0]=4 2977 B10R1.2 Cc1c(cccc1N[13CH3])F 7a_100000745574_200025704644 [1,1,0,0,0,0|2,0,0]=4 2978 B10R1.2 Cc1c(cccc1N[13CH3])I 34a_100000761887_200025704644 [1,1,0,0,0,0|2,0,0]=4 2979 B10R1.2 Cc1c(cccc1N[13CH3])O 34a_100011216573_200025704644 [1,1,0,0,0,0|1,0,0]=3 2980 B10R1.2 Cc1c(cccc1N[13CH3])O 7a_100011216573_200025704644 [1,1,0,0,0,0|1,0,0]=3 2981 B10R1.2 Cc1c(cccc1O[13CH3])Br 34a_100012002258_200025704644 [1,1,0,0,0,0|1,0,0]=3 2982 B10R1.2 Cc1c(cccc1O[13CH3])Br 7a_100012002258_200025704644 [1,1,0,0,0,0|1,0,0]=3 2983 B10R1.2 Cc1c(cccc1O[13CH3])Cl 34a_100011265684_200025704644 [1,1,0,0,0,0|1,0,0]=3 2984 B10R1.2 Cc1c(cccc1O[13CH3])Cl 7a_100011265684_200025704644 [1,1,0,0,0,0|1,0,0]=3 2985 B10R1.2 Cc1c(cccc1O[13CH3])F 34a_100011217231_200025704644 [1,1,0,0,0,0|1,0,0]=3 2986 B10R1.2 Cc1c(cccc1O[13CH3])F 7a_100011217231_200025704644 [1,1,0,0,0,0|1,0,0]=3 2987 B10R1.2 Cc1c(cccc1O[13CH3])N 34a_100011216573_200025704644 [1,1,0,0,0,0|1,0,0]=3 2988 B10R1.2 Cc1c(cccc1O[13CH3])N 7a_100011216573_200025704644 [1,1,0,0,0,0|1,0,0]=3 2989 B10R1.2 Cc1c(cccc1S[13CH3])Br 62a_100012353703_200025704644 [1,1,0,0,0,0|1,1,0]=4 2990 B10R1.2 Cc1c(cccc1S[13CH3])Br 62a_200025704644_100012353703 [1,1,0,0,0,0|1,1,0]=4 2991 B10R1.2 Cc1c(cccc1S[13CH3])Cl 62a_100000726075_200025704644 [1,1,0,0,0,0|1,1,0]=4 2992 B10R1.2 Cc1c(cccc1S[13CH3])Cl 62a_200025704644_100000726075 [1,1,0,0,0,0|1,1,0]=4 2993 B10R1.2 Cc1c(cccc1S[13CH3])F 62a_100011216893_200025704644 [1,1,0,0,0,0|1,1,0]=4 2994 B10R1.2 Cc1c(cccc1S[13CH3])F 62a_200025704644_100011216893 [1,1,0,0,0,0|1,1,0]=4 2995 B10R1.2 Cc1c(cccc1S[13CH3])N 62a_100000761887_200025704644 [1,1,0,0,0,0|1,1,0]=4 2996 B10R1.2 Cc1c(cccc1S[13CH3])N 62a_200025704644_100000761887 [1,1,0,0,0,0|1,1,0]=4 2997 B10R1.2 Cc1c(cccc1S[13CH3])O 62a_100012002258_200025704644 [1,1,0,0,0,0|0,1,0]=3 2998 B10R1.2 Cc1c(cccc1S[13CH3])O 62a_200025704644_100012002258 [1,1,0,0,0,0|0,1,0]=3 2999 B10R1.2 Cc1c(ccnc1O)S[13CH3] 62a_100009858498_200025704644 [1,1,0,0,0,0|1,1,0]=4 3000 B10R1.2 Cc1c(ccnc1O)S[13CH3] 62a_200025704644_100009858498 [1,1,0,0,0,0|1,1,0]=4 3001 B10R1.2 Cc1c(ccnc1O[13CH3])Br 34a_100009858498_200025704644 [1,1,0,0,0,0|2,0,0]=4 3002 B10R1.2 Cc1cccc(c1Br)N[13CH3] 34a_100000684715_200025704644 [1,1,0,0,0,0|1,0,0]=3 3003 B10R1.2 Cc1cccc(c1Br)O[13CH3] 34a_100000686692_200025704644 [1,1,0,0,0,0|0,0,0]=2 3004 B10R1.2 Cc1cccc(c1Br)O[13CH3] 7a_100000686692_200025704644 [1,1,0,0,0,0|0,0,0]=2 3005 B10R1.2 Cc1cccc(c1Br)S[13CH3] 62a_100012362457_200025704644 [1,1,0,0,0,0|0,1,0]=3 3006 B10R1.2 Cc1cccc(c1Br)S[13CH3] 62a_200025704644_100012362457 [1,1,0,0,0,0|0,1,0]=3 3007 B10R1.2 Cc1cccc(c1C)N[13CH3] 2230a_100000210026_200025704644 [1,1,0,0,0,0|1,0,0]=3 3008 B10R1.2 Cc1cccc(c1C)N[13CH3] 34a_100000210026_200025704644 [1,1,0,0,0,0|1,0,0]=3 3009 B10R1.2 Cc1cccc(c1C)N[13CH3] 7a_100000210026_200025704644 [1,1,0,0,0,0|1,0,0]=3 3010 B10R1.2 Cc1cccc(c1C)O[13CH3] 34a_100000185855_200025704644 [1,1,0,0,0,0|0,0,0]=2 3011 B10R1.2 Cc1cccc(c1C)O[13CH3] 7a_100000185855_200025704644 [1,1,0,0,0,0|0,0,0]=2 3012 B10R1.2 Cc1cccc(c1C)S[13CH3] 62a_100011214922_200025704644 [1,1,0,0,0,0|0,1,0]=3 3013 B10R1.2 Cc1cccc(c1C)S[13CH3] 62a_200025704644_100011214922 [1,1,0,0,0,0|0,1,0]=3 3014 B10R1.2 Cc1cccc(c1Cl)N[13CH3] 34a_100000765562_200025704644 [1,1,0,0,0,0|1,0,0]=3 3015 B10R1.2 Cc1cccc(c1Cl)N[13CH3] 7a_100000765562_200025704644 [1,1,0,0,0,0|1,0,0]=3 3016 B10R1.2 Cc1cccc(c1Cl)O[13CH3] 34a_100000695629_200025704644 [1,1,0,0,0,0|0,0,0]=2 3017 B10R1.2 Cc1cccc(c1Cl)O[13CH3] 7a_100000695629_200025704644 [1,1,0,0,0,0|0,0,0]=2 3018 B10R1.2 Cc1cccc(c1Cl)S[13CH3] 62a_200012352035_200025704644 [1,1,0,0,0,0|0,1,0]=3 3019 B10R1.2 Cc1cccc(c1Cl)S[13CH3] 62a_200025704644_200012352035 [1,1,0,0,0,0|0,1,0]=3 3020 B10R1.2 Cc1cccc(c1F)N[13CH3] 2230a_100000697159_200025704644 [1,1,0,0,0,0|1,0,0]=3 3021 B10R1.2 Cc1cccc(c1F)N[13CH3] 34a_100000697159_200025704644 [1,1,0,0,0,0|1,0,0]=3 3022 B10R1.2 Cc1cccc(c1F)N[13CH3] 7a_100000697159_200025704644 [1,1,0,0,0,0|1,0,0]=3 3023 B10R1.2 Cc1cccc(c1F)O[13CH3] 34a_100000751311_200025704644 [1,1,0,0,0,0|0,0,0]=2 3024 B10R1.2 Cc1cccc(c1F)O[13CH3] 7a_100000751311_200025704644 [1,1,0,0,0,0|0,0,0]=2 3025 B10R1.2 Cc1cccc(c1F)S[13CH3] 62a_100000717567_200025704644 [1,1,0,0,0,0|0,1,0]=3 3026 B10R1.2 Cc1cccc(c1F)S[13CH3] 62a_200025704644_100000717567 [1,1,0,0,0,0|0,1,0]=3 3027 B10R1.2 Cc1cccc(c1I)N[13CH3] 34a_100000761888_200025704644 [1,1,0,0,0,0|1,0,0]=3 3028 B10R1.2 Cc1cccc(c1I)O[13CH3] 34a_100010083724_200025704644 [1,1,0,0,0,0|0,0,0]=2 3029 B10R1.2 Cc1cccc(c1I)O[13CH3] 7a_100010083724_200025704644 [1,1,0,0,0,0|0,0,0]=2 3030 B10R1.2 Cc1cccc(c1N)O[13CH3] 34a_100000743429_200025704644 [1,1,0,0,0,0|0,0,0]=2 3031 B10R1.2 Cc1cccc(c1N)O[13CH3] 7a_100000743429_200025704644 [1,1,0,0,0,0|0,0,0]=2 3032 B10R1.2 Cc1cccc(c1N)S[13CH3] 62a_100011834072_200025704644 [1,1,0,0,0,0|0,1,0]=3 3033 B10R1.2 Cc1cccc(c1N)S[13CH3] 62a_200025704644_100011834072 [1,1,0,0,0,0|0,1,0]=3 3034 B10R1.2 Cc1cccc(c1O)C#N 271570a_203496583355_100011934862 [1,1,0,0,0,0|2,0,0]=4 3035 B10R1.2 Cc1cccc(c1O)CO 271570a_203496583355_100011659289 [1,1,0,0,0,0|2,0,0]=4 3036 B10R1.2 Cc1cccc(c1O)N[13CH3] 34a_100000756359_200025704644 [1,1,0,0,0,0|1,0,0]=3 3037 B10R1.2 Cc1cccc(c1O)S[13CH3] 62a_100009817157_200025704644 [1,1,0,0,0,0|0,1,0]=3 3038 B10R1.2 Cc1cccc(c1O)S[13CH3] 62a_200025704644_100009817157 [1,1,0,0,0,0|0,1,0]=3 3039 B10R1.2 Cc1ccnc(c1Br)O[13CH3] 34a_100012000493_200025704644 [1,1,0,0,0,0|1,0,0]=3 3040 B10R1.2 Cc1ccnc(c1C)S[13CH3] 62a_100009847204_200025704644 [1,1,0,0,0,0|1,1,0]=4 3041 B10R1.2 Cc1ccnc(c1C)S[13CH3] 62a_200025704644_100009847204 [1,1,0,0,0,0|1,1,0]=4 3042 B10R1.2 Cc1ccnc(c1F)S[13CH3] 62a_100009817629_200025704644 [1,1,0,0,0,0|1,1,0]=4 3043 B10R1.2 Cc1ccnc(c1F)S[13CH3] 62a_200025704644_100009817629 [1,1,0,0,0,0|1,1,0]=4 3044 B10R1.2 Cc1ccnc(c1N)S[13CH3] 62a_100000763560_200025704644 [1,1,0,0,0,0|1,1,0]=4 3045 B10R1.2 Cc1ccnc(c1N)S[13CH3] 62a_200025704644_100000763560 [1,1,0,0,0,0|1,1,0]=4 3046 B10R1.2 Cc1ccnc(c1O)S[13CH3] 62a_200025704644_100000696282 [1,1,0,0,0,0|1,1,0]=4 3047 B10R1.2 Cc1cncc(c1C)S[13CH3] 62a_100009864703_200025704644 [1,1,0,0,0,0|1,1,0]=4 3048 B10R1.2 Cc1cncc(c1C)S[13CH3] 62a_200025704644_100009864703 [1,1,0,0,0,0|1,1,0]=4 3049 B10R1.2 Cc1cncc(c1N)S[13CH3] 62a_100009818025_200025704644 [1,1,0,0,0,0|1,1,0]=4 3050 B10R1.2 Cc1cncc(c1N)S[13CH3] 62a_200025704644_100009818025 [1,1,0,0,0,0|1,1,0]=4 3051 B10R1.2 Cc1nccc(c1C)S[13CH3] 62a_100009846815_200025704644 [1,1,0,0,0,0|1,1,0]=4 3052 B10R1.2 Cc1nccc(c1C)S[13CH3] 62a_200025704644_100009846815 [1,1,0,0,0,0|1,1,0]=4 3053 B10R1.2 Cc1nccc(c1Cl)S[13CH3] 62a_100000698670_200025704644 [1,1,0,0,0,0|1,1,0]=4 3054 B10R1.2 Cc1nccc(c1Cl)S[13CH3] 62a_200025704644_100000698670 [1,1,0,0,0,0|1,1,0]=4 3055 B10R1.2 Cc1nccc(c1F)S[13CH3] 62a_100009849794_200025704644 [1,1,0,0,0,0|1,1,0]=4 3056 B10R1.2 Cc1nccc(c1F)S[13CH3] 62a_200025704644_100009849794 [1,1,0,0,0,0|1,1,0]=4 3057 B10R1.2 Cc1nccc(c1N)S[13CH3] 62a_100009885578_200025704644 [1,1,0,0,0,0|1,1,0]=4 3058 B10R1.2 Cc1nccc(c1N)S[13CH3] 62a_200025704644_100009885578 [1,1,0,0,0,0|1,1,0]=4 3059 B10R1.2 Cc1ncnc(c1C)O[13CH3] 34a_100000697798_200025704644 [1,1,0,0,0,0|2,0,0]=4 3060 B10R1.2 Cn1cccc(c1=O)O[13CH3] 34a_100000117616_200025704644 [1,1,0,0,0,0|1,0,0]=3 3061 B10R1.2 Cn1cccc(c1=O)O[13CH3] 7a_100000117616_200025704644 [1,1,0,0,0,0|1,0,0]=3 3062 B10R1.2 Cn1cccc(c1=O)S[13CH3] 62a_100000687173_200025704644 [1,1,0,0,0,0|1,1,0]=4 3063 B10R1.2 Cn1cccc(c1=O)S[13CH3] 62a_200025704644_100000687173 [1,1,0,0,0,0|1,1,0]=4 3064 B10R1.2 N#Cc1cccc(c1F)O 271570a_203496583355_100011934600 [1,1,0,0,0,0|2,0,0]=4 3065 B10R1.2 N#Cc1cccc(c1N)O 271570a_203496583355_100000690598 [1,1,0,0,0,0|2,0,0]=4 3066 B10R1.2 N#Cc1cccc(c1O)O 271570a_203496583355_100009817103 [1,1,0,0,0,0|2,0,0]=4 3067 B10R1.2 N#Cc1cccc(c1O)O 271570a_203496583355_100009818990 [1,1,0,0,0,0|2,0,0]=4 3068 B10R1.2 NCc1cccc(c1F)O 271570a_203496583355_100015189953 [1,1,0,0,0,0|2,0,0]=4 3069 B10R1.2 Nc1c(cccc1C=O)O 271570a_203496583355_100010144990 [1,1,0,0,0,0|2,0,0]=4 3070 B10R1.2 Nc1c(cccc1CO)O 271570a_203496583355_100012349457 [1,1,0,0,0,0|2,0,0]=4 3071 B10R1.2 O=Cc1cccc(c1F)O 271570a_203496583355_100000766533 [1,1,0,0,0,0|2,0,0]=4 3072 B10R1.2 O=Cc1cccc(c1O)O 271570a_203496583355_100000737635 [1,1,0,0,0,0|2,0,0]=4 3073 B10R1.2 O=Cc1cccc(c1O)O 271570a_203496583355_100009816417 [1,1,0,0,0,0|2,0,0]=4 3074 B10R1.2 OCc1cccc(c1Br)O 271570a_203496583355_100010240205 [1,1,0,0,0,0|2,0,0]=4 3075 B10R1.2 OCc1cccc(c1F)O 271570a_203496583355_100011935076 [1,1,0,0,0,0|2,0,0]=4 3076 B10R1.2 [13CH3]Nc1cccc(c1Br)Cl 34a_100000687072_200025704644 [1,1,0,0,0,0|2,0,0]=4 3077 B10R1.2 [13CH3]Nc1cccc(c1Br)F 34a_100011934729_200025704644 [1,1,0,0,0,0|2,0,0]=4 3078 B10R1.2 [13CH3]Nc1cccc(c1Br)O 34a_100012183704_200025704644 [1,1,0,0,0,0|1,0,0]=3 3079 B10R1.2 [13CH3]Nc1cccc(c1Br)O 7a_100012183704_200025704644 [1,1,0,0,0,0|1,0,0]=3 3080 B10R1.2 [13CH3]Nc1cccc(c1Cl)Br 34a_100000687075_200025704644 [1,1,0,0,0,0|2,0,0]=4 3081 B10R1.2 [13CH3]Nc1cccc(c1Cl)Cl 34a_100000185733_200025704644 [1,1,0,0,0,0|2,0,0]=4 3082 B10R1.2 [13CH3]Nc1cccc(c1Cl)F 34a_100000692321_200025704644 [1,1,0,0,0,0|2,0,0]=4 3083 B10R1.2 [13CH3]Nc1cccc(c1Cl)O 34a_100012002038_200025704644 [1,1,0,0,0,0|1,0,0]=3 3084 B10R1.2 [13CH3]Nc1cccc(c1Cl)O 7a_100012002038_200025704644 [1,1,0,0,0,0|1,0,0]=3 3085 B10R1.2 [13CH3]Nc1cccc(c1F)Br 2230a_100011935091_200025704644 [1,1,0,0,0,0|2,0,0]=4 3086 B10R1.2 [13CH3]Nc1cccc(c1F)Br 34a_100011935091_200025704644 [1,1,0,0,0,0|2,0,0]=4 3087 B10R1.2 [13CH3]Nc1cccc(c1F)Cl 2230a_100000199060_200025704644 [1,1,0,0,0,0|2,0,0]=4 3088 B10R1.2 [13CH3]Nc1cccc(c1F)Cl 34a_100000199060_200025704644 [1,1,0,0,0,0|2,0,0]=4 3089 B10R1.2 [13CH3]Nc1cccc(c1F)F 34a_100000743855_200025704644 [1,1,0,0,0,0|2,0,0]=4 3090 B10R1.2 [13CH3]Nc1cccc(c1I)Br 34a_100020590159_200025704644 [1,1,0,0,0,0|2,0,0]=4 3091 B10R1.2 [13CH3]Nc1cccc(c1I)Cl 34a_100000049713_200025704644 [1,1,0,0,0,0|2,0,0]=4 3092 B10R1.2 [13CH3]Nc1cccc(c1I)F 34a_100000690935_200025704644 [1,1,0,0,0,0|2,0,0]=4 3093 B10R1.2 [13CH3]Nc1cccc(c1O)Br 34a_100011934915_200025704644 [1,1,0,0,0,0|2,0,0]=4 3094 B10R1.2 [13CH3]Nc1cccc(c1O)Cl 34a_100000754742_200025704644 [1,1,0,0,0,0|2,0,0]=4 3095 B10R1.2 [13CH3]Nc1cccc(c1O)F 34a_100011934987_200025704644 [1,1,0,0,0,0|2,0,0]=4 3096 B10R1.2 [13CH3]Oc1cccc(c1Br)Br 34a_100010187966_200025704644 [1,1,0,0,0,0|1,0,0]=3 3097 B10R1.2 [13CH3]Oc1cccc(c1Br)Br 7a_100010187966_200025704644 [1,1,0,0,0,0|1,0,0]=3 3098 B10R1.2 [13CH3]Oc1cccc(c1Br)Cl 34a_100012348804_200025704644 [1,1,0,0,0,0|1,0,0]=3 3099 B10R1.2 [13CH3]Oc1cccc(c1Br)Cl 7a_100012348804_200025704644 [1,1,0,0,0,0|1,0,0]=3 3100 B10R1.2 [13CH3]Oc1cccc(c1Br)F 34a_100009820682_200025704644 [1,1,0,0,0,0|1,0,0]=3 3101 B10R1.2 [13CH3]Oc1cccc(c1Br)F 7a_100009820682_200025704644 [1,1,0,0,0,0|1,0,0]=3 3102 B10R1.2 [13CH3]Oc1cccc(c1Br)I 34a_100010187914_200025704644 [1,1,0,0,0,0|1,0,0]=3 3103 B10R1.2 [13CH3]Oc1cccc(c1Br)I 7a_100010187914_200025704644 [1,1,0,0,0,0|1,0,0]=3 3104 B10R1.2 [13CH3]Oc1cccc(c1Br)N 34a_100012183704_200025704644 [1,1,0,0,0,0|1,0,0]=3 3105 B10R1.2 [13CH3]Oc1cccc(c1Br)N 7a_100012183704_200025704644 [1,1,0,0,0,0|1,0,0]=3 3106 B10R1.2 [13CH3]Oc1cccc(c1Cl)Br 34a_100010187913_200025704644 [1,1,0,0,0,0|1,0,0]=3 3107 B10R1.2 [13CH3]Oc1cccc(c1Cl)Br 7a_100010187913_200025704644 [1,1,0,0,0,0|1,0,0]=3 3108 B10R1.2 [13CH3]Oc1cccc(c1Cl)Cl 34a_100000211076_200025704644 [1,1,0,0,0,0|1,0,0]=3 3109 B10R1.2 [13CH3]Oc1cccc(c1Cl)Cl 7a_100000211076_200025704644 [1,1,0,0,0,0|1,0,0]=3 3110 B10R1.2 [13CH3]Oc1cccc(c1Cl)F 34a_100000087408_200025704644 [1,1,0,0,0,0|1,0,0]=3 3111 B10R1.2 [13CH3]Oc1cccc(c1Cl)F 7a_100000087408_200025704644 [1,1,0,0,0,0|1,0,0]=3 3112 B10R1.2 [13CH3]Oc1cccc(c1Cl)I 34a_100000049636_200025704644 [1,1,0,0,0,0|1,0,0]=3 3113 B10R1.2 [13CH3]Oc1cccc(c1Cl)I 7a_100000049636_200025704644 [1,1,0,0,0,0|1,0,0]=3 3114 B10R1.2 [13CH3]Oc1cccc(c1Cl)N 34a_100012002038_200025704644 [1,1,0,0,0,0|1,0,0]=3 3115 B10R1.2 [13CH3]Oc1cccc(c1Cl)N 7a_100012002038_200025704644 [1,1,0,0,0,0|1,0,0]=3 3116 B10R1.2 [13CH3]Oc1cccc(c1F)Br 34a_100009817021_200025704644 [1,1,0,0,0,0|1,0,0]=3 3117 B10R1.2 [13CH3]Oc1cccc(c1F)Br 7a_100009817021_200025704644 [1,1,0,0,0,0|1,0,0]=3 3118 B10R1.2 [13CH3]Oc1cccc(c1F)Cl 34a_100000687438_200025704644 [1,1,0,0,0,0|1,0,0]=3 3119 B10R1.2 [13CH3]Oc1cccc(c1F)Cl 7a_100000687438_200025704644 [1,1,0,0,0,0|1,0,0]=3 3120 B10R1.2 [13CH3]Oc1cccc(c1F)F 34a_100000751161_200025704644 [1,1,0,0,0,0|1,0,0]=3 3121 B10R1.2 [13CH3]Oc1cccc(c1F)F 7a_100000751161_200025704644 [1,1,0,0,0,0|1,0,0]=3 3122 B10R1.2 [13CH3]Oc1cccc(c1I)Br 34a_100010187912_200025704644 [1,1,0,0,0,0|1,0,0]=3 3123 B10R1.2 [13CH3]Oc1cccc(c1I)Br 7a_100010187912_200025704644 [1,1,0,0,0,0|1,0,0]=3 3124 B10R1.2 [13CH3]Oc1cccc(c1I)Cl 34a_100000050174_200025704644 [1,1,0,0,0,0|1,0,0]=3 3125 B10R1.2 [13CH3]Oc1cccc(c1I)Cl 7a_100000050174_200025704644 [1,1,0,0,0,0|1,0,0]=3 3126 B10R1.2 [13CH3]Oc1cccc(c1I)F 34a_100000690913_200025704644 [1,1,0,0,0,0|1,0,0]=3 3127 B10R1.2 [13CH3]Oc1cccc(c1I)F 7a_100000690913_200025704644 [1,1,0,0,0,0|1,0,0]=3 3128 B10R1.2 [13CH3]Oc1cccc(c1N)Br 34a_100011934926_200025704644 [1,1,0,0,0,0|1,0,0]=3 3129 B10R1.2 [13CH3]Oc1cccc(c1N)Br 7a_100011934926_200025704644 [1,1,0,0,0,0|1,0,0]=3 3130 B10R1.2 [13CH3]Oc1cccc(c1N)Cl 34a_100012022510_200025704644 [1,1,0,0,0,0|1,0,0]=3 3131 B10R1.2 [13CH3]Oc1cccc(c1N)Cl 7a_100012022510_200025704644 [1,1,0,0,0,0|1,0,0]=3 3132 B10R1.2 [13CH3]Oc1cccc(c1N)F 34a_100020591140_200025704644 [1,1,0,0,0,0|1,0,0]=3 3133 B10R1.2 [13CH3]Oc1cccc(c1N)F 7a_100020591140_200025704644 [1,1,0,0,0,0|1,0,0]=3 3134 B10R1.2 [13CH3]Oc1cccc(c1N)I 34a_200000049512_200025704644 [1,1,0,0,0,0|1,0,0]=3 3135 B10R1.2 [13CH3]Oc1cccc(c1N)I 7a_200000049512_200025704644 [1,1,0,0,0,0|1,0,0]=3 3136 B10R1.2 [13CH3]Oc1cccc(c1N)N 34a_100000033209_200025704644 [1,1,0,0,0,0|1,0,0]=3 3137 B10R1.2 [13CH3]Oc1ccnc(c1Br)Cl 34a_100010136240_200025704644 [1,1,0,0,0,0|2,0,0]=4 3138 B10R1.2 [13CH3]Oc1ccnc(c1Cl)Cl 34a_100009860235_200025704644 [1,1,0,0,0,0|2,0,0]=4 3139 B10R1.2 [13CH3]Oc1ccnc(c1F)Br 34a_100009876375_200025704644 [1,1,0,0,0,0|2,0,0]=4 3140 B10R1.2 [13CH3]Oc1ccnc(c1F)Cl 34a_100009856406_200025704644 [1,1,0,0,0,0|2,0,0]=4 3141 B10R1.2 [13CH3]Oc1ccnc(c1N)Cl 34a_100000128729_200025704644 [1,1,0,0,0,0|2,0,0]=4 3142 B10R1.2 [13CH3]Oc1nccc(c1Cl)N 34a_200000093555_200025704644 [1,1,0,0,0,0|2,0,0]=4 3143 B10R1.2 [13CH3]Sc1cccc(c1Br)Br 62a_100010175083_200025704644 [1,1,0,0,0,0|1,1,0]=4 3144 B10R1.2 [13CH3]Sc1cccc(c1Br)Br 62a_200025704644_100010175083 [1,1,0,0,0,0|1,1,0]=4 3145 B10R1.2 [13CH3]Sc1cccc(c1Br)Cl 62a_100014021842_200025704644 [1,1,0,0,0,0|1,1,0]=4 3146 B10R1.2 [13CH3]Sc1cccc(c1Br)Cl 62a_200025704644_100014021842 [1,1,0,0,0,0|1,1,0]=4 3147 B10R1.2 [13CH3]Sc1cccc(c1Br)F 62a_100010202630_200025704644 [1,1,0,0,0,0|1,1,0]=4 3148 B10R1.2 [13CH3]Sc1cccc(c1Br)F 62a_200025704644_100010202630 [1,1,0,0,0,0|1,1,0]=4 3149 B10R1.2 [13CH3]Sc1cccc(c1Br)O 62a_100010187914_200025704644 [1,1,0,0,0,0|0,1,0]=3 3150 B10R1.2 [13CH3]Sc1cccc(c1Br)O 62a_200025704644_100010187914 [1,1,0,0,0,0|0,1,0]=3 3151 B10R1.2 [13CH3]Sc1cccc(c1Cl)Br 62a_100010142854_200025704644 [1,1,0,0,0,0|1,1,0]=4 3152 B10R1.2 [13CH3]Sc1cccc(c1Cl)Br 62a_200025704644_100010142854 [1,1,0,0,0,0|1,1,0]=4 3153 B10R1.2 [13CH3]Sc1cccc(c1Cl)Cl 62a_100011215384_200025704644 [1,1,0,0,0,0|1,1,0]=4 3154 B10R1.2 [13CH3]Sc1cccc(c1Cl)Cl 62a_200025704644_100011215384 [1,1,0,0,0,0|1,1,0]=4 3155 B10R1.2 [13CH3]Sc1cccc(c1Cl)F 62a_200010234923_200025704644 [1,1,0,0,0,0|1,1,0]=4 3156 B10R1.2 [13CH3]Sc1cccc(c1Cl)F 62a_200025704644_200010234923 [1,1,0,0,0,0|1,1,0]=4 3157 B10R1.2 [13CH3]Sc1cccc(c1Cl)O 62a_200025704644_100000049636 [1,1,0,0,0,0|0,1,0]=3 3158 B10R1.2 [13CH3]Sc1cccc(c1F)Br 62a_100000702267_200025704644 [1,1,0,0,0,0|1,1,0]=4 3159 B10R1.2 [13CH3]Sc1cccc(c1F)Br 62a_200025704644_100000702267 [1,1,0,0,0,0|1,1,0]=4 3160 B10R1.2 [13CH3]Sc1cccc(c1F)Cl 62a_100011217346_200025704644 [1,1,0,0,0,0|1,1,0]=4 3161 B10R1.2 [13CH3]Sc1cccc(c1F)Cl 62a_200025704644_100011217346 [1,1,0,0,0,0|1,1,0]=4 3162 B10R1.2 [13CH3]Sc1cccc(c1F)F 62a_100000694657_200025704644 [1,1,0,0,0,0|1,1,0]=4 3163 B10R1.2 [13CH3]Sc1cccc(c1F)F 62a_200025704644_100000694657 [1,1,0,0,0,0|1,1,0]=4 3164 B10R1.2 [13CH3]Sc1cccc(c1F)N 62a_100011935091_200025704644 [1,1,0,0,0,0|1,1,0]=4 3165 B10R1.2 [13CH3]Sc1cccc(c1F)N 62a_200025704644_100011935091 [1,1,0,0,0,0|1,1,0]=4 3166 B10R1.2 [13CH3]Sc1cccc(c1F)O 62a_100009817021_200025704644 [1,1,0,0,0,0|0,1,0]=3 3167 B10R1.2 [13CH3]Sc1cccc(c1F)O 62a_200025704644_100009817021 [1,1,0,0,0,0|0,1,0]=3 3168 B10R1.2 [13CH3]Sc1cccc(c1N)Br 62a_100010146558_200025704644 [1,1,0,0,0,0|1,1,0]=4 3169 B10R1.2 [13CH3]Sc1cccc(c1N)Br 62a_200025704644_100010146558 [1,1,0,0,0,0|1,1,0]=4 3170 B10R1.2 [13CH3]Sc1cccc(c1N)Cl 62a_100010190421_200025704644 [1,1,0,0,0,0|1,1,0]=4 3171 B10R1.2 [13CH3]Sc1cccc(c1N)Cl 62a_200025704644_100010190421 [1,1,0,0,0,0|1,1,0]=4 3172 B10R1.2 [13CH3]Sc1cccc(c1N)F 62a_100000042321_200025704644 [1,1,0,0,0,0|1,1,0]=4 3173 B10R1.2 [13CH3]Sc1cccc(c1N)F 62a_200025704644_100000042321 [1,1,0,0,0,0|1,1,0]=4 3174 B10R1.2 [13CH3]Sc1cccc(c1N)N 62a_100015191791_200025704644 [1,1,0,0,0,0|1,1,0]=4 3175 B10R1.2 [13CH3]Sc1cccc(c1N)O 62a_200025704644_100011934926 [1,1,0,0,0,0|0,1,0]=3 3176 B10R1.2 [13CH3]Sc1cccc(c1O)Br 62a_100010084509_200025704644 [1,1,0,0,0,0|1,1,0]=4 3177 B10R1.2 [13CH3]Sc1cccc(c1O)Br 62a_200025704644_100010084509 [1,1,0,0,0,0|1,1,0]=4 3178 B10R1.2 [13CH3]Sc1cccc(c1O)Cl 62a_100010202889_200025704644 [1,1,0,0,0,0|1,1,0]=4 3179 B10R1.2 [13CH3]Sc1cccc(c1O)Cl 62a_200025704644_100010202889 [1,1,0,0,0,0|1,1,0]=4 3180 B10R1.2 [13CH3]Sc1cccc(c1O)F 62a_100009813666_200025704644 [1,1,0,0,0,0|1,1,0]=4 3181 B10R1.2 [13CH3]Sc1cccc(c1O)F 62a_200025704644_100009813666 [1,1,0,0,0,0|1,1,0]=4 3182 B10R1.2 [13CH3]Sc1cccc(c1O)N 62a_100011934915_200025704644 [1,1,0,0,0,0|1,1,0]=4 3183 B10R1.2 [13CH3]Sc1cccc(c1O)N 62a_200025704644_100010084371 [1,1,0,0,0,0|1,1,0]=4 3184 B10R1.2 [13CH3]Sc1cccc(c1O)O 62a_200025704644_100009815950 [1,1,0,0,0,0|0,1,0]=3 3185 B10R1.2 [13CH3]Sc1nccc(c1F)O 62a_100009876375_200025704644 [1,1,0,0,0,0|1,1,0]=4 3186 B10R1.2 [13CH3]Sc1nccc(c1F)O 62a_200025704644_100009876375 [1,1,0,0,0,0|1,1,0]=4 3187 B10R1.8 C=Cc1cc(cc(c1)Br)O 271570a_100011290941_100010068917 [1,1,0,0,0,0|1,0,1]=4 3188 B10R1.8 C=Cc1cc(cc(c1)C)C 271570a_100011290941_100011215608 [1,1,0,0,0,0|1,0,1]=4 3189 B10R1.8 C=Cc1cc(cc(c1)Cl)C 271570a_100011290941_100010172791 [1,1,0,0,0,0|1,0,1]=4 3190 B10R1.8 C=Cc1cc(cc(c1)Cl)O 271570a_100011290941_100010068924 [1,1,0,0,0,0|1,0,1]=4 3191 B10R1.8 C=Cc1cc(cc(c1)F)C 271570a_100011290941_100011356977 [1,1,0,0,0,0|1,0,1]=4 3192 B10R1.8 C=Cc1cc(cc(c1)F)O 271570a_100011290941_100000717995 [1,1,0,0,0,0|1,0,1]=4 3193 B10R1.8 C=Cc1cc(cc(c1)N)C 271570a_100011290941_100000695972 [1,1,0,0,0,0|1,0,1]=4 3194 B10R1.8 C=Cc1cc(cc(c1)O)C 271570a_100011290941_100011999630 [1,1,0,0,0,0|1,0,1]=4 3195 B10R1.8 C=Cc1cc(cc(c1)O)O 271570a_100011290941_100009868816 [1,1,0,0,0,0|1,0,1]=4 3196 B10R1.8 CCc1cc(cc(c1)O)N 271570a_203496583355_100010074814 [1,1,0,0,0,0|1,0,0]=3 3197 B10R1.8 CNc1cc([nH]c(=O)c1)C 27a_100102657272_100009861981 [1,1,0,0,0,0|2,0,0]=4 3198 B10R1.8 CNc1cc(cc(c1)Br)Br 27a_100102657272_100009814770 [1,1,0,0,0,0|2,0,0]=4 3199 B10R1.8 CNc1cc(cc(c1)Br)Br 34a_100012047176_200000210301 [1,1,0,0,0,0|2,0,0]=4 3200 B10R1.8 CNc1cc(cc(c1)Br)Br 7a_100012047176_200000210301 [1,1,0,0,0,0|2,0,0]=4 3201 B10R1.8 CNc1cc(cc(c1)Br)C 34a_100000695972_200000210301 [1,1,0,0,0,0|1,0,0]=3 3202 B10R1.8 CNc1cc(cc(c1)Br)C 7a_100000695972_200000210301 [1,1,0,0,0,0|1,0,0]=3 3203 B10R1.8 CNc1cc(cc(c1)Br)Cl 34a_100011934539_200000210301 [1,1,0,0,0,0|2,0,0]=4 3204 B10R1.8 CNc1cc(cc(c1)Br)Cl 7a_100011934539_200000210301 [1,1,0,0,0,0|2,0,0]=4 3205 B10R1.8 CNc1cc(cc(c1)Br)F 34a_100000705686_200000210301 [1,1,0,0,0,0|2,0,0]=4 3206 B10R1.8 CNc1cc(cc(c1)Br)F 7a_100000705686_200000210301 [1,1,0,0,0,0|2,0,0]=4 3207 B10R1.8 CNc1cc(cc(c1)C)C 2230a_100000210930_200000210301 [1,1,0,0,0,0|1,0,0]=3 3208 B10R1.8 CNc1cc(cc(c1)C)C 34a_100000210930_200000210301 [1,1,0,0,0,0|1,0,0]=3 3209 B10R1.8 CNc1cc(cc(c1)C)C 7a_100000210930_200000210301 [1,1,0,0,0,0|1,0,0]=3 3210 B10R1.8 CNc1cc(cc(c1)Cl)C 2230a_100012022512_200000210301 [1,1,0,0,0,0|1,0,0]=3 3211 B10R1.8 CNc1cc(cc(c1)Cl)C 34a_100012022512_200000210301 [1,1,0,0,0,0|1,0,0]=3 3212 B10R1.8 CNc1cc(cc(c1)Cl)C 7a_100012022512_200000210301 [1,1,0,0,0,0|1,0,0]=3 3213 B10R1.8 CNc1cc(cc(c1)Cl)Cl 34a_100000210456_200000210301 [1,1,0,0,0,0|2,0,0]=4 3214 B10R1.8 CNc1cc(cc(c1)Cl)Cl 7a_100000210456_200000210301 [1,1,0,0,0,0|2,0,0]=4 3215 B10R1.8 CNc1cc(cc(c1)Cl)F 34a_100000686136_200000210301 [1,1,0,0,0,0|2,0,0]=4 3216 B10R1.8 CNc1cc(cc(c1)Cl)F 7a_100000686136_200000210301 [1,1,0,0,0,0|2,0,0]=4 3217 B10R1.8 CNc1cc(cc(c1)Cl)O 34a_100000123917_200000210301 [1,1,0,0,0,0|1,0,0]=3 3218 B10R1.8 CNc1cc(cc(c1)Cl)O 7a_100000123917_200000210301 [1,1,0,0,0,0|1,0,0]=3 3219 B10R1.8 CNc1cc(cc(c1)F)C 2230a_100000742734_200000210301 [1,1,0,0,0,0|1,0,0]=3 3220 B10R1.8 CNc1cc(cc(c1)F)C 34a_100000742734_200000210301 [1,1,0,0,0,0|1,0,0]=3 3221 B10R1.8 CNc1cc(cc(c1)F)C 7a_100000742734_200000210301 [1,1,0,0,0,0|1,0,0]=3 3222 B10R1.8 CNc1cc(cc(c1)F)F 34a_100000233717_200000210301 [1,1,0,0,0,0|2,0,0]=4 3223 B10R1.8 CNc1cc(cc(c1)F)F 7a_100000233717_200000210301 [1,1,0,0,0,0|2,0,0]=4 3224 B10R1.8 CNc1cc(cc(c1)F)O 271570a_203496583355_106741647397 [1,1,0,0,0,0|1,0,0]=3 3225 B10R1.8 CNc1cc(cc(c1)I)Br 7a_100009814763_200000210301 [1,1,0,0,0,0|2,0,0]=4 3226 B10R1.8 CNc1cc(cc(c1)I)Cl 7a_100010147676_200000210301 [1,1,0,0,0,0|2,0,0]=4 3227 B10R1.8 CNc1cc(cc(c1)I)F 34a_100011356972_200000210301 [1,1,0,0,0,0|2,0,0]=4 3228 B10R1.8 CNc1cc(cc(c1)I)F 7a_100011356972_200000210301 [1,1,0,0,0,0|2,0,0]=4 3229 B10R1.8 CNc1cc(cc(c1)I)I 7a_200000696836_200000210301 [1,1,0,0,0,0|2,0,0]=4 3230 B10R1.8 CNc1cc(cc(c1)O)C 34a_100011995906_200000210301 [1,1,0,0,0,0|1,0,0]=3 3231 B10R1.8 CNc1cc(cc(c1)O)C 7a_100011995906_200000210301 [1,1,0,0,0,0|1,0,0]=3 3232 B10R1.8 CNc1cc(cc(c1)O)O 34a_100000043371_200000210301 [1,1,0,0,0,0|1,0,0]=3 3233 B10R1.8 CNc1cc(cc(n1)C)C 27a_100102657272_100000069240 [1,1,0,0,0,0|2,0,0]=4 3234 B10R1.8 CNc1cc(cc(n1)F)C 27a_100102657272_100009819601 [1,1,0,0,0,0|2,0,0]=4 3235 B10R1.8 CNc1cc(nc(c1)C)C 27a_100102657272_100000066820 [1,1,0,0,0,0|2,0,0]=4 3236 B10R1.8 CNc1cc(nc(c1)Cl)C 27a_100102657272_100010068023 [1,1,0,0,0,0|2,0,0]=4 3237 B10R1.8 CNc1cc(nc(c1)F)C 27a_100102657272_100010006595 [1,1,0,0,0,0|2,0,0]=4 3238 B10R1.8 COc1cc(=O)cc(o1)C 34a_100016989201_200000210301 [1,1,0,0,0,0|1,0,0]=3 3239 B10R1.8 COc1cc([nH]c(=O)c1)C 34a_100000039070_200000210301 [1,1,0,0,0,0|1,0,0]=3 3240 B10R1.8 COc1cc(cc(c1)Br)Br 34a_100010167048_200000210301 [1,1,0,0,0,0|1,0,0]=3 3241 B10R1.8 COc1cc(cc(c1)Br)Br 7a_100010167048_200000210301 [1,1,0,0,0,0|1,0,0]=3 3242 B10R1.8 COc1cc(cc(c1)Br)C 34a_100011999630_200000210301 [1,1,0,0,0,0|0,0,0]=2 3243 B10R1.8 COc1cc(cc(c1)Br)C 7a_100011999630_200000210301 [1,1,0,0,0,0|0,0,0]=2 3244 B10R1.8 COc1cc(cc(c1)Br)Cl 34a_100010185897_200000210301 [1,1,0,0,0,0|1,0,0]=3 3245 B10R1.8 COc1cc(cc(c1)Br)Cl 7a_100010185897_200000210301 [1,1,0,0,0,0|1,0,0]=3 3246 B10R1.8 COc1cc(cc(c1)Br)F 34a_100000688818_200000210301 [1,1,0,0,0,0|1,0,0]=3 3247 B10R1.8 COc1cc(cc(c1)Br)F 7a_100000688818_200000210301 [1,1,0,0,0,0|1,0,0]=3 3248 B10R1.8 COc1cc(cc(c1)Br)O 271570a_203496583355_100010141301 [1,1,0,0,0,0|0,0,0]=2 3249 B10R1.8 COc1cc(cc(c1)C)C 34a_100000210933_200000210301 [1,1,0,0,0,0|0,0,0]=2 3250 B10R1.8 COc1cc(cc(c1)C)C 7a_100000210933_200000210301 [1,1,0,0,0,0|0,0,0]=2 3251 B10R1.8 COc1cc(cc(c1)Cl)C 34a_100000087485_200000210301 [1,1,0,0,0,0|0,0,0]=2 3252 B10R1.8 COc1cc(cc(c1)Cl)C 7a_100000087485_200000210301 [1,1,0,0,0,0|0,0,0]=2 3253 B10R1.8 COc1cc(cc(c1)Cl)Cl 34a_100000181315_200000210301 [1,1,0,0,0,0|1,0,0]=3 3254 B10R1.8 COc1cc(cc(c1)Cl)Cl 7a_100000181315_200000210301 [1,1,0,0,0,0|1,0,0]=3 3255 B10R1.8 COc1cc(cc(c1)Cl)F 34a_100011219751_200000210301 [1,1,0,0,0,0|1,0,0]=3 3256 B10R1.8 COc1cc(cc(c1)Cl)F 7a_100011219751_200000210301 [1,1,0,0,0,0|1,0,0]=3 3257 B10R1.8 COc1cc(cc(c1)Cl)N 34a_100000123917_200000210301 [1,1,0,0,0,0|1,0,0]=3 3258 B10R1.8 COc1cc(cc(c1)Cl)N 7a_100000123917_200000210301 [1,1,0,0,0,0|1,0,0]=3 3259 B10R1.8 COc1cc(cc(c1)Cl)O 271570a_203496583355_100010147680 [1,1,0,0,0,0|0,0,0]=2 3260 B10R1.8 COc1cc(cc(c1)F)C 34a_100011830401_200000210301 [1,1,0,0,0,0|0,0,0]=2 3261 B10R1.8 COc1cc(cc(c1)F)C 7a_100011830401_200000210301 [1,1,0,0,0,0|0,0,0]=2 3262 B10R1.8 COc1cc(cc(c1)F)F 34a_100000747503_200000210301 [1,1,0,0,0,0|1,0,0]=3 3263 B10R1.8 COc1cc(cc(c1)F)F 7a_100000747503_200000210301 [1,1,0,0,0,0|1,0,0]=3 3264 B10R1.8 COc1cc(cc(c1)F)O 271570a_203496583355_100011934182 [1,1,0,0,0,0|0,0,0]=2 3265 B10R1.8 COc1cc(cc(c1)I)Br 34a_100010068917_200000210301 [1,1,0,0,0,0|1,0,0]=3 3266 B10R1.8 COc1cc(cc(c1)I)Br 7a_100010068917_200000210301 [1,1,0,0,0,0|1,0,0]=3 3267 B10R1.8 COc1cc(cc(c1)I)Cl 34a_100010068924_200000210301 [1,1,0,0,0,0|1,0,0]=3 3268 B10R1.8 COc1cc(cc(c1)I)Cl 7a_100010068924_200000210301 [1,1,0,0,0,0|1,0,0]=3 3269 B10R1.8 COc1cc(cc(c1)I)F 34a_100000717995_200000210301 [1,1,0,0,0,0|1,0,0]=3 3270 B10R1.8 COc1cc(cc(c1)I)F 7a_100000717995_200000210301 [1,1,0,0,0,0|1,0,0]=3 3271 B10R1.8 COc1cc(cc(c1)N)C 34a_100011995906_200000210301 [1,1,0,0,0,0|0,0,0]=2 3272 B10R1.8 COc1cc(cc(c1)N)C 7a_100011995906_200000210301 [1,1,0,0,0,0|0,0,0]=2 3273 B10R1.8 COc1cc(cc(c1)O)C 271570a_203496583355_100010187550 [1,1,0,0,0,0|0,0,0]=2 3274 B10R1.8 COc1cc(cc(c1)O)N 271570a_203496583355_100000750983 [1,1,0,0,0,0|0,0,0]=2 3275 B10R1.8 COc1cc(cc(c1)O)O 271570a_203496583355_100010068927 [1,1,0,0,0,0|0,0,0]=2 3276 B10R1.8 COc1cc(cc(n1)C)O 271570a_203496583355_100010067692 [1,1,0,0,0,0|1,0,0]=3 3277 B10R1.8 COc1cc(cc(n1)N)O 271570a_203496583355_100010136845 [1,1,0,0,0,0|1,0,0]=3 3278 B10R1.8 COc1cc(cc(n1)O)C 271570a_203496583355_100009856763 [1,1,0,0,0,0|1,0,0]=3 3279 B10R1.8 COc1cc(cc(n1)O)N 271570a_203496583355_100012187057 [1,1,0,0,0,0|1,0,0]=3 3280 B10R1.8 COc1cc(nc(c1)Br)Br 34a_100010172823_200000210301 [1,1,0,0,0,0|2,0,0]=4 3281 B10R1.8 COc1cc(nc(c1)Br)Br 7a_100010172823_200000210301 [1,1,0,0,0,0|2,0,0]=4 3282 B10R1.8 COc1cc(nc(c1)O)C 271570a_203496583355_200009849800 [1,1,0,0,0,0|1,0,0]=3 3283 B10R1.8 COc1cc(nc(c1)O)N 271570a_203496583355_100010257270 [1,1,0,0,0,0|1,0,0]=3 3284 B10R1.8 COc1cc(nc(n1)C)O 271570a_203496583355_100011686313 [1,1,0,0,0,0|2,0,0]=4 3285 B10R1.8 COc1cc(nc(n1)N)O 271570a_203496583355_100000686185 [1,1,0,0,0,0|2,0,0]=4 3286 B10R1.8 COc1cc(nc(n1)O)C 271570a_203496583355_100000755725 [1,1,0,0,0,0|2,0,0]=4 3287 B10R1.8 COc1cc(oc(=O)c1)C 34a_100000210952_200000210301 [1,1,0,0,0,0|1,0,0]=3 3288 B10R1.8 COc1cc(oc(=O)c1)C 7a_100000210952_200000210301 [1,1,0,0,0,0|1,0,0]=3 3289 B10R1.8 COc1nc(cc(n1)O)N 271570a_203496583355_100000101663 [1,1,0,0,0,0|2,0,0]=4 3290 B10R1.8 CSc1cc([nH]c(=O)c1)C 62a_100009861981_200000210301 [1,1,0,0,0,0|1,1,0]=4 3291 B10R1.8 CSc1cc([nH]c(=O)c1)C 62a_200000210301_100009861981 [1,1,0,0,0,0|1,1,0]=4 3292 B10R1.8 CSc1cc(cc(c1)Br)Br 62a_100009814770_200000210301 [1,1,0,0,0,0|1,1,0]=4 3293 B10R1.8 CSc1cc(cc(c1)Br)Br 62a_200000210301_100009814770 [1,1,0,0,0,0|1,1,0]=4 3294 B10R1.8 CSc1cc(cc(c1)Br)Cl 62a_100009814755_200000210301 [1,1,0,0,0,0|1,1,0]=4 3295 B10R1.8 CSc1cc(cc(c1)Br)Cl 62a_200000210301_100009814755 [1,1,0,0,0,0|1,1,0]=4 3296 B10R1.8 CSc1cc(cc(c1)Br)F 62a_100009814764_200000210301 [1,1,0,0,0,0|1,1,0]=4 3297 B10R1.8 CSc1cc(cc(c1)Br)F 62a_200000210301_100009814764 [1,1,0,0,0,0|1,1,0]=4 3298 B10R1.8 CSc1cc(cc(c1)Br)N 62a_100009814763_200000210301 [1,1,0,0,0,0|1,1,0]=4 3299 B10R1.8 CSc1cc(cc(c1)Br)N 62a_200000210301_100009814763 [1,1,0,0,0,0|1,1,0]=4 3300 B10R1.8 CSc1cc(cc(c1)Br)O 62a_100010068917_200000210301 [1,1,0,0,0,0|0,1,0]=3 3301 B10R1.8 CSc1cc(cc(c1)Br)O 62a_200000210301_100010068917 [1,1,0,0,0,0|0,1,0]=3 3302 B10R1.8 CSc1cc(cc(c1)C)C 62a_100011215608_200000210301 [1,1,0,0,0,0|0,1,0]=3 3303 B10R1.8 CSc1cc(cc(c1)C)C 62a_200000210301_100011215608 [1,1,0,0,0,0|0,1,0]=3 3304 B10R1.8 CSc1cc(cc(c1)Cl)C 62a_100010172791_200000210301 [1,1,0,0,0,0|0,1,0]=3 3305 B10R1.8 CSc1cc(cc(c1)Cl)C 62a_200000210301_100010172791 [1,1,0,0,0,0|0,1,0]=3 3306 B10R1.8 CSc1cc(cc(c1)Cl)Cl 62a_100000747138_200000210301 [1,1,0,0,0,0|1,1,0]=4 3307 B10R1.8 CSc1cc(cc(c1)Cl)Cl 62a_200000210301_100000747138 [1,1,0,0,0,0|1,1,0]=4 3308 B10R1.8 CSc1cc(cc(c1)Cl)F 62a_100013859453_200000210301 [1,1,0,0,0,0|1,1,0]=4 3309 B10R1.8 CSc1cc(cc(c1)Cl)F 62a_200000210301_100013859453 [1,1,0,0,0,0|1,1,0]=4 3310 B10R1.8 CSc1cc(cc(c1)Cl)N 62a_100010147676_200000210301 [1,1,0,0,0,0|1,1,0]=4 3311 B10R1.8 CSc1cc(cc(c1)Cl)N 62a_200000210301_100010147676 [1,1,0,0,0,0|1,1,0]=4 3312 B10R1.8 CSc1cc(cc(c1)Cl)O 62a_100010068924_200000210301 [1,1,0,0,0,0|0,1,0]=3 3313 B10R1.8 CSc1cc(cc(c1)Cl)O 62a_200000210301_100010068924 [1,1,0,0,0,0|0,1,0]=3 3314 B10R1.8 CSc1cc(cc(c1)F)C 62a_100011356977_200000210301 [1,1,0,0,0,0|0,1,0]=3 3315 B10R1.8 CSc1cc(cc(c1)F)C 62a_200000210301_100011356977 [1,1,0,0,0,0|0,1,0]=3 3316 B10R1.8 CSc1cc(cc(c1)F)F 62a_100000233788_200000210301 [1,1,0,0,0,0|1,1,0]=4 3317 B10R1.8 CSc1cc(cc(c1)F)F 62a_200000210301_100000233788 [1,1,0,0,0,0|1,1,0]=4 3318 B10R1.8 CSc1cc(cc(c1)F)N 62a_100011356972_200000210301 [1,1,0,0,0,0|1,1,0]=4 3319 B10R1.8 CSc1cc(cc(c1)F)N 62a_200000210301_100011356972 [1,1,0,0,0,0|1,1,0]=4 3320 B10R1.8 CSc1cc(cc(c1)F)O 271570a_203496583355_200010245467 [1,1,0,0,0,0|0,1,0]=3 3321 B10R1.8 CSc1cc(cc(c1)F)O 62a_100000688818_200000210301 [1,1,0,0,0,0|0,1,0]=3 3322 B10R1.8 CSc1cc(cc(c1)F)O 62a_200000210301_100000688818 [1,1,0,0,0,0|0,1,0]=3 3323 B10R1.8 CSc1cc(cc(c1)N)C 62a_100000695972_200000210301 [1,1,0,0,0,0|0,1,0]=3 3324 B10R1.8 CSc1cc(cc(c1)N)C 62a_200000210301_100000695972 [1,1,0,0,0,0|0,1,0]=3 3325 B10R1.8 CSc1cc(cc(c1)N)N 62a_100011999608_200000210301 [1,1,0,0,0,0|1,1,0]=4 3326 B10R1.8 CSc1cc(cc(c1)N)N 62a_200000210301_100011999608 [1,1,0,0,0,0|1,1,0]=4 3327 B10R1.8 CSc1cc(cc(c1)O)C 271570a_203496583355_200010709730 [1,1,0,0,0,0|0,1,0]=3 3328 B10R1.8 CSc1cc(cc(c1)O)C 62a_200000210301_100011999630 [1,1,0,0,0,0|0,1,0]=3 3329 B10R1.8 CSc1cc(cc(c1)O)O 62a_200000210301_100009868816 [1,1,0,0,0,0|0,1,0]=3 3330 B10R1.8 CSc1cc(cc(n1)C)C 62a_100000069240_200000210301 [1,1,0,0,0,0|1,1,0]=4 3331 B10R1.8 CSc1cc(cc(n1)C)C 62a_200000210301_100000069240 [1,1,0,0,0,0|1,1,0]=4 3332 B10R1.8 CSc1cc(cc(n1)C)N 62a_100000071261_200000210301 [1,1,0,0,0,0|1,1,0]=4 3333 B10R1.8 CSc1cc(cc(n1)C)N 62a_200000210301_100000071261 [1,1,0,0,0,0|1,1,0]=4 3334 B10R1.8 CSc1cc(cc(n1)F)C 62a_100009819601_200000210301 [1,1,0,0,0,0|1,1,0]=4 3335 B10R1.8 CSc1cc(cc(n1)F)C 62a_200000210301_100009819601 [1,1,0,0,0,0|1,1,0]=4 3336 B10R1.8 CSc1cc(cc(n1)N)C 62a_100009819863_200000210301 [1,1,0,0,0,0|1,1,0]=4 3337 B10R1.8 CSc1cc(cc(n1)N)C 62a_200000210301_100009819863 [1,1,0,0,0,0|1,1,0]=4 3338 B10R1.8 CSc1cc(cc(n1)O)N 62a_200000210301_200012179554 [1,1,0,0,0,0|1,1,0]=4 3339 B10R1.8 CSc1cc(nc(c1)C)C 62a_100000066820_200000210301 [1,1,0,0,0,0|1,1,0]=4 3340 B10R1.8 CSc1cc(nc(c1)C)C 62a_200000210301_100000066820 [1,1,0,0,0,0|1,1,0]=4 3341 B10R1.8 CSc1cc(nc(c1)Cl)C 62a_100010068023_200000210301 [1,1,0,0,0,0|1,1,0]=4 3342 B10R1.8 CSc1cc(nc(c1)Cl)C 62a_200000210301_100010068023 [1,1,0,0,0,0|1,1,0]=4 3343 B10R1.8 CSc1cc(nc(c1)F)C 62a_100010006595_200000210301 [1,1,0,0,0,0|1,1,0]=4 3344 B10R1.8 CSc1cc(nc(c1)F)C 62a_200000210301_100010006595 [1,1,0,0,0,0|1,1,0]=4 3345 B10R1.8 CSc1cc(nc(c1)N)C 62a_100000076705_200000210301 [1,1,0,0,0,0|1,1,0]=4 3346 B10R1.8 CSc1cc(nc(c1)N)C 62a_200000210301_100000076705 [1,1,0,0,0,0|1,1,0]=4 3347 B10R1.8 Cc1cc(=O)cc(o1)O[13CH3] 34a_100016989201_200025704644 [1,1,0,0,0,0|1,0,0]=3 3348 B10R1.8 Cc1cc(cc(=O)[nH]1)O[13CH3] 34a_100000039070_200025704644 [1,1,0,0,0,0|1,0,0]=3 3349 B10R1.8 Cc1cc(cc(=O)[nH]1)S[13CH3] 62a_100009861981_200025704644 [1,1,0,0,0,0|1,1,0]=4 3350 B10R1.8 Cc1cc(cc(=O)[nH]1)S[13CH3] 62a_200025704644_100009861981 [1,1,0,0,0,0|1,1,0]=4 3351 B10R1.8 Cc1cc(cc(=O)o1)O[13CH3] 34a_100000210952_200025704644 [1,1,0,0,0,0|1,0,0]=3 3352 B10R1.8 Cc1cc(cc(=O)o1)O[13CH3] 7a_100000210952_200025704644 [1,1,0,0,0,0|1,0,0]=3 3353 B10R1.8 Cc1cc(cc(c1)C#N)O 271570a_203496583355_100011998626 [1,1,0,0,0,0|2,0,0]=4 3354 B10R1.8 Cc1cc(cc(c1)C=O)O 271570a_203496583355_100000686105 [1,1,0,0,0,0|2,0,0]=4 3355 B10R1.8 Cc1cc(cc(c1)CO)O 271570a_203496583355_100000720511 [1,1,0,0,0,0|2,0,0]=4 3356 B10R1.8 Cc1cc(cc(c1)N[13CH3])Br 34a_100000695972_200025704644 [1,1,0,0,0,0|1,0,0]=3 3357 B10R1.8 Cc1cc(cc(c1)N[13CH3])Br 7a_100000695972_200025704644 [1,1,0,0,0,0|1,0,0]=3 3358 B10R1.8 Cc1cc(cc(c1)N[13CH3])C 2230a_100000210930_200025704644 [1,1,0,0,0,0|1,0,0]=3 3359 B10R1.8 Cc1cc(cc(c1)N[13CH3])C 34a_100000210930_200025704644 [1,1,0,0,0,0|1,0,0]=3 3360 B10R1.8 Cc1cc(cc(c1)N[13CH3])C 7a_100000210930_200025704644 [1,1,0,0,0,0|1,0,0]=3 3361 B10R1.8 Cc1cc(cc(c1)N[13CH3])Cl 2230a_100012022512_200025704644 [1,1,0,0,0,0|1,0,0]=3 3362 B10R1.8 Cc1cc(cc(c1)N[13CH3])Cl 34a_100012022512_200025704644 [1,1,0,0,0,0|1,0,0]=3 3363 B10R1.8 Cc1cc(cc(c1)N[13CH3])Cl 7a_100012022512_200025704644 [1,1,0,0,0,0|1,0,0]=3 3364 B10R1.8 Cc1cc(cc(c1)N[13CH3])F 2230a_100000742734_200025704644 [1,1,0,0,0,0|1,0,0]=3 3365 B10R1.8 Cc1cc(cc(c1)N[13CH3])F 34a_100000742734_200025704644 [1,1,0,0,0,0|1,0,0]=3 3366 B10R1.8 Cc1cc(cc(c1)N[13CH3])F 7a_100000742734_200025704644 [1,1,0,0,0,0|1,0,0]=3 3367 B10R1.8 Cc1cc(cc(c1)N[13CH3])O 34a_100011995906_200025704644 [1,1,0,0,0,0|1,0,0]=3 3368 B10R1.8 Cc1cc(cc(c1)N[13CH3])O 7a_100011995906_200025704644 [1,1,0,0,0,0|1,0,0]=3 3369 B10R1.8 Cc1cc(cc(c1)O[13CH3])Br 34a_100011999630_200025704644 [1,1,0,0,0,0|0,0,0]=2 3370 B10R1.8 Cc1cc(cc(c1)O[13CH3])Br 7a_100011999630_200025704644 [1,1,0,0,0,0|0,0,0]=2 3371 B10R1.8 Cc1cc(cc(c1)O[13CH3])C 34a_100000210933_200025704644 [1,1,0,0,0,0|0,0,0]=2 3372 B10R1.8 Cc1cc(cc(c1)O[13CH3])C 7a_100000210933_200025704644 [1,1,0,0,0,0|0,0,0]=2 3373 B10R1.8 Cc1cc(cc(c1)O[13CH3])Cl 34a_100000087485_200025704644 [1,1,0,0,0,0|0,0,0]=2 3374 B10R1.8 Cc1cc(cc(c1)O[13CH3])Cl 7a_100000087485_200025704644 [1,1,0,0,0,0|0,0,0]=2 3375 B10R1.8 Cc1cc(cc(c1)O[13CH3])F 34a_100011830401_200025704644 [1,1,0,0,0,0|0,0,0]=2 3376 B10R1.8 Cc1cc(cc(c1)O[13CH3])F 7a_100011830401_200025704644 [1,1,0,0,0,0|0,0,0]=2 3377 B10R1.8 Cc1cc(cc(c1)O[13CH3])N 34a_100011995906_200025704644 [1,1,0,0,0,0|0,0,0]=2 3378 B10R1.8 Cc1cc(cc(c1)O[13CH3])N 7a_100011995906_200025704644 [1,1,0,0,0,0|0,0,0]=2 3379 B10R1.8 Cc1cc(cc(c1)S[13CH3])C 62a_100011215608_200025704644 [1,1,0,0,0,0|0,1,0]=3 3380 B10R1.8 Cc1cc(cc(c1)S[13CH3])C 62a_200025704644_100011215608 [1,1,0,0,0,0|0,1,0]=3 3381 B10R1.8 Cc1cc(cc(c1)S[13CH3])Cl 62a_100010172791_200025704644 [1,1,0,0,0,0|0,1,0]=3 3382 B10R1.8 Cc1cc(cc(c1)S[13CH3])Cl 62a_200025704644_100010172791 [1,1,0,0,0,0|0,1,0]=3 3383 B10R1.8 Cc1cc(cc(c1)S[13CH3])F 62a_100011356977_200025704644 [1,1,0,0,0,0|0,1,0]=3 3384 B10R1.8 Cc1cc(cc(c1)S[13CH3])F 62a_200025704644_100011356977 [1,1,0,0,0,0|0,1,0]=3 3385 B10R1.8 Cc1cc(cc(c1)S[13CH3])N 62a_100000695972_200025704644 [1,1,0,0,0,0|0,1,0]=3 3386 B10R1.8 Cc1cc(cc(c1)S[13CH3])N 62a_200025704644_100000695972 [1,1,0,0,0,0|0,1,0]=3 3387 B10R1.8 Cc1cc(cc(c1)S[13CH3])O 62a_200025704644_100011999630 [1,1,0,0,0,0|0,1,0]=3 3388 B10R1.8 Cc1cc(cc(n1)C)S[13CH3] 62a_100000066820_200025704644 [1,1,0,0,0,0|1,1,0]=4 3389 B10R1.8 Cc1cc(cc(n1)C)S[13CH3] 62a_200025704644_100000066820 [1,1,0,0,0,0|1,1,0]=4 3390 B10R1.8 Cc1cc(cc(n1)Cl)S[13CH3] 62a_100010068023_200025704644 [1,1,0,0,0,0|1,1,0]=4 3391 B10R1.8 Cc1cc(cc(n1)Cl)S[13CH3] 62a_200025704644_100010068023 [1,1,0,0,0,0|1,1,0]=4 3392 B10R1.8 Cc1cc(cc(n1)F)S[13CH3] 62a_100010006595_200025704644 [1,1,0,0,0,0|1,1,0]=4 3393 B10R1.8 Cc1cc(cc(n1)F)S[13CH3] 62a_200025704644_100010006595 [1,1,0,0,0,0|1,1,0]=4 3394 B10R1.8 Cc1cc(cc(n1)N)S[13CH3] 62a_100000076705_200025704644 [1,1,0,0,0,0|1,1,0]=4 3395 B10R1.8 Cc1cc(cc(n1)N)S[13CH3] 62a_200025704644_100000076705 [1,1,0,0,0,0|1,1,0]=4 3396 B10R1.8 Cc1cc(cc(n1)S[13CH3])N 62a_100000071261_200025704644 [1,1,0,0,0,0|1,1,0]=4 3397 B10R1.8 Cc1cc(cc(n1)S[13CH3])N 62a_200025704644_100000071261 [1,1,0,0,0,0|1,1,0]=4 3398 B10R1.8 Cc1cc(nc(c1)S[13CH3])C 62a_100000069240_200025704644 [1,1,0,0,0,0|1,1,0]=4 3399 B10R1.8 Cc1cc(nc(c1)S[13CH3])C 62a_200025704644_100000069240 [1,1,0,0,0,0|1,1,0]=4 3400 B10R1.8 Cc1cc(nc(c1)S[13CH3])F 62a_100009819601_200025704644 [1,1,0,0,0,0|1,1,0]=4 3401 B10R1.8 Cc1cc(nc(c1)S[13CH3])F 62a_200025704644_100009819601 [1,1,0,0,0,0|1,1,0]=4 3402 B10R1.8 Cc1cc(nc(c1)S[13CH3])N 62a_100009819863_200025704644 [1,1,0,0,0,0|1,1,0]=4 3403 B10R1.8 Cc1cc(nc(c1)S[13CH3])N 62a_200025704644_100009819863 [1,1,0,0,0,0|1,1,0]=4 3404 B10R1.8 N#Cc1cc(cc(c1)Br)O 271570a_203496583355_100009997436 [1,1,0,0,0,0|2,0,0]=4 3405 B10R1.8 N#Cc1cc(cc(c1)Cl)O 271570a_203496583355_100009827952 [1,1,0,0,0,0|2,0,0]=4 3406 B10R1.8 N#Cc1cc(cc(c1)F)O 271570a_203496583355_100000756176 [1,1,0,0,0,0|2,0,0]=4 3407 B10R1.8 N#Cc1cc(cc(c1)O)N 271570a_203496583355_100012002331 [1,1,0,0,0,0|2,0,0]=4 3408 B10R1.8 N#Cc1cc(cc(c1)O)O 271570a_203496583355_100012180112 [1,1,0,0,0,0|2,0,0]=4 3409 B10R1.8 NCc1cc(cc(c1)F)O 271570a_203496583355_100020611034 [1,1,0,0,0,0|2,0,0]=4 3410 B10R1.8 O=Cc1cc(cc(c1)Br)O 271570a_203496583355_100010185649 [1,1,0,0,0,0|2,0,0]=4 3411 B10R1.8 O=Cc1cc(cc(c1)F)O 271570a_203496583355_100011794424 [1,1,0,0,0,0|2,0,0]=4 3412 B10R1.8 O=Cc1cc(cc(c1)O)O 271570a_203496583355_100010176088 [1,1,0,0,0,0|2,0,0]=4 3413 B10R1.8 OCc1cc(cc(c1)Br)O 271570a_203496583355_100009814756 [1,1,0,0,0,0|2,0,0]=4 3414 B10R1.8 OCc1cc(cc(c1)F)O 271570a_203496583355_100000766897 [1,1,0,0,0,0|2,0,0]=4 3415 B10R1.8 [13CH3]Nc1cc(cc(c1)Br)Br 34a_100012047176_200025704644 [1,1,0,0,0,0|2,0,0]=4 3416 B10R1.8 [13CH3]Nc1cc(cc(c1)Br)Br 7a_100012047176_200025704644 [1,1,0,0,0,0|2,0,0]=4 3417 B10R1.8 [13CH3]Nc1cc(cc(c1)Br)Cl 34a_100011934539_200025704644 [1,1,0,0,0,0|2,0,0]=4 3418 B10R1.8 [13CH3]Nc1cc(cc(c1)Br)Cl 7a_100011934539_200025704644 [1,1,0,0,0,0|2,0,0]=4 3419 B10R1.8 [13CH3]Nc1cc(cc(c1)Br)F 34a_100000705686_200025704644 [1,1,0,0,0,0|2,0,0]=4 3420 B10R1.8 [13CH3]Nc1cc(cc(c1)Br)F 7a_100000705686_200025704644 [1,1,0,0,0,0|2,0,0]=4 3421 B10R1.8 [13CH3]Nc1cc(cc(c1)Cl)Cl 34a_100000210456_200025704644 [1,1,0,0,0,0|2,0,0]=4 3422 B10R1.8 [13CH3]Nc1cc(cc(c1)Cl)Cl 7a_100000210456_200025704644 [1,1,0,0,0,0|2,0,0]=4 3423 B10R1.8 [13CH3]Nc1cc(cc(c1)Cl)F 34a_100000686136_200025704644 [1,1,0,0,0,0|2,0,0]=4 3424 B10R1.8 [13CH3]Nc1cc(cc(c1)Cl)F 7a_100000686136_200025704644 [1,1,0,0,0,0|2,0,0]=4 3425 B10R1.8 [13CH3]Nc1cc(cc(c1)Cl)O 34a_100000123917_200025704644 [1,1,0,0,0,0|1,0,0]=3 3426 B10R1.8 [13CH3]Nc1cc(cc(c1)Cl)O 7a_100000123917_200025704644 [1,1,0,0,0,0|1,0,0]=3 3427 B10R1.8 [13CH3]Nc1cc(cc(c1)F)F 34a_100000233717_200025704644 [1,1,0,0,0,0|2,0,0]=4 3428 B10R1.8 [13CH3]Nc1cc(cc(c1)F)F 7a_100000233717_200025704644 [1,1,0,0,0,0|2,0,0]=4 3429 B10R1.8 [13CH3]Nc1cc(cc(c1)I)Br 7a_100009814763_200025704644 [1,1,0,0,0,0|2,0,0]=4 3430 B10R1.8 [13CH3]Nc1cc(cc(c1)I)Cl 7a_100010147676_200025704644 [1,1,0,0,0,0|2,0,0]=4 3431 B10R1.8 [13CH3]Nc1cc(cc(c1)I)F 34a_100011356972_200025704644 [1,1,0,0,0,0|2,0,0]=4 3432 B10R1.8 [13CH3]Nc1cc(cc(c1)I)F 7a_100011356972_200025704644 [1,1,0,0,0,0|2,0,0]=4 3433 B10R1.8 [13CH3]Nc1cc(cc(c1)I)I 7a_200000696836_200025704644 [1,1,0,0,0,0|2,0,0]=4 3434 B10R1.8 [13CH3]Nc1cc(cc(c1)O)O 34a_100000043371_200025704644 [1,1,0,0,0,0|1,0,0]=3 3435 B10R1.8 [13CH3]Oc1cc(cc(c1)Br)Br 34a_100010167048_200025704644 [1,1,0,0,0,0|1,0,0]=3 3436 B10R1.8 [13CH3]Oc1cc(cc(c1)Br)Br 7a_100010167048_200025704644 [1,1,0,0,0,0|1,0,0]=3 3437 B10R1.8 [13CH3]Oc1cc(cc(c1)Br)Cl 34a_100010185897_200025704644 [1,1,0,0,0,0|1,0,0]=3 3438 B10R1.8 [13CH3]Oc1cc(cc(c1)Br)Cl 7a_100010185897_200025704644 [1,1,0,0,0,0|1,0,0]=3 3439 B10R1.8 [13CH3]Oc1cc(cc(c1)Br)F 34a_100000688818_200025704644 [1,1,0,0,0,0|1,0,0]=3 3440 B10R1.8 [13CH3]Oc1cc(cc(c1)Br)F 7a_100000688818_200025704644 [1,1,0,0,0,0|1,0,0]=3 3441 B10R1.8 [13CH3]Oc1cc(cc(c1)Cl)Cl 34a_100000181315_200025704644 [1,1,0,0,0,0|1,0,0]=3 3442 B10R1.8 [13CH3]Oc1cc(cc(c1)Cl)Cl 7a_100000181315_200025704644 [1,1,0,0,0,0|1,0,0]=3 3443 B10R1.8 [13CH3]Oc1cc(cc(c1)Cl)F 34a_100011219751_200025704644 [1,1,0,0,0,0|1,0,0]=3 3444 B10R1.8 [13CH3]Oc1cc(cc(c1)Cl)F 7a_100011219751_200025704644 [1,1,0,0,0,0|1,0,0]=3 3445 B10R1.8 [13CH3]Oc1cc(cc(c1)Cl)N 34a_100000123917_200025704644 [1,1,0,0,0,0|1,0,0]=3 3446 B10R1.8 [13CH3]Oc1cc(cc(c1)Cl)N 7a_100000123917_200025704644 [1,1,0,0,0,0|1,0,0]=3 3447 B10R1.8 [13CH3]Oc1cc(cc(c1)F)F 34a_100000747503_200025704644 [1,1,0,0,0,0|1,0,0]=3 3448 B10R1.8 [13CH3]Oc1cc(cc(c1)F)F 7a_100000747503_200025704644 [1,1,0,0,0,0|1,0,0]=3 3449 B10R1.8 [13CH3]Oc1cc(cc(c1)I)Br 34a_100010068917_200025704644 [1,1,0,0,0,0|1,0,0]=3 3450 B10R1.8 [13CH3]Oc1cc(cc(c1)I)Br 7a_100010068917_200025704644 [1,1,0,0,0,0|1,0,0]=3 3451 B10R1.8 [13CH3]Oc1cc(cc(c1)I)Cl 34a_100010068924_200025704644 [1,1,0,0,0,0|1,0,0]=3 3452 B10R1.8 [13CH3]Oc1cc(cc(c1)I)Cl 7a_100010068924_200025704644 [1,1,0,0,0,0|1,0,0]=3 3453 B10R1.8 [13CH3]Oc1cc(cc(c1)I)F 34a_100000717995_200025704644 [1,1,0,0,0,0|1,0,0]=3 3454 B10R1.8 [13CH3]Oc1cc(cc(c1)I)F 7a_100000717995_200025704644 [1,1,0,0,0,0|1,0,0]=3 3455 B10R1.8 [13CH3]Oc1cc(nc(c1)Br)Br 34a_100010172823_200025704644 [1,1,0,0,0,0|2,0,0]=4 3456 B10R1.8 [13CH3]Oc1cc(nc(c1)Br)Br 7a_100010172823_200025704644 [1,1,0,0,0,0|2,0,0]=4 3457 B10R1.8 [13CH3]Sc1cc(cc(c1)Br)Br 62a_100009814770_200025704644 [1,1,0,0,0,0|1,1,0]=4 3458 B10R1.8 [13CH3]Sc1cc(cc(c1)Br)Br 62a_200025704644_100009814770 [1,1,0,0,0,0|1,1,0]=4 3459 B10R1.8 [13CH3]Sc1cc(cc(c1)Br)Cl 62a_100009814755_200025704644 [1,1,0,0,0,0|1,1,0]=4 3460 B10R1.8 [13CH3]Sc1cc(cc(c1)Br)Cl 62a_200025704644_100009814755 [1,1,0,0,0,0|1,1,0]=4 3461 B10R1.8 [13CH3]Sc1cc(cc(c1)Br)F 62a_100009814764_200025704644 [1,1,0,0,0,0|1,1,0]=4 3462 B10R1.8 [13CH3]Sc1cc(cc(c1)Br)F 62a_200025704644_100009814764 [1,1,0,0,0,0|1,1,0]=4 3463 B10R1.8 [13CH3]Sc1cc(cc(c1)Br)N 62a_100009814763_200025704644 [1,1,0,0,0,0|1,1,0]=4 3464 B10R1.8 [13CH3]Sc1cc(cc(c1)Br)N 62a_200025704644_100009814763 [1,1,0,0,0,0|1,1,0]=4 3465 B10R1.8 [13CH3]Sc1cc(cc(c1)Br)O 62a_100010068917_200025704644 [1,1,0,0,0,0|0,1,0]=3 3466 B10R1.8 [13CH3]Sc1cc(cc(c1)Br)O 62a_200025704644_100010068917 [1,1,0,0,0,0|0,1,0]=3 3467 B10R1.8 [13CH3]Sc1cc(cc(c1)Cl)Cl 62a_100000747138_200025704644 [1,1,0,0,0,0|1,1,0]=4 3468 B10R1.8 [13CH3]Sc1cc(cc(c1)Cl)Cl 62a_200025704644_100000747138 [1,1,0,0,0,0|1,1,0]=4 3469 B10R1.8 [13CH3]Sc1cc(cc(c1)Cl)F 62a_100013859453_200025704644 [1,1,0,0,0,0|1,1,0]=4 3470 B10R1.8 [13CH3]Sc1cc(cc(c1)Cl)F 62a_200025704644_100013859453 [1,1,0,0,0,0|1,1,0]=4 3471 B10R1.8 [13CH3]Sc1cc(cc(c1)Cl)N 62a_100010147676_200025704644 [1,1,0,0,0,0|1,1,0]=4 3472 B10R1.8 [13CH3]Sc1cc(cc(c1)Cl)N 62a_200025704644_100010147676 [1,1,0,0,0,0|1,1,0]=4 3473 B10R1.8 [13CH3]Sc1cc(cc(c1)Cl)O 62a_100010068924_200025704644 [1,1,0,0,0,0|0,1,0]=3 3474 B10R1.8 [13CH3]Sc1cc(cc(c1)Cl)O 62a_200025704644_100010068924 [1,1,0,0,0,0|0,1,0]=3 3475 B10R1.8 [13CH3]Sc1cc(cc(c1)F)F 62a_100000233788_200025704644 [1,1,0,0,0,0|1,1,0]=4 3476 B10R1.8 [13CH3]Sc1cc(cc(c1)F)F 62a_200025704644_100000233788 [1,1,0,0,0,0|1,1,0]=4 3477 B10R1.8 [13CH3]Sc1cc(cc(c1)F)N 62a_100011356972_200025704644 [1,1,0,0,0,0|1,1,0]=4 3478 B10R1.8 [13CH3]Sc1cc(cc(c1)F)N 62a_200025704644_100011356972 [1,1,0,0,0,0|1,1,0]=4 3479 B10R1.8 [13CH3]Sc1cc(cc(c1)F)O 62a_100000688818_200025704644 [1,1,0,0,0,0|0,1,0]=3 3480 B10R1.8 [13CH3]Sc1cc(cc(c1)F)O 62a_200025704644_100000688818 [1,1,0,0,0,0|0,1,0]=3 3481 B10R1.8 [13CH3]Sc1cc(cc(c1)N)N 62a_100011999608_200025704644 [1,1,0,0,0,0|1,1,0]=4 3482 B10R1.8 [13CH3]Sc1cc(cc(c1)N)N 62a_200025704644_100011999608 [1,1,0,0,0,0|1,1,0]=4 3483 B10R1.8 [13CH3]Sc1cc(cc(c1)O)O 62a_200025704644_100009868816 [1,1,0,0,0,0|0,1,0]=3 3484 B10R1.8 [13CH3]Sc1cc(cc(n1)O)N 62a_200025704644_200012179554 [1,1,0,0,0,0|1,1,0]=4 3485 B10R1.10 C=C=Cc1cccc(c1)C 271570a_100015277604_100011215228 [1,1,0,0,0,0|1,0,1]=4 3486 B10R1.10 C=C=Cc1cccc(c1)O 271570a_100015277604_100000211634 [1,1,0,0,0,0|1,0,1]=4 3487 B10R1.10 C=CCc1cccc(c1)O 271570a_203496583355_100009816576 [1,1,0,0,0,0|1,0,1]=4 3488 B10R1.10 CC#Cc1cccc(c1)O 271570a_203496583355_200009843338 [1,1,0,0,0,0|1,0,0]=3 3489 B10R1.10 CC=Cc1cc(ccn1)C 271570a_100016259895_100000750283 [1,1,0,0,0,0|2,0,0]=4 3490 B10R1.10 CC=Cc1cc(ccn1)O 271570a_100016259895_100000762945 [1,1,0,0,0,0|2,0,0]=4 3491 B10R1.10 CC=Cc1ccc[n+](c1)C 271570a_100016259895_100009996589 [1,1,0,0,0,0|2,0,0]=4 3492 B10R1.10 CC=Cc1cccc(c1)Br 271570a_100016259895_100000691529 [1,1,0,0,0,0|2,0,0]=4 3493 B10R1.10 CC=Cc1cccc(c1)C 271570a_100016259895_100011215228 [1,1,0,0,0,0|1,0,0]=3 3494 B10R1.10 CC=Cc1cccc(c1)Cl 271570a_100016259895_100000699651 [1,1,0,0,0,0|2,0,0]=4 3495 B10R1.10 CC=Cc1cccc(c1)F 271570a_100016259895_100000685547 [1,1,0,0,0,0|2,0,0]=4 3496 B10R1.10 CC=Cc1cccc(c1)N 271570a_100016259895_100000210019 [1,1,0,0,0,0|2,0,0]=4 3497 B10R1.10 CC=Cc1cccc(c1)O 271570a_100016259895_100000211634 [1,1,0,0,0,0|1,0,0]=3 3498 B10R1.10 CC=Cc1cccc(c1)[S] 271570a_100016259895_114929384022 [1,1,0,0,0,0|1,1,0]=4 3499 B10R1.10 CC=Cc1cccc(n1)C 271570a_100016259895_100000742759 [1,1,0,0,0,0|2,0,0]=4 3500 B10R1.10 CC=Cc1ccnc(c1)C 271570a_100016259895_100000758586 [1,1,0,0,0,0|2,0,0]=4 3501 B10R1.10 CC=Cc1cncc(c1)C 271570a_100016259895_100000760492 [1,1,0,0,0,0|2,0,0]=4 3502 B10R1.10 CC=Cc1cncc(c1)O 271570a_100016259895_100000754920 [1,1,0,0,0,0|2,0,0]=4 3503 B10R1.10 CCCc1cccc(c1)O 271570a_203496583355_100000694964 [1,1,0,0,0,0|1,0,0]=3 3504 B10R1.10 CCNc1cccc(c1)Br 34a_100000210019_100000210202 [1,1,0,0,0,0|2,0,0]=4 3505 B10R1.10 CCNc1cccc(c1)C 2230a_100000188690_100000210202 [1,1,0,0,0,0|1,0,0]=3 3506 B10R1.10 CCNc1cccc(c1)C 34a_100000188690_100000210202 [1,1,0,0,0,0|1,0,0]=3 3507 B10R1.10 CCNc1cccc(c1)Cl 34a_100000185859_100000210202 [1,1,0,0,0,0|2,0,0]=4 3508 B10R1.10 CCNc1cccc(c1)F 34a_100000210047_100000210202 [1,1,0,0,0,0|2,0,0]=4 3509 B10R1.10 CCNc1cccc(c1)I 34a_100000211102_100000210202 [1,1,0,0,0,0|2,0,0]=4 3510 B10R1.10 CCNc1cccc(c1)O 271570a_203496583355_100000738899 [1,1,0,0,0,0|1,0,0]=3 3511 B10R1.10 CCNc1cccc(c1)O 34a_100000210217_100000210202 [1,1,0,0,0,0|1,0,0]=3 3512 B10R1.10 CCNc1cccc(n1)O 271570a_203496583355_200020678610 [1,1,0,0,0,0|2,0,0]=4 3513 B10R1.10 CCNc1ccnc(c1)C 27a_100015525214_100000758586 [1,1,0,0,0,0|2,0,0]=4 3514 B10R1.10 CCOc1cc(ccn1)O 271570a_203496583355_100009995528 [1,1,0,0,0,0|1,0,0]=3 3515 B10R1.10 CCOc1cc(cnn1)C 34a_100000766097_100000210202 [1,1,0,0,0,0|2,0,0]=4 3516 B10R1.10 CCOc1cc(ncn1)O 271570a_203496583355_100000765465 [1,1,0,0,0,0|2,0,0]=4 3517 B10R1.10 CCOc1cc[nH]c(=O)c1 34a_100000032262_100000210202 [1,1,0,0,0,0|1,0,1]=4 3518 B10R1.10 CCOc1ccc[n+](c1)[O-] 34a_100000039713_100000210202 [1,1,0,0,0,0|1,0,1]=4 3519 B10R1.10 CCOc1ccc[n+](c1)[O-] 7a_100000039713_100000210202 [1,1,0,0,0,0|1,0,1]=4 3520 B10R1.10 CCOc1cccc(=O)[nH]1 34a_100000033347_100000210202 [1,1,0,0,0,0|1,0,1]=4 3521 B10R1.10 CCOc1cccc(c1)Br 34a_100000210342_100000210202 [1,1,0,0,0,0|1,0,0]=3 3522 B10R1.10 CCOc1cccc(c1)Br 7a_100000210342_100000210202 [1,1,0,0,0,0|1,0,0]=3 3523 B10R1.10 CCOc1cccc(c1)C 34a_100000210337_100000210202 [1,1,0,0,0,0|0,0,0]=2 3524 B10R1.10 CCOc1cccc(c1)C 7a_100000210337_100000210202 [1,1,0,0,0,0|0,0,0]=2 3525 B10R1.10 CCOc1cccc(c1)Cl 34a_100000210295_100000210202 [1,1,0,0,0,0|1,0,0]=3 3526 B10R1.10 CCOc1cccc(c1)Cl 7a_100000210295_100000210202 [1,1,0,0,0,0|1,0,0]=3 3527 B10R1.10 CCOc1cccc(c1)F 34a_100000210426_100000210202 [1,1,0,0,0,0|1,0,0]=3 3528 B10R1.10 CCOc1cccc(c1)F 7a_100000210426_100000210202 [1,1,0,0,0,0|1,0,0]=3 3529 B10R1.10 CCOc1cccc(c1)I 34a_100000211634_100000210202 [1,1,0,0,0,0|1,0,0]=3 3530 B10R1.10 CCOc1cccc(c1)I 7a_100000211634_100000210202 [1,1,0,0,0,0|1,0,0]=3 3531 B10R1.10 CCOc1cccc(c1)N 34a_100000210217_100000210202 [1,1,0,0,0,0|1,0,0]=3 3532 B10R1.10 CCOc1cccc(c1)O 271570a_203496583355_100000170002 [1,1,0,0,0,0|0,0,0]=2 3533 B10R1.10 CCOc1cccc(n1)F 34a_100011432558_100000210202 [1,1,0,0,0,0|2,0,0]=4 3534 B10R1.10 CCOc1cccc(n1)O 271570a_203496583355_100000752924 [1,1,0,0,0,0|1,0,0]=3 3535 B10R1.10 CCOc1ccnc(c1)C 34a_100000688365_100000210202 [1,1,0,0,0,0|1,0,0]=3 3536 B10R1.10 CCOc1ccnc(c1)Cl 34a_100000762945_100000210202 [1,1,0,0,0,0|2,0,0]=4 3537 B10R1.10 CCOc1ccnc(c1)F 34a_100000732698_100000210202 [1,1,0,0,0,0|2,0,0]=4 3538 B10R1.10 CCOc1ccnc(c1)N 34a_100011834064_100000210202 [1,1,0,0,0,0|2,0,0]=4 3539 B10R1.10 CCOc1ccnc(c1)O 271570a_203496583355_100011922638 [1,1,0,0,0,0|1,0,0]=3 3540 B10R1.10 CCOc1ccnc(n1)O 271570a_203496583355_100011649779 [1,1,0,0,0,0|2,0,0]=4 3541 B10R1.10 CCOc1cncc(c1)Br 34a_100000754920_100000210202 [1,1,0,0,0,0|2,0,0]=4 3542 B10R1.10 CCOc1cncc(c1)Br 7a_100000754920_100000210202 [1,1,0,0,0,0|2,0,0]=4 3543 B10R1.10 CCOc1cncc(c1)C 34a_100011830280_100000210202 [1,1,0,0,0,0|1,0,0]=3 3544 B10R1.10 CCOc1cncc(c1)C 7a_100011830280_100000210202 [1,1,0,0,0,0|1,0,0]=3 3545 B10R1.10 CCOc1cncc(c1)Cl 7a_100000032511_100000210202 [1,1,0,0,0,0|2,0,0]=4 3546 B10R1.10 CCOc1cncc(c1)F 34a_100011830296_100000210202 [1,1,0,0,0,0|2,0,0]=4 3547 B10R1.10 CCOc1cncc(c1)F 7a_100011830296_100000210202 [1,1,0,0,0,0|2,0,0]=4 3548 B10R1.10 CCOc1cncc(c1)N 34a_100011997051_100000210202 [1,1,0,0,0,0|2,0,0]=4 3549 B10R1.10 CCOc1cncc(c1)O 271570a_203496583355_100012029586 [1,1,0,0,0,0|1,0,0]=3 3550 B10R1.10 CCOc1cncc(n1)O 271570a_203496583355_100000757043 [1,1,0,0,0,0|2,0,0]=4 3551 B10R1.10 CCSc1cc(ccn1)C 62a_100000210202_100000750283 [1,1,0,0,0,0|1,1,0]=4 3552 B10R1.10 CCSc1cc(ccn1)C 62a_100000750283_100000210202 [1,1,0,0,0,0|1,1,0]=4 3553 B10R1.10 CCSc1cc(ccn1)O 62a_100000210202_100000762945 [1,1,0,0,0,0|1,1,0]=4 3554 B10R1.10 CCSc1ccc[n+](c1)C 62a_100000210202_100009996589 [1,1,0,0,0,0|1,1,0]=4 3555 B10R1.10 CCSc1ccc[n+](c1)C 62a_100009996589_100000210202 [1,1,0,0,0,0|1,1,0]=4 3556 B10R1.10 CCSc1cccc(c1)Br 62a_100000210202_100000691529 [1,1,0,0,0,0|1,1,0]=4 3557 B10R1.10 CCSc1cccc(c1)Br 62a_100000691529_100000210202 [1,1,0,0,0,0|1,1,0]=4 3558 B10R1.10 CCSc1cccc(c1)C 62a_100000210202_100011215228 [1,1,0,0,0,0|0,1,0]=3 3559 B10R1.10 CCSc1cccc(c1)C 62a_100011215228_100000210202 [1,1,0,0,0,0|0,1,0]=3 3560 B10R1.10 CCSc1cccc(c1)Cl 62a_100000210202_100000699651 [1,1,0,0,0,0|1,1,0]=4 3561 B10R1.10 CCSc1cccc(c1)Cl 62a_100000699651_100000210202 [1,1,0,0,0,0|1,1,0]=4 3562 B10R1.10 CCSc1cccc(c1)F 62a_100000210202_100000685547 [1,1,0,0,0,0|1,1,0]=4 3563 B10R1.10 CCSc1cccc(c1)F 62a_100000685547_100000210202 [1,1,0,0,0,0|1,1,0]=4 3564 B10R1.10 CCSc1cccc(c1)N 62a_100000210019_100000210202 [1,1,0,0,0,0|1,1,0]=4 3565 B10R1.10 CCSc1cccc(c1)N 62a_100000210202_100000210019 [1,1,0,0,0,0|1,1,0]=4 3566 B10R1.10 CCSc1cccc(c1)O 271570a_203496583355_100000703699 [1,1,0,0,0,0|0,1,0]=3 3567 B10R1.10 CCSc1cccc(c1)O 62a_100000210202_100000211634 [1,1,0,0,0,0|0,1,0]=3 3568 B10R1.10 CCSc1cccc(c1)[S] 62a_100000210202_114929384022 [1,1,0,0,0,0|0,2,0]=4 3569 B10R1.10 CCSc1cccc(c1)[S] 62a_114929384022_100000210202 [1,1,0,0,0,0|0,2,0]=4 3570 B10R1.10 CCSc1cccc(n1)C 62a_100000210202_100000742759 [1,1,0,0,0,0|1,1,0]=4 3571 B10R1.10 CCSc1cccc(n1)C 62a_100000742759_100000210202 [1,1,0,0,0,0|1,1,0]=4 3572 B10R1.10 CCSc1ccnc(c1)C 62a_100000210202_100000758586 [1,1,0,0,0,0|1,1,0]=4 3573 B10R1.10 CCSc1ccnc(c1)C 62a_100000758586_100000210202 [1,1,0,0,0,0|1,1,0]=4 3574 B10R1.10 CCSc1cncc(c1)C 62a_100000210202_100000760492 [1,1,0,0,0,0|1,1,0]=4 3575 B10R1.10 CCSc1cncc(c1)C 62a_100000760492_100000210202 [1,1,0,0,0,0|1,1,0]=4 3576 B10R1.10 CCSc1cncc(c1)O 62a_100000210202_100000754920 [1,1,0,0,0,0|1,1,0]=4 3577 B10R1.10 CCSc1cncc(c1)O 62a_100000754920_100000210202 [1,1,0,0,0,0|1,1,0]=4 3578 B10R1.10 CNCc1cc(ccn1)C 207a_100102657272_100011361488 [1,1,0,0,0,0|2,0,0]=4 3579 B10R1.10 CNCc1cc(ccn1)C 2230a_106832991635_100000718516 [1,1,0,0,0,0|2,0,0]=4 3580 B10R1.10 CNCc1cc(ccn1)C 270004a_106832991635_100011361488 [1,1,0,0,0,0|2,0,0]=4 3581 B10R1.10 CNCc1cc(ccn1)C 34a_100102657272_100000718516 [1,1,0,0,0,0|2,0,0]=4 3582 B10R1.10 CNCc1cc(ccn1)C 7a_106832991635_100000718516 [1,1,0,0,0,0|2,0,0]=4 3583 B10R1.10 CNCc1cc(ccn1)O 271570a_203496583355_100102954512 [1,1,0,0,0,0|2,0,0]=4 3584 B10R1.10 CNCc1cccc(c1)Br 207a_100102657272_100000210085 [1,1,0,0,0,0|2,0,0]=4 3585 B10R1.10 CNCc1cccc(c1)Br 2230a_100000174977_200000210301 [1,1,0,0,0,0|2,0,0]=4 3586 B10R1.10 CNCc1cccc(c1)Br 2230a_106832991635_100000698116 [1,1,0,0,0,0|2,0,0]=4 3587 B10R1.10 CNCc1cccc(c1)Br 26a_100102657272_100000210342 [1,1,0,0,0,0|2,0,0]=4 3588 B10R1.10 CNCc1cccc(c1)Br 270004a_106832991635_100000210085 [1,1,0,0,0,0|2,0,0]=4 3589 B10R1.10 CNCc1cccc(c1)Br 34a_100000174977_200000210301 [1,1,0,0,0,0|2,0,0]=4 3590 B10R1.10 CNCc1cccc(c1)Br 34a_100102657272_100000698116 [1,1,0,0,0,0|2,0,0]=4 3591 B10R1.10 CNCc1cccc(c1)Br 7a_106832991635_100000211773 [1,1,0,0,0,0|2,0,0]=4 3592 B10R1.10 CNCc1cccc(c1)C 207a_100102657272_100000211157 [1,1,0,0,0,0|1,0,0]=3 3593 B10R1.10 CNCc1cccc(c1)C 2230a_100000185548_200000210301 [1,1,0,0,0,0|1,0,0]=3 3594 B10R1.10 CNCc1cccc(c1)C 2230a_106832991635_100000211840 [1,1,0,0,0,0|1,0,0]=3 3595 B10R1.10 CNCc1cccc(c1)C 270004a_106832991635_100000211157 [1,1,0,0,0,0|1,0,0]=3 3596 B10R1.10 CNCc1cccc(c1)C 34a_100000185548_200000210301 [1,1,0,0,0,0|1,0,0]=3 3597 B10R1.10 CNCc1cccc(c1)C 34a_100102657272_100000211840 [1,1,0,0,0,0|1,0,0]=3 3598 B10R1.10 CNCc1cccc(c1)C 7a_106832991635_100000211840 [1,1,0,0,0,0|1,0,0]=3 3599 B10R1.10 CNCc1cccc(c1)Cl 207a_100102657272_100000210801 [1,1,0,0,0,0|2,0,0]=4 3600 B10R1.10 CNCc1cccc(c1)Cl 2230a_100000174878_200000210301 [1,1,0,0,0,0|2,0,0]=4 3601 B10R1.10 CNCc1cccc(c1)Cl 2230a_106832991635_100000181238 [1,1,0,0,0,0|2,0,0]=4 3602 B10R1.10 CNCc1cccc(c1)Cl 270004a_106832991635_100000210801 [1,1,0,0,0,0|2,0,0]=4 3603 B10R1.10 CNCc1cccc(c1)Cl 34a_100000174878_200000210301 [1,1,0,0,0,0|2,0,0]=4 3604 B10R1.10 CNCc1cccc(c1)Cl 34a_100102657272_100000187163 [1,1,0,0,0,0|2,0,0]=4 3605 B10R1.10 CNCc1cccc(c1)Cl 7a_106832991635_100000187163 [1,1,0,0,0,0|2,0,0]=4 3606 B10R1.10 CNCc1cccc(c1)F 207a_100102657272_100000210812 [1,1,0,0,0,0|2,0,0]=4 3607 B10R1.10 CNCc1cccc(c1)F 2230a_100000174948_200000210301 [1,1,0,0,0,0|2,0,0]=4 3608 B10R1.10 CNCc1cccc(c1)F 2230a_106832991635_100000230114 [1,1,0,0,0,0|2,0,0]=4 3609 B10R1.10 CNCc1cccc(c1)F 270004a_106832991635_100000210812 [1,1,0,0,0,0|2,0,0]=4 3610 B10R1.10 CNCc1cccc(c1)F 34a_100000174948_200000210301 [1,1,0,0,0,0|2,0,0]=4 3611 B10R1.10 CNCc1cccc(c1)F 34a_100102657272_100000187166 [1,1,0,0,0,0|2,0,0]=4 3612 B10R1.10 CNCc1cccc(c1)F 7a_106832991635_100000230114 [1,1,0,0,0,0|2,0,0]=4 3613 B10R1.10 CNCc1cccc(c1)I 207a_100102657272_100000014684 [1,1,0,0,0,0|2,0,0]=4 3614 B10R1.10 CNCc1cccc(c1)I 2230a_100000106179_200000210301 [1,1,0,0,0,0|2,0,0]=4 3615 B10R1.10 CNCc1cccc(c1)I 2230a_106832991635_100011218688 [1,1,0,0,0,0|2,0,0]=4 3616 B10R1.10 CNCc1cccc(c1)I 270004a_106832991635_100000014684 [1,1,0,0,0,0|2,0,0]=4 3617 B10R1.10 CNCc1cccc(c1)I 34a_100000106179_200000210301 [1,1,0,0,0,0|2,0,0]=4 3618 B10R1.10 CNCc1cccc(c1)I 34a_100102657272_100011218688 [1,1,0,0,0,0|2,0,0]=4 3619 B10R1.10 CNCc1cccc(c1)I 7a_106832991635_100011218688 [1,1,0,0,0,0|2,0,0]=4 3620 B10R1.10 CNCc1cccc(c1)O 207a_100102657272_100000188321 [1,1,0,0,0,0|1,0,0]=3 3621 B10R1.10 CNCc1cccc(c1)O 2230a_100000743036_200000210301 [1,1,0,0,0,0|1,0,0]=3 3622 B10R1.10 CNCc1cccc(c1)O 2230a_106832991635_100011660834 [1,1,0,0,0,0|1,0,0]=3 3623 B10R1.10 CNCc1cccc(c1)O 270004a_106832991635_100000188321 [1,1,0,0,0,0|1,0,0]=3 3624 B10R1.10 CNCc1cccc(c1)O 271570a_203496583355_100000187585 [1,1,0,0,0,0|1,0,0]=3 3625 B10R1.10 CNCc1cccc(c1)O 34a_100000743036_200000210301 [1,1,0,0,0,0|1,0,0]=3 3626 B10R1.10 CNCc1cccc(c1)O 34a_100102657272_100011660834 [1,1,0,0,0,0|1,0,0]=3 3627 B10R1.10 CNCc1cccc(c1)O 7a_106832991635_100000084143 [1,1,0,0,0,0|1,0,0]=3 3628 B10R1.10 CNCc1cccc(n1)C 207a_100102657272_100011215050 [1,1,0,0,0,0|2,0,0]=4 3629 B10R1.10 CNCc1cccc(n1)C 2230a_106832991635_100000757606 [1,1,0,0,0,0|2,0,0]=4 3630 B10R1.10 CNCc1cccc(n1)C 270004a_106832991635_100011215050 [1,1,0,0,0,0|2,0,0]=4 3631 B10R1.10 CNCc1cccc(n1)C 34a_100000701342_200000210301 [1,1,0,0,0,0|2,0,0]=4 3632 B10R1.10 CNCc1cccc(n1)C 34a_100102657272_100000757606 [1,1,0,0,0,0|2,0,0]=4 3633 B10R1.10 CNCc1cccc(n1)C 7a_106832991635_100000757606 [1,1,0,0,0,0|2,0,0]=4 3634 B10R1.10 CNCc1cccc(n1)O 271570a_203496583355_106354212997 [1,1,0,0,0,0|2,0,0]=4 3635 B10R1.10 CNCc1ccnc(c1)C 207a_100102657272_100011361630 [1,1,0,0,0,0|2,0,0]=4 3636 B10R1.10 CNCc1ccnc(c1)C 2230a_106832991635_200020672517 [1,1,0,0,0,0|2,0,0]=4 3637 B10R1.10 CNCc1ccnc(c1)C 270004a_106832991635_100011361630 [1,1,0,0,0,0|2,0,0]=4 3638 B10R1.10 CNCc1ccnc(c1)C 34a_100011934566_200000210301 [1,1,0,0,0,0|2,0,0]=4 3639 B10R1.10 CNCc1ccnc(c1)C 34a_100102657272_200020672517 [1,1,0,0,0,0|2,0,0]=4 3640 B10R1.10 CNCc1ccnc(c1)C 7a_106832991635_200020672517 [1,1,0,0,0,0|2,0,0]=4 3641 B10R1.10 CNCc1ccnc(c1)O 207a_100102657272_100000688113 [1,1,0,0,0,0|2,0,0]=4 3642 B10R1.10 CNCc1cncc(c1)C 207a_100102657272_100011998712 [1,1,0,0,0,0|2,0,0]=4 3643 B10R1.10 CNCc1cncc(c1)C 2230a_100000692839_200000210301 [1,1,0,0,0,0|2,0,0]=4 3644 B10R1.10 CNCc1cncc(c1)C 2230a_106832991635_100000716715 [1,1,0,0,0,0|2,0,0]=4 3645 B10R1.10 CNCc1cncc(c1)C 270004a_106832991635_100011998712 [1,1,0,0,0,0|2,0,0]=4 3646 B10R1.10 CNCc1cncc(c1)C 34a_100000692839_200000210301 [1,1,0,0,0,0|2,0,0]=4 3647 B10R1.10 CNCc1cncc(c1)C 34a_100102657272_100000716715 [1,1,0,0,0,0|2,0,0]=4 3648 B10R1.10 CNCc1cncc(c1)C 7a_106832991635_100000716715 [1,1,0,0,0,0|2,0,0]=4 3649 B10R1.10 CNCc1cncc(c1)O 207a_100102657272_100012187055 [1,1,0,0,0,0|2,0,0]=4 3650 B10R1.10 CNCc1cncc(c1)O 270004a_106832991635_100012187055 [1,1,0,0,0,0|2,0,0]=4 3651 B10R1.10 CNCc1cncc(c1)O 271570a_203496583355_103549770560 [1,1,0,0,0,0|2,0,0]=4 3652 B10R1.10 COCc1cc(ccn1)Br 34a_100138415774_100010173614 [1,1,0,0,0,0|2,0,0]=4 3653 B10R1.10 COCc1cc(ccn1)C 34a_100011998357_200000210301 [1,1,0,0,0,0|1,0,0]=3 3654 B10R1.10 COCc1cc(ccn1)C 34a_100138415774_100000718516 [1,1,0,0,0,0|1,0,0]=3 3655 B10R1.10 COCc1cc(ccn1)Cl 34a_100000748867_200000210301 [1,1,0,0,0,0|2,0,0]=4 3656 B10R1.10 COCc1cc(ccn1)Cl 34a_100138415774_100016988179 [1,1,0,0,0,0|2,0,0]=4 3657 B10R1.10 COCc1cc(ccn1)N 34a_100000692640_200000210301 [1,1,0,0,0,0|2,0,0]=4 3658 B10R1.10 COCc1cc(cnn1)C 34a_100016212594_200000210301 [1,1,0,0,0,0|2,0,0]=4 3659 B10R1.10 COCc1cc(ncn1)O 271570a_203496583355_100000688101 [1,1,0,0,0,0|2,0,0]=4 3660 B10R1.10 COCc1ccc[n+](c1)[O-] 34a_100000037817_200000210301 [1,1,0,0,0,0|1,0,1]=4 3661 B10R1.10 COCc1ccc[n+](c1)[O-] 7a_100000037817_200000210301 [1,1,0,0,0,0|1,0,1]=4 3662 B10R1.10 COCc1cccc(c1)Br 34a_100000687537_200000210301 [1,1,0,0,0,0|1,0,0]=3 3663 B10R1.10 COCc1cccc(c1)Br 34a_100138415774_100000698116 [1,1,0,0,0,0|1,0,0]=3 3664 B10R1.10 COCc1cccc(c1)Br 7a_100000687537_200000210301 [1,1,0,0,0,0|1,0,0]=3 3665 B10R1.10 COCc1cccc(c1)C 34a_100011217746_200000210301 [1,1,0,0,0,0|0,0,0]=2 3666 B10R1.10 COCc1cccc(c1)C 34a_100138415774_100000211840 [1,1,0,0,0,0|0,0,0]=2 3667 B10R1.10 COCc1cccc(c1)C 7a_100011217746_200000210301 [1,1,0,0,0,0|0,0,0]=2 3668 B10R1.10 COCc1cccc(c1)Cl 34a_100000241301_200000210301 [1,1,0,0,0,0|1,0,0]=3 3669 B10R1.10 COCc1cccc(c1)Cl 34a_100138415774_100000187163 [1,1,0,0,0,0|1,0,0]=3 3670 B10R1.10 COCc1cccc(c1)Cl 7a_100000241301_200000210301 [1,1,0,0,0,0|1,0,0]=3 3671 B10R1.10 COCc1cccc(c1)F 34a_100000210976_200000210301 [1,1,0,0,0,0|1,0,0]=3 3672 B10R1.10 COCc1cccc(c1)F 34a_100138415774_100000187166 [1,1,0,0,0,0|1,0,0]=3 3673 B10R1.10 COCc1cccc(c1)F 7a_100000210976_200000210301 [1,1,0,0,0,0|1,0,0]=3 3674 B10R1.10 COCc1cccc(c1)I 34a_100011215336_200000210301 [1,1,0,0,0,0|1,0,0]=3 3675 B10R1.10 COCc1cccc(c1)I 34a_100138415774_100011218688 [1,1,0,0,0,0|1,0,0]=3 3676 B10R1.10 COCc1cccc(c1)I 7a_100011215336_200000210301 [1,1,0,0,0,0|1,0,0]=3 3677 B10R1.10 COCc1cccc(c1)N 34a_100000211919_200000210301 [1,1,0,0,0,0|1,0,0]=3 3678 B10R1.10 COCc1cccc(c1)O 271570a_203496583355_100011493687 [1,1,0,0,0,0|0,0,0]=2 3679 B10R1.10 COCc1cccc(c1)O 34a_100138415774_100011660834 [1,1,0,0,0,0|0,0,0]=2 3680 B10R1.10 COCc1cccc(n1)Br 34a_100000694195_200000210301 [1,1,0,0,0,0|2,0,0]=4 3681 B10R1.10 COCc1cccc(n1)Br 34a_100138415774_100009889011 [1,1,0,0,0,0|2,0,0]=4 3682 B10R1.10 COCc1cccc(n1)C 34a_100000690600_200000210301 [1,1,0,0,0,0|1,0,0]=3 3683 B10R1.10 COCc1cccc(n1)C 34a_100138415774_100000757606 [1,1,0,0,0,0|1,0,0]=3 3684 B10R1.10 COCc1cccc(n1)Cl 34a_100011998359_200000210301 [1,1,0,0,0,0|2,0,0]=4 3685 B10R1.10 COCc1cccc(n1)Cl 34a_100138415774_100000086093 [1,1,0,0,0,0|2,0,0]=4 3686 B10R1.10 COCc1cccc(n1)F 34a_100000086748_200000210301 [1,1,0,0,0,0|2,0,0]=4 3687 B10R1.10 COCc1cccc(n1)F 34a_100138415774_100009819644 [1,1,0,0,0,0|2,0,0]=4 3688 B10R1.10 COCc1ccnc(c1)Br 34a_100009814636_200000210301 [1,1,0,0,0,0|2,0,0]=4 3689 B10R1.10 COCc1ccnc(c1)Br 34a_100138415774_100010243470 [1,1,0,0,0,0|2,0,0]=4 3690 B10R1.10 COCc1ccnc(c1)Br 7a_100009814636_200000210301 [1,1,0,0,0,0|2,0,0]=4 3691 B10R1.10 COCc1ccnc(c1)C 34a_100011998630_200000210301 [1,1,0,0,0,0|1,0,0]=3 3692 B10R1.10 COCc1ccnc(c1)C 34a_100138415774_200020672517 [1,1,0,0,0,0|1,0,0]=3 3693 B10R1.10 COCc1ccnc(c1)Cl 34a_100000748751_200000210301 [1,1,0,0,0,0|2,0,0]=4 3694 B10R1.10 COCc1ccnc(c1)Cl 34a_100138415774_100000764220 [1,1,0,0,0,0|2,0,0]=4 3695 B10R1.10 COCc1ccnc(c1)F 34a_100000082451_200000210301 [1,1,0,0,0,0|2,0,0]=4 3696 B10R1.10 COCc1cncc(c1)Br 34a_100011259137_200000210301 [1,1,0,0,0,0|2,0,0]=4 3697 B10R1.10 COCc1cncc(c1)Br 34a_100138415774_100000738771 [1,1,0,0,0,0|2,0,0]=4 3698 B10R1.10 COCc1cncc(c1)Br 7a_100011259137_200000210301 [1,1,0,0,0,0|2,0,0]=4 3699 B10R1.10 COCc1cncc(c1)C 34a_100011998709_200000210301 [1,1,0,0,0,0|1,0,0]=3 3700 B10R1.10 COCc1cncc(c1)C 34a_100138415774_100000716715 [1,1,0,0,0,0|1,0,0]=3 3701 B10R1.10 COCc1cncc(c1)C 7a_100011998709_200000210301 [1,1,0,0,0,0|1,0,0]=3 3702 B10R1.10 COCc1cncc(c1)Cl 34a_100000092867_200000210301 [1,1,0,0,0,0|2,0,0]=4 3703 B10R1.10 COCc1cncc(c1)Cl 34a_100138415774_100016992070 [1,1,0,0,0,0|2,0,0]=4 3704 B10R1.10 COCc1cncc(c1)Cl 7a_100000092867_200000210301 [1,1,0,0,0,0|2,0,0]=4 3705 B10R1.10 COCc1cncc(c1)F 34a_100011962875_200000210301 [1,1,0,0,0,0|2,0,0]=4 3706 B10R1.10 COCc1cncc(c1)F 34a_100138415774_100000725299 [1,1,0,0,0,0|2,0,0]=4 3707 B10R1.10 COCc1cncc(c1)F 7a_100011962875_200000210301 [1,1,0,0,0,0|2,0,0]=4 3708 B10R1.10 COCc1cncc(c1)N 34a_100000085308_200000210301 [1,1,0,0,0,0|2,0,0]=4 3709 B10R1.10 CSCc1cc(ccn1)C 62a_100000718516_200000210301 [1,1,0,0,0,0|1,1,0]=4 3710 B10R1.10 CSCc1cc(ccn1)C 62a_200000210301_100000718516 [1,1,0,0,0,0|1,1,0]=4 3711 B10R1.10 CSCc1cccc(c1)Br 62a_100000211773_200000210301 [1,1,0,0,0,0|1,1,0]=4 3712 B10R1.10 CSCc1cccc(c1)Br 62a_200000210301_100000211773 [1,1,0,0,0,0|1,1,0]=4 3713 B10R1.10 CSCc1cccc(c1)C 62a_100000211840_200000210301 [1,1,0,0,0,0|0,1,0]=3 3714 B10R1.10 CSCc1cccc(c1)C 62a_200000210301_100000211840 [1,1,0,0,0,0|0,1,0]=3 3715 B10R1.10 CSCc1cccc(c1)Cl 62a_100000187163_200000210301 [1,1,0,0,0,0|1,1,0]=4 3716 B10R1.10 CSCc1cccc(c1)Cl 62a_200000210301_100000187163 [1,1,0,0,0,0|1,1,0]=4 3717 B10R1.10 CSCc1cccc(c1)F 62a_100000230114_200000210301 [1,1,0,0,0,0|1,1,0]=4 3718 B10R1.10 CSCc1cccc(c1)F 62a_200000210301_100000230114 [1,1,0,0,0,0|1,1,0]=4 3719 B10R1.10 CSCc1cccc(c1)I 62a_100011218688_200000210301 [1,1,0,0,0,0|1,1,0]=4 3720 B10R1.10 CSCc1cccc(c1)I 62a_200000210301_100011218688 [1,1,0,0,0,0|1,1,0]=4 3721 B10R1.10 CSCc1cccc(c1)O 62a_100011660834_200000210301 [1,1,0,0,0,0|0,1,0]=3 3722 B10R1.10 CSCc1cccc(c1)O 62a_200000210301_100011660834 [1,1,0,0,0,0|0,1,0]=3 3723 B10R1.10 CSCc1cccc(n1)C 62a_100000757606_200000210301 [1,1,0,0,0,0|1,1,0]=4 3724 B10R1.10 CSCc1cccc(n1)C 62a_200000210301_100000757606 [1,1,0,0,0,0|1,1,0]=4 3725 B10R1.10 CSCc1ccnc(c1)C 62a_200000210301_200020672517 [1,1,0,0,0,0|1,1,0]=4 3726 B10R1.10 CSCc1ccnc(c1)C 62a_200020672517_200000210301 [1,1,0,0,0,0|1,1,0]=4 3727 B10R1.10 CSCc1cncc(c1)C 62a_100000716715_200000210301 [1,1,0,0,0,0|1,1,0]=4 3728 B10R1.10 CSCc1cncc(c1)C 62a_200000210301_100000716715 [1,1,0,0,0,0|1,1,0]=4 3729 B10R1.10 C[n+]1cccc(c1)SCF 62a_100009996589_100015361967 [1,1,0,0,0,0|1,1,0]=4 3730 B10R1.10 C[n+]1cccc(c1)SCF 62a_100015361967_100009996589 [1,1,0,0,0,0|1,1,0]=4 3731 B10R1.10 Cc1cc(ccn1)CN[13CH3] 34a_100011934566_200025704644 [1,1,0,0,0,0|2,0,0]=4 3732 B10R1.10 Cc1cc(ccn1)CO[13CH3] 34a_100011998630_200025704644 [1,1,0,0,0,0|1,0,0]=3 3733 B10R1.10 Cc1cc(ccn1)CS[13CH3] 62a_200020672517_200025704644 [1,1,0,0,0,0|1,1,0]=4 3734 B10R1.10 Cc1cc(ccn1)CS[13CH3] 62a_200025704644_200020672517 [1,1,0,0,0,0|1,1,0]=4 3735 B10R1.10 Cc1cc(ccn1)OCF 34a_100000688365_100015361967 [1,1,0,0,0,0|1,0,0]=3 3736 B10R1.10 Cc1cc(ccn1)SCF 62a_100000758586_100015361967 [1,1,0,0,0,0|1,1,0]=4 3737 B10R1.10 Cc1cc(ccn1)SCF 62a_100015361967_100000758586 [1,1,0,0,0,0|1,1,0]=4 3738 B10R1.10 Cc1cccc(c1)CN[13CH3] 2230a_100000185548_200025704644 [1,1,0,0,0,0|1,0,0]=3 3739 B10R1.10 Cc1cccc(c1)CN[13CH3] 34a_100000185548_200025704644 [1,1,0,0,0,0|1,0,0]=3 3740 B10R1.10 Cc1cccc(c1)CO[13CH3] 34a_100011217746_200025704644 [1,1,0,0,0,0|0,0,0]=2 3741 B10R1.10 Cc1cccc(c1)CO[13CH3] 7a_100011217746_200025704644 [1,1,0,0,0,0|0,0,0]=2 3742 B10R1.10 Cc1cccc(c1)CS[13CH3] 62a_100000211840_200025704644 [1,1,0,0,0,0|0,1,0]=3 3743 B10R1.10 Cc1cccc(c1)CS[13CH3] 62a_200025704644_100000211840 [1,1,0,0,0,0|0,1,0]=3 3744 B10R1.10 Cc1cccc(c1)NCF 34a_100000188690_100015361967 [1,1,0,0,0,0|1,0,0]=3 3745 B10R1.10 Cc1cccc(c1)OCF 34a_100000210337_100015361967 [1,1,0,0,0,0|0,0,0]=2 3746 B10R1.10 Cc1cccc(c1)OCF 7a_100000210337_100015361967 [1,1,0,0,0,0|0,0,0]=2 3747 B10R1.10 Cc1cccc(c1)SCF 62a_100011215228_100015361967 [1,1,0,0,0,0|0,1,0]=3 3748 B10R1.10 Cc1cccc(c1)SCF 62a_100015361967_100011215228 [1,1,0,0,0,0|0,1,0]=3 3749 B10R1.10 Cc1cccc(n1)CN[13CH3] 34a_100000701342_200025704644 [1,1,0,0,0,0|2,0,0]=4 3750 B10R1.10 Cc1cccc(n1)CO[13CH3] 34a_100000690600_200025704644 [1,1,0,0,0,0|1,0,0]=3 3751 B10R1.10 Cc1cccc(n1)CS[13CH3] 62a_100000757606_200025704644 [1,1,0,0,0,0|1,1,0]=4 3752 B10R1.10 Cc1cccc(n1)CS[13CH3] 62a_200025704644_100000757606 [1,1,0,0,0,0|1,1,0]=4 3753 B10R1.10 Cc1cccc(n1)SCF 62a_100000742759_100015361967 [1,1,0,0,0,0|1,1,0]=4 3754 B10R1.10 Cc1cccc(n1)SCF 62a_100015361967_100000742759 [1,1,0,0,0,0|1,1,0]=4 3755 B10R1.10 Cc1ccnc(c1)CO[13CH3] 34a_100011998357_200025704644 [1,1,0,0,0,0|1,0,0]=3 3756 B10R1.10 Cc1ccnc(c1)CS[13CH3] 62a_100000718516_200025704644 [1,1,0,0,0,0|1,1,0]=4 3757 B10R1.10 Cc1ccnc(c1)CS[13CH3] 62a_200025704644_100000718516 [1,1,0,0,0,0|1,1,0]=4 3758 B10R1.10 Cc1ccnc(c1)SCF 62a_100000750283_100015361967 [1,1,0,0,0,0|1,1,0]=4 3759 B10R1.10 Cc1ccnc(c1)SCF 62a_100015361967_100000750283 [1,1,0,0,0,0|1,1,0]=4 3760 B10R1.10 Cc1cncc(c1)CN[13CH3] 2230a_100000692839_200025704644 [1,1,0,0,0,0|2,0,0]=4 3761 B10R1.10 Cc1cncc(c1)CN[13CH3] 34a_100000692839_200025704644 [1,1,0,0,0,0|2,0,0]=4 3762 B10R1.10 Cc1cncc(c1)CO[13CH3] 34a_100011998709_200025704644 [1,1,0,0,0,0|1,0,0]=3 3763 B10R1.10 Cc1cncc(c1)CO[13CH3] 7a_100011998709_200025704644 [1,1,0,0,0,0|1,0,0]=3 3764 B10R1.10 Cc1cncc(c1)CS[13CH3] 62a_100000716715_200025704644 [1,1,0,0,0,0|1,1,0]=4 3765 B10R1.10 Cc1cncc(c1)CS[13CH3] 62a_200025704644_100000716715 [1,1,0,0,0,0|1,1,0]=4 3766 B10R1.10 Cc1cncc(c1)OCF 34a_100011830280_100015361967 [1,1,0,0,0,0|1,0,0]=3 3767 B10R1.10 Cc1cncc(c1)OCF 7a_100011830280_100015361967 [1,1,0,0,0,0|1,0,0]=3 3768 B10R1.10 Cc1cncc(c1)SCF 62a_100000760492_100015361967 [1,1,0,0,0,0|1,1,0]=4 3769 B10R1.10 Cc1cncc(c1)SCF 62a_100015361967_100000760492 [1,1,0,0,0,0|1,1,0]=4 3770 B10R1.10 Cc1cnnc(c1)CO[13CH3] 34a_100016212594_200025704644 [1,1,0,0,0,0|2,0,0]=4 3771 B10R1.10 Cc1cnnc(c1)OCF 34a_100000766097_100015361967 [1,1,0,0,0,0|2,0,0]=4 3772 B10R1.10 FCNc1cccc(c1)Br 34a_100000210019_100015361967 [1,1,0,0,0,0|2,0,0]=4 3773 B10R1.10 FCNc1cccc(c1)Cl 34a_100000185859_100015361967 [1,1,0,0,0,0|2,0,0]=4 3774 B10R1.10 FCNc1cccc(c1)F 34a_100000210047_100015361967 [1,1,0,0,0,0|2,0,0]=4 3775 B10R1.10 FCNc1cccc(c1)I 34a_100000211102_100015361967 [1,1,0,0,0,0|2,0,0]=4 3776 B10R1.10 FCOc1cccc(c1)Br 34a_100000210342_100015361967 [1,1,0,0,0,0|1,0,0]=3 3777 B10R1.10 FCOc1cccc(c1)Br 7a_100000210342_100015361967 [1,1,0,0,0,0|1,0,0]=3 3778 B10R1.10 FCOc1cccc(c1)Cl 34a_100000210295_100015361967 [1,1,0,0,0,0|1,0,0]=3 3779 B10R1.10 FCOc1cccc(c1)Cl 7a_100000210295_100015361967 [1,1,0,0,0,0|1,0,0]=3 3780 B10R1.10 FCOc1cccc(c1)F 34a_100000210426_100015361967 [1,1,0,0,0,0|1,0,0]=3 3781 B10R1.10 FCOc1cccc(c1)F 7a_100000210426_100015361967 [1,1,0,0,0,0|1,0,0]=3 3782 B10R1.10 FCOc1cccc(c1)I 34a_100000211634_100015361967 [1,1,0,0,0,0|1,0,0]=3 3783 B10R1.10 FCOc1cccc(c1)I 7a_100000211634_100015361967 [1,1,0,0,0,0|1,0,0]=3 3784 B10R1.10 FCOc1cccc(n1)F 34a_100011432558_100015361967 [1,1,0,0,0,0|2,0,0]=4 3785 B10R1.10 FCOc1ccnc(c1)Cl 34a_100000762945_100015361967 [1,1,0,0,0,0|2,0,0]=4 3786 B10R1.10 FCOc1ccnc(c1)F 34a_100000732698_100015361967 [1,1,0,0,0,0|2,0,0]=4 3787 B10R1.10 FCOc1cncc(c1)Br 34a_100000754920_100015361967 [1,1,0,0,0,0|2,0,0]=4 3788 B10R1.10 FCOc1cncc(c1)Br 7a_100000754920_100015361967 [1,1,0,0,0,0|2,0,0]=4 3789 B10R1.10 FCOc1cncc(c1)Cl 7a_100000032511_100015361967 [1,1,0,0,0,0|2,0,0]=4 3790 B10R1.10 FCOc1cncc(c1)F 34a_100011830296_100015361967 [1,1,0,0,0,0|2,0,0]=4 3791 B10R1.10 FCOc1cncc(c1)F 7a_100011830296_100015361967 [1,1,0,0,0,0|2,0,0]=4 3792 B10R1.10 FCSc1cccc(c1)Br 62a_100000691529_100015361967 [1,1,0,0,0,0|1,1,0]=4 3793 B10R1.10 FCSc1cccc(c1)Br 62a_100015361967_100000691529 [1,1,0,0,0,0|1,1,0]=4 3794 B10R1.10 FCSc1cccc(c1)Cl 62a_100000699651_100015361967 [1,1,0,0,0,0|1,1,0]=4 3795 B10R1.10 FCSc1cccc(c1)Cl 62a_100015361967_100000699651 [1,1,0,0,0,0|1,1,0]=4 3796 B10R1.10 FCSc1cccc(c1)F 62a_100000685547_100015361967 [1,1,0,0,0,0|1,1,0]=4 3797 B10R1.10 FCSc1cccc(c1)F 62a_100015361967_100000685547 [1,1,0,0,0,0|1,1,0]=4 3798 B10R1.10 FCSc1cccc(c1)[S] 62a_100015361967_114929384022 [1,1,0,0,0,0|0,2,0]=4 3799 B10R1.10 FCSc1cccc(c1)[S] 62a_114929384022_100015361967 [1,1,0,0,0,0|0,2,0]=4 3800 B10R1.10 N#CCc1cccc(c1)O 271570a_203496583355_100000034040 [1,1,0,0,0,0|1,0,1]=4 3801 B10R1.10 NCCc1cccc(c1)O 271570a_203496583355_100011207229 [1,1,0,0,0,0|1,0,0]=3 3802 B10R1.10 NNCc1cccc(c1)O 271570a_203496583355_100000686200 [1,1,0,0,0,0|2,0,0]=4 3803 B10R1.10 Nc1cc(ccn1)OCF 34a_100011834064_100015361967 [1,1,0,0,0,0|2,0,0]=4 3804 B10R1.10 Nc1cccc(c1)OCF 34a_100000210217_100015361967 [1,1,0,0,0,0|1,0,0]=3 3805 B10R1.10 Nc1cccc(c1)SCF 62a_100000210019_100015361967 [1,1,0,0,0,0|1,1,0]=4 3806 B10R1.10 Nc1cccc(c1)SCF 62a_100015361967_100000210019 [1,1,0,0,0,0|1,1,0]=4 3807 B10R1.10 Nc1cncc(c1)OCF 34a_100011997051_100015361967 [1,1,0,0,0,0|2,0,0]=4 3808 B10R1.10 O=CCc1cccc(c1)O 271570a_203496583355_200000698211 [1,1,0,0,0,0|1,0,1]=4 3809 B10R1.10 O=c1cc(cc[nH]1)OCF 34a_100000032262_100015361967 [1,1,0,0,0,0|1,0,1]=4 3810 B10R1.10 O=c1cccc([nH]1)OCF 34a_100000033347_100015361967 [1,1,0,0,0,0|1,0,1]=4 3811 B10R1.10 OCCc1cccc(c1)O 271570a_203496583355_100011217444 [1,1,0,0,0,0|1,0,0]=3 3812 B10R1.10 OCCc1cccc(n1)O 271570a_203496583355_100010221043 [1,1,0,0,0,0|2,0,0]=4 3813 B10R1.10 Oc1cccc(c1)NCF 34a_100000210217_100015361967 [1,1,0,0,0,0|1,0,0]=3 3814 B10R1.10 Oc1cccc(c1)SCF 62a_100015361967_100000211634 [1,1,0,0,0,0|0,1,0]=3 3815 B10R1.10 Oc1ccnc(c1)SCF 62a_100015361967_100000762945 [1,1,0,0,0,0|1,1,0]=4 3816 B10R1.10 Oc1cncc(c1)SCF 62a_100000754920_100015361967 [1,1,0,0,0,0|1,1,0]=4 3817 B10R1.10 Oc1cncc(c1)SCF 62a_100015361967_100000754920 [1,1,0,0,0,0|1,1,0]=4 3818 B10R1.10 [13CH3]NCc1cccc(c1)Br 2230a_100000174977_200025704644 [1,1,0,0,0,0|2,0,0]=4 3819 B10R1.10 [13CH3]NCc1cccc(c1)Br 34a_100000174977_200025704644 [1,1,0,0,0,0|2,0,0]=4 3820 B10R1.10 [13CH3]NCc1cccc(c1)Cl 2230a_100000174878_200025704644 [1,1,0,0,0,0|2,0,0]=4 3821 B10R1.10 [13CH3]NCc1cccc(c1)Cl 34a_100000174878_200025704644 [1,1,0,0,0,0|2,0,0]=4 3822 B10R1.10 [13CH3]NCc1cccc(c1)F 2230a_100000174948_200025704644 [1,1,0,0,0,0|2,0,0]=4 3823 B10R1.10 [13CH3]NCc1cccc(c1)F 34a_100000174948_200025704644 [1,1,0,0,0,0|2,0,0]=4 3824 B10R1.10 [13CH3]NCc1cccc(c1)I 2230a_100000106179_200025704644 [1,1,0,0,0,0|2,0,0]=4 3825 B10R1.10 [13CH3]NCc1cccc(c1)I 34a_100000106179_200025704644 [1,1,0,0,0,0|2,0,0]=4 3826 B10R1.10 [13CH3]NCc1cccc(c1)O 2230a_100000743036_200025704644 [1,1,0,0,0,0|1,0,0]=3 3827 B10R1.10 [13CH3]NCc1cccc(c1)O 34a_100000743036_200025704644 [1,1,0,0,0,0|1,0,0]=3 3828 B10R1.10 [13CH3]OCc1cc(ccn1)Cl 34a_100000748867_200025704644 [1,1,0,0,0,0|2,0,0]=4 3829 B10R1.10 [13CH3]OCc1cc(ccn1)N 34a_100000692640_200025704644 [1,1,0,0,0,0|2,0,0]=4 3830 B10R1.10 [13CH3]OCc1ccc[n+](c1)[O-] 34a_100000037817_200025704644 [1,1,0,0,0,0|1,0,1]=4 3831 B10R1.10 [13CH3]OCc1ccc[n+](c1)[O-] 7a_100000037817_200025704644 [1,1,0,0,0,0|1,0,1]=4 3832 B10R1.10 [13CH3]OCc1cccc(c1)Br 34a_100000687537_200025704644 [1,1,0,0,0,0|1,0,0]=3 3833 B10R1.10 [13CH3]OCc1cccc(c1)Br 7a_100000687537_200025704644 [1,1,0,0,0,0|1,0,0]=3 3834 B10R1.10 [13CH3]OCc1cccc(c1)Cl 34a_100000241301_200025704644 [1,1,0,0,0,0|1,0,0]=3 3835 B10R1.10 [13CH3]OCc1cccc(c1)Cl 7a_100000241301_200025704644 [1,1,0,0,0,0|1,0,0]=3 3836 B10R1.10 [13CH3]OCc1cccc(c1)F 34a_100000210976_200025704644 [1,1,0,0,0,0|1,0,0]=3 3837 B10R1.10 [13CH3]OCc1cccc(c1)F 7a_100000210976_200025704644 [1,1,0,0,0,0|1,0,0]=3 3838 B10R1.10 [13CH3]OCc1cccc(c1)I 34a_100011215336_200025704644 [1,1,0,0,0,0|1,0,0]=3 3839 B10R1.10 [13CH3]OCc1cccc(c1)I 7a_100011215336_200025704644 [1,1,0,0,0,0|1,0,0]=3 3840 B10R1.10 [13CH3]OCc1cccc(c1)N 34a_100000211919_200025704644 [1,1,0,0,0,0|1,0,0]=3 3841 B10R1.10 [13CH3]OCc1cccc(n1)Br 34a_100000694195_200025704644 [1,1,0,0,0,0|2,0,0]=4 3842 B10R1.10 [13CH3]OCc1cccc(n1)Cl 34a_100011998359_200025704644 [1,1,0,0,0,0|2,0,0]=4 3843 B10R1.10 [13CH3]OCc1cccc(n1)F 34a_100000086748_200025704644 [1,1,0,0,0,0|2,0,0]=4 3844 B10R1.10 [13CH3]OCc1ccnc(c1)Br 34a_100009814636_200025704644 [1,1,0,0,0,0|2,0,0]=4 3845 B10R1.10 [13CH3]OCc1ccnc(c1)Br 7a_100009814636_200025704644 [1,1,0,0,0,0|2,0,0]=4 3846 B10R1.10 [13CH3]OCc1ccnc(c1)Cl 34a_100000748751_200025704644 [1,1,0,0,0,0|2,0,0]=4 3847 B10R1.10 [13CH3]OCc1ccnc(c1)F 34a_100000082451_200025704644 [1,1,0,0,0,0|2,0,0]=4 3848 B10R1.10 [13CH3]OCc1cncc(c1)Br 34a_100011259137_200025704644 [1,1,0,0,0,0|2,0,0]=4 3849 B10R1.10 [13CH3]OCc1cncc(c1)Br 7a_100011259137_200025704644 [1,1,0,0,0,0|2,0,0]=4 3850 B10R1.10 [13CH3]OCc1cncc(c1)Cl 34a_100000092867_200025704644 [1,1,0,0,0,0|2,0,0]=4 3851 B10R1.10 [13CH3]OCc1cncc(c1)Cl 7a_100000092867_200025704644 [1,1,0,0,0,0|2,0,0]=4 3852 B10R1.10 [13CH3]OCc1cncc(c1)F 34a_100011962875_200025704644 [1,1,0,0,0,0|2,0,0]=4 3853 B10R1.10 [13CH3]OCc1cncc(c1)F 7a_100011962875_200025704644 [1,1,0,0,0,0|2,0,0]=4 3854 B10R1.10 [13CH3]OCc1cncc(c1)N 34a_100000085308_200025704644 [1,1,0,0,0,0|2,0,0]=4 3855 B10R1.10 [13CH3]SCc1cccc(c1)Br 62a_100000211773_200025704644 [1,1,0,0,0,0|1,1,0]=4 3856 B10R1.10 [13CH3]SCc1cccc(c1)Br 62a_200025704644_100000211773 [1,1,0,0,0,0|1,1,0]=4 3857 B10R1.10 [13CH3]SCc1cccc(c1)Cl 62a_100000187163_200025704644 [1,1,0,0,0,0|1,1,0]=4 3858 B10R1.10 [13CH3]SCc1cccc(c1)Cl 62a_200025704644_100000187163 [1,1,0,0,0,0|1,1,0]=4 3859 B10R1.10 [13CH3]SCc1cccc(c1)F 62a_100000230114_200025704644 [1,1,0,0,0,0|1,1,0]=4 3860 B10R1.10 [13CH3]SCc1cccc(c1)F 62a_200025704644_100000230114 [1,1,0,0,0,0|1,1,0]=4 3861 B10R1.10 [13CH3]SCc1cccc(c1)I 62a_100011218688_200025704644 [1,1,0,0,0,0|1,1,0]=4 3862 B10R1.10 [13CH3]SCc1cccc(c1)I 62a_200025704644_100011218688 [1,1,0,0,0,0|1,1,0]=4 3863 B10R1.10 [13CH3]SCc1cccc(c1)O 62a_100011660834_200025704644 [1,1,0,0,0,0|0,1,0]=3 3864 B10R1.10 [13CH3]SCc1cccc(c1)O 62a_200025704644_100011660834 [1,1,0,0,0,0|0,1,0]=3 3865 B10R1.10 [N-]=[N+]=Nc1cccc(c1)O 271570a_203496583355_100000735707 [1,1,0,0,0,0|2,0,0]=4 3866 B10R1.10 [O-][n+]1cccc(c1)OCF 34a_100000039713_100015361967 [1,1,0,0,0,0|1,0,1]=4 3867 B10R1.10 [O-][n+]1cccc(c1)OCF 7a_100000039713_100015361967 [1,1,0,0,0,0|1,0,1]=4 3868 B10R1.30 C=Cc1cc(ccc1Br)C 271570a_100011290941_100012353751 [1,1,0,0,0,0|1,0,1]=4 3869 B10R1.30 C=Cc1cc(ccc1Br)O 271570a_100011290941_100012339312 [1,1,0,0,0,0|1,0,1]=4 3870 B10R1.30 C=Cc1cc(ccc1C)C 271570a_100011290941_100000210833 [1,1,0,0,0,0|1,0,1]=4 3871 B10R1.30 C=Cc1cc(ccc1C)O 271570a_100011290941_100011380479 [1,1,0,0,0,0|1,0,1]=4 3872 B10R1.30 C=Cc1cc(ccc1Cl)C 271570a_100011290941_100012356289 [1,1,0,0,0,0|1,0,1]=4 3873 B10R1.30 C=Cc1cc(ccc1Cl)O 271570a_100011290941_100000049588 [1,1,0,0,0,0|1,0,1]=4 3874 B10R1.30 C=Cc1cc(ccc1F)C 271570a_100011290941_100000736223 [1,1,0,0,0,0|1,0,1]=4 3875 B10R1.30 C=Cc1cc(ccc1F)O 271570a_100011290941_100000693481 [1,1,0,0,0,0|1,0,1]=4 3876 B10R1.30 C=Cc1cc(ccc1N)C 271570a_100011290941_100000210942 [1,1,0,0,0,0|1,0,1]=4 3877 B10R1.30 C=Cc1cc(ccc1N)O 271570a_100011290941_100012001276 [1,1,0,0,0,0|1,0,1]=4 3878 B10R1.30 C=Cc1cc(ccc1O)C 271570a_100011290941_100000765521 [1,1,0,0,0,0|1,0,1]=4 3879 B10R1.30 C=Cc1cc(ccc1O)O 271570a_100011290941_100009813629 [1,1,0,0,0,0|1,0,1]=4 3880 B10R1.30 CCc1cc(ccc1Br)O 271570a_203496583355_100010244631 [1,1,0,0,0,0|1,0,0]=3 3881 B10R1.30 CCc1cc(ccc1F)O 271570a_203496583355_100010244625 [1,1,0,0,0,0|1,0,0]=3 3882 B10R1.30 CCc1cc(ccc1N)O 271570a_203496583355_100000686106 [1,1,0,0,0,0|1,0,0]=3 3883 B10R1.30 CCc1cc(ccc1O)Br 271570a_203496583355_100011216195 [1,1,0,0,0,0|2,0,0]=4 3884 B10R1.30 CCc1cc(ccc1O)N 271570a_203496583355_100010109747 [1,1,0,0,0,0|2,0,0]=4 3885 B10R1.30 CCc1cc(ccc1O)O 271570a_203496583355_100012338938 [1,1,0,0,0,0|1,0,0]=3 3886 B10R1.30 CCc1nc(ccc1N)O 271570a_203496583355_100009871203 [1,1,0,0,0,0|2,0,0]=4 3887 B10R1.30 CCn1cc(ccc1=O)O 271570a_203496583355_100000231005 [1,1,0,0,0,0|2,0,0]=4 3888 B10R1.30 CNc1cc(ccc1Br)Br 34a_100000737762_200000210301 [1,1,0,0,0,0|2,0,0]=4 3889 B10R1.30 CNc1cc(ccc1Br)C 34a_100000745044_200000210301 [1,1,0,0,0,0|1,0,0]=3 3890 B10R1.30 CNc1cc(ccc1Br)Cl 34a_100000687073_200000210301 [1,1,0,0,0,0|2,0,0]=4 3891 B10R1.30 CNc1cc(ccc1Br)F 34a_100000687223_200000210301 [1,1,0,0,0,0|2,0,0]=4 3892 B10R1.30 CNc1cc(ccc1Br)O 34a_100011999798_200000210301 [1,1,0,0,0,0|1,0,0]=3 3893 B10R1.30 CNc1cc(ccc1C)Br 34a_100000741167_200000210301 [1,1,0,0,0,0|2,0,0]=4 3894 B10R1.30 CNc1cc(ccc1C)Br 7a_100000741167_200000210301 [1,1,0,0,0,0|2,0,0]=4 3895 B10R1.30 CNc1cc(ccc1C)C 2230a_100000185781_200000210301 [1,1,0,0,0,0|1,0,0]=3 3896 B10R1.30 CNc1cc(ccc1C)C 34a_100000185781_200000210301 [1,1,0,0,0,0|1,0,0]=3 3897 B10R1.30 CNc1cc(ccc1C)C 7a_100000185781_200000210301 [1,1,0,0,0,0|1,0,0]=3 3898 B10R1.30 CNc1cc(ccc1C)Cl 34a_100000211374_200000210301 [1,1,0,0,0,0|2,0,0]=4 3899 B10R1.30 CNc1cc(ccc1C)Cl 7a_100000211374_200000210301 [1,1,0,0,0,0|2,0,0]=4 3900 B10R1.30 CNc1cc(ccc1C)F 34a_100000211107_200000210301 [1,1,0,0,0,0|2,0,0]=4 3901 B10R1.30 CNc1cc(ccc1C)F 7a_100000211107_200000210301 [1,1,0,0,0,0|2,0,0]=4 3902 B10R1.30 CNc1cc(ccc1C)I 7a_100000761890_200000210301 [1,1,0,0,0,0|2,0,0]=4 3903 B10R1.30 CNc1cc(ccc1C)O 271570a_203496583355_100020629602 [1,1,0,0,0,0|1,0,0]=3 3904 B10R1.30 CNc1cc(ccc1C)O 34a_100011216113_200000210301 [1,1,0,0,0,0|1,0,0]=3 3905 B10R1.30 CNc1cc(ccc1Cl)Br 34a_100000750497_200000210301 [1,1,0,0,0,0|2,0,0]=4 3906 B10R1.30 CNc1cc(ccc1Cl)C 34a_100011215360_200000210301 [1,1,0,0,0,0|1,0,0]=3 3907 B10R1.30 CNc1cc(ccc1Cl)Cl 34a_100000184485_200000210301 [1,1,0,0,0,0|2,0,0]=4 3908 B10R1.30 CNc1cc(ccc1Cl)F 34a_100000751338_200000210301 [1,1,0,0,0,0|2,0,0]=4 3909 B10R1.30 CNc1cc(ccc1Cl)I 34a_200000761891_200000210301 [1,1,0,0,0,0|2,0,0]=4 3910 B10R1.30 CNc1cc(ccc1Cl)O 34a_100011934297_200000210301 [1,1,0,0,0,0|1,0,0]=3 3911 B10R1.30 CNc1cc(ccc1F)Br 34a_100000740924_200000210301 [1,1,0,0,0,0|2,0,0]=4 3912 B10R1.30 CNc1cc(ccc1F)C 34a_100000211285_200000210301 [1,1,0,0,0,0|1,0,0]=3 3913 B10R1.30 CNc1cc(ccc1F)Cl 34a_100000212115_200000210301 [1,1,0,0,0,0|2,0,0]=4 3914 B10R1.30 CNc1cc(ccc1F)F 34a_100000210742_200000210301 [1,1,0,0,0,0|2,0,0]=4 3915 B10R1.30 CNc1cc(ccc1F)I 34a_100011464823_200000210301 [1,1,0,0,0,0|2,0,0]=4 3916 B10R1.30 CNc1cc(ccc1F)O 271570a_203496583355_100011314990 [1,1,0,0,0,0|1,0,0]=3 3917 B10R1.30 CNc1cc(ccc1F)O 34a_100012017239_200000210301 [1,1,0,0,0,0|1,0,0]=3 3918 B10R1.30 CNc1cc(ccc1I)Br 34a_100000743836_200000210301 [1,1,0,0,0,0|2,0,0]=4 3919 B10R1.30 CNc1cc(ccc1I)C 34a_100011216686_200000210301 [1,1,0,0,0,0|1,0,0]=3 3920 B10R1.30 CNc1cc(ccc1I)Cl 34a_100000761886_200000210301 [1,1,0,0,0,0|2,0,0]=4 3921 B10R1.30 CNc1cc(ccc1I)F 34a_100011218093_200000210301 [1,1,0,0,0,0|2,0,0]=4 3922 B10R1.30 CNc1cc(ccc1N)O 271570a_203496583355_100000694363 [1,1,0,0,0,0|1,0,0]=3 3923 B10R1.30 CNc1cc(ccc1O)Br 34a_100000752626_200000210301 [1,1,0,0,0,0|2,0,0]=4 3924 B10R1.30 CNc1cc(ccc1O)C 34a_100011215204_200000210301 [1,1,0,0,0,0|1,0,0]=3 3925 B10R1.30 CNc1cc(ccc1O)Cl 34a_100000210500_200000210301 [1,1,0,0,0,0|2,0,0]=4 3926 B10R1.30 CNc1cc(ccc1O)F 271570a_203496583355_100020633008 [1,1,0,0,0,0|2,0,0]=4 3927 B10R1.30 CNc1cc(ccc1O)F 34a_100000759472_200000210301 [1,1,0,0,0,0|2,0,0]=4 3928 B10R1.30 CNc1cc(cnc1F)C 27a_100102657272_100009820679 [1,1,0,0,0,0|2,0,0]=4 3929 B10R1.30 CNc1cc(cnc1N)O 271570a_203496583355_100010506235 [1,1,0,0,0,0|2,0,0]=4 3930 B10R1.30 CNc1cc(ncc1F)C 27a_100102657272_100009867690 [1,1,0,0,0,0|2,0,0]=4 3931 B10R1.30 COc1cc(=O)[nH]cc1Cl 34a_100000069390_200000210301 [1,1,0,0,0,0|1,0,1]=4 3932 B10R1.30 COc1cc(c[nH]c1=O)O 271570a_203496583355_100010125397 [1,1,0,0,0,0|1,0,0]=3 3933 B10R1.30 COc1cc(ccc1Br)Br 34a_100011220040_200000210301 [1,1,0,0,0,0|1,0,0]=3 3934 B10R1.30 COc1cc(ccc1Br)Br 7a_100011220040_200000210301 [1,1,0,0,0,0|1,0,0]=3 3935 B10R1.30 COc1cc(ccc1Br)C 34a_100012002257_200000210301 [1,1,0,0,0,0|0,0,0]=2 3936 B10R1.30 COc1cc(ccc1Br)C 7a_100012002257_200000210301 [1,1,0,0,0,0|0,0,0]=2 3937 B10R1.30 COc1cc(ccc1Br)Cl 34a_100012339455_200000210301 [1,1,0,0,0,0|1,0,0]=3 3938 B10R1.30 COc1cc(ccc1Br)Cl 7a_100012339455_200000210301 [1,1,0,0,0,0|1,0,0]=3 3939 B10R1.30 COc1cc(ccc1Br)F 34a_100000690578_200000210301 [1,1,0,0,0,0|1,0,0]=3 3940 B10R1.30 COc1cc(ccc1Br)F 7a_100000690578_200000210301 [1,1,0,0,0,0|1,0,0]=3 3941 B10R1.30 COc1cc(ccc1Br)I 34a_100012356990_200000210301 [1,1,0,0,0,0|1,0,0]=3 3942 B10R1.30 COc1cc(ccc1Br)I 7a_100012356990_200000210301 [1,1,0,0,0,0|1,0,0]=3 3943 B10R1.30 COc1cc(ccc1Br)O 271570a_203496583355_100012353699 [1,1,0,0,0,0|0,0,0]=2 3944 B10R1.30 COc1cc(ccc1C)Br 34a_100000685420_200000210301 [1,1,0,0,0,0|1,0,0]=3 3945 B10R1.30 COc1cc(ccc1C)Br 7a_100000685420_200000210301 [1,1,0,0,0,0|1,0,0]=3 3946 B10R1.30 COc1cc(ccc1C)C 34a_100000210931_200000210301 [1,1,0,0,0,0|0,0,0]=2 3947 B10R1.30 COc1cc(ccc1C)C 7a_100000210931_200000210301 [1,1,0,0,0,0|0,0,0]=2 3948 B10R1.30 COc1cc(ccc1C)Cl 34a_100000756515_200000210301 [1,1,0,0,0,0|1,0,0]=3 3949 B10R1.30 COc1cc(ccc1C)Cl 7a_100000756515_200000210301 [1,1,0,0,0,0|1,0,0]=3 3950 B10R1.30 COc1cc(ccc1C)F 34a_100000690566_200000210301 [1,1,0,0,0,0|1,0,0]=3 3951 B10R1.30 COc1cc(ccc1C)F 7a_100000690566_200000210301 [1,1,0,0,0,0|1,0,0]=3 3952 B10R1.30 COc1cc(ccc1C)I 7a_100000766334_200000210301 [1,1,0,0,0,0|1,0,0]=3 3953 B10R1.30 COc1cc(ccc1C)N 34a_100000759471_200000210301 [1,1,0,0,0,0|1,0,0]=3 3954 B10R1.30 COc1cc(ccc1C)N 7a_100000759471_200000210301 [1,1,0,0,0,0|1,0,0]=3 3955 B10R1.30 COc1cc(ccc1C)O 271570a_203496583355_100011830276 [1,1,0,0,0,0|0,0,0]=2 3956 B10R1.30 COc1cc(ccc1Cl)Br 34a_100000738945_200000210301 [1,1,0,0,0,0|1,0,0]=3 3957 B10R1.30 COc1cc(ccc1Cl)Br 7a_100000738945_200000210301 [1,1,0,0,0,0|1,0,0]=3 3958 B10R1.30 COc1cc(ccc1Cl)C 34a_100000211493_200000210301 [1,1,0,0,0,0|0,0,0]=2 3959 B10R1.30 COc1cc(ccc1Cl)C 7a_100000211493_200000210301 [1,1,0,0,0,0|0,0,0]=2 3960 B10R1.30 COc1cc(ccc1Cl)Cl 34a_100000211422_200000210301 [1,1,0,0,0,0|1,0,0]=3 3961 B10R1.30 COc1cc(ccc1Cl)Cl 7a_100000211422_200000210301 [1,1,0,0,0,0|1,0,0]=3 3962 B10R1.30 COc1cc(ccc1Cl)F 34a_100000692107_200000210301 [1,1,0,0,0,0|1,0,0]=3 3963 B10R1.30 COc1cc(ccc1Cl)F 7a_100000692107_200000210301 [1,1,0,0,0,0|1,0,0]=3 3964 B10R1.30 COc1cc(ccc1Cl)I 34a_100011356854_200000210301 [1,1,0,0,0,0|1,0,0]=3 3965 B10R1.30 COc1cc(ccc1Cl)I 7a_100011356854_200000210301 [1,1,0,0,0,0|1,0,0]=3 3966 B10R1.30 COc1cc(ccc1Cl)N 34a_100011934209_200000210301 [1,1,0,0,0,0|1,0,0]=3 3967 B10R1.30 COc1cc(ccc1Cl)O 271570a_203496583355_100011356853 [1,1,0,0,0,0|0,0,0]=2 3968 B10R1.30 COc1cc(ccc1F)Br 34a_100000686035_200000210301 [1,1,0,0,0,0|1,0,0]=3 3969 B10R1.30 COc1cc(ccc1F)Br 7a_100000686035_200000210301 [1,1,0,0,0,0|1,0,0]=3 3970 B10R1.30 COc1cc(ccc1F)C 34a_100000759540_200000210301 [1,1,0,0,0,0|0,0,0]=2 3971 B10R1.30 COc1cc(ccc1F)C 7a_100000759540_200000210301 [1,1,0,0,0,0|0,0,0]=2 3972 B10R1.30 COc1cc(ccc1F)Cl 34a_100000757397_200000210301 [1,1,0,0,0,0|1,0,0]=3 3973 B10R1.30 COc1cc(ccc1F)Cl 7a_100000757397_200000210301 [1,1,0,0,0,0|1,0,0]=3 3974 B10R1.30 COc1cc(ccc1F)F 34a_100000752141_200000210301 [1,1,0,0,0,0|1,0,0]=3 3975 B10R1.30 COc1cc(ccc1F)F 7a_100000752141_200000210301 [1,1,0,0,0,0|1,0,0]=3 3976 B10R1.30 COc1cc(ccc1F)I 34a_100009958187_200000210301 [1,1,0,0,0,0|1,0,0]=3 3977 B10R1.30 COc1cc(ccc1F)I 7a_100009958187_200000210301 [1,1,0,0,0,0|1,0,0]=3 3978 B10R1.30 COc1cc(ccc1F)N 34a_100012017398_200000210301 [1,1,0,0,0,0|1,0,0]=3 3979 B10R1.30 COc1cc(ccc1F)N 7a_100012017398_200000210301 [1,1,0,0,0,0|1,0,0]=3 3980 B10R1.30 COc1cc(ccc1F)O 271570a_203496583355_100011934186 [1,1,0,0,0,0|0,0,0]=2 3981 B10R1.30 COc1cc(ccc1I)Br 34a_100012344904_200000210301 [1,1,0,0,0,0|1,0,0]=3 3982 B10R1.30 COc1cc(ccc1I)Br 7a_100012344904_200000210301 [1,1,0,0,0,0|1,0,0]=3 3983 B10R1.30 COc1cc(ccc1I)Cl 34a_100000050036_200000210301 [1,1,0,0,0,0|1,0,0]=3 3984 B10R1.30 COc1cc(ccc1I)Cl 7a_100000050036_200000210301 [1,1,0,0,0,0|1,0,0]=3 3985 B10R1.30 COc1cc(ccc1I)F 34a_100010084537_200000210301 [1,1,0,0,0,0|1,0,0]=3 3986 B10R1.30 COc1cc(ccc1I)F 7a_100010084537_200000210301 [1,1,0,0,0,0|1,0,0]=3 3987 B10R1.30 COc1cc(ccc1N)Br 34a_100000739049_200000210301 [1,1,0,0,0,0|1,0,0]=3 3988 B10R1.30 COc1cc(ccc1N)Br 7a_100000739049_200000210301 [1,1,0,0,0,0|1,0,0]=3 3989 B10R1.30 COc1cc(ccc1N)C 34a_100000211527_200000210301 [1,1,0,0,0,0|0,0,0]=2 3990 B10R1.30 COc1cc(ccc1N)C 7a_100000211527_200000210301 [1,1,0,0,0,0|0,0,0]=2 3991 B10R1.30 COc1cc(ccc1N)Cl 34a_100000185728_200000210301 [1,1,0,0,0,0|1,0,0]=3 3992 B10R1.30 COc1cc(ccc1N)Cl 7a_100000185728_200000210301 [1,1,0,0,0,0|1,0,0]=3 3993 B10R1.30 COc1cc(ccc1N)F 34a_100000753323_200000210301 [1,1,0,0,0,0|1,0,0]=3 3994 B10R1.30 COc1cc(ccc1N)F 7a_100000753323_200000210301 [1,1,0,0,0,0|1,0,0]=3 3995 B10R1.30 COc1cc(ccc1N)I 34a_100000057187_200000210301 [1,1,0,0,0,0|1,0,0]=3 3996 B10R1.30 COc1cc(ccc1N)I 7a_100000057187_200000210301 [1,1,0,0,0,0|1,0,0]=3 3997 B10R1.30 COc1cc(ccc1N)N 34a_100025717382_200000210301 [1,1,0,0,0,0|1,0,0]=3 3998 B10R1.30 COc1cc(ccc1N)O 271570a_203496583355_100011279103 [1,1,0,0,0,0|0,0,0]=2 3999 B10R1.30 COc1cc(ccc1O)Br 271570a_203496583355_100010245111 [1,1,0,0,0,0|1,0,0]=3 4000 B10R1.30 COc1cc(ccc1O)C 271570a_203496583355_100010200004 [1,1,0,0,0,0|0,0,0]=2 4001 B10R1.30 COc1cc(ccc1O)Cl 271570a_203496583355_100000050115 [1,1,0,0,0,0|1,0,0]=3 4002 B10R1.30 COc1cc(ccc1O)F 271570a_203496583355_100000757151 [1,1,0,0,0,0|1,0,0]=3 4003 B10R1.30 COc1cc(ccc1O)N 271570a_203496583355_100000765947 [1,1,0,0,0,0|1,0,0]=3 4004 B10R1.30 COc1cc(ccc1O)O 271570a_203496583355_100000694246 [1,1,0,0,0,0|0,0,0]=2 4005 B10R1.30 COc1cc(ccc1O)O 271570a_203496583355_100011827694 [1,1,0,0,0,0|0,0,0]=2 4006 B10R1.30 COc1cc(cnc1Br)Cl 34a_100000697010_200000210301 [1,1,0,0,0,0|2,0,0]=4 4007 B10R1.30 COc1cc(cnc1Br)Cl 7a_100000697010_200000210301 [1,1,0,0,0,0|2,0,0]=4 4008 B10R1.30 COc1cc(cnc1Br)F 34a_100009820119_200000210301 [1,1,0,0,0,0|2,0,0]=4 4009 B10R1.30 COc1cc(cnc1Br)F 7a_100009820119_200000210301 [1,1,0,0,0,0|2,0,0]=4 4010 B10R1.30 COc1cc(cnc1C)Br 34a_100009864810_200000210301 [1,1,0,0,0,0|2,0,0]=4 4011 B10R1.30 COc1cc(cnc1C)Br 7a_100009864810_200000210301 [1,1,0,0,0,0|2,0,0]=4 4012 B10R1.30 COc1cc(cnc1C)O 271570a_203496583355_100010254219 [1,1,0,0,0,0|1,0,0]=3 4013 B10R1.30 COc1cc(cnc1Cl)Br 34a_100012354860_200000210301 [1,1,0,0,0,0|2,0,0]=4 4014 B10R1.30 COc1cc(cnc1Cl)Br 7a_100012354860_200000210301 [1,1,0,0,0,0|2,0,0]=4 4015 B10R1.30 COc1cc(cnc1Cl)C 34a_100012000487_200000210301 [1,1,0,0,0,0|1,0,0]=3 4016 B10R1.30 COc1cc(cnc1Cl)C 7a_100012000487_200000210301 [1,1,0,0,0,0|1,0,0]=3 4017 B10R1.30 COc1cc(cnc1Cl)F 34a_100000079967_200000210301 [1,1,0,0,0,0|2,0,0]=4 4018 B10R1.30 COc1cc(cnc1Cl)F 7a_100000079967_200000210301 [1,1,0,0,0,0|2,0,0]=4 4019 B10R1.30 COc1cc(cnc1F)Br 34a_100009819871_200000210301 [1,1,0,0,0,0|2,0,0]=4 4020 B10R1.30 COc1cc(cnc1F)Br 7a_100009819871_200000210301 [1,1,0,0,0,0|2,0,0]=4 4021 B10R1.30 COc1cc(cnc1F)C 34a_100009849810_200000210301 [1,1,0,0,0,0|1,0,0]=3 4022 B10R1.30 COc1cc(cnc1F)C 7a_100009849810_200000210301 [1,1,0,0,0,0|1,0,0]=3 4023 B10R1.30 COc1cc(cnc1F)Cl 34a_100000094372_200000210301 [1,1,0,0,0,0|2,0,0]=4 4024 B10R1.30 COc1cc(cnc1F)Cl 7a_100000094372_200000210301 [1,1,0,0,0,0|2,0,0]=4 4025 B10R1.30 COc1cc(cnc1F)O 271570a_203496583355_100010214931 [1,1,0,0,0,0|1,0,0]=3 4026 B10R1.30 COc1cc(cnc1I)Br 34a_100010210634_200000210301 [1,1,0,0,0,0|2,0,0]=4 4027 B10R1.30 COc1cc(cnc1I)Br 7a_100010210634_200000210301 [1,1,0,0,0,0|2,0,0]=4 4028 B10R1.30 COc1cc(cnc1I)Cl 34a_100010233512_200000210301 [1,1,0,0,0,0|2,0,0]=4 4029 B10R1.30 COc1cc(cnc1I)Cl 7a_100010233512_200000210301 [1,1,0,0,0,0|2,0,0]=4 4030 B10R1.30 COc1cc(cnc1I)F 34a_100015624800_200000210301 [1,1,0,0,0,0|2,0,0]=4 4031 B10R1.30 COc1cc(cnc1I)F 7a_100015624800_200000210301 [1,1,0,0,0,0|2,0,0]=4 4032 B10R1.30 COc1cc(cnc1N)Br 34a_100009819042_200000210301 [1,1,0,0,0,0|2,0,0]=4 4033 B10R1.30 COc1cc(cnc1N)Br 7a_100009819042_200000210301 [1,1,0,0,0,0|2,0,0]=4 4034 B10R1.30 COc1cc(cnc1N)Cl 34a_100000123674_200000210301 [1,1,0,0,0,0|2,0,0]=4 4035 B10R1.30 COc1cc(cnc1N)Cl 7a_100000123674_200000210301 [1,1,0,0,0,0|2,0,0]=4 4036 B10R1.30 COc1cc(cnc1N)F 34a_100000094369_200000210301 [1,1,0,0,0,0|2,0,0]=4 4037 B10R1.30 COc1cc(cnc1N)F 7a_100000094369_200000210301 [1,1,0,0,0,0|2,0,0]=4 4038 B10R1.30 COc1cc(cnc1N)O 271570a_203496583355_106354213024 [1,1,0,0,0,0|1,0,0]=3 4039 B10R1.30 COc1cc(cnc1O)C 271570a_203496583355_200000118316 [1,1,0,0,0,0|1,0,0]=3 4040 B10R1.30 COc1cc(cnc1O)F 271570a_203496583355_100009867738 [1,1,0,0,0,0|2,0,0]=4 4041 B10R1.30 COc1cc(cnc1O)N 271570a_203496583355_100000097218 [1,1,0,0,0,0|2,0,0]=4 4042 B10R1.30 COc1cc(ncc1Br)Br 34a_100010235016_200000210301 [1,1,0,0,0,0|2,0,0]=4 4043 B10R1.30 COc1cc(ncc1Br)C 34a_100011016184_200000210301 [1,1,0,0,0,0|1,0,0]=3 4044 B10R1.30 COc1cc(ncc1Br)Cl 34a_100010173860_200000210301 [1,1,0,0,0,0|2,0,0]=4 4045 B10R1.30 COc1cc(ncc1C)Br 34a_100000704368_200000210301 [1,1,0,0,0,0|2,0,0]=4 4046 B10R1.30 COc1cc(ncc1C)Br 7a_100000704368_200000210301 [1,1,0,0,0,0|2,0,0]=4 4047 B10R1.30 COc1cc(ncc1C)O 271570a_203496583355_100010067687 [1,1,0,0,0,0|1,0,0]=3 4048 B10R1.30 COc1cc(ncc1Cl)Br 34a_100010173861_200000210301 [1,1,0,0,0,0|2,0,0]=4 4049 B10R1.30 COc1cc(ncc1F)Br 34a_100009854642_200000210301 [1,1,0,0,0,0|2,0,0]=4 4050 B10R1.30 COc1cc(ncc1F)Cl 34a_100009851168_200000210301 [1,1,0,0,0,0|2,0,0]=4 4051 B10R1.30 COc1cc(ncc1F)O 271570a_203496583355_200010136270 [1,1,0,0,0,0|1,0,0]=3 4052 B10R1.30 COc1cc(ncc1N)O 271570a_203496583355_100009887741 [1,1,0,0,0,0|1,0,0]=3 4053 B10R1.30 COc1cc(ncc1O)C 271570a_203496583355_100000717771 [1,1,0,0,0,0|1,0,0]=3 4054 B10R1.30 COc1cc(ncc1O)Cl 271570a_203496583355_100010154656 [1,1,0,0,0,0|2,0,0]=4 4055 B10R1.30 COc1cc(ncc1O)F 271570a_203496583355_100010135560 [1,1,0,0,0,0|2,0,0]=4 4056 B10R1.30 COc1cc(ncc1O)N 271570a_203496583355_100015506990 [1,1,0,0,0,0|2,0,0]=4 4057 B10R1.30 COc1cc(nnc1N)O 271570a_203496583355_100000688033 [1,1,0,0,0,0|2,0,0]=4 4058 B10R1.30 COc1nc(ccc1Br)C 34a_100009817604_200000210301 [1,1,0,0,0,0|1,0,0]=3 4059 B10R1.30 COc1nc(ccc1F)Cl 34a_100010729010_200000210301 [1,1,0,0,0,0|2,0,0]=4 4060 B10R1.30 COc1nc(ccc1N)C 34a_100000687486_200000210301 [1,1,0,0,0,0|1,0,0]=3 4061 B10R1.30 COc1nc(ccc1N)O 271570a_203496583355_100000687816 [1,1,0,0,0,0|1,0,0]=3 4062 B10R1.30 COc1nc(ccc1O)C 271570a_203496583355_100010138632 [1,1,0,0,0,0|1,0,0]=3 4063 B10R1.30 COc1nc(ccc1O)N 271570a_203496583355_100010187630 [1,1,0,0,0,0|2,0,0]=4 4064 B10R1.30 COc1nc(ccc1O)O 271570a_203496583355_100010893133 [1,1,0,0,0,0|1,0,0]=3 4065 B10R1.30 COc1nc(cnc1N)O 271570a_203496583355_100009816943 [1,1,0,0,0,0|2,0,0]=4 4066 B10R1.30 COc1nc(cnc1O)O 271570a_203496583355_200010365344 [1,1,0,0,0,0|2,0,0]=4 4067 B10R1.30 COc1nc(ncc1C)O 271570a_203496583355_100012500371 [1,1,0,0,0,0|2,0,0]=4 4068 B10R1.30 COc1nc(ncc1F)O 271570a_203496583355_100012183945 [1,1,0,0,0,0|2,0,0]=4 4069 B10R1.30 COc1nc(ncc1N)O 271570a_203496583355_100012122185 [1,1,0,0,0,0|2,0,0]=4 4070 B10R1.30 CSc1cc(ccc1Br)Br 62a_100011483371_200000210301 [1,1,0,0,0,0|1,1,0]=4 4071 B10R1.30 CSc1cc(ccc1Br)Br 62a_200000210301_100011483371 [1,1,0,0,0,0|1,1,0]=4 4072 B10R1.30 CSc1cc(ccc1Br)C 62a_100012353751_200000210301 [1,1,0,0,0,0|0,1,0]=3 4073 B10R1.30 CSc1cc(ccc1Br)C 62a_200000210301_100012353751 [1,1,0,0,0,0|0,1,0]=3 4074 B10R1.30 CSc1cc(ccc1Br)Cl 62a_100012339723_200000210301 [1,1,0,0,0,0|1,1,0]=4 4075 B10R1.30 CSc1cc(ccc1Br)Cl 62a_200000210301_100012339723 [1,1,0,0,0,0|1,1,0]=4 4076 B10R1.30 CSc1cc(ccc1Br)F 62a_100011217576_200000210301 [1,1,0,0,0,0|1,1,0]=4 4077 B10R1.30 CSc1cc(ccc1Br)F 62a_200000210301_100011217576 [1,1,0,0,0,0|1,1,0]=4 4078 B10R1.30 CSc1cc(ccc1Br)N 62a_100000750459_200000210301 [1,1,0,0,0,0|1,1,0]=4 4079 B10R1.30 CSc1cc(ccc1Br)N 62a_200000210301_100000750459 [1,1,0,0,0,0|1,1,0]=4 4080 B10R1.30 CSc1cc(ccc1Br)O 62a_100012339312_200000210301 [1,1,0,0,0,0|0,1,0]=3 4081 B10R1.30 CSc1cc(ccc1Br)O 62a_200000210301_100012339312 [1,1,0,0,0,0|0,1,0]=3 4082 B10R1.30 CSc1cc(ccc1C)Br 62a_100011344865_200000210301 [1,1,0,0,0,0|1,1,0]=4 4083 B10R1.30 CSc1cc(ccc1C)Br 62a_200000210301_100011344865 [1,1,0,0,0,0|1,1,0]=4 4084 B10R1.30 CSc1cc(ccc1C)C 62a_100000210833_200000210301 [1,1,0,0,0,0|0,1,0]=3 4085 B10R1.30 CSc1cc(ccc1C)C 62a_200000210301_100000210833 [1,1,0,0,0,0|0,1,0]=3 4086 B10R1.30 CSc1cc(ccc1C)Cl 62a_100011263213_200000210301 [1,1,0,0,0,0|1,1,0]=4 4087 B10R1.30 CSc1cc(ccc1C)Cl 62a_200000210301_100011263213 [1,1,0,0,0,0|1,1,0]=4 4088 B10R1.30 CSc1cc(ccc1C)F 62a_100011218078_200000210301 [1,1,0,0,0,0|1,1,0]=4 4089 B10R1.30 CSc1cc(ccc1C)F 62a_200000210301_100011218078 [1,1,0,0,0,0|1,1,0]=4 4090 B10R1.30 CSc1cc(ccc1C)N 62a_100000736455_200000210301 [1,1,0,0,0,0|1,1,0]=4 4091 B10R1.30 CSc1cc(ccc1C)N 62a_200000210301_100000736455 [1,1,0,0,0,0|1,1,0]=4 4092 B10R1.30 CSc1cc(ccc1C)O 62a_100011380479_200000210301 [1,1,0,0,0,0|0,1,0]=3 4093 B10R1.30 CSc1cc(ccc1C)O 62a_200000210301_100011380479 [1,1,0,0,0,0|0,1,0]=3 4094 B10R1.30 CSc1cc(ccc1Cl)Br 62a_100011772130_200000210301 [1,1,0,0,0,0|1,1,0]=4 4095 B10R1.30 CSc1cc(ccc1Cl)Br 62a_200000210301_100011772130 [1,1,0,0,0,0|1,1,0]=4 4096 B10R1.30 CSc1cc(ccc1Cl)C 62a_100012356289_200000210301 [1,1,0,0,0,0|0,1,0]=3 4097 B10R1.30 CSc1cc(ccc1Cl)C 62a_200000210301_100012356289 [1,1,0,0,0,0|0,1,0]=3 4098 B10R1.30 CSc1cc(ccc1Cl)Cl 62a_100000707729_200000210301 [1,1,0,0,0,0|1,1,0]=4 4099 B10R1.30 CSc1cc(ccc1Cl)Cl 62a_200000210301_100000707729 [1,1,0,0,0,0|1,1,0]=4 4100 B10R1.30 CSc1cc(ccc1Cl)F 62a_100011217299_200000210301 [1,1,0,0,0,0|1,1,0]=4 4101 B10R1.30 CSc1cc(ccc1Cl)F 62a_200000210301_100011217299 [1,1,0,0,0,0|1,1,0]=4 4102 B10R1.30 CSc1cc(ccc1Cl)N 62a_100012360549_200000210301 [1,1,0,0,0,0|1,1,0]=4 4103 B10R1.30 CSc1cc(ccc1Cl)N 62a_200000210301_100012360549 [1,1,0,0,0,0|1,1,0]=4 4104 B10R1.30 CSc1cc(ccc1Cl)O 62a_100000049588_200000210301 [1,1,0,0,0,0|0,1,0]=3 4105 B10R1.30 CSc1cc(ccc1Cl)O 62a_200000210301_100000049588 [1,1,0,0,0,0|0,1,0]=3 4106 B10R1.30 CSc1cc(ccc1F)Br 62a_100011217312_200000210301 [1,1,0,0,0,0|1,1,0]=4 4107 B10R1.30 CSc1cc(ccc1F)Br 62a_200000210301_100011217312 [1,1,0,0,0,0|1,1,0]=4 4108 B10R1.30 CSc1cc(ccc1F)C 62a_100000736223_200000210301 [1,1,0,0,0,0|0,1,0]=3 4109 B10R1.30 CSc1cc(ccc1F)C 62a_200000210301_100000736223 [1,1,0,0,0,0|0,1,0]=3 4110 B10R1.30 CSc1cc(ccc1F)Cl 62a_100011218116_200000210301 [1,1,0,0,0,0|1,1,0]=4 4111 B10R1.30 CSc1cc(ccc1F)Cl 62a_200000210301_100011218116 [1,1,0,0,0,0|1,1,0]=4 4112 B10R1.30 CSc1cc(ccc1F)F 62a_100011219198_200000210301 [1,1,0,0,0,0|1,1,0]=4 4113 B10R1.30 CSc1cc(ccc1F)F 62a_200000210301_100011219198 [1,1,0,0,0,0|1,1,0]=4 4114 B10R1.30 CSc1cc(ccc1F)N 62a_100000760356_200000210301 [1,1,0,0,0,0|1,1,0]=4 4115 B10R1.30 CSc1cc(ccc1F)N 62a_200000210301_100000760356 [1,1,0,0,0,0|1,1,0]=4 4116 B10R1.30 CSc1cc(ccc1F)O 271570a_203496583355_100010341305 [1,1,0,0,0,0|0,1,0]=3 4117 B10R1.30 CSc1cc(ccc1F)O 62a_100000693481_200000210301 [1,1,0,0,0,0|0,1,0]=3 4118 B10R1.30 CSc1cc(ccc1F)O 62a_200000210301_100000693481 [1,1,0,0,0,0|0,1,0]=3 4119 B10R1.30 CSc1cc(ccc1N)Br 62a_100000187925_200000210301 [1,1,0,0,0,0|1,1,0]=4 4120 B10R1.30 CSc1cc(ccc1N)Br 62a_200000210301_100000187925 [1,1,0,0,0,0|1,1,0]=4 4121 B10R1.30 CSc1cc(ccc1N)C 62a_100011356834_200000210301 [1,1,0,0,0,0|0,1,0]=3 4122 B10R1.30 CSc1cc(ccc1N)C 62a_200000210301_100011356834 [1,1,0,0,0,0|0,1,0]=3 4123 B10R1.30 CSc1cc(ccc1N)Cl 62a_100000761889_200000210301 [1,1,0,0,0,0|1,1,0]=4 4124 B10R1.30 CSc1cc(ccc1N)Cl 62a_200000210301_100000761889 [1,1,0,0,0,0|1,1,0]=4 4125 B10R1.30 CSc1cc(ccc1N)F 62a_100000760547_200000210301 [1,1,0,0,0,0|1,1,0]=4 4126 B10R1.30 CSc1cc(ccc1N)F 62a_200000210301_100000760547 [1,1,0,0,0,0|1,1,0]=4 4127 B10R1.30 CSc1cc(ccc1N)N 62a_100011534242_200000210301 [1,1,0,0,0,0|1,1,0]=4 4128 B10R1.30 CSc1cc(ccc1N)N 62a_200000210301_100011534242 [1,1,0,0,0,0|1,1,0]=4 4129 B10R1.30 CSc1cc(ccc1N)O 62a_100012001276_200000210301 [1,1,0,0,0,0|0,1,0]=3 4130 B10R1.30 CSc1cc(ccc1N)O 62a_200000210301_100012001276 [1,1,0,0,0,0|0,1,0]=3 4131 B10R1.30 CSc1cc(ccc1O)Br 62a_100012355227_200000210301 [1,1,0,0,0,0|1,1,0]=4 4132 B10R1.30 CSc1cc(ccc1O)Br 62a_200000210301_100012355227 [1,1,0,0,0,0|1,1,0]=4 4133 B10R1.30 CSc1cc(ccc1O)C 271570a_203496583355_200010709736 [1,1,0,0,0,0|0,1,0]=3 4134 B10R1.30 CSc1cc(ccc1O)C 62a_100000765521_200000210301 [1,1,0,0,0,0|0,1,0]=3 4135 B10R1.30 CSc1cc(ccc1O)C 62a_200000210301_100000765521 [1,1,0,0,0,0|0,1,0]=3 4136 B10R1.30 CSc1cc(ccc1O)Cl 62a_100011356953_200000210301 [1,1,0,0,0,0|1,1,0]=4 4137 B10R1.30 CSc1cc(ccc1O)Cl 62a_200000210301_100011356953 [1,1,0,0,0,0|1,1,0]=4 4138 B10R1.30 CSc1cc(ccc1O)F 62a_100000211999_200000210301 [1,1,0,0,0,0|1,1,0]=4 4139 B10R1.30 CSc1cc(ccc1O)F 62a_200000210301_100000211999 [1,1,0,0,0,0|1,1,0]=4 4140 B10R1.30 CSc1cc(ccc1O)N 62a_100011534360_200000210301 [1,1,0,0,0,0|1,1,0]=4 4141 B10R1.30 CSc1cc(ccc1O)N 62a_200000210301_100011534360 [1,1,0,0,0,0|1,1,0]=4 4142 B10R1.30 CSc1cc(ccc1O)O 62a_200000210301_100009813629 [1,1,0,0,0,0|0,1,0]=3 4143 B10R1.30 CSc1cc(cnc1C)C 62a_100009817436_200000210301 [1,1,0,0,0,0|1,1,0]=4 4144 B10R1.30 CSc1cc(cnc1C)C 62a_200000210301_100009817436 [1,1,0,0,0,0|1,1,0]=4 4145 B10R1.30 CSc1cc(cnc1C)O 62a_100009819603_200000210301 [1,1,0,0,0,0|1,1,0]=4 4146 B10R1.30 CSc1cc(cnc1C)O 62a_200000210301_100009819603 [1,1,0,0,0,0|1,1,0]=4 4147 B10R1.30 CSc1cc(cnc1Cl)C 62a_100010210167_200000210301 [1,1,0,0,0,0|1,1,0]=4 4148 B10R1.30 CSc1cc(cnc1Cl)C 62a_200000210301_100010210167 [1,1,0,0,0,0|1,1,0]=4 4149 B10R1.30 CSc1cc(cnc1F)C 62a_100000049784_200000210301 [1,1,0,0,0,0|1,1,0]=4 4150 B10R1.30 CSc1cc(cnc1F)C 62a_200000210301_100000049784 [1,1,0,0,0,0|1,1,0]=4 4151 B10R1.30 CSc1cc(cnc1F)O 62a_100009817267_200000210301 [1,1,0,0,0,0|1,1,0]=4 4152 B10R1.30 CSc1cc(cnc1F)O 62a_200000210301_100009817267 [1,1,0,0,0,0|1,1,0]=4 4153 B10R1.30 CSc1cc(cnc1N)C 62a_100000049664_200000210301 [1,1,0,0,0,0|1,1,0]=4 4154 B10R1.30 CSc1cc(cnc1N)C 62a_200000210301_100000049664 [1,1,0,0,0,0|1,1,0]=4 4155 B10R1.30 CSc1cc(cnc1O)C 271570a_203496583355_100010884634 [1,1,0,0,0,0|1,1,0]=4 4156 B10R1.30 CSc1cc(cnc1O)C 62a_100000719714_200000210301 [1,1,0,0,0,0|1,1,0]=4 4157 B10R1.30 CSc1cc(cnc1O)C 62a_200000210301_100000719714 [1,1,0,0,0,0|1,1,0]=4 4158 B10R1.30 CSc1cc(ncc1C)C 62a_100009862788_200000210301 [1,1,0,0,0,0|1,1,0]=4 4159 B10R1.30 CSc1cc(ncc1C)C 62a_200000210301_100009862788 [1,1,0,0,0,0|1,1,0]=4 4160 B10R1.30 CSc1cc(ncc1C)O 62a_100009831917_200000210301 [1,1,0,0,0,0|1,1,0]=4 4161 B10R1.30 CSc1cc(ncc1C)O 62a_200000210301_100009831917 [1,1,0,0,0,0|1,1,0]=4 4162 B10R1.30 CSc1cc(ncc1F)C 62a_100009867690_200000210301 [1,1,0,0,0,0|1,1,0]=4 4163 B10R1.30 CSc1cc(ncc1F)C 62a_200000210301_100009867690 [1,1,0,0,0,0|1,1,0]=4 4164 B10R1.30 CSc1cc(ncc1O)C 62a_100009843476_200000210301 [1,1,0,0,0,0|1,1,0]=4 4165 B10R1.30 CSc1cc(ncc1O)C 62a_200000210301_100009843476 [1,1,0,0,0,0|1,1,0]=4 4166 B10R1.30 CSc1cn(ccc1=O)C 62a_100010750718_200000210301 [1,1,0,0,0,0|1,1,0]=4 4167 B10R1.30 CSc1cn(ccc1=O)C 62a_200000210301_100010750718 [1,1,0,0,0,0|1,1,0]=4 4168 B10R1.30 CSc1nc(ccc1C)C 62a_100009854376_200000210301 [1,1,0,0,0,0|1,1,0]=4 4169 B10R1.30 CSc1nc(ccc1C)C 62a_200000210301_100009854376 [1,1,0,0,0,0|1,1,0]=4 4170 B10R1.30 CSc1nc(ccc1F)C 62a_100009817602_200000210301 [1,1,0,0,0,0|1,1,0]=4 4171 B10R1.30 CSc1nc(ccc1F)C 62a_200000210301_100009817602 [1,1,0,0,0,0|1,1,0]=4 4172 B10R1.30 CSc1nc(ccc1N)C 62a_100000685570_200000210301 [1,1,0,0,0,0|1,1,0]=4 4173 B10R1.30 CSc1nc(ccc1N)C 62a_200000210301_100000685570 [1,1,0,0,0,0|1,1,0]=4 4174 B10R1.30 CSc1nc(ccc1O)C 62a_100000702858_200000210301 [1,1,0,0,0,0|1,1,0]=4 4175 B10R1.30 CSc1nc(ccc1O)C 62a_200000210301_100000702858 [1,1,0,0,0,0|1,1,0]=4 4176 B10R1.30 Cc1cc(c(cn1)Br)O[13CH3] 34a_100011016184_200025704644 [1,1,0,0,0,0|1,0,0]=3 4177 B10R1.30 Cc1cc(c(cn1)C)S[13CH3] 62a_100009862788_200025704644 [1,1,0,0,0,0|1,1,0]=4 4178 B10R1.30 Cc1cc(c(cn1)C)S[13CH3] 62a_200025704644_100009862788 [1,1,0,0,0,0|1,1,0]=4 4179 B10R1.30 Cc1cc(c(cn1)F)S[13CH3] 62a_100009867690_200025704644 [1,1,0,0,0,0|1,1,0]=4 4180 B10R1.30 Cc1cc(c(cn1)F)S[13CH3] 62a_200025704644_100009867690 [1,1,0,0,0,0|1,1,0]=4 4181 B10R1.30 Cc1cc(c(cn1)O)S[13CH3] 62a_100009843476_200025704644 [1,1,0,0,0,0|1,1,0]=4 4182 B10R1.30 Cc1cc(c(cn1)O)S[13CH3] 62a_200025704644_100009843476 [1,1,0,0,0,0|1,1,0]=4 4183 B10R1.30 Cc1ccc(c(c1)C#N)O 271570a_203496583355_100011935190 [1,1,0,0,0,0|2,0,0]=4 4184 B10R1.30 Cc1ccc(c(c1)C=O)O 271570a_203496583355_100011551863 [1,1,0,0,0,0|2,0,0]=4 4185 B10R1.30 Cc1ccc(c(c1)CO)O 271570a_203496583355_100012361352 [1,1,0,0,0,0|2,0,0]=4 4186 B10R1.30 Cc1ccc(c(c1)N[13CH3])Br 34a_100000745044_200025704644 [1,1,0,0,0,0|1,0,0]=3 4187 B10R1.30 Cc1ccc(c(c1)N[13CH3])C 2230a_100000185781_200025704644 [1,1,0,0,0,0|1,0,0]=3 4188 B10R1.30 Cc1ccc(c(c1)N[13CH3])C 34a_100000185781_200025704644 [1,1,0,0,0,0|1,0,0]=3 4189 B10R1.30 Cc1ccc(c(c1)N[13CH3])C 7a_100000185781_200025704644 [1,1,0,0,0,0|1,0,0]=3 4190 B10R1.30 Cc1ccc(c(c1)N[13CH3])Cl 34a_100011215360_200025704644 [1,1,0,0,0,0|1,0,0]=3 4191 B10R1.30 Cc1ccc(c(c1)N[13CH3])F 34a_100000211285_200025704644 [1,1,0,0,0,0|1,0,0]=3 4192 B10R1.30 Cc1ccc(c(c1)N[13CH3])I 34a_100011216686_200025704644 [1,1,0,0,0,0|1,0,0]=3 4193 B10R1.30 Cc1ccc(c(c1)N[13CH3])O 34a_100011215204_200025704644 [1,1,0,0,0,0|1,0,0]=3 4194 B10R1.30 Cc1ccc(c(c1)O[13CH3])Br 34a_100012002257_200025704644 [1,1,0,0,0,0|0,0,0]=2 4195 B10R1.30 Cc1ccc(c(c1)O[13CH3])Br 7a_100012002257_200025704644 [1,1,0,0,0,0|0,0,0]=2 4196 B10R1.30 Cc1ccc(c(c1)O[13CH3])C 34a_100000210931_200025704644 [1,1,0,0,0,0|0,0,0]=2 4197 B10R1.30 Cc1ccc(c(c1)O[13CH3])C 7a_100000210931_200025704644 [1,1,0,0,0,0|0,0,0]=2 4198 B10R1.30 Cc1ccc(c(c1)O[13CH3])Cl 34a_100000211493_200025704644 [1,1,0,0,0,0|0,0,0]=2 4199 B10R1.30 Cc1ccc(c(c1)O[13CH3])Cl 7a_100000211493_200025704644 [1,1,0,0,0,0|0,0,0]=2 4200 B10R1.30 Cc1ccc(c(c1)O[13CH3])F 34a_100000759540_200025704644 [1,1,0,0,0,0|0,0,0]=2 4201 B10R1.30 Cc1ccc(c(c1)O[13CH3])F 7a_100000759540_200025704644 [1,1,0,0,0,0|0,0,0]=2 4202 B10R1.30 Cc1ccc(c(c1)O[13CH3])N 34a_100000211527_200025704644 [1,1,0,0,0,0|0,0,0]=2 4203 B10R1.30 Cc1ccc(c(c1)O[13CH3])N 7a_100000211527_200025704644 [1,1,0,0,0,0|0,0,0]=2 4204 B10R1.30 Cc1ccc(c(c1)S[13CH3])Br 62a_100012353751_200025704644 [1,1,0,0,0,0|0,1,0]=3 4205 B10R1.30 Cc1ccc(c(c1)S[13CH3])Br 62a_200025704644_100012353751 [1,1,0,0,0,0|0,1,0]=3 4206 B10R1.30 Cc1ccc(c(c1)S[13CH3])C 62a_100000210833_200025704644 [1,1,0,0,0,0|0,1,0]=3 4207 B10R1.30 Cc1ccc(c(c1)S[13CH3])C 62a_200025704644_100000210833 [1,1,0,0,0,0|0,1,0]=3 4208 B10R1.30 Cc1ccc(c(c1)S[13CH3])Cl 62a_100012356289_200025704644 [1,1,0,0,0,0|0,1,0]=3 4209 B10R1.30 Cc1ccc(c(c1)S[13CH3])Cl 62a_200025704644_100012356289 [1,1,0,0,0,0|0,1,0]=3 4210 B10R1.30 Cc1ccc(c(c1)S[13CH3])F 62a_100000736223_200025704644 [1,1,0,0,0,0|0,1,0]=3 4211 B10R1.30 Cc1ccc(c(c1)S[13CH3])F 62a_200025704644_100000736223 [1,1,0,0,0,0|0,1,0]=3 4212 B10R1.30 Cc1ccc(c(c1)S[13CH3])N 62a_100011356834_200025704644 [1,1,0,0,0,0|0,1,0]=3 4213 B10R1.30 Cc1ccc(c(c1)S[13CH3])N 62a_200025704644_100011356834 [1,1,0,0,0,0|0,1,0]=3 4214 B10R1.30 Cc1ccc(c(c1)S[13CH3])O 62a_100000765521_200025704644 [1,1,0,0,0,0|0,1,0]=3 4215 B10R1.30 Cc1ccc(c(c1)S[13CH3])O 62a_200025704644_100000765521 [1,1,0,0,0,0|0,1,0]=3 4216 B10R1.30 Cc1ccc(c(n1)O[13CH3])Br 34a_100009817604_200025704644 [1,1,0,0,0,0|1,0,0]=3 4217 B10R1.30 Cc1ccc(c(n1)O[13CH3])N 34a_100000687486_200025704644 [1,1,0,0,0,0|1,0,0]=3 4218 B10R1.30 Cc1ccc(c(n1)S[13CH3])C 62a_100009854376_200025704644 [1,1,0,0,0,0|1,1,0]=4 4219 B10R1.30 Cc1ccc(c(n1)S[13CH3])C 62a_200025704644_100009854376 [1,1,0,0,0,0|1,1,0]=4 4220 B10R1.30 Cc1ccc(c(n1)S[13CH3])F 62a_100009817602_200025704644 [1,1,0,0,0,0|1,1,0]=4 4221 B10R1.30 Cc1ccc(c(n1)S[13CH3])F 62a_200025704644_100009817602 [1,1,0,0,0,0|1,1,0]=4 4222 B10R1.30 Cc1ccc(c(n1)S[13CH3])N 62a_100000685570_200025704644 [1,1,0,0,0,0|1,1,0]=4 4223 B10R1.30 Cc1ccc(c(n1)S[13CH3])N 62a_200025704644_100000685570 [1,1,0,0,0,0|1,1,0]=4 4224 B10R1.30 Cc1ccc(c(n1)S[13CH3])O 62a_100000702858_200025704644 [1,1,0,0,0,0|1,1,0]=4 4225 B10R1.30 Cc1ccc(c(n1)S[13CH3])O 62a_200025704644_100000702858 [1,1,0,0,0,0|1,1,0]=4 4226 B10R1.30 Cc1ccc(cc1C#N)O 271570a_203496583355_100000698047 [1,1,0,0,0,0|2,0,0]=4 4227 B10R1.30 Cc1ccc(cc1C=O)O 271570a_203496583355_100011361606 [1,1,0,0,0,0|2,0,0]=4 4228 B10R1.30 Cc1ccc(cc1CO)O 271570a_203496583355_100000700630 [1,1,0,0,0,0|2,0,0]=4 4229 B10R1.30 Cc1ccc(cc1N[13CH3])Br 34a_100000741167_200025704644 [1,1,0,0,0,0|2,0,0]=4 4230 B10R1.30 Cc1ccc(cc1N[13CH3])Br 7a_100000741167_200025704644 [1,1,0,0,0,0|2,0,0]=4 4231 B10R1.30 Cc1ccc(cc1N[13CH3])Cl 34a_100000211374_200025704644 [1,1,0,0,0,0|2,0,0]=4 4232 B10R1.30 Cc1ccc(cc1N[13CH3])Cl 7a_100000211374_200025704644 [1,1,0,0,0,0|2,0,0]=4 4233 B10R1.30 Cc1ccc(cc1N[13CH3])F 34a_100000211107_200025704644 [1,1,0,0,0,0|2,0,0]=4 4234 B10R1.30 Cc1ccc(cc1N[13CH3])F 7a_100000211107_200025704644 [1,1,0,0,0,0|2,0,0]=4 4235 B10R1.30 Cc1ccc(cc1N[13CH3])I 7a_100000761890_200025704644 [1,1,0,0,0,0|2,0,0]=4 4236 B10R1.30 Cc1ccc(cc1N[13CH3])O 34a_100011216113_200025704644 [1,1,0,0,0,0|1,0,0]=3 4237 B10R1.30 Cc1ccc(cc1O[13CH3])Br 34a_100000685420_200025704644 [1,1,0,0,0,0|1,0,0]=3 4238 B10R1.30 Cc1ccc(cc1O[13CH3])Br 7a_100000685420_200025704644 [1,1,0,0,0,0|1,0,0]=3 4239 B10R1.30 Cc1ccc(cc1O[13CH3])Cl 34a_100000756515_200025704644 [1,1,0,0,0,0|1,0,0]=3 4240 B10R1.30 Cc1ccc(cc1O[13CH3])Cl 7a_100000756515_200025704644 [1,1,0,0,0,0|1,0,0]=3 4241 B10R1.30 Cc1ccc(cc1O[13CH3])F 34a_100000690566_200025704644 [1,1,0,0,0,0|1,0,0]=3 4242 B10R1.30 Cc1ccc(cc1O[13CH3])F 7a_100000690566_200025704644 [1,1,0,0,0,0|1,0,0]=3 4243 B10R1.30 Cc1ccc(cc1O[13CH3])I 7a_100000766334_200025704644 [1,1,0,0,0,0|1,0,0]=3 4244 B10R1.30 Cc1ccc(cc1O[13CH3])N 34a_100000759471_200025704644 [1,1,0,0,0,0|1,0,0]=3 4245 B10R1.30 Cc1ccc(cc1O[13CH3])N 7a_100000759471_200025704644 [1,1,0,0,0,0|1,0,0]=3 4246 B10R1.30 Cc1ccc(cc1S[13CH3])Br 62a_100011344865_200025704644 [1,1,0,0,0,0|1,1,0]=4 4247 B10R1.30 Cc1ccc(cc1S[13CH3])Br 62a_200025704644_100011344865 [1,1,0,0,0,0|1,1,0]=4 4248 B10R1.30 Cc1ccc(cc1S[13CH3])Cl 62a_100011263213_200025704644 [1,1,0,0,0,0|1,1,0]=4 4249 B10R1.30 Cc1ccc(cc1S[13CH3])Cl 62a_200025704644_100011263213 [1,1,0,0,0,0|1,1,0]=4 4250 B10R1.30 Cc1ccc(cc1S[13CH3])F 62a_100011218078_200025704644 [1,1,0,0,0,0|1,1,0]=4 4251 B10R1.30 Cc1ccc(cc1S[13CH3])F 62a_200025704644_100011218078 [1,1,0,0,0,0|1,1,0]=4 4252 B10R1.30 Cc1ccc(cc1S[13CH3])N 62a_100000736455_200025704644 [1,1,0,0,0,0|1,1,0]=4 4253 B10R1.30 Cc1ccc(cc1S[13CH3])N 62a_200025704644_100000736455 [1,1,0,0,0,0|1,1,0]=4 4254 B10R1.30 Cc1ccc(cc1S[13CH3])O 62a_100011380479_200025704644 [1,1,0,0,0,0|0,1,0]=3 4255 B10R1.30 Cc1ccc(cc1S[13CH3])O 62a_200025704644_100011380479 [1,1,0,0,0,0|0,1,0]=3 4256 B10R1.30 Cc1cnc(c(c1)O[13CH3])Cl 34a_100012000487_200025704644 [1,1,0,0,0,0|1,0,0]=3 4257 B10R1.30 Cc1cnc(c(c1)O[13CH3])Cl 7a_100012000487_200025704644 [1,1,0,0,0,0|1,0,0]=3 4258 B10R1.30 Cc1cnc(c(c1)O[13CH3])F 34a_100009849810_200025704644 [1,1,0,0,0,0|1,0,0]=3 4259 B10R1.30 Cc1cnc(c(c1)O[13CH3])F 7a_100009849810_200025704644 [1,1,0,0,0,0|1,0,0]=3 4260 B10R1.30 Cc1cnc(c(c1)S[13CH3])C 62a_100009817436_200025704644 [1,1,0,0,0,0|1,1,0]=4 4261 B10R1.30 Cc1cnc(c(c1)S[13CH3])C 62a_200025704644_100009817436 [1,1,0,0,0,0|1,1,0]=4 4262 B10R1.30 Cc1cnc(c(c1)S[13CH3])Cl 62a_100010210167_200025704644 [1,1,0,0,0,0|1,1,0]=4 4263 B10R1.30 Cc1cnc(c(c1)S[13CH3])Cl 62a_200025704644_100010210167 [1,1,0,0,0,0|1,1,0]=4 4264 B10R1.30 Cc1cnc(c(c1)S[13CH3])F 62a_100000049784_200025704644 [1,1,0,0,0,0|1,1,0]=4 4265 B10R1.30 Cc1cnc(c(c1)S[13CH3])F 62a_200025704644_100000049784 [1,1,0,0,0,0|1,1,0]=4 4266 B10R1.30 Cc1cnc(c(c1)S[13CH3])N 62a_100000049664_200025704644 [1,1,0,0,0,0|1,1,0]=4 4267 B10R1.30 Cc1cnc(c(c1)S[13CH3])N 62a_200025704644_100000049664 [1,1,0,0,0,0|1,1,0]=4 4268 B10R1.30 Cc1cnc(c(c1)S[13CH3])O 62a_100000719714_200025704644 [1,1,0,0,0,0|1,1,0]=4 4269 B10R1.30 Cc1cnc(c(c1)S[13CH3])O 62a_200025704644_100000719714 [1,1,0,0,0,0|1,1,0]=4 4270 B10R1.30 Cc1cnc(cc1O[13CH3])Br 34a_100000704368_200025704644 [1,1,0,0,0,0|2,0,0]=4 4271 B10R1.30 Cc1cnc(cc1O[13CH3])Br 7a_100000704368_200025704644 [1,1,0,0,0,0|2,0,0]=4 4272 B10R1.30 Cc1cnc(cc1S[13CH3])O 62a_100009831917_200025704644 [1,1,0,0,0,0|1,1,0]=4 4273 B10R1.30 Cc1cnc(cc1S[13CH3])O 62a_200025704644_100009831917 [1,1,0,0,0,0|1,1,0]=4 4274 B10R1.30 Cc1ncc(cc1O[13CH3])Br 34a_100009864810_200025704644 [1,1,0,0,0,0|2,0,0]=4 4275 B10R1.30 Cc1ncc(cc1O[13CH3])Br 7a_100009864810_200025704644 [1,1,0,0,0,0|2,0,0]=4 4276 B10R1.30 Cc1ncc(cc1S[13CH3])O 62a_100009819603_200025704644 [1,1,0,0,0,0|1,1,0]=4 4277 B10R1.30 Cc1ncc(cc1S[13CH3])O 62a_200025704644_100009819603 [1,1,0,0,0,0|1,1,0]=4 4278 B10R1.30 Cn1ccc(=O)c(c1)S[13CH3] 62a_100010750718_200025704644 [1,1,0,0,0,0|1,1,0]=4 4279 B10R1.30 Cn1ccc(=O)c(c1)S[13CH3] 62a_200025704644_100010750718 [1,1,0,0,0,0|1,1,0]=4 4280 B10R1.30 N#Cc1cc(ccc1Br)O 271570a_203496583355_100012355174 [1,1,0,0,0,0|2,0,0]=4 4281 B10R1.30 N#Cc1cc(ccc1Cl)O 271570a_203496583355_100011356831 [1,1,0,0,0,0|2,0,0]=4 4282 B10R1.30 N#Cc1cc(ccc1F)O 271570a_203496583355_100000037165 [1,1,0,0,0,0|2,0,0]=4 4283 B10R1.30 N#Cc1cc(ccc1N)O 271570a_203496583355_100000688460 [1,1,0,0,0,0|2,0,0]=4 4284 B10R1.30 N#Cc1cc(ccc1O)O 271570a_203496583355_100000687585 [1,1,0,0,0,0|2,0,0]=4 4285 B10R1.30 N#Cc1cc(ccc1O)O 271570a_203496583355_100009818209 [1,1,0,0,0,0|2,0,0]=4 4286 B10R1.30 NCc1cc(ccc1F)O 271570a_203496583355_100009815772 [1,1,0,0,0,0|2,0,0]=4 4287 B10R1.30 NCc1cc(ccc1N)O 271570a_203496583355_100012349119 [1,1,0,0,0,0|2,0,0]=4 4288 B10R1.30 NCc1cc(ccc1O)O 271570a_203496583355_100000730032 [1,1,0,0,0,0|2,0,0]=4 4289 B10R1.30 NNc1cc(ccc1F)O 271570a_203496583355_100020610843 [1,1,0,0,0,0|2,0,0]=4 4290 B10R1.30 Nc1ccc(cc1C=O)O 271570a_203496583355_100011935258 [1,1,0,0,0,0|2,0,0]=4 4291 B10R1.30 Nc1ccc(cc1CO)O 271570a_203496583355_100012353972 [1,1,0,0,0,0|2,0,0]=4 4292 B10R1.30 O=Cc1cc(ccc1Br)O 271570a_203496583355_100010185652 [1,1,0,0,0,0|2,0,0]=4 4293 B10R1.30 O=Cc1cc(ccc1Cl)O 271570a_203496583355_100010254384 [1,1,0,0,0,0|2,0,0]=4 4294 B10R1.30 O=Cc1cc(ccc1F)O 271570a_203496583355_100000211465 [1,1,0,0,0,0|2,0,0]=4 4295 B10R1.30 O=Cc1cc(ccc1O)O 271570a_203496583355_100000186750 [1,1,0,0,0,0|2,0,0]=4 4296 B10R1.30 O=Cc1cc(ccc1O)O 271570a_203496583355_100000690577 [1,1,0,0,0,0|2,0,0]=4 4297 B10R1.30 OCc1cc(ccc1Br)O 271570a_203496583355_100012359683 [1,1,0,0,0,0|2,0,0]=4 4298 B10R1.30 OCc1cc(ccc1Cl)O 271570a_203496583355_100010128486 [1,1,0,0,0,0|2,0,0]=4 4299 B10R1.30 OCc1cc(ccc1F)O 271570a_203496583355_100000049604 [1,1,0,0,0,0|2,0,0]=4 4300 B10R1.30 OCc1cc(ccc1O)O 271570a_203496583355_100000184703 [1,1,0,0,0,0|2,0,0]=4 4301 B10R1.30 OCc1cc(ccc1O)O 271570a_203496583355_100012351483 [1,1,0,0,0,0|2,0,0]=4 4302 B10R1.30 [13CH3]Nc1cc(ccc1Br)Br 34a_100000737762_200025704644 [1,1,0,0,0,0|2,0,0]=4 4303 B10R1.30 [13CH3]Nc1cc(ccc1Br)Cl 34a_100000687073_200025704644 [1,1,0,0,0,0|2,0,0]=4 4304 B10R1.30 [13CH3]Nc1cc(ccc1Br)F 34a_100000687223_200025704644 [1,1,0,0,0,0|2,0,0]=4 4305 B10R1.30 [13CH3]Nc1cc(ccc1Br)O 34a_100011999798_200025704644 [1,1,0,0,0,0|1,0,0]=3 4306 B10R1.30 [13CH3]Nc1cc(ccc1Cl)Br 34a_100000750497_200025704644 [1,1,0,0,0,0|2,0,0]=4 4307 B10R1.30 [13CH3]Nc1cc(ccc1Cl)Cl 34a_100000184485_200025704644 [1,1,0,0,0,0|2,0,0]=4 4308 B10R1.30 [13CH3]Nc1cc(ccc1Cl)F 34a_100000751338_200025704644 [1,1,0,0,0,0|2,0,0]=4 4309 B10R1.30 [13CH3]Nc1cc(ccc1Cl)I 34a_200000761891_200025704644 [1,1,0,0,0,0|2,0,0]=4 4310 B10R1.30 [13CH3]Nc1cc(ccc1Cl)O 34a_100011934297_200025704644 [1,1,0,0,0,0|1,0,0]=3 4311 B10R1.30 [13CH3]Nc1cc(ccc1F)Br 34a_100000740924_200025704644 [1,1,0,0,0,0|2,0,0]=4 4312 B10R1.30 [13CH3]Nc1cc(ccc1F)Cl 34a_100000212115_200025704644 [1,1,0,0,0,0|2,0,0]=4 4313 B10R1.30 [13CH3]Nc1cc(ccc1F)F 34a_100000210742_200025704644 [1,1,0,0,0,0|2,0,0]=4 4314 B10R1.30 [13CH3]Nc1cc(ccc1F)I 34a_100011464823_200025704644 [1,1,0,0,0,0|2,0,0]=4 4315 B10R1.30 [13CH3]Nc1cc(ccc1F)O 34a_100012017239_200025704644 [1,1,0,0,0,0|1,0,0]=3 4316 B10R1.30 [13CH3]Nc1cc(ccc1I)Br 34a_100000743836_200025704644 [1,1,0,0,0,0|2,0,0]=4 4317 B10R1.30 [13CH3]Nc1cc(ccc1I)Cl 34a_100000761886_200025704644 [1,1,0,0,0,0|2,0,0]=4 4318 B10R1.30 [13CH3]Nc1cc(ccc1I)F 34a_100011218093_200025704644 [1,1,0,0,0,0|2,0,0]=4 4319 B10R1.30 [13CH3]Nc1cc(ccc1O)Br 34a_100000752626_200025704644 [1,1,0,0,0,0|2,0,0]=4 4320 B10R1.30 [13CH3]Nc1cc(ccc1O)Cl 34a_100000210500_200025704644 [1,1,0,0,0,0|2,0,0]=4 4321 B10R1.30 [13CH3]Nc1cc(ccc1O)F 34a_100000759472_200025704644 [1,1,0,0,0,0|2,0,0]=4 4322 B10R1.30 [13CH3]Oc1cc(=O)[nH]cc1Cl 34a_100000069390_200025704644 [1,1,0,0,0,0|1,0,1]=4 4323 B10R1.30 [13CH3]Oc1cc(ccc1Br)Br 34a_100011220040_200025704644 [1,1,0,0,0,0|1,0,0]=3 4324 B10R1.30 [13CH3]Oc1cc(ccc1Br)Br 7a_100011220040_200025704644 [1,1,0,0,0,0|1,0,0]=3 4325 B10R1.30 [13CH3]Oc1cc(ccc1Br)Cl 34a_100012339455_200025704644 [1,1,0,0,0,0|1,0,0]=3 4326 B10R1.30 [13CH3]Oc1cc(ccc1Br)Cl 7a_100012339455_200025704644 [1,1,0,0,0,0|1,0,0]=3 4327 B10R1.30 [13CH3]Oc1cc(ccc1Br)F 34a_100000690578_200025704644 [1,1,0,0,0,0|1,0,0]=3 4328 B10R1.30 [13CH3]Oc1cc(ccc1Br)F 7a_100000690578_200025704644 [1,1,0,0,0,0|1,0,0]=3 4329 B10R1.30 [13CH3]Oc1cc(ccc1Br)I 34a_100012356990_200025704644 [1,1,0,0,0,0|1,0,0]=3 4330 B10R1.30 [13CH3]Oc1cc(ccc1Br)I 7a_100012356990_200025704644 [1,1,0,0,0,0|1,0,0]=3 4331 B10R1.30 [13CH3]Oc1cc(ccc1Cl)Br 34a_100000738945_200025704644 [1,1,0,0,0,0|1,0,0]=3 4332 B10R1.30 [13CH3]Oc1cc(ccc1Cl)Br 7a_100000738945_200025704644 [1,1,0,0,0,0|1,0,0]=3 4333 B10R1.30 [13CH3]Oc1cc(ccc1Cl)Cl 34a_100000211422_200025704644 [1,1,0,0,0,0|1,0,0]=3 4334 B10R1.30 [13CH3]Oc1cc(ccc1Cl)Cl 7a_100000211422_200025704644 [1,1,0,0,0,0|1,0,0]=3 4335 B10R1.30 [13CH3]Oc1cc(ccc1Cl)F 34a_100000692107_200025704644 [1,1,0,0,0,0|1,0,0]=3 4336 B10R1.30 [13CH3]Oc1cc(ccc1Cl)F 7a_100000692107_200025704644 [1,1,0,0,0,0|1,0,0]=3 4337 B10R1.30 [13CH3]Oc1cc(ccc1Cl)I 34a_100011356854_200025704644 [1,1,0,0,0,0|1,0,0]=3 4338 B10R1.30 [13CH3]Oc1cc(ccc1Cl)I 7a_100011356854_200025704644 [1,1,0,0,0,0|1,0,0]=3 4339 B10R1.30 [13CH3]Oc1cc(ccc1Cl)N 34a_100011934209_200025704644 [1,1,0,0,0,0|1,0,0]=3 4340 B10R1.30 [13CH3]Oc1cc(ccc1F)Br 34a_100000686035_200025704644 [1,1,0,0,0,0|1,0,0]=3 4341 B10R1.30 [13CH3]Oc1cc(ccc1F)Br 7a_100000686035_200025704644 [1,1,0,0,0,0|1,0,0]=3 4342 B10R1.30 [13CH3]Oc1cc(ccc1F)Cl 34a_100000757397_200025704644 [1,1,0,0,0,0|1,0,0]=3 4343 B10R1.30 [13CH3]Oc1cc(ccc1F)Cl 7a_100000757397_200025704644 [1,1,0,0,0,0|1,0,0]=3 4344 B10R1.30 [13CH3]Oc1cc(ccc1F)F 34a_100000752141_200025704644 [1,1,0,0,0,0|1,0,0]=3 4345 B10R1.30 [13CH3]Oc1cc(ccc1F)F 7a_100000752141_200025704644 [1,1,0,0,0,0|1,0,0]=3 4346 B10R1.30 [13CH3]Oc1cc(ccc1F)I 34a_100009958187_200025704644 [1,1,0,0,0,0|1,0,0]=3 4347 B10R1.30 [13CH3]Oc1cc(ccc1F)I 7a_100009958187_200025704644 [1,1,0,0,0,0|1,0,0]=3 4348 B10R1.30 [13CH3]Oc1cc(ccc1F)N 34a_100012017398_200025704644 [1,1,0,0,0,0|1,0,0]=3 4349 B10R1.30 [13CH3]Oc1cc(ccc1F)N 7a_100012017398_200025704644 [1,1,0,0,0,0|1,0,0]=3 4350 B10R1.30 [13CH3]Oc1cc(ccc1I)Br 34a_100012344904_200025704644 [1,1,0,0,0,0|1,0,0]=3 4351 B10R1.30 [13CH3]Oc1cc(ccc1I)Br 7a_100012344904_200025704644 [1,1,0,0,0,0|1,0,0]=3 4352 B10R1.30 [13CH3]Oc1cc(ccc1I)Cl 34a_100000050036_200025704644 [1,1,0,0,0,0|1,0,0]=3 4353 B10R1.30 [13CH3]Oc1cc(ccc1I)Cl 7a_100000050036_200025704644 [1,1,0,0,0,0|1,0,0]=3 4354 B10R1.30 [13CH3]Oc1cc(ccc1I)F 34a_100010084537_200025704644 [1,1,0,0,0,0|1,0,0]=3 4355 B10R1.30 [13CH3]Oc1cc(ccc1I)F 7a_100010084537_200025704644 [1,1,0,0,0,0|1,0,0]=3 4356 B10R1.30 [13CH3]Oc1cc(ccc1N)Br 34a_100000739049_200025704644 [1,1,0,0,0,0|1,0,0]=3 4357 B10R1.30 [13CH3]Oc1cc(ccc1N)Br 7a_100000739049_200025704644 [1,1,0,0,0,0|1,0,0]=3 4358 B10R1.30 [13CH3]Oc1cc(ccc1N)Cl 34a_100000185728_200025704644 [1,1,0,0,0,0|1,0,0]=3 4359 B10R1.30 [13CH3]Oc1cc(ccc1N)Cl 7a_100000185728_200025704644 [1,1,0,0,0,0|1,0,0]=3 4360 B10R1.30 [13CH3]Oc1cc(ccc1N)F 34a_100000753323_200025704644 [1,1,0,0,0,0|1,0,0]=3 4361 B10R1.30 [13CH3]Oc1cc(ccc1N)F 7a_100000753323_200025704644 [1,1,0,0,0,0|1,0,0]=3 4362 B10R1.30 [13CH3]Oc1cc(ccc1N)I 34a_100000057187_200025704644 [1,1,0,0,0,0|1,0,0]=3 4363 B10R1.30 [13CH3]Oc1cc(ccc1N)I 7a_100000057187_200025704644 [1,1,0,0,0,0|1,0,0]=3 4364 B10R1.30 [13CH3]Oc1cc(ccc1N)N 34a_100025717382_200025704644 [1,1,0,0,0,0|1,0,0]=3 4365 B10R1.30 [13CH3]Oc1cc(cnc1Br)Cl 34a_100000697010_200025704644 [1,1,0,0,0,0|2,0,0]=4 4366 B10R1.30 [13CH3]Oc1cc(cnc1Br)Cl 7a_100000697010_200025704644 [1,1,0,0,0,0|2,0,0]=4 4367 B10R1.30 [13CH3]Oc1cc(cnc1Br)F 34a_100009820119_200025704644 [1,1,0,0,0,0|2,0,0]=4 4368 B10R1.30 [13CH3]Oc1cc(cnc1Br)F 7a_100009820119_200025704644 [1,1,0,0,0,0|2,0,0]=4 4369 B10R1.30 [13CH3]Oc1cc(cnc1Cl)Br 34a_100012354860_200025704644 [1,1,0,0,0,0|2,0,0]=4 4370 B10R1.30 [13CH3]Oc1cc(cnc1Cl)Br 7a_100012354860_200025704644 [1,1,0,0,0,0|2,0,0]=4 4371 B10R1.30 [13CH3]Oc1cc(cnc1Cl)F 34a_100000079967_200025704644 [1,1,0,0,0,0|2,0,0]=4 4372 B10R1.30 [13CH3]Oc1cc(cnc1Cl)F 7a_100000079967_200025704644 [1,1,0,0,0,0|2,0,0]=4 4373 B10R1.30 [13CH3]Oc1cc(cnc1F)Br 34a_100009819871_200025704644 [1,1,0,0,0,0|2,0,0]=4 4374 B10R1.30 [13CH3]Oc1cc(cnc1F)Br 7a_100009819871_200025704644 [1,1,0,0,0,0|2,0,0]=4 4375 B10R1.30 [13CH3]Oc1cc(cnc1F)Cl 34a_100000094372_200025704644 [1,1,0,0,0,0|2,0,0]=4 4376 B10R1.30 [13CH3]Oc1cc(cnc1F)Cl 7a_100000094372_200025704644 [1,1,0,0,0,0|2,0,0]=4 4377 B10R1.30 [13CH3]Oc1cc(cnc1I)Br 34a_100010210634_200025704644 [1,1,0,0,0,0|2,0,0]=4 4378 B10R1.30 [13CH3]Oc1cc(cnc1I)Br 7a_100010210634_200025704644 [1,1,0,0,0,0|2,0,0]=4 4379 B10R1.30 [13CH3]Oc1cc(cnc1I)Cl 34a_100010233512_200025704644 [1,1,0,0,0,0|2,0,0]=4 4380 B10R1.30 [13CH3]Oc1cc(cnc1I)Cl 7a_100010233512_200025704644 [1,1,0,0,0,0|2,0,0]=4 4381 B10R1.30 [13CH3]Oc1cc(cnc1I)F 34a_100015624800_200025704644 [1,1,0,0,0,0|2,0,0]=4 4382 B10R1.30 [13CH3]Oc1cc(cnc1I)F 7a_100015624800_200025704644 [1,1,0,0,0,0|2,0,0]=4 4383 B10R1.30 [13CH3]Oc1cc(cnc1N)Br 34a_100009819042_200025704644 [1,1,0,0,0,0|2,0,0]=4 4384 B10R1.30 [13CH3]Oc1cc(cnc1N)Br 7a_100009819042_200025704644 [1,1,0,0,0,0|2,0,0]=4 4385 B10R1.30 [13CH3]Oc1cc(cnc1N)Cl 34a_100000123674_200025704644 [1,1,0,0,0,0|2,0,0]=4 4386 B10R1.30 [13CH3]Oc1cc(cnc1N)Cl 7a_100000123674_200025704644 [1,1,0,0,0,0|2,0,0]=4 4387 B10R1.30 [13CH3]Oc1cc(cnc1N)F 34a_100000094369_200025704644 [1,1,0,0,0,0|2,0,0]=4 4388 B10R1.30 [13CH3]Oc1cc(cnc1N)F 7a_100000094369_200025704644 [1,1,0,0,0,0|2,0,0]=4 4389 B10R1.30 [13CH3]Oc1cc(ncc1Br)Br 34a_100010235016_200025704644 [1,1,0,0,0,0|2,0,0]=4 4390 B10R1.30 [13CH3]Oc1cc(ncc1Br)Cl 34a_100010173860_200025704644 [1,1,0,0,0,0|2,0,0]=4 4391 B10R1.30 [13CH3]Oc1cc(ncc1Cl)Br 34a_100010173861_200025704644 [1,1,0,0,0,0|2,0,0]=4 4392 B10R1.30 [13CH3]Oc1cc(ncc1F)Br 34a_100009854642_200025704644 [1,1,0,0,0,0|2,0,0]=4 4393 B10R1.30 [13CH3]Oc1cc(ncc1F)Cl 34a_100009851168_200025704644 [1,1,0,0,0,0|2,0,0]=4 4394 B10R1.30 [13CH3]Oc1nc(ccc1F)Cl 34a_100010729010_200025704644 [1,1,0,0,0,0|2,0,0]=4 4395 B10R1.30 [13CH3]Sc1cc(ccc1Br)Br 62a_100011483371_200025704644 [1,1,0,0,0,0|1,1,0]=4 4396 B10R1.30 [13CH3]Sc1cc(ccc1Br)Br 62a_200025704644_100011483371 [1,1,0,0,0,0|1,1,0]=4 4397 B10R1.30 [13CH3]Sc1cc(ccc1Br)Cl 62a_100012339723_200025704644 [1,1,0,0,0,0|1,1,0]=4 4398 B10R1.30 [13CH3]Sc1cc(ccc1Br)Cl 62a_200025704644_100012339723 [1,1,0,0,0,0|1,1,0]=4 4399 B10R1.30 [13CH3]Sc1cc(ccc1Br)F 62a_100011217576_200025704644 [1,1,0,0,0,0|1,1,0]=4 4400 B10R1.30 [13CH3]Sc1cc(ccc1Br)F 62a_200025704644_100011217576 [1,1,0,0,0,0|1,1,0]=4 4401 B10R1.30 [13CH3]Sc1cc(ccc1Br)N 62a_100000750459_200025704644 [1,1,0,0,0,0|1,1,0]=4 4402 B10R1.30 [13CH3]Sc1cc(ccc1Br)N 62a_200025704644_100000750459 [1,1,0,0,0,0|1,1,0]=4 4403 B10R1.30 [13CH3]Sc1cc(ccc1Br)O 62a_100012339312_200025704644 [1,1,0,0,0,0|0,1,0]=3 4404 B10R1.30 [13CH3]Sc1cc(ccc1Br)O 62a_200025704644_100012339312 [1,1,0,0,0,0|0,1,0]=3 4405 B10R1.30 [13CH3]Sc1cc(ccc1Cl)Br 62a_100011772130_200025704644 [1,1,0,0,0,0|1,1,0]=4 4406 B10R1.30 [13CH3]Sc1cc(ccc1Cl)Br 62a_200025704644_100011772130 [1,1,0,0,0,0|1,1,0]=4 4407 B10R1.30 [13CH3]Sc1cc(ccc1Cl)Cl 62a_100000707729_200025704644 [1,1,0,0,0,0|1,1,0]=4 4408 B10R1.30 [13CH3]Sc1cc(ccc1Cl)Cl 62a_200025704644_100000707729 [1,1,0,0,0,0|1,1,0]=4 4409 B10R1.30 [13CH3]Sc1cc(ccc1Cl)F 62a_100011217299_200025704644 [1,1,0,0,0,0|1,1,0]=4 4410 B10R1.30 [13CH3]Sc1cc(ccc1Cl)F 62a_200025704644_100011217299 [1,1,0,0,0,0|1,1,0]=4 4411 B10R1.30 [13CH3]Sc1cc(ccc1Cl)N 62a_100012360549_200025704644 [1,1,0,0,0,0|1,1,0]=4 4412 B10R1.30 [13CH3]Sc1cc(ccc1Cl)N 62a_200025704644_100012360549 [1,1,0,0,0,0|1,1,0]=4 4413 B10R1.30 [13CH3]Sc1cc(ccc1Cl)O 62a_100000049588_200025704644 [1,1,0,0,0,0|0,1,0]=3 4414 B10R1.30 [13CH3]Sc1cc(ccc1Cl)O 62a_200025704644_100000049588 [1,1,0,0,0,0|0,1,0]=3 4415 B10R1.30 [13CH3]Sc1cc(ccc1F)Br 62a_100011217312_200025704644 [1,1,0,0,0,0|1,1,0]=4 4416 B10R1.30 [13CH3]Sc1cc(ccc1F)Br 62a_200025704644_100011217312 [1,1,0,0,0,0|1,1,0]=4 4417 B10R1.30 [13CH3]Sc1cc(ccc1F)Cl 62a_100011218116_200025704644 [1,1,0,0,0,0|1,1,0]=4 4418 B10R1.30 [13CH3]Sc1cc(ccc1F)Cl 62a_200025704644_100011218116 [1,1,0,0,0,0|1,1,0]=4 4419 B10R1.30 [13CH3]Sc1cc(ccc1F)F 62a_100011219198_200025704644 [1,1,0,0,0,0|1,1,0]=4 4420 B10R1.30 [13CH3]Sc1cc(ccc1F)F 62a_200025704644_100011219198 [1,1,0,0,0,0|1,1,0]=4 4421 B10R1.30 [13CH3]Sc1cc(ccc1F)N 62a_100000760356_200025704644 [1,1,0,0,0,0|1,1,0]=4 4422 B10R1.30 [13CH3]Sc1cc(ccc1F)N 62a_200025704644_100000760356 [1,1,0,0,0,0|1,1,0]=4 4423 B10R1.30 [13CH3]Sc1cc(ccc1F)O 62a_100000693481_200025704644 [1,1,0,0,0,0|0,1,0]=3 4424 B10R1.30 [13CH3]Sc1cc(ccc1F)O 62a_200025704644_100000693481 [1,1,0,0,0,0|0,1,0]=3 4425 B10R1.30 [13CH3]Sc1cc(ccc1N)Br 62a_100000187925_200025704644 [1,1,0,0,0,0|1,1,0]=4 4426 B10R1.30 [13CH3]Sc1cc(ccc1N)Br 62a_200025704644_100000187925 [1,1,0,0,0,0|1,1,0]=4 4427 B10R1.30 [13CH3]Sc1cc(ccc1N)Cl 62a_100000761889_200025704644 [1,1,0,0,0,0|1,1,0]=4 4428 B10R1.30 [13CH3]Sc1cc(ccc1N)Cl 62a_200025704644_100000761889 [1,1,0,0,0,0|1,1,0]=4 4429 B10R1.30 [13CH3]Sc1cc(ccc1N)F 62a_100000760547_200025704644 [1,1,0,0,0,0|1,1,0]=4 4430 B10R1.30 [13CH3]Sc1cc(ccc1N)F 62a_200025704644_100000760547 [1,1,0,0,0,0|1,1,0]=4 4431 B10R1.30 [13CH3]Sc1cc(ccc1N)N 62a_100011534242_200025704644 [1,1,0,0,0,0|1,1,0]=4 4432 B10R1.30 [13CH3]Sc1cc(ccc1N)N 62a_200025704644_100011534242 [1,1,0,0,0,0|1,1,0]=4 4433 B10R1.30 [13CH3]Sc1cc(ccc1N)O 62a_100012001276_200025704644 [1,1,0,0,0,0|0,1,0]=3 4434 B10R1.30 [13CH3]Sc1cc(ccc1N)O 62a_200025704644_100012001276 [1,1,0,0,0,0|0,1,0]=3 4435 B10R1.30 [13CH3]Sc1cc(ccc1O)Br 62a_100012355227_200025704644 [1,1,0,0,0,0|1,1,0]=4 4436 B10R1.30 [13CH3]Sc1cc(ccc1O)Br 62a_200025704644_100012355227 [1,1,0,0,0,0|1,1,0]=4 4437 B10R1.30 [13CH3]Sc1cc(ccc1O)Cl 62a_100011356953_200025704644 [1,1,0,0,0,0|1,1,0]=4 4438 B10R1.30 [13CH3]Sc1cc(ccc1O)Cl 62a_200025704644_100011356953 [1,1,0,0,0,0|1,1,0]=4 4439 B10R1.30 [13CH3]Sc1cc(ccc1O)F 62a_100000211999_200025704644 [1,1,0,0,0,0|1,1,0]=4 4440 B10R1.30 [13CH3]Sc1cc(ccc1O)F 62a_200025704644_100000211999 [1,1,0,0,0,0|1,1,0]=4 4441 B10R1.30 [13CH3]Sc1cc(ccc1O)N 62a_100011534360_200025704644 [1,1,0,0,0,0|1,1,0]=4 4442 B10R1.30 [13CH3]Sc1cc(ccc1O)N 62a_200025704644_100011534360 [1,1,0,0,0,0|1,1,0]=4 4443 B10R1.30 [13CH3]Sc1cc(ccc1O)O 62a_200025704644_100009813629 [1,1,0,0,0,0|0,1,0]=3 4444 B10R1.30 [13CH3]Sc1cc(cnc1F)O 62a_100009817267_200025704644 [1,1,0,0,0,0|1,1,0]=4 4445 B10R1.30 [13CH3]Sc1cc(cnc1F)O 62a_200025704644_100009817267 [1,1,0,0,0,0|1,1,0]=4 4446 B10R1.113 C=C(C)c1cc(ccn1)C 271570a_100000694244_100000750283 [1,1,0,0,0,0|2,0,0]=4 4447 B10R1.113 C=C(C)c1cc(ccn1)O 271570a_100000694244_100000762945 [1,1,0,0,0,0|2,0,0]=4 4448 B10R1.113 C=C(C)c1ccc[n+](c1)C 271570a_100000694244_100009996589 [1,1,0,0,0,0|2,0,0]=4 4449 B10R1.113 C=C(C)c1cccc(c1)Br 271570a_100000694244_100000691529 [1,1,0,0,0,0|2,0,0]=4 4450 B10R1.113 C=C(C)c1cccc(c1)C 271570a_100000694244_100011215228 [1,1,0,0,0,0|1,0,0]=3 4451 B10R1.113 C=C(C)c1cccc(c1)Cl 271570a_100000694244_100000699651 [1,1,0,0,0,0|2,0,0]=4 4452 B10R1.113 C=C(C)c1cccc(c1)F 271570a_100000694244_100000685547 [1,1,0,0,0,0|2,0,0]=4 4453 B10R1.113 C=C(C)c1cccc(c1)N 271570a_100000694244_100000210019 [1,1,0,0,0,0|2,0,0]=4 4454 B10R1.113 C=C(C)c1cccc(c1)O 271570a_100000694244_100000211634 [1,1,0,0,0,0|1,0,0]=3 4455 B10R1.113 C=C(C)c1cccc(c1)O 271570a_203496583355_100012123953 [1,1,0,0,0,0|1,0,0]=3 4456 B10R1.113 C=C(C)c1cccc(c1)[S] 271570a_100000694244_114929384022 [1,1,0,0,0,0|1,1,0]=4 4457 B10R1.113 C=C(C)c1cccc(n1)C 271570a_100000694244_100000742759 [1,1,0,0,0,0|2,0,0]=4 4458 B10R1.113 C=C(C)c1ccnc(c1)C 271570a_100000694244_100000758586 [1,1,0,0,0,0|2,0,0]=4 4459 B10R1.113 C=C(C)c1cncc(c1)C 271570a_100000694244_100000760492 [1,1,0,0,0,0|2,0,0]=4 4460 B10R1.113 C=C(C)c1cncc(c1)O 271570a_100000694244_100000754920 [1,1,0,0,0,0|2,0,0]=4 4461 B10R1.113 C=C(C)c1cncc(c1)O 271570a_203496583355_200009889500 [1,1,0,0,0,0|2,0,0]=4 4462 B10R1.113 CC(=O)c1cc(ccn1)O 271570a_203496583355_100000709912 [1,1,0,0,0,0|2,0,0]=4 4463 B10R1.113 CC(=O)c1cccc(c1)Br 1458a_100000210664_200000210301 [1,1,0,0,0,0|2,0,0]=4 4464 B10R1.113 CC(=O)c1cccc(c1)C 1458a_100000189346_200000210301 [1,1,0,0,0,0|1,0,0]=3 4465 B10R1.113 CC(=O)c1cccc(c1)Cl 1458a_100000210390_200000210301 [1,1,0,0,0,0|2,0,0]=4 4466 B10R1.113 CC(=O)c1cccc(c1)F 1458a_100000210950_200000210301 [1,1,0,0,0,0|2,0,0]=4 4467 B10R1.113 CC(=O)c1cccc(c1)I 1458a_100000184098_200000210301 [1,1,0,0,0,0|2,0,0]=4 4468 B10R1.113 CC(=O)c1cccc(c1)O 1458a_100000183914_200000210301 [1,1,0,0,0,0|1,0,0]=3 4469 B10R1.113 CC(=O)c1cccc(c1)O 271570a_203496583355_100000210093 [1,1,0,0,0,0|1,0,0]=3 4470 B10R1.113 CC(=O)c1cccc(n1)O 271570a_203496583355_100009816502 [1,1,0,0,0,0|2,0,0]=4 4471 B10R1.113 CC(=O)c1ccnc(c1)O 271570a_203496583355_100000685609 [1,1,0,0,0,0|2,0,0]=4 4472 B10R1.113 CC(=O)c1cncc(c1)O 271570a_203496583355_100011216243 [1,1,0,0,0,0|2,0,0]=4 4473 B10R1.113 CC(C)c1cc(ccn1)O 271570a_203496583355_100010237922 [1,1,0,0,0,0|2,0,0]=4 4474 B10R1.113 CC(C)c1cccc(c1)O 271570a_203496583355_100011214899 [1,1,0,0,0,0|1,0,0]=3 4475 B10R1.113 CC(C)c1cccc(n1)O 271570a_203496583355_100012318657 [1,1,0,0,0,0|2,0,0]=4 4476 B10R1.113 CC(C)c1ccnc(c1)O 271570a_203496583355_100010237925 [1,1,0,0,0,0|2,0,0]=4 4477 B10R1.113 CC(C)c1cncc(c1)O 271570a_203496583355_200010191214 [1,1,0,0,0,0|2,0,0]=4 4478 B10R1.113 CC(N)c1cccc(c1)O 271570a_203496583355_100020642005 [1,1,0,0,0,0|1,0,0]=3 4479 B10R1.113 CC(N)c1cccc(n1)O 271570a_203496583355_200010173468 [1,1,0,0,0,0|2,0,0]=4 4480 B10R1.113 CC(O)c1cc(ccn1)O 271570a_203496583355_100000144657 [1,1,0,0,0,0|2,0,0]=4 4481 B10R1.113 CC(O)c1cccc(c1)O 271570a_203496583355_100000246457 [1,1,0,0,0,0|1,0,0]=3 4482 B10R1.113 CC(O)c1cccc(n1)O 271570a_203496583355_100009820884 [1,1,0,0,0,0|2,0,0]=4 4483 B10R1.113 CC(O)c1cncc(c1)O 271570a_203496583355_100012351597 [1,1,0,0,0,0|2,0,0]=4 4484 B10R1.113 CN(C)c1cc(ccn1)O 271570a_203496583355_100012361627 [1,1,0,0,0,0|2,0,0]=4 4485 B10R1.113 CN(C)c1cccc(c1)Br 2230a_100000219648_200000210301 [1,1,0,0,0,0|2,0,0]=4 4486 B10R1.113 CN(C)c1cccc(c1)Br 269982a_100000219648_200000210301 [1,1,0,0,0,0|2,0,0]=4 4487 B10R1.113 CN(C)c1cccc(c1)Br 34a_100000219648_200000210301 [1,1,0,0,0,0|2,0,0]=4 4488 B10R1.113 CN(C)c1cccc(c1)Cl 2230a_100000220044_200000210301 [1,1,0,0,0,0|2,0,0]=4 4489 B10R1.113 CN(C)c1cccc(c1)Cl 269982a_100000220044_200000210301 [1,1,0,0,0,0|2,0,0]=4 4490 B10R1.113 CN(C)c1cccc(c1)Cl 34a_100000220044_200000210301 [1,1,0,0,0,0|2,0,0]=4 4491 B10R1.113 CN(C)c1cccc(c1)F 2230a_100020633736_200000210301 [1,1,0,0,0,0|2,0,0]=4 4492 B10R1.113 CN(C)c1cccc(c1)F 269982a_100020633736_200000210301 [1,1,0,0,0,0|2,0,0]=4 4493 B10R1.113 CN(C)c1cccc(c1)F 34a_100020633736_200000210301 [1,1,0,0,0,0|2,0,0]=4 4494 B10R1.113 CN(C)c1cccc(c1)I 2230a_100000221217_200000210301 [1,1,0,0,0,0|2,0,0]=4 4495 B10R1.113 CN(C)c1cccc(c1)I 269982a_100000221217_200000210301 [1,1,0,0,0,0|2,0,0]=4 4496 B10R1.113 CN(C)c1cccc(c1)I 34a_100000221217_200000210301 [1,1,0,0,0,0|2,0,0]=4 4497 B10R1.113 CN(C)c1cccc(c1)O 2230a_100000756613_200000210301 [1,1,0,0,0,0|1,0,0]=3 4498 B10R1.113 CN(C)c1cccc(c1)O 269982a_100000756613_200000210301 [1,1,0,0,0,0|1,0,0]=3 4499 B10R1.113 CN(C)c1cccc(c1)O 271570a_203496583355_100011215952 [1,1,0,0,0,0|1,0,0]=3 4500 B10R1.113 CN(C)c1cccc(c1)O 34a_100000756613_200000210301 [1,1,0,0,0,0|1,0,0]=3 4501 B10R1.113 CN(C)c1cccc(n1)O 271570a_203496583355_100011960435 [1,1,0,0,0,0|2,0,0]=4 4502 B10R1.113 CN(C)c1ccnc(c1)O 271570a_203496583355_100000766659 [1,1,0,0,0,0|2,0,0]=4 4503 B10R1.113 CN(C)c1cncc(c1)O 271570a_203496583355_100012350714 [1,1,0,0,0,0|2,0,0]=4 4504 B10R1.113 CN([13CH3])c1cccc(c1)Br 2230a_100000219648_200025704644 [1,1,0,0,0,0|2,0,0]=4 4505 B10R1.113 CN([13CH3])c1cccc(c1)Br 269982a_100000219648_200025704644 [1,1,0,0,0,0|2,0,0]=4 4506 B10R1.113 CN([13CH3])c1cccc(c1)Br 34a_100000219648_200025704644 [1,1,0,0,0,0|2,0,0]=4 4507 B10R1.113 CN([13CH3])c1cccc(c1)Cl 2230a_100000220044_200025704644 [1,1,0,0,0,0|2,0,0]=4 4508 B10R1.113 CN([13CH3])c1cccc(c1)Cl 269982a_100000220044_200025704644 [1,1,0,0,0,0|2,0,0]=4 4509 B10R1.113 CN([13CH3])c1cccc(c1)Cl 34a_100000220044_200025704644 [1,1,0,0,0,0|2,0,0]=4 4510 B10R1.113 CN([13CH3])c1cccc(c1)F 2230a_100020633736_200025704644 [1,1,0,0,0,0|2,0,0]=4 4511 B10R1.113 CN([13CH3])c1cccc(c1)F 269982a_100020633736_200025704644 [1,1,0,0,0,0|2,0,0]=4 4512 B10R1.113 CN([13CH3])c1cccc(c1)F 34a_100020633736_200025704644 [1,1,0,0,0,0|2,0,0]=4 4513 B10R1.113 CN([13CH3])c1cccc(c1)I 2230a_100000221217_200025704644 [1,1,0,0,0,0|2,0,0]=4 4514 B10R1.113 CN([13CH3])c1cccc(c1)I 269982a_100000221217_200025704644 [1,1,0,0,0,0|2,0,0]=4 4515 B10R1.113 CN([13CH3])c1cccc(c1)I 34a_100000221217_200025704644 [1,1,0,0,0,0|2,0,0]=4 4516 B10R1.113 CN([13CH3])c1cccc(c1)O 2230a_100000756613_200025704644 [1,1,0,0,0,0|1,0,0]=3 4517 B10R1.113 CN([13CH3])c1cccc(c1)O 269982a_100000756613_200025704644 [1,1,0,0,0,0|1,0,0]=3 4518 B10R1.113 CN([13CH3])c1cccc(c1)O 34a_100000756613_200025704644 [1,1,0,0,0,0|1,0,0]=3 4519 B10R1.113 CS(=O)c1cccc(c1)O 271570a_203496583355_100009816267 [1,1,0,0,0,0|0,1,0]=3 4520 B10R1.113 C[C@@H](N)c1cncc(c1)O 271570a_203496583355_100012350620 [1,1,0,0,0,0|2,0,0]=4 4521 B10R1.113 Cc1cc(ccn1)N(C)C 27a_100102631434_100000758586 [1,1,0,0,0,0|2,0,0]=4 4522 B10R1.113 Cc1cccc(c1)C(=O)[13CH3] 1458a_100000189346_200025704644 [1,1,0,0,0,0|1,0,0]=3 4523 B10R1.113 Cc1cccc(c1)N(C)C 2230a_100000219674_200000210301 [1,1,0,0,0,0|1,0,0]=3 4524 B10R1.113 Cc1cccc(c1)N(C)C 269982a_100000219674_200000210301 [1,1,0,0,0,0|1,0,0]=3 4525 B10R1.113 Cc1cccc(c1)N(C)C 34a_100000219674_200000210301 [1,1,0,0,0,0|1,0,0]=3 4526 B10R1.113 Cc1cccc(c1)N(C)[13CH3] 2230a_100000219674_200025704644 [1,1,0,0,0,0|1,0,0]=3 4527 B10R1.113 Cc1cccc(c1)N(C)[13CH3] 269982a_100000219674_200025704644 [1,1,0,0,0,0|1,0,0]=3 4528 B10R1.113 Cc1cccc(c1)N(C)[13CH3] 34a_100000219674_200025704644 [1,1,0,0,0,0|1,0,0]=3 4529 B10R1.113 NC(=O)c1cccc(c1)O 271570a_203496583355_100000162208 [1,1,0,0,0,0|2,0,0]=4 4530 B10R1.113 OB(O)c1cccc(c1)O 271570a_203496583355_100000687717 [1,1,0,0,0,0|2,0,0]=4 4531 B10R1.113 Oc1cccc(c1)C(F)F 271570a_203496583355_100009892619 [1,1,0,0,0,0|2,0,0]=4 4532 B10R1.113 [13CH3]C(=O)c1cccc(c1)Br 1458a_100000210664_200025704644 [1,1,0,0,0,0|2,0,0]=4 4533 B10R1.113 [13CH3]C(=O)c1cccc(c1)Cl 1458a_100000210390_200025704644 [1,1,0,0,0,0|2,0,0]=4 4534 B10R1.113 [13CH3]C(=O)c1cccc(c1)F 1458a_100000210950_200025704644 [1,1,0,0,0,0|2,0,0]=4 4535 B10R1.113 [13CH3]C(=O)c1cccc(c1)I 1458a_100000184098_200025704644 [1,1,0,0,0,0|2,0,0]=4 4536 B10R1.113 [13CH3]C(=O)c1cccc(c1)O 1458a_100000183914_200025704644 [1,1,0,0,0,0|1,0,0]=3 4537 B10R1.176 C=Cc1ccc(c(c1)C)Br 271570a_100011290941_100009813585 [1,1,0,0,0,0|1,0,1]=4 4538 B10R1.176 C=Cc1ccc(c(c1)C)C 271570a_100011290941_100011215607 [1,1,0,0,0,0|1,0,1]=4 4539 B10R1.176 C=Cc1ccc(c(c1)C)Cl 271570a_100011290941_100000049509 [1,1,0,0,0,0|1,0,1]=4 4540 B10R1.176 C=Cc1ccc(c(c1)C)F 271570a_100011290941_100011218330 [1,1,0,0,0,0|1,0,1]=4 4541 B10R1.176 C=Cc1ccc(c(c1)C)N 271570a_100011290941_100000211769 [1,1,0,0,0,0|1,0,1]=4 4542 B10R1.176 C=Cc1ccc(c(c1)C)O 271570a_100011290941_100000186361 [1,1,0,0,0,0|1,0,1]=4 4543 B10R1.176 C=Cc1ccc(c(c1)O)Br 271570a_100011290941_100012356990 [1,1,0,0,0,0|1,0,1]=4 4544 B10R1.176 C=Cc1ccc(c(c1)O)C 271570a_100011290941_100000766334 [1,1,0,0,0,0|1,0,1]=4 4545 B10R1.176 C=Cc1ccc(c(c1)O)Cl 271570a_100011290941_100011356854 [1,1,0,0,0,0|1,0,1]=4 4546 B10R1.176 C=Cc1ccc(c(c1)O)F 271570a_100011290941_100000686035 [1,1,0,0,0,0|1,0,1]=4 4547 B10R1.176 C=Cc1ccc(c(c1)O)N 271570a_100011290941_100000739049 [1,1,0,0,0,0|1,0,1]=4 4548 B10R1.176 C=Cc1ccc(c(c1)O)O 271570a_100011290941_100009813601 [1,1,0,0,0,0|1,0,1]=4 4549 B10R1.176 CCc1ccc(c(c1)Br)O 271570a_203496583355_200009997437 [1,1,0,0,0,0|2,0,0]=4 4550 B10R1.176 CCc1ccc(c(c1)F)O 271570a_203496583355_200010339503 [1,1,0,0,0,0|2,0,0]=4 4551 B10R1.176 CCc1ccc(c(c1)O)F 271570a_203496583355_200010244628 [1,1,0,0,0,0|1,0,0]=3 4552 B10R1.176 CCc1ccc(c(c1)O)N 271570a_203496583355_100012339725 [1,1,0,0,0,0|1,0,0]=3 4553 B10R1.176 CCc1ccc(c(c1)O)O 271570a_203496583355_100012339963 [1,1,0,0,0,0|1,0,0]=3 4554 B10R1.176 CNc1cc(c(cn1)O)C 271570a_203496583355_100012352278 [1,1,0,0,0,0|2,0,0]=4 4555 B10R1.176 CNc1ccc(c(c1)Br)Br 2230a_100011306057_200000210301 [1,1,0,0,0,0|2,0,0]=4 4556 B10R1.176 CNc1ccc(c(c1)Br)Br 34a_100011306057_200000210301 [1,1,0,0,0,0|2,0,0]=4 4557 B10R1.176 CNc1ccc(c(c1)Br)Br 7a_100011306057_200000210301 [1,1,0,0,0,0|2,0,0]=4 4558 B10R1.176 CNc1ccc(c(c1)Br)C 2230a_100000736455_200000210301 [1,1,0,0,0,0|2,0,0]=4 4559 B10R1.176 CNc1ccc(c(c1)Br)C 34a_100000736455_200000210301 [1,1,0,0,0,0|2,0,0]=4 4560 B10R1.176 CNc1ccc(c(c1)Br)C 7a_100000736455_200000210301 [1,1,0,0,0,0|2,0,0]=4 4561 B10R1.176 CNc1ccc(c(c1)Br)Cl 2230a_100000686031_200000210301 [1,1,0,0,0,0|2,0,0]=4 4562 B10R1.176 CNc1ccc(c(c1)Br)Cl 34a_100000686031_200000210301 [1,1,0,0,0,0|2,0,0]=4 4563 B10R1.176 CNc1ccc(c(c1)Br)F 2230a_100000760356_200000210301 [1,1,0,0,0,0|2,0,0]=4 4564 B10R1.176 CNc1ccc(c(c1)Br)F 34a_100000760356_200000210301 [1,1,0,0,0,0|2,0,0]=4 4565 B10R1.176 CNc1ccc(c(c1)Br)F 7a_100000760356_200000210301 [1,1,0,0,0,0|2,0,0]=4 4566 B10R1.176 CNc1ccc(c(c1)Br)I 34a_100000750458_200000210301 [1,1,0,0,0,0|2,0,0]=4 4567 B10R1.176 CNc1ccc(c(c1)Br)O 34a_100011534360_200000210301 [1,1,0,0,0,0|2,0,0]=4 4568 B10R1.176 CNc1ccc(c(c1)C)Br 2230a_100000210723_200000210301 [1,1,0,0,0,0|1,0,0]=3 4569 B10R1.176 CNc1ccc(c(c1)C)Br 34a_100000210723_200000210301 [1,1,0,0,0,0|1,0,0]=3 4570 B10R1.176 CNc1ccc(c(c1)C)Br 7a_100000210723_200000210301 [1,1,0,0,0,0|1,0,0]=3 4571 B10R1.176 CNc1ccc(c(c1)C)C 2230a_100000724040_200000210301 [1,1,0,0,0,0|1,0,0]=3 4572 B10R1.176 CNc1ccc(c(c1)C)C 34a_100000724040_200000210301 [1,1,0,0,0,0|1,0,0]=3 4573 B10R1.176 CNc1ccc(c(c1)C)C 7a_100000724040_200000210301 [1,1,0,0,0,0|1,0,0]=3 4574 B10R1.176 CNc1ccc(c(c1)C)Cl 2230a_100000187808_200000210301 [1,1,0,0,0,0|1,0,0]=3 4575 B10R1.176 CNc1ccc(c(c1)C)Cl 34a_100000187808_200000210301 [1,1,0,0,0,0|1,0,0]=3 4576 B10R1.176 CNc1ccc(c(c1)C)Cl 7a_100000187808_200000210301 [1,1,0,0,0,0|1,0,0]=3 4577 B10R1.176 CNc1ccc(c(c1)C)F 2230a_100000750164_200000210301 [1,1,0,0,0,0|1,0,0]=3 4578 B10R1.176 CNc1ccc(c(c1)C)F 34a_100000750164_200000210301 [1,1,0,0,0,0|1,0,0]=3 4579 B10R1.176 CNc1ccc(c(c1)C)F 7a_100000750164_200000210301 [1,1,0,0,0,0|1,0,0]=3 4580 B10R1.176 CNc1ccc(c(c1)C)I 34a_100000198070_200000210301 [1,1,0,0,0,0|1,0,0]=3 4581 B10R1.176 CNc1ccc(c(c1)C)I 7a_100000198070_200000210301 [1,1,0,0,0,0|1,0,0]=3 4582 B10R1.176 CNc1ccc(c(c1)C)O 271570a_203496583355_100102888905 [1,1,0,0,0,0|1,0,0]=3 4583 B10R1.176 CNc1ccc(c(c1)C)O 34a_100011218179_200000210301 [1,1,0,0,0,0|1,0,0]=3 4584 B10R1.176 CNc1ccc(c(c1)C)O 7a_100011218179_200000210301 [1,1,0,0,0,0|1,0,0]=3 4585 B10R1.176 CNc1ccc(c(c1)Cl)Br 2230a_100000687081_200000210301 [1,1,0,0,0,0|2,0,0]=4 4586 B10R1.176 CNc1ccc(c(c1)Cl)Br 34a_100000687081_200000210301 [1,1,0,0,0,0|2,0,0]=4 4587 B10R1.176 CNc1ccc(c(c1)Cl)Br 7a_100000687081_200000210301 [1,1,0,0,0,0|2,0,0]=4 4588 B10R1.176 CNc1ccc(c(c1)Cl)C 2230a_100000188892_200000210301 [1,1,0,0,0,0|2,0,0]=4 4589 B10R1.176 CNc1ccc(c(c1)Cl)C 34a_100000188892_200000210301 [1,1,0,0,0,0|2,0,0]=4 4590 B10R1.176 CNc1ccc(c(c1)Cl)C 7a_100000188892_200000210301 [1,1,0,0,0,0|2,0,0]=4 4591 B10R1.176 CNc1ccc(c(c1)Cl)Cl 2230a_100000184108_200000210301 [1,1,0,0,0,0|2,0,0]=4 4592 B10R1.176 CNc1ccc(c(c1)Cl)Cl 34a_100000184108_200000210301 [1,1,0,0,0,0|2,0,0]=4 4593 B10R1.176 CNc1ccc(c(c1)Cl)F 2230a_100000211060_200000210301 [1,1,0,0,0,0|2,0,0]=4 4594 B10R1.176 CNc1ccc(c(c1)Cl)F 34a_100000211060_200000210301 [1,1,0,0,0,0|2,0,0]=4 4595 B10R1.176 CNc1ccc(c(c1)Cl)F 7a_100000211060_200000210301 [1,1,0,0,0,0|2,0,0]=4 4596 B10R1.176 CNc1ccc(c(c1)Cl)I 34a_100000761885_200000210301 [1,1,0,0,0,0|2,0,0]=4 4597 B10R1.176 CNc1ccc(c(c1)Cl)O 34a_100000744943_200000210301 [1,1,0,0,0,0|2,0,0]=4 4598 B10R1.176 CNc1ccc(c(c1)F)Br 2230a_100000759894_200000210301 [1,1,0,0,0,0|2,0,0]=4 4599 B10R1.176 CNc1ccc(c(c1)F)Br 34a_100000759894_200000210301 [1,1,0,0,0,0|2,0,0]=4 4600 B10R1.176 CNc1ccc(c(c1)F)Br 7a_100000759894_200000210301 [1,1,0,0,0,0|2,0,0]=4 4601 B10R1.176 CNc1ccc(c(c1)F)C 2230a_100000210958_200000210301 [1,1,0,0,0,0|2,0,0]=4 4602 B10R1.176 CNc1ccc(c(c1)F)C 34a_100000210958_200000210301 [1,1,0,0,0,0|2,0,0]=4 4603 B10R1.176 CNc1ccc(c(c1)F)C 7a_100000210958_200000210301 [1,1,0,0,0,0|2,0,0]=4 4604 B10R1.176 CNc1ccc(c(c1)F)Cl 2230a_100000739366_200000210301 [1,1,0,0,0,0|2,0,0]=4 4605 B10R1.176 CNc1ccc(c(c1)F)Cl 34a_100000739366_200000210301 [1,1,0,0,0,0|2,0,0]=4 4606 B10R1.176 CNc1ccc(c(c1)F)Cl 7a_100000739366_200000210301 [1,1,0,0,0,0|2,0,0]=4 4607 B10R1.176 CNc1ccc(c(c1)F)F 2230a_100000210724_200000210301 [1,1,0,0,0,0|2,0,0]=4 4608 B10R1.176 CNc1ccc(c(c1)F)F 34a_100000210724_200000210301 [1,1,0,0,0,0|2,0,0]=4 4609 B10R1.176 CNc1ccc(c(c1)F)F 7a_100000210724_200000210301 [1,1,0,0,0,0|2,0,0]=4 4610 B10R1.176 CNc1ccc(c(c1)F)I 34a_100011356925_200000210301 [1,1,0,0,0,0|2,0,0]=4 4611 B10R1.176 CNc1ccc(c(c1)F)I 7a_100011356925_200000210301 [1,1,0,0,0,0|2,0,0]=4 4612 B10R1.176 CNc1ccc(c(c1)F)O 271570a_203496583355_100012285320 [1,1,0,0,0,0|2,0,0]=4 4613 B10R1.176 CNc1ccc(c(c1)F)O 34a_100011220035_200000210301 [1,1,0,0,0,0|2,0,0]=4 4614 B10R1.176 CNc1ccc(c(c1)F)O 7a_100011220035_200000210301 [1,1,0,0,0,0|2,0,0]=4 4615 B10R1.176 CNc1ccc(c(c1)I)Br 34a_100000750459_200000210301 [1,1,0,0,0,0|2,0,0]=4 4616 B10R1.176 CNc1ccc(c(c1)I)C 34a_100000184131_200000210301 [1,1,0,0,0,0|2,0,0]=4 4617 B10R1.176 CNc1ccc(c(c1)I)C 7a_100000184131_200000210301 [1,1,0,0,0,0|2,0,0]=4 4618 B10R1.176 CNc1ccc(c(c1)I)Cl 34a_100012360549_200000210301 [1,1,0,0,0,0|2,0,0]=4 4619 B10R1.176 CNc1ccc(c(c1)I)F 34a_114828291077_200000210301 [1,1,0,0,0,0|2,0,0]=4 4620 B10R1.176 CNc1ccc(c(c1)I)F 7a_114828291077_200000210301 [1,1,0,0,0,0|2,0,0]=4 4621 B10R1.176 CNc1ccc(c(c1)O)C 271570a_203496583355_100000707694 [1,1,0,0,0,0|1,0,0]=3 4622 B10R1.176 CNc1ccc(c(c1)O)C 34a_100000759471_200000210301 [1,1,0,0,0,0|1,0,0]=3 4623 B10R1.176 CNc1ccc(c(c1)O)C 7a_100000759471_200000210301 [1,1,0,0,0,0|1,0,0]=3 4624 B10R1.176 CNc1ccc(c(c1)O)Cl 34a_100011934209_200000210301 [1,1,0,0,0,0|1,0,0]=3 4625 B10R1.176 CNc1ccc(c(c1)O)F 34a_100012017398_200000210301 [1,1,0,0,0,0|1,0,0]=3 4626 B10R1.176 CNc1ccc(c(c1)O)F 7a_100012017398_200000210301 [1,1,0,0,0,0|1,0,0]=3 4627 B10R1.176 CNc1ccc(c(c1)O)O 34a_100102946323_200000210301 [1,1,0,0,0,0|1,0,0]=3 4628 B10R1.176 COc1cc(c(cn1)Br)C 34a_100000766222_200000210301 [1,1,0,0,0,0|1,0,0]=3 4629 B10R1.176 COc1cc(c(cn1)Br)Cl 34a_100010369989_200000210301 [1,1,0,0,0,0|2,0,0]=4 4630 B10R1.176 COc1cc(c(cn1)C)Br 34a_100009831917_200000210301 [1,1,0,0,0,0|2,0,0]=4 4631 B10R1.176 COc1cc(c(cn1)C)O 271570a_203496583355_100010068546 [1,1,0,0,0,0|1,0,0]=3 4632 B10R1.176 COc1cc(c(cn1)Cl)C 34a_200000085746_200000210301 [1,1,0,0,0,0|1,0,0]=3 4633 B10R1.176 COc1cc(c(cn1)Cl)Cl 34a_200000099200_200000210301 [1,1,0,0,0,0|2,0,0]=4 4634 B10R1.176 COc1cc(c(cn1)Cl)O 271570a_203496583355_100010068019 [1,1,0,0,0,0|1,0,0]=3 4635 B10R1.176 COc1cc(c(cn1)F)O 271570a_203496583355_100010160775 [1,1,0,0,0,0|1,0,0]=3 4636 B10R1.176 COc1cc(c(cn1)O)C 271570a_203496583355_100011934368 [1,1,0,0,0,0|1,0,0]=3 4637 B10R1.176 COc1cc(c(cn1)O)F 271570a_203496583355_100010136277 [1,1,0,0,0,0|2,0,0]=4 4638 B10R1.176 COc1cc(c(cn1)O)N 271570a_203496583355_100010254562 [1,1,0,0,0,0|2,0,0]=4 4639 B10R1.176 COc1cc(c(cn1)O)O 271570a_203496583355_100010738159 [1,1,0,0,0,0|1,0,0]=3 4640 B10R1.176 COc1ccc(c(c1)Br)C 34a_100011380479_200000210301 [1,1,0,0,0,0|1,0,0]=3 4641 B10R1.176 COc1ccc(c(c1)Br)C 7a_100011380479_200000210301 [1,1,0,0,0,0|1,0,0]=3 4642 B10R1.176 COc1ccc(c(c1)Br)Cl 34a_100011933957_200000210301 [1,1,0,0,0,0|1,0,0]=3 4643 B10R1.176 COc1ccc(c(c1)Br)Cl 7a_100011933957_200000210301 [1,1,0,0,0,0|1,0,0]=3 4644 B10R1.176 COc1ccc(c(c1)Br)F 34a_100000693481_200000210301 [1,1,0,0,0,0|1,0,0]=3 4645 B10R1.176 COc1ccc(c(c1)Br)F 7a_100000693481_200000210301 [1,1,0,0,0,0|1,0,0]=3 4646 B10R1.176 COc1ccc(c(c1)Br)I 34a_100000701344_200000210301 [1,1,0,0,0,0|1,0,0]=3 4647 B10R1.176 COc1ccc(c(c1)Br)I 7a_100000701344_200000210301 [1,1,0,0,0,0|1,0,0]=3 4648 B10R1.176 COc1ccc(c(c1)Br)N 34a_100012001276_200000210301 [1,1,0,0,0,0|1,0,0]=3 4649 B10R1.176 COc1ccc(c(c1)Br)N 7a_100012001276_200000210301 [1,1,0,0,0,0|1,0,0]=3 4650 B10R1.176 COc1ccc(c(c1)Br)O 271570a_203496583355_100012349170 [1,1,0,0,0,0|1,0,0]=3 4651 B10R1.176 COc1ccc(c(c1)C)Br 34a_100000690111_200000210301 [1,1,0,0,0,0|0,0,0]=2 4652 B10R1.176 COc1ccc(c(c1)C)Br 7a_100000690111_200000210301 [1,1,0,0,0,0|0,0,0]=2 4653 B10R1.176 COc1ccc(c(c1)C)C 34a_100000210932_200000210301 [1,1,0,0,0,0|0,0,0]=2 4654 B10R1.176 COc1ccc(c(c1)C)C 7a_100000210932_200000210301 [1,1,0,0,0,0|0,0,0]=2 4655 B10R1.176 COc1ccc(c(c1)C)Cl 34a_100000211092_200000210301 [1,1,0,0,0,0|0,0,0]=2 4656 B10R1.176 COc1ccc(c(c1)C)Cl 7a_100000211092_200000210301 [1,1,0,0,0,0|0,0,0]=2 4657 B10R1.176 COc1ccc(c(c1)C)F 34a_100000751312_200000210301 [1,1,0,0,0,0|0,0,0]=2 4658 B10R1.176 COc1ccc(c(c1)C)F 7a_100000751312_200000210301 [1,1,0,0,0,0|0,0,0]=2 4659 B10R1.176 COc1ccc(c(c1)C)I 34a_100000729255_200000210301 [1,1,0,0,0,0|0,0,0]=2 4660 B10R1.176 COc1ccc(c(c1)C)I 7a_100000729255_200000210301 [1,1,0,0,0,0|0,0,0]=2 4661 B10R1.176 COc1ccc(c(c1)C)N 34a_100000756630_200000210301 [1,1,0,0,0,0|0,0,0]=2 4662 B10R1.176 COc1ccc(c(c1)C)N 7a_100000756630_200000210301 [1,1,0,0,0,0|0,0,0]=2 4663 B10R1.176 COc1ccc(c(c1)C)O 271570a_203496583355_100000759875 [1,1,0,0,0,0|0,0,0]=2 4664 B10R1.176 COc1ccc(c(c1)Cl)Br 34a_100011215161_200000210301 [1,1,0,0,0,0|1,0,0]=3 4665 B10R1.176 COc1ccc(c(c1)Cl)Br 7a_100011215161_200000210301 [1,1,0,0,0,0|1,0,0]=3 4666 B10R1.176 COc1ccc(c(c1)Cl)C 34a_100011265682_200000210301 [1,1,0,0,0,0|1,0,0]=3 4667 B10R1.176 COc1ccc(c(c1)Cl)C 7a_100011265682_200000210301 [1,1,0,0,0,0|1,0,0]=3 4668 B10R1.176 COc1ccc(c(c1)Cl)Cl 34a_100000211054_200000210301 [1,1,0,0,0,0|1,0,0]=3 4669 B10R1.176 COc1ccc(c(c1)Cl)Cl 7a_100000211054_200000210301 [1,1,0,0,0,0|1,0,0]=3 4670 B10R1.176 COc1ccc(c(c1)Cl)F 34a_100000211030_200000210301 [1,1,0,0,0,0|1,0,0]=3 4671 B10R1.176 COc1ccc(c(c1)Cl)F 7a_100000211030_200000210301 [1,1,0,0,0,0|1,0,0]=3 4672 B10R1.176 COc1ccc(c(c1)Cl)I 34a_100000047559_200000210301 [1,1,0,0,0,0|1,0,0]=3 4673 B10R1.176 COc1ccc(c(c1)Cl)I 7a_100000047559_200000210301 [1,1,0,0,0,0|1,0,0]=3 4674 B10R1.176 COc1ccc(c(c1)Cl)N 34a_100011215599_200000210301 [1,1,0,0,0,0|1,0,0]=3 4675 B10R1.176 COc1ccc(c(c1)Cl)N 7a_100011215599_200000210301 [1,1,0,0,0,0|1,0,0]=3 4676 B10R1.176 COc1ccc(c(c1)F)Br 34a_100000755031_200000210301 [1,1,0,0,0,0|1,0,0]=3 4677 B10R1.176 COc1ccc(c(c1)F)Br 7a_100000755031_200000210301 [1,1,0,0,0,0|1,0,0]=3 4678 B10R1.176 COc1ccc(c(c1)F)C 34a_100000722560_200000210301 [1,1,0,0,0,0|1,0,0]=3 4679 B10R1.176 COc1ccc(c(c1)F)C 7a_100000722560_200000210301 [1,1,0,0,0,0|1,0,0]=3 4680 B10R1.176 COc1ccc(c(c1)F)Cl 34a_100000691581_200000210301 [1,1,0,0,0,0|1,0,0]=3 4681 B10R1.176 COc1ccc(c(c1)F)Cl 7a_100000691581_200000210301 [1,1,0,0,0,0|1,0,0]=3 4682 B10R1.176 COc1ccc(c(c1)F)F 34a_100000181275_200000210301 [1,1,0,0,0,0|1,0,0]=3 4683 B10R1.176 COc1ccc(c(c1)F)F 7a_100000181275_200000210301 [1,1,0,0,0,0|1,0,0]=3 4684 B10R1.176 COc1ccc(c(c1)F)I 34a_100009990212_200000210301 [1,1,0,0,0,0|1,0,0]=3 4685 B10R1.176 COc1ccc(c(c1)F)I 7a_100009990212_200000210301 [1,1,0,0,0,0|1,0,0]=3 4686 B10R1.176 COc1ccc(c(c1)F)N 34a_100000759473_200000210301 [1,1,0,0,0,0|1,0,0]=3 4687 B10R1.176 COc1ccc(c(c1)F)N 7a_100000759473_200000210301 [1,1,0,0,0,0|1,0,0]=3 4688 B10R1.176 COc1ccc(c(c1)F)O 271570a_203496583355_100000753793 [1,1,0,0,0,0|1,0,0]=3 4689 B10R1.176 COc1ccc(c(c1)I)Br 34a_100012339312_200000210301 [1,1,0,0,0,0|1,0,0]=3 4690 B10R1.176 COc1ccc(c(c1)I)Br 7a_100012339312_200000210301 [1,1,0,0,0,0|1,0,0]=3 4691 B10R1.176 COc1ccc(c(c1)I)Cl 34a_100000049588_200000210301 [1,1,0,0,0,0|1,0,0]=3 4692 B10R1.176 COc1ccc(c(c1)I)Cl 7a_100000049588_200000210301 [1,1,0,0,0,0|1,0,0]=3 4693 B10R1.176 COc1ccc(c(c1)I)N 34a_100010084370_200000210301 [1,1,0,0,0,0|1,0,0]=3 4694 B10R1.176 COc1ccc(c(c1)I)N 7a_100010084370_200000210301 [1,1,0,0,0,0|1,0,0]=3 4695 B10R1.176 COc1ccc(c(c1)N)Br 34a_100011999798_200000210301 [1,1,0,0,0,0|1,0,0]=3 4696 B10R1.176 COc1ccc(c(c1)N)Br 7a_100011999798_200000210301 [1,1,0,0,0,0|1,0,0]=3 4697 B10R1.176 COc1ccc(c(c1)N)C 34a_100011216113_200000210301 [1,1,0,0,0,0|1,0,0]=3 4698 B10R1.176 COc1ccc(c(c1)N)C 7a_100011216113_200000210301 [1,1,0,0,0,0|1,0,0]=3 4699 B10R1.176 COc1ccc(c(c1)N)Cl 34a_100011934297_200000210301 [1,1,0,0,0,0|1,0,0]=3 4700 B10R1.176 COc1ccc(c(c1)N)F 34a_100012017239_200000210301 [1,1,0,0,0,0|1,0,0]=3 4701 B10R1.176 COc1ccc(c(c1)N)F 7a_100012017239_200000210301 [1,1,0,0,0,0|1,0,0]=3 4702 B10R1.176 COc1ccc(c(c1)N)N 34a_100025771000_200000210301 [1,1,0,0,0,0|1,0,0]=3 4703 B10R1.176 COc1ccc(c(c1)N)O 271570a_203496583355_100000748021 [1,1,0,0,0,0|1,0,0]=3 4704 B10R1.176 COc1ccc(c(c1)O)Br 271570a_203496583355_100009992028 [1,1,0,0,0,0|0,0,0]=2 4705 B10R1.176 COc1ccc(c(c1)O)C 271570a_203496583355_100012349166 [1,1,0,0,0,0|0,0,0]=2 4706 B10R1.176 COc1ccc(c(c1)O)Cl 271570a_203496583355_100011356938 [1,1,0,0,0,0|0,0,0]=2 4707 B10R1.176 COc1ccc(c(c1)O)F 271570a_203496583355_100000699733 [1,1,0,0,0,0|0,0,0]=2 4708 B10R1.176 COc1ccc(c(c1)O)N 271570a_203496583355_100015195136 [1,1,0,0,0,0|0,0,0]=2 4709 B10R1.176 COc1ccc(c(c1)O)O 271570a_203496583355_100000685887 [1,1,0,0,0,0|0,0,0]=2 4710 B10R1.176 COc1ccc(c(c1)O)O 271570a_203496583355_100000719091 [1,1,0,0,0,0|0,0,0]=2 4711 B10R1.176 COc1ccc(c(n1)C)Br 34a_100000691680_200000210301 [1,1,0,0,0,0|1,0,0]=3 4712 B10R1.176 COc1ccc(c(n1)C)Cl 34a_200009863735_200000210301 [1,1,0,0,0,0|1,0,0]=3 4713 B10R1.176 COc1ccc(c(n1)C)O 271570a_203496583355_100000766551 [1,1,0,0,0,0|1,0,0]=3 4714 B10R1.176 COc1ccc(c(n1)F)Br 34a_100009879308_200000210301 [1,1,0,0,0,0|2,0,0]=4 4715 B10R1.176 COc1ccc(c(n1)F)O 271570a_203496583355_100010067559 [1,1,0,0,0,0|2,0,0]=4 4716 B10R1.176 COc1ccc(c(n1)N)O 271570a_203496583355_100010187629 [1,1,0,0,0,0|2,0,0]=4 4717 B10R1.176 COc1ccc(c(n1)O)N 271570a_203496583355_100000069805 [1,1,0,0,0,0|1,0,0]=3 4718 B10R1.176 COc1cnc(c(c1)Br)C 34a_100009819603_200000210301 [1,1,0,0,0,0|2,0,0]=4 4719 B10R1.176 COc1cnc(c(c1)Br)C 7a_100009819603_200000210301 [1,1,0,0,0,0|2,0,0]=4 4720 B10R1.176 COc1cnc(c(c1)Br)Cl 34a_100012356455_200000210301 [1,1,0,0,0,0|2,0,0]=4 4721 B10R1.176 COc1cnc(c(c1)Br)Cl 7a_100012356455_200000210301 [1,1,0,0,0,0|2,0,0]=4 4722 B10R1.176 COc1cnc(c(c1)Br)F 34a_100009817267_200000210301 [1,1,0,0,0,0|2,0,0]=4 4723 B10R1.176 COc1cnc(c(c1)Br)F 7a_100009817267_200000210301 [1,1,0,0,0,0|2,0,0]=4 4724 B10R1.176 COc1cnc(c(c1)C)Br 34a_100012000486_200000210301 [1,1,0,0,0,0|1,0,0]=3 4725 B10R1.176 COc1cnc(c(c1)C)Br 7a_100012000486_200000210301 [1,1,0,0,0,0|1,0,0]=3 4726 B10R1.176 COc1cnc(c(c1)C)C 34a_100009854398_200000210301 [1,1,0,0,0,0|1,0,0]=3 4727 B10R1.176 COc1cnc(c(c1)C)C 7a_100009854398_200000210301 [1,1,0,0,0,0|1,0,0]=3 4728 B10R1.176 COc1cnc(c(c1)C)Cl 34a_100012002680_200000210301 [1,1,0,0,0,0|1,0,0]=3 4729 B10R1.176 COc1cnc(c(c1)C)Cl 7a_100012002680_200000210301 [1,1,0,0,0,0|1,0,0]=3 4730 B10R1.176 COc1cnc(c(c1)C)F 34a_100000094615_200000210301 [1,1,0,0,0,0|1,0,0]=3 4731 B10R1.176 COc1cnc(c(c1)C)F 7a_100000094615_200000210301 [1,1,0,0,0,0|1,0,0]=3 4732 B10R1.176 COc1cnc(c(c1)C)O 271570a_203496583355_200009851512 [1,1,0,0,0,0|1,0,0]=3 4733 B10R1.176 COc1cnc(c(c1)Cl)Br 34a_100010209684_200000210301 [1,1,0,0,0,0|2,0,0]=4 4734 B10R1.176 COc1cnc(c(c1)Cl)Br 7a_100010209684_200000210301 [1,1,0,0,0,0|2,0,0]=4 4735 B10R1.176 COc1cnc(c(c1)Cl)Cl 34a_100000094354_200000210301 [1,1,0,0,0,0|2,0,0]=4 4736 B10R1.176 COc1cnc(c(c1)Cl)Cl 7a_100000094354_200000210301 [1,1,0,0,0,0|2,0,0]=4 4737 B10R1.176 COc1cnc(c(c1)Cl)F 34a_100000087088_200000210301 [1,1,0,0,0,0|2,0,0]=4 4738 B10R1.176 COc1cnc(c(c1)Cl)F 7a_100000087088_200000210301 [1,1,0,0,0,0|2,0,0]=4 4739 B10R1.176 COc1cnc(c(c1)F)Cl 34a_100000063512_200000210301 [1,1,0,0,0,0|2,0,0]=4 4740 B10R1.176 COc1cnc(c(c1)F)Cl 7a_100000063512_200000210301 [1,1,0,0,0,0|2,0,0]=4 4741 B10R1.176 COc1cnc(c(c1)N)O 271570a_203496583355_100010074831 [1,1,0,0,0,0|2,0,0]=4 4742 B10R1.176 COc1cnc(c(c1)O)F 271570a_203496583355_100010068374 [1,1,0,0,0,0|1,0,0]=3 4743 B10R1.176 COc1cnc(c(n1)C)C 34a_200000700380_200000210301 [1,1,0,0,0,0|2,0,0]=4 4744 B10R1.176 COc1cnc(c(n1)C)O 271570a_203496583355_200010730098 [1,1,0,0,0,0|2,0,0]=4 4745 B10R1.176 COc1ncc(c(n1)C)O 271570a_203496583355_100010152497 [1,1,0,0,0,0|2,0,0]=4 4746 B10R1.176 COc1ncc(c(n1)O)F 271570a_203496583355_100000094299 [1,1,0,0,0,0|2,0,0]=4 4747 B10R1.176 CSc1c[nH]c(=O)c(c1)O 62a_200000210301_100009814561 [1,1,0,0,0,0|1,1,0]=4 4748 B10R1.176 CSc1cc(c(cn1)Br)C 62a_100012356354_200000210301 [1,1,0,0,0,0|1,1,0]=4 4749 B10R1.176 CSc1cc(c(cn1)Br)C 62a_200000210301_100012356354 [1,1,0,0,0,0|1,1,0]=4 4750 B10R1.176 CSc1cc(c(cn1)C)C 62a_100009850809_200000210301 [1,1,0,0,0,0|1,1,0]=4 4751 B10R1.176 CSc1cc(c(cn1)C)C 62a_200000210301_100009850809 [1,1,0,0,0,0|1,1,0]=4 4752 B10R1.176 CSc1cc(c(cn1)C)O 62a_100000704368_200000210301 [1,1,0,0,0,0|1,1,0]=4 4753 B10R1.176 CSc1cc(c(cn1)C)O 62a_200000210301_100000704368 [1,1,0,0,0,0|1,1,0]=4 4754 B10R1.176 CSc1cc(c(cn1)F)C 62a_100009818257_200000210301 [1,1,0,0,0,0|1,1,0]=4 4755 B10R1.176 CSc1cc(c(cn1)F)C 62a_200000210301_100009818257 [1,1,0,0,0,0|1,1,0]=4 4756 B10R1.176 CSc1cc(c(cn1)F)O 62a_100009854642_200000210301 [1,1,0,0,0,0|1,1,0]=4 4757 B10R1.176 CSc1cc(c(cn1)F)O 62a_200000210301_100009854642 [1,1,0,0,0,0|1,1,0]=4 4758 B10R1.176 CSc1cc(c(cn1)N)C 62a_100000067204_200000210301 [1,1,0,0,0,0|1,1,0]=4 4759 B10R1.176 CSc1cc(c(cn1)N)C 62a_200000210301_100000067204 [1,1,0,0,0,0|1,1,0]=4 4760 B10R1.176 CSc1cc(c(cn1)O)C 62a_200000210301_100000692680 [1,1,0,0,0,0|1,1,0]=4 4761 B10R1.176 CSc1ccc(=O)n(c1)C 62a_100011245003_200000210301 [1,1,0,0,0,0|1,1,0]=4 4762 B10R1.176 CSc1ccc(=O)n(c1)C 62a_200000210301_100011245003 [1,1,0,0,0,0|1,1,0]=4 4763 B10R1.176 CSc1ccc(c(c1)Br)Br 62a_100012356285_200000210301 [1,1,0,0,0,0|1,1,0]=4 4764 B10R1.176 CSc1ccc(c(c1)Br)Br 62a_200000210301_100012356285 [1,1,0,0,0,0|1,1,0]=4 4765 B10R1.176 CSc1ccc(c(c1)Br)C 62a_100011847877_200000210301 [1,1,0,0,0,0|1,1,0]=4 4766 B10R1.176 CSc1ccc(c(c1)Br)C 62a_200000210301_100011847877 [1,1,0,0,0,0|1,1,0]=4 4767 B10R1.176 CSc1ccc(c(c1)Br)Cl 62a_100012353702_200000210301 [1,1,0,0,0,0|1,1,0]=4 4768 B10R1.176 CSc1ccc(c(c1)Br)Cl 62a_200000210301_100012353702 [1,1,0,0,0,0|1,1,0]=4 4769 B10R1.176 CSc1ccc(c(c1)Br)F 62a_100012047266_200000210301 [1,1,0,0,0,0|1,1,0]=4 4770 B10R1.176 CSc1ccc(c(c1)Br)F 62a_200000210301_100012047266 [1,1,0,0,0,0|1,1,0]=4 4771 B10R1.176 CSc1ccc(c(c1)Br)N 62a_100000750455_200000210301 [1,1,0,0,0,0|1,1,0]=4 4772 B10R1.176 CSc1ccc(c(c1)Br)N 62a_200000210301_100000750455 [1,1,0,0,0,0|1,1,0]=4 4773 B10R1.176 CSc1ccc(c(c1)Br)O 62a_100012361655_200000210301 [1,1,0,0,0,0|1,1,0]=4 4774 B10R1.176 CSc1ccc(c(c1)Br)O 62a_200000210301_100012361655 [1,1,0,0,0,0|1,1,0]=4 4775 B10R1.176 CSc1ccc(c(c1)C)Br 62a_100009813585_200000210301 [1,1,0,0,0,0|0,1,0]=3 4776 B10R1.176 CSc1ccc(c(c1)C)Br 62a_200000210301_100009813585 [1,1,0,0,0,0|0,1,0]=3 4777 B10R1.176 CSc1ccc(c(c1)C)C 62a_100011215607_200000210301 [1,1,0,0,0,0|0,1,0]=3 4778 B10R1.176 CSc1ccc(c(c1)C)C 62a_200000210301_100011215607 [1,1,0,0,0,0|0,1,0]=3 4779 B10R1.176 CSc1ccc(c(c1)C)Cl 62a_100000049509_200000210301 [1,1,0,0,0,0|0,1,0]=3 4780 B10R1.176 CSc1ccc(c(c1)C)Cl 62a_200000210301_100000049509 [1,1,0,0,0,0|0,1,0]=3 4781 B10R1.176 CSc1ccc(c(c1)C)F 62a_100011218330_200000210301 [1,1,0,0,0,0|0,1,0]=3 4782 B10R1.176 CSc1ccc(c(c1)C)F 62a_200000210301_100011218330 [1,1,0,0,0,0|0,1,0]=3 4783 B10R1.176 CSc1ccc(c(c1)C)N 62a_100000211769_200000210301 [1,1,0,0,0,0|0,1,0]=3 4784 B10R1.176 CSc1ccc(c(c1)C)N 62a_200000210301_100000211769 [1,1,0,0,0,0|0,1,0]=3 4785 B10R1.176 CSc1ccc(c(c1)C)O 62a_200000210301_100000186361 [1,1,0,0,0,0|0,1,0]=3 4786 B10R1.176 CSc1ccc(c(c1)Cl)Br 62a_100012047281_200000210301 [1,1,0,0,0,0|1,1,0]=4 4787 B10R1.176 CSc1ccc(c(c1)Cl)Br 62a_200000210301_100012047281 [1,1,0,0,0,0|1,1,0]=4 4788 B10R1.176 CSc1ccc(c(c1)Cl)C 62a_100011216363_200000210301 [1,1,0,0,0,0|1,1,0]=4 4789 B10R1.176 CSc1ccc(c(c1)Cl)C 62a_200000210301_100011216363 [1,1,0,0,0,0|1,1,0]=4 4790 B10R1.176 CSc1ccc(c(c1)Cl)Cl 62a_100011214914_200000210301 [1,1,0,0,0,0|1,1,0]=4 4791 B10R1.176 CSc1ccc(c(c1)Cl)Cl 62a_200000210301_100011214914 [1,1,0,0,0,0|1,1,0]=4 4792 B10R1.176 CSc1ccc(c(c1)Cl)F 62a_100011215976_200000210301 [1,1,0,0,0,0|1,1,0]=4 4793 B10R1.176 CSc1ccc(c(c1)Cl)F 62a_200000210301_100011215976 [1,1,0,0,0,0|1,1,0]=4 4794 B10R1.176 CSc1ccc(c(c1)Cl)N 62a_100011218065_200000210301 [1,1,0,0,0,0|1,1,0]=4 4795 B10R1.176 CSc1ccc(c(c1)Cl)N 62a_200000210301_100011218065 [1,1,0,0,0,0|1,1,0]=4 4796 B10R1.176 CSc1ccc(c(c1)Cl)O 62a_100012360047_200000210301 [1,1,0,0,0,0|1,1,0]=4 4797 B10R1.176 CSc1ccc(c(c1)Cl)O 62a_200000210301_100012360047 [1,1,0,0,0,0|1,1,0]=4 4798 B10R1.176 CSc1ccc(c(c1)F)Br 62a_100000685389_200000210301 [1,1,0,0,0,0|1,1,0]=4 4799 B10R1.176 CSc1ccc(c(c1)F)Br 62a_200000210301_100000685389 [1,1,0,0,0,0|1,1,0]=4 4800 B10R1.176 CSc1ccc(c(c1)F)C 62a_100000720648_200000210301 [1,1,0,0,0,0|1,1,0]=4 4801 B10R1.176 CSc1ccc(c(c1)F)C 62a_200000210301_100000720648 [1,1,0,0,0,0|1,1,0]=4 4802 B10R1.176 CSc1ccc(c(c1)F)Cl 62a_100011216805_200000210301 [1,1,0,0,0,0|1,1,0]=4 4803 B10R1.176 CSc1ccc(c(c1)F)Cl 62a_200000210301_100011216805 [1,1,0,0,0,0|1,1,0]=4 4804 B10R1.176 CSc1ccc(c(c1)F)F 62a_100000703953_200000210301 [1,1,0,0,0,0|1,1,0]=4 4805 B10R1.176 CSc1ccc(c(c1)F)F 62a_200000210301_100000703953 [1,1,0,0,0,0|1,1,0]=4 4806 B10R1.176 CSc1ccc(c(c1)F)N 62a_100011215594_200000210301 [1,1,0,0,0,0|1,1,0]=4 4807 B10R1.176 CSc1ccc(c(c1)F)N 62a_200000210301_100011215594 [1,1,0,0,0,0|1,1,0]=4 4808 B10R1.176 CSc1ccc(c(c1)F)O 271570a_203496583355_100009816902 [1,1,0,0,0,0|1,1,0]=4 4809 B10R1.176 CSc1ccc(c(c1)F)O 62a_100000185481_200000210301 [1,1,0,0,0,0|1,1,0]=4 4810 B10R1.176 CSc1ccc(c(c1)F)O 62a_200000210301_100000185481 [1,1,0,0,0,0|1,1,0]=4 4811 B10R1.176 CSc1ccc(c(c1)N)Br 62a_100000750456_200000210301 [1,1,0,0,0,0|1,1,0]=4 4812 B10R1.176 CSc1ccc(c(c1)N)Br 62a_200000210301_100000750456 [1,1,0,0,0,0|1,1,0]=4 4813 B10R1.176 CSc1ccc(c(c1)N)C 62a_100000761890_200000210301 [1,1,0,0,0,0|1,1,0]=4 4814 B10R1.176 CSc1ccc(c(c1)N)C 62a_200000210301_100000761890 [1,1,0,0,0,0|1,1,0]=4 4815 B10R1.176 CSc1ccc(c(c1)N)Cl 62a_200000210301_200000761891 [1,1,0,0,0,0|1,1,0]=4 4816 B10R1.176 CSc1ccc(c(c1)N)Cl 62a_200000761891_200000210301 [1,1,0,0,0,0|1,1,0]=4 4817 B10R1.176 CSc1ccc(c(c1)N)F 62a_100000740924_200000210301 [1,1,0,0,0,0|1,1,0]=4 4818 B10R1.176 CSc1ccc(c(c1)N)F 62a_200000210301_100000740924 [1,1,0,0,0,0|1,1,0]=4 4819 B10R1.176 CSc1ccc(c(c1)N)N 62a_100000741789_200000210301 [1,1,0,0,0,0|1,1,0]=4 4820 B10R1.176 CSc1ccc(c(c1)N)N 62a_200000210301_100011534411 [1,1,0,0,0,0|1,1,0]=4 4821 B10R1.176 CSc1ccc(c(c1)N)O 62a_100000752626_200000210301 [1,1,0,0,0,0|1,1,0]=4 4822 B10R1.176 CSc1ccc(c(c1)N)O 62a_200000210301_100000752626 [1,1,0,0,0,0|1,1,0]=4 4823 B10R1.176 CSc1ccc(c(c1)O)Br 62a_100012356990_200000210301 [1,1,0,0,0,0|0,1,0]=3 4824 B10R1.176 CSc1ccc(c(c1)O)Br 62a_200000210301_100012356990 [1,1,0,0,0,0|0,1,0]=3 4825 B10R1.176 CSc1ccc(c(c1)O)C 62a_100000685420_200000210301 [1,1,0,0,0,0|0,1,0]=3 4826 B10R1.176 CSc1ccc(c(c1)O)C 62a_200000210301_100000685420 [1,1,0,0,0,0|0,1,0]=3 4827 B10R1.176 CSc1ccc(c(c1)O)Cl 62a_100011356854_200000210301 [1,1,0,0,0,0|0,1,0]=3 4828 B10R1.176 CSc1ccc(c(c1)O)Cl 62a_200000210301_100011356854 [1,1,0,0,0,0|0,1,0]=3 4829 B10R1.176 CSc1ccc(c(c1)O)F 271570a_203496583355_200010708804 [1,1,0,0,0,0|0,1,0]=3 4830 B10R1.176 CSc1ccc(c(c1)O)F 62a_100000686035_200000210301 [1,1,0,0,0,0|0,1,0]=3 4831 B10R1.176 CSc1ccc(c(c1)O)F 62a_200000210301_100000686035 [1,1,0,0,0,0|0,1,0]=3 4832 B10R1.176 CSc1ccc(c(c1)O)N 62a_100000739049_200000210301 [1,1,0,0,0,0|0,1,0]=3 4833 B10R1.176 CSc1ccc(c(c1)O)N 62a_200000210301_100000739049 [1,1,0,0,0,0|0,1,0]=3 4834 B10R1.176 CSc1ccc(c(c1)O)O 62a_200000210301_100009813601 [1,1,0,0,0,0|0,1,0]=3 4835 B10R1.176 CSc1ccc(c(n1)C)Br 62a_100012360386_200000210301 [1,1,0,0,0,0|1,1,0]=4 4836 B10R1.176 CSc1ccc(c(n1)C)Br 62a_200000210301_100012360386 [1,1,0,0,0,0|1,1,0]=4 4837 B10R1.176 CSc1ccc(c(n1)C)C 62a_100000103781_200000210301 [1,1,0,0,0,0|1,1,0]=4 4838 B10R1.176 CSc1ccc(c(n1)C)C 62a_200000210301_100000103781 [1,1,0,0,0,0|1,1,0]=4 4839 B10R1.176 CSc1ccc(c(n1)C)F 62a_100009814307_200000210301 [1,1,0,0,0,0|1,1,0]=4 4840 B10R1.176 CSc1ccc(c(n1)C)F 62a_200000210301_100009814307 [1,1,0,0,0,0|1,1,0]=4 4841 B10R1.176 CSc1ccc(c(n1)C)N 62a_100000720120_200000210301 [1,1,0,0,0,0|1,1,0]=4 4842 B10R1.176 CSc1ccc(c(n1)C)N 62a_200000210301_100000720120 [1,1,0,0,0,0|1,1,0]=4 4843 B10R1.176 CSc1ccc(c(n1)C)O 62a_100010233687_200000210301 [1,1,0,0,0,0|1,1,0]=4 4844 B10R1.176 CSc1ccc(c(n1)C)O 62a_200000210301_100010233687 [1,1,0,0,0,0|1,1,0]=4 4845 B10R1.176 CSc1ccc(c(n1)O)F 62a_200000210301_100010729010 [1,1,0,0,0,0|1,1,0]=4 4846 B10R1.176 CSc1ccc(c(n1)O)N 62a_100000718904_200000210301 [1,1,0,0,0,0|1,1,0]=4 4847 B10R1.176 CSc1cnc(c(c1)C)Br 62a_100009816107_200000210301 [1,1,0,0,0,0|1,1,0]=4 4848 B10R1.176 CSc1cnc(c(c1)C)Br 62a_200000210301_100009816107 [1,1,0,0,0,0|1,1,0]=4 4849 B10R1.176 CSc1cnc(c(c1)C)C 62a_100000697892_200000210301 [1,1,0,0,0,0|1,1,0]=4 4850 B10R1.176 CSc1cnc(c(c1)C)C 62a_200000210301_100000697892 [1,1,0,0,0,0|1,1,0]=4 4851 B10R1.176 CSc1cnc(c(c1)C)Cl 62a_100009922867_200000210301 [1,1,0,0,0,0|1,1,0]=4 4852 B10R1.176 CSc1cnc(c(c1)C)Cl 62a_200000210301_100009922867 [1,1,0,0,0,0|1,1,0]=4 4853 B10R1.176 CSc1cnc(c(c1)C)F 62a_100000709442_200000210301 [1,1,0,0,0,0|1,1,0]=4 4854 B10R1.176 CSc1cnc(c(c1)C)F 62a_200000210301_100000709442 [1,1,0,0,0,0|1,1,0]=4 4855 B10R1.176 CSc1cnc(c(c1)C)N 62a_100000684428_200000210301 [1,1,0,0,0,0|1,1,0]=4 4856 B10R1.176 CSc1cnc(c(c1)C)N 62a_200000210301_100000684428 [1,1,0,0,0,0|1,1,0]=4 4857 B10R1.176 CSc1cnc(c(c1)C)O 271570a_203496583355_203440288091 [1,1,0,0,0,0|1,1,0]=4 4858 B10R1.176 CSc1cnc(c(c1)C)O 62a_100000685391_200000210301 [1,1,0,0,0,0|1,1,0]=4 4859 B10R1.176 CSc1cnc(c(c1)C)O 62a_200000210301_100000685391 [1,1,0,0,0,0|1,1,0]=4 4860 B10R1.176 CSc1cnc(c(c1)O)C 62a_100009864810_200000210301 [1,1,0,0,0,0|1,1,0]=4 4861 B10R1.176 CSc1cnc(c(c1)O)C 62a_200000210301_100009864810 [1,1,0,0,0,0|1,1,0]=4 4862 B10R1.176 CSc1cnc(c(c1)O)F 62a_100009819871_200000210301 [1,1,0,0,0,0|1,1,0]=4 4863 B10R1.176 CSc1cnc(c(c1)O)F 62a_200000210301_100009819871 [1,1,0,0,0,0|1,1,0]=4 4864 B10R1.176 CSc1cnc(c(c1)O)N 62a_100009819042_200000210301 [1,1,0,0,0,0|1,1,0]=4 4865 B10R1.176 CSc1cnc(c(c1)O)N 62a_200000210301_100009819042 [1,1,0,0,0,0|1,1,0]=4 4866 B10R1.176 Cc1cc(ccc1Br)N[13CH3] 2230a_100000210723_200025704644 [1,1,0,0,0,0|1,0,0]=3 4867 B10R1.176 Cc1cc(ccc1Br)N[13CH3] 34a_100000210723_200025704644 [1,1,0,0,0,0|1,0,0]=3 4868 B10R1.176 Cc1cc(ccc1Br)N[13CH3] 7a_100000210723_200025704644 [1,1,0,0,0,0|1,0,0]=3 4869 B10R1.176 Cc1cc(ccc1Br)O[13CH3] 34a_100000690111_200025704644 [1,1,0,0,0,0|0,0,0]=2 4870 B10R1.176 Cc1cc(ccc1Br)O[13CH3] 7a_100000690111_200025704644 [1,1,0,0,0,0|0,0,0]=2 4871 B10R1.176 Cc1cc(ccc1Br)S[13CH3] 62a_100009813585_200025704644 [1,1,0,0,0,0|0,1,0]=3 4872 B10R1.176 Cc1cc(ccc1Br)S[13CH3] 62a_200025704644_100009813585 [1,1,0,0,0,0|0,1,0]=3 4873 B10R1.176 Cc1cc(ccc1Cl)N[13CH3] 2230a_100000187808_200025704644 [1,1,0,0,0,0|1,0,0]=3 4874 B10R1.176 Cc1cc(ccc1Cl)N[13CH3] 34a_100000187808_200025704644 [1,1,0,0,0,0|1,0,0]=3 4875 B10R1.176 Cc1cc(ccc1Cl)N[13CH3] 7a_100000187808_200025704644 [1,1,0,0,0,0|1,0,0]=3 4876 B10R1.176 Cc1cc(ccc1Cl)O[13CH3] 34a_100000211092_200025704644 [1,1,0,0,0,0|0,0,0]=2 4877 B10R1.176 Cc1cc(ccc1Cl)O[13CH3] 7a_100000211092_200025704644 [1,1,0,0,0,0|0,0,0]=2 4878 B10R1.176 Cc1cc(ccc1Cl)S[13CH3] 62a_100000049509_200025704644 [1,1,0,0,0,0|0,1,0]=3 4879 B10R1.176 Cc1cc(ccc1Cl)S[13CH3] 62a_200025704644_100000049509 [1,1,0,0,0,0|0,1,0]=3 4880 B10R1.176 Cc1cc(ccc1F)N[13CH3] 2230a_100000750164_200025704644 [1,1,0,0,0,0|1,0,0]=3 4881 B10R1.176 Cc1cc(ccc1F)N[13CH3] 34a_100000750164_200025704644 [1,1,0,0,0,0|1,0,0]=3 4882 B10R1.176 Cc1cc(ccc1F)N[13CH3] 7a_100000750164_200025704644 [1,1,0,0,0,0|1,0,0]=3 4883 B10R1.176 Cc1cc(ccc1F)O[13CH3] 34a_100000751312_200025704644 [1,1,0,0,0,0|0,0,0]=2 4884 B10R1.176 Cc1cc(ccc1F)O[13CH3] 7a_100000751312_200025704644 [1,1,0,0,0,0|0,0,0]=2 4885 B10R1.176 Cc1cc(ccc1F)S[13CH3] 62a_100011218330_200025704644 [1,1,0,0,0,0|0,1,0]=3 4886 B10R1.176 Cc1cc(ccc1F)S[13CH3] 62a_200025704644_100011218330 [1,1,0,0,0,0|0,1,0]=3 4887 B10R1.176 Cc1cc(ccc1I)N[13CH3] 34a_100000198070_200025704644 [1,1,0,0,0,0|1,0,0]=3 4888 B10R1.176 Cc1cc(ccc1I)N[13CH3] 7a_100000198070_200025704644 [1,1,0,0,0,0|1,0,0]=3 4889 B10R1.176 Cc1cc(ccc1I)O[13CH3] 34a_100000729255_200025704644 [1,1,0,0,0,0|0,0,0]=2 4890 B10R1.176 Cc1cc(ccc1I)O[13CH3] 7a_100000729255_200025704644 [1,1,0,0,0,0|0,0,0]=2 4891 B10R1.176 Cc1cc(ccc1N)O[13CH3] 34a_100000756630_200025704644 [1,1,0,0,0,0|0,0,0]=2 4892 B10R1.176 Cc1cc(ccc1N)O[13CH3] 7a_100000756630_200025704644 [1,1,0,0,0,0|0,0,0]=2 4893 B10R1.176 Cc1cc(ccc1N)S[13CH3] 62a_100000211769_200025704644 [1,1,0,0,0,0|0,1,0]=3 4894 B10R1.176 Cc1cc(ccc1N)S[13CH3] 62a_200025704644_100000211769 [1,1,0,0,0,0|0,1,0]=3 4895 B10R1.176 Cc1cc(ccc1O)C#N 271570a_203496583355_100000212329 [1,1,0,0,0,0|2,0,0]=4 4896 B10R1.176 Cc1cc(ccc1O)C=O 271570a_203496583355_100000765772 [1,1,0,0,0,0|2,0,0]=4 4897 B10R1.176 Cc1cc(ccc1O)CN 271570a_203496583355_100015205234 [1,1,0,0,0,0|2,0,0]=4 4898 B10R1.176 Cc1cc(ccc1O)CO 271570a_203496583355_100000718852 [1,1,0,0,0,0|2,0,0]=4 4899 B10R1.176 Cc1cc(ccc1O)NN 271570a_203496583355_100000745493 [1,1,0,0,0,0|2,0,0]=4 4900 B10R1.176 Cc1cc(ccc1O)N[13CH3] 34a_100011218179_200025704644 [1,1,0,0,0,0|1,0,0]=3 4901 B10R1.176 Cc1cc(ccc1O)N[13CH3] 7a_100011218179_200025704644 [1,1,0,0,0,0|1,0,0]=3 4902 B10R1.176 Cc1cc(ccc1O)S[13CH3] 62a_200025704644_100000186361 [1,1,0,0,0,0|0,1,0]=3 4903 B10R1.176 Cc1cc(cnc1Br)O[13CH3] 34a_100012000486_200025704644 [1,1,0,0,0,0|1,0,0]=3 4904 B10R1.176 Cc1cc(cnc1Br)O[13CH3] 7a_100012000486_200025704644 [1,1,0,0,0,0|1,0,0]=3 4905 B10R1.176 Cc1cc(cnc1Br)S[13CH3] 62a_100009816107_200025704644 [1,1,0,0,0,0|1,1,0]=4 4906 B10R1.176 Cc1cc(cnc1Br)S[13CH3] 62a_200025704644_100009816107 [1,1,0,0,0,0|1,1,0]=4 4907 B10R1.176 Cc1cc(cnc1C)O[13CH3] 34a_100009854398_200025704644 [1,1,0,0,0,0|1,0,0]=3 4908 B10R1.176 Cc1cc(cnc1C)O[13CH3] 7a_100009854398_200025704644 [1,1,0,0,0,0|1,0,0]=3 4909 B10R1.176 Cc1cc(cnc1C)S[13CH3] 62a_100000697892_200025704644 [1,1,0,0,0,0|1,1,0]=4 4910 B10R1.176 Cc1cc(cnc1C)S[13CH3] 62a_200025704644_100000697892 [1,1,0,0,0,0|1,1,0]=4 4911 B10R1.176 Cc1cc(cnc1Cl)O[13CH3] 34a_100012002680_200025704644 [1,1,0,0,0,0|1,0,0]=3 4912 B10R1.176 Cc1cc(cnc1Cl)O[13CH3] 7a_100012002680_200025704644 [1,1,0,0,0,0|1,0,0]=3 4913 B10R1.176 Cc1cc(cnc1Cl)S[13CH3] 62a_100009922867_200025704644 [1,1,0,0,0,0|1,1,0]=4 4914 B10R1.176 Cc1cc(cnc1Cl)S[13CH3] 62a_200025704644_100009922867 [1,1,0,0,0,0|1,1,0]=4 4915 B10R1.176 Cc1cc(cnc1F)O[13CH3] 34a_100000094615_200025704644 [1,1,0,0,0,0|1,0,0]=3 4916 B10R1.176 Cc1cc(cnc1F)O[13CH3] 7a_100000094615_200025704644 [1,1,0,0,0,0|1,0,0]=3 4917 B10R1.176 Cc1cc(cnc1F)S[13CH3] 62a_100000709442_200025704644 [1,1,0,0,0,0|1,1,0]=4 4918 B10R1.176 Cc1cc(cnc1F)S[13CH3] 62a_200025704644_100000709442 [1,1,0,0,0,0|1,1,0]=4 4919 B10R1.176 Cc1cc(cnc1N)S[13CH3] 62a_100000684428_200025704644 [1,1,0,0,0,0|1,1,0]=4 4920 B10R1.176 Cc1cc(cnc1N)S[13CH3] 62a_200025704644_100000684428 [1,1,0,0,0,0|1,1,0]=4 4921 B10R1.176 Cc1cc(cnc1O)S[13CH3] 62a_100000685391_200025704644 [1,1,0,0,0,0|1,1,0]=4 4922 B10R1.176 Cc1cc(cnc1O)S[13CH3] 62a_200025704644_100000685391 [1,1,0,0,0,0|1,1,0]=4 4923 B10R1.176 Cc1cc(ncc1Br)O[13CH3] 34a_100000766222_200025704644 [1,1,0,0,0,0|1,0,0]=3 4924 B10R1.176 Cc1cc(ncc1Br)S[13CH3] 62a_100012356354_200025704644 [1,1,0,0,0,0|1,1,0]=4 4925 B10R1.176 Cc1cc(ncc1Br)S[13CH3] 62a_200025704644_100012356354 [1,1,0,0,0,0|1,1,0]=4 4926 B10R1.176 Cc1cc(ncc1Cl)O[13CH3] 34a_200000085746_200025704644 [1,1,0,0,0,0|1,0,0]=3 4927 B10R1.176 Cc1cc(ncc1F)S[13CH3] 62a_100009818257_200025704644 [1,1,0,0,0,0|1,1,0]=4 4928 B10R1.176 Cc1cc(ncc1F)S[13CH3] 62a_200025704644_100009818257 [1,1,0,0,0,0|1,1,0]=4 4929 B10R1.176 Cc1cc(ncc1N)S[13CH3] 62a_100000067204_200025704644 [1,1,0,0,0,0|1,1,0]=4 4930 B10R1.176 Cc1cc(ncc1N)S[13CH3] 62a_200025704644_100000067204 [1,1,0,0,0,0|1,1,0]=4 4931 B10R1.176 Cc1cc(ncc1O)S[13CH3] 62a_200025704644_100000692680 [1,1,0,0,0,0|1,1,0]=4 4932 B10R1.176 Cc1ccc(cc1Br)N[13CH3] 2230a_100000736455_200025704644 [1,1,0,0,0,0|2,0,0]=4 4933 B10R1.176 Cc1ccc(cc1Br)N[13CH3] 34a_100000736455_200025704644 [1,1,0,0,0,0|2,0,0]=4 4934 B10R1.176 Cc1ccc(cc1Br)N[13CH3] 7a_100000736455_200025704644 [1,1,0,0,0,0|2,0,0]=4 4935 B10R1.176 Cc1ccc(cc1Br)O[13CH3] 34a_100011380479_200025704644 [1,1,0,0,0,0|1,0,0]=3 4936 B10R1.176 Cc1ccc(cc1Br)O[13CH3] 7a_100011380479_200025704644 [1,1,0,0,0,0|1,0,0]=3 4937 B10R1.176 Cc1ccc(cc1Br)S[13CH3] 62a_100011847877_200025704644 [1,1,0,0,0,0|1,1,0]=4 4938 B10R1.176 Cc1ccc(cc1Br)S[13CH3] 62a_200025704644_100011847877 [1,1,0,0,0,0|1,1,0]=4 4939 B10R1.176 Cc1ccc(cc1C)N[13CH3] 2230a_100000724040_200025704644 [1,1,0,0,0,0|1,0,0]=3 4940 B10R1.176 Cc1ccc(cc1C)N[13CH3] 34a_100000724040_200025704644 [1,1,0,0,0,0|1,0,0]=3 4941 B10R1.176 Cc1ccc(cc1C)N[13CH3] 7a_100000724040_200025704644 [1,1,0,0,0,0|1,0,0]=3 4942 B10R1.176 Cc1ccc(cc1C)O[13CH3] 34a_100000210932_200025704644 [1,1,0,0,0,0|0,0,0]=2 4943 B10R1.176 Cc1ccc(cc1C)O[13CH3] 7a_100000210932_200025704644 [1,1,0,0,0,0|0,0,0]=2 4944 B10R1.176 Cc1ccc(cc1C)S[13CH3] 62a_100011215607_200025704644 [1,1,0,0,0,0|0,1,0]=3 4945 B10R1.176 Cc1ccc(cc1C)S[13CH3] 62a_200025704644_100011215607 [1,1,0,0,0,0|0,1,0]=3 4946 B10R1.176 Cc1ccc(cc1Cl)N[13CH3] 2230a_100000188892_200025704644 [1,1,0,0,0,0|2,0,0]=4 4947 B10R1.176 Cc1ccc(cc1Cl)N[13CH3] 34a_100000188892_200025704644 [1,1,0,0,0,0|2,0,0]=4 4948 B10R1.176 Cc1ccc(cc1Cl)N[13CH3] 7a_100000188892_200025704644 [1,1,0,0,0,0|2,0,0]=4 4949 B10R1.176 Cc1ccc(cc1Cl)O[13CH3] 34a_100011265682_200025704644 [1,1,0,0,0,0|1,0,0]=3 4950 B10R1.176 Cc1ccc(cc1Cl)O[13CH3] 7a_100011265682_200025704644 [1,1,0,0,0,0|1,0,0]=3 4951 B10R1.176 Cc1ccc(cc1Cl)S[13CH3] 62a_100011216363_200025704644 [1,1,0,0,0,0|1,1,0]=4 4952 B10R1.176 Cc1ccc(cc1Cl)S[13CH3] 62a_200025704644_100011216363 [1,1,0,0,0,0|1,1,0]=4 4953 B10R1.176 Cc1ccc(cc1F)N[13CH3] 2230a_100000210958_200025704644 [1,1,0,0,0,0|2,0,0]=4 4954 B10R1.176 Cc1ccc(cc1F)N[13CH3] 34a_100000210958_200025704644 [1,1,0,0,0,0|2,0,0]=4 4955 B10R1.176 Cc1ccc(cc1F)N[13CH3] 7a_100000210958_200025704644 [1,1,0,0,0,0|2,0,0]=4 4956 B10R1.176 Cc1ccc(cc1F)O[13CH3] 34a_100000722560_200025704644 [1,1,0,0,0,0|1,0,0]=3 4957 B10R1.176 Cc1ccc(cc1F)O[13CH3] 7a_100000722560_200025704644 [1,1,0,0,0,0|1,0,0]=3 4958 B10R1.176 Cc1ccc(cc1F)S[13CH3] 62a_100000720648_200025704644 [1,1,0,0,0,0|1,1,0]=4 4959 B10R1.176 Cc1ccc(cc1F)S[13CH3] 62a_200025704644_100000720648 [1,1,0,0,0,0|1,1,0]=4 4960 B10R1.176 Cc1ccc(cc1I)N[13CH3] 34a_100000184131_200025704644 [1,1,0,0,0,0|2,0,0]=4 4961 B10R1.176 Cc1ccc(cc1I)N[13CH3] 7a_100000184131_200025704644 [1,1,0,0,0,0|2,0,0]=4 4962 B10R1.176 Cc1ccc(cc1N)O[13CH3] 34a_100011216113_200025704644 [1,1,0,0,0,0|1,0,0]=3 4963 B10R1.176 Cc1ccc(cc1N)O[13CH3] 7a_100011216113_200025704644 [1,1,0,0,0,0|1,0,0]=3 4964 B10R1.176 Cc1ccc(cc1N)S[13CH3] 62a_100000761890_200025704644 [1,1,0,0,0,0|1,1,0]=4 4965 B10R1.176 Cc1ccc(cc1N)S[13CH3] 62a_200025704644_100000761890 [1,1,0,0,0,0|1,1,0]=4 4966 B10R1.176 Cc1ccc(cc1O)C#N 271570a_203496583355_100000690169 [1,1,0,0,0,0|2,0,0]=4 4967 B10R1.176 Cc1ccc(cc1O)C=O 271570a_203496583355_100000695567 [1,1,0,0,0,0|2,0,0]=4 4968 B10R1.176 Cc1ccc(cc1O)CO 271570a_203496583355_100000050133 [1,1,0,0,0,0|2,0,0]=4 4969 B10R1.176 Cc1ccc(cc1O)NN 271570a_203496583355_100016991967 [1,1,0,0,0,0|2,0,0]=4 4970 B10R1.176 Cc1ccc(cc1O)N[13CH3] 34a_100000759471_200025704644 [1,1,0,0,0,0|1,0,0]=3 4971 B10R1.176 Cc1ccc(cc1O)N[13CH3] 7a_100000759471_200025704644 [1,1,0,0,0,0|1,0,0]=3 4972 B10R1.176 Cc1ccc(cc1O)S[13CH3] 62a_100000685420_200025704644 [1,1,0,0,0,0|0,1,0]=3 4973 B10R1.176 Cc1ccc(cc1O)S[13CH3] 62a_200025704644_100000685420 [1,1,0,0,0,0|0,1,0]=3 4974 B10R1.176 Cc1ccc(nc1C)S[13CH3] 62a_100000103781_200025704644 [1,1,0,0,0,0|1,1,0]=4 4975 B10R1.176 Cc1ccc(nc1C)S[13CH3] 62a_200025704644_100000103781 [1,1,0,0,0,0|1,1,0]=4 4976 B10R1.176 Cc1cnc(cc1Br)O[13CH3] 34a_100009831917_200025704644 [1,1,0,0,0,0|2,0,0]=4 4977 B10R1.176 Cc1cnc(cc1C)S[13CH3] 62a_100009850809_200025704644 [1,1,0,0,0,0|1,1,0]=4 4978 B10R1.176 Cc1cnc(cc1C)S[13CH3] 62a_200025704644_100009850809 [1,1,0,0,0,0|1,1,0]=4 4979 B10R1.176 Cc1cnc(cc1O)S[13CH3] 62a_100000704368_200025704644 [1,1,0,0,0,0|1,1,0]=4 4980 B10R1.176 Cc1cnc(cc1O)S[13CH3] 62a_200025704644_100000704368 [1,1,0,0,0,0|1,1,0]=4 4981 B10R1.176 Cc1nc(ccc1Br)O[13CH3] 34a_100000691680_200025704644 [1,1,0,0,0,0|1,0,0]=3 4982 B10R1.176 Cc1nc(ccc1Br)S[13CH3] 62a_100012360386_200025704644 [1,1,0,0,0,0|1,1,0]=4 4983 B10R1.176 Cc1nc(ccc1Br)S[13CH3] 62a_200025704644_100012360386 [1,1,0,0,0,0|1,1,0]=4 4984 B10R1.176 Cc1nc(ccc1Cl)O[13CH3] 34a_200009863735_200025704644 [1,1,0,0,0,0|1,0,0]=3 4985 B10R1.176 Cc1nc(ccc1F)S[13CH3] 62a_100009814307_200025704644 [1,1,0,0,0,0|1,1,0]=4 4986 B10R1.176 Cc1nc(ccc1F)S[13CH3] 62a_200025704644_100009814307 [1,1,0,0,0,0|1,1,0]=4 4987 B10R1.176 Cc1nc(ccc1N)S[13CH3] 62a_100000720120_200025704644 [1,1,0,0,0,0|1,1,0]=4 4988 B10R1.176 Cc1nc(ccc1N)S[13CH3] 62a_200025704644_100000720120 [1,1,0,0,0,0|1,1,0]=4 4989 B10R1.176 Cc1nc(ccc1O)S[13CH3] 62a_100010233687_200025704644 [1,1,0,0,0,0|1,1,0]=4 4990 B10R1.176 Cc1nc(ccc1O)S[13CH3] 62a_200025704644_100010233687 [1,1,0,0,0,0|1,1,0]=4 4991 B10R1.176 Cc1ncc(cc1Br)O[13CH3] 34a_100009819603_200025704644 [1,1,0,0,0,0|2,0,0]=4 4992 B10R1.176 Cc1ncc(cc1Br)O[13CH3] 7a_100009819603_200025704644 [1,1,0,0,0,0|2,0,0]=4 4993 B10R1.176 Cc1ncc(cc1O)S[13CH3] 62a_100009864810_200025704644 [1,1,0,0,0,0|1,1,0]=4 4994 B10R1.176 Cc1ncc(cc1O)S[13CH3] 62a_200025704644_100009864810 [1,1,0,0,0,0|1,1,0]=4 4995 B10R1.176 Cc1ncc(nc1C)O[13CH3] 34a_200000700380_200025704644 [1,1,0,0,0,0|2,0,0]=4 4996 B10R1.176 Cn1cc(ccc1=O)S[13CH3] 62a_100011245003_200025704644 [1,1,0,0,0,0|1,1,0]=4 4997 B10R1.176 Cn1cc(ccc1=O)S[13CH3] 62a_200025704644_100011245003 [1,1,0,0,0,0|1,1,0]=4 4998 B10R1.176 N#Cc1ccc(c(c1)O)Br 271570a_203496583355_100012349583 [1,1,0,0,0,0|2,0,0]=4 4999 B10R1.176 N#Cc1ccc(c(c1)O)Cl 271570a_203496583355_100010199462 [1,1,0,0,0,0|2,0,0]=4 5000 B10R1.176 N#Cc1ccc(c(c1)O)F 271570a_203496583355_100000188605 [1,1,0,0,0,0|2,0,0]=4 5001 B10R1.176 N#Cc1ccc(c(c1)O)N 271570a_203496583355_100000736769 [1,1,0,0,0,0|2,0,0]=4 5002 B10R1.176 N#Cc1ccc(c(c1)O)O 271570a_203496583355_100000724445 [1,1,0,0,0,0|2,0,0]=4 5003 B10R1.176 N#Cc1ccc(c(c1)O)O 271570a_203496583355_100000725478 [1,1,0,0,0,0|2,0,0]=4 5004 B10R1.176 NCc1ccc(c(c1)O)F 271570a_203496583355_100015193890 [1,1,0,0,0,0|2,0,0]=4 5005 B10R1.176 NNc1ccc(c(c1)O)F 271570a_203496583355_200025705588 [1,1,0,0,0,0|2,0,0]=4 5006 B10R1.176 O=Cc1ccc(c(c1)O)Br 271570a_203496583355_100010146563 [1,1,0,0,0,0|2,0,0]=4 5007 B10R1.176 O=Cc1ccc(c(c1)O)Cl 271570a_203496583355_100010209939 [1,1,0,0,0,0|2,0,0]=4 5008 B10R1.176 O=Cc1ccc(c(c1)O)F 271570a_203496583355_100000211747 [1,1,0,0,0,0|2,0,0]=4 5009 B10R1.176 O=Cc1ccc(c(c1)O)O 271570a_203496583355_100000041418 [1,1,0,0,0,0|2,0,0]=4 5010 B10R1.176 O=Cc1ccc(c(c1)O)O 271570a_203496583355_100000184552 [1,1,0,0,0,0|2,0,0]=4 5011 B10R1.176 OCc1ccc(c(c1)O)F 271570a_203496583355_100000246287 [1,1,0,0,0,0|2,0,0]=4 5012 B10R1.176 OCc1ccc(c(c1)O)O 271570a_203496583355_100000049605 [1,1,0,0,0,0|2,0,0]=4 5013 B10R1.176 OCc1ccc(c(c1)O)O 271570a_203496583355_100011191544 [1,1,0,0,0,0|2,0,0]=4 5014 B10R1.176 [13CH3]Nc1ccc(c(c1)Br)Br 2230a_100011306057_200025704644 [1,1,0,0,0,0|2,0,0]=4 5015 B10R1.176 [13CH3]Nc1ccc(c(c1)Br)Br 34a_100011306057_200025704644 [1,1,0,0,0,0|2,0,0]=4 5016 B10R1.176 [13CH3]Nc1ccc(c(c1)Br)Br 7a_100011306057_200025704644 [1,1,0,0,0,0|2,0,0]=4 5017 B10R1.176 [13CH3]Nc1ccc(c(c1)Br)Cl 2230a_100000686031_200025704644 [1,1,0,0,0,0|2,0,0]=4 5018 B10R1.176 [13CH3]Nc1ccc(c(c1)Br)Cl 34a_100000686031_200025704644 [1,1,0,0,0,0|2,0,0]=4 5019 B10R1.176 [13CH3]Nc1ccc(c(c1)Br)F 2230a_100000760356_200025704644 [1,1,0,0,0,0|2,0,0]=4 5020 B10R1.176 [13CH3]Nc1ccc(c(c1)Br)F 34a_100000760356_200025704644 [1,1,0,0,0,0|2,0,0]=4 5021 B10R1.176 [13CH3]Nc1ccc(c(c1)Br)F 7a_100000760356_200025704644 [1,1,0,0,0,0|2,0,0]=4 5022 B10R1.176 [13CH3]Nc1ccc(c(c1)Br)I 34a_100000750458_200025704644 [1,1,0,0,0,0|2,0,0]=4 5023 B10R1.176 [13CH3]Nc1ccc(c(c1)Br)O 34a_100011534360_200025704644 [1,1,0,0,0,0|2,0,0]=4 5024 B10R1.176 [13CH3]Nc1ccc(c(c1)Cl)Br 2230a_100000687081_200025704644 [1,1,0,0,0,0|2,0,0]=4 5025 B10R1.176 [13CH3]Nc1ccc(c(c1)Cl)Br 34a_100000687081_200025704644 [1,1,0,0,0,0|2,0,0]=4 5026 B10R1.176 [13CH3]Nc1ccc(c(c1)Cl)Br 7a_100000687081_200025704644 [1,1,0,0,0,0|2,0,0]=4 5027 B10R1.176 [13CH3]Nc1ccc(c(c1)Cl)Cl 2230a_100000184108_200025704644 [1,1,0,0,0,0|2,0,0]=4 5028 B10R1.176 [13CH3]Nc1ccc(c(c1)Cl)Cl 34a_100000184108_200025704644 [1,1,0,0,0,0|2,0,0]=4 5029 B10R1.176 [13CH3]Nc1ccc(c(c1)Cl)F 2230a_100000211060_200025704644 [1,1,0,0,0,0|2,0,0]=4 5030 B10R1.176 [13CH3]Nc1ccc(c(c1)Cl)F 34a_100000211060_200025704644 [1,1,0,0,0,0|2,0,0]=4 5031 B10R1.176 [13CH3]Nc1ccc(c(c1)Cl)F 7a_100000211060_200025704644 [1,1,0,0,0,0|2,0,0]=4 5032 B10R1.176 [13CH3]Nc1ccc(c(c1)Cl)I 34a_100000761885_200025704644 [1,1,0,0,0,0|2,0,0]=4 5033 B10R1.176 [13CH3]Nc1ccc(c(c1)Cl)O 34a_100000744943_200025704644 [1,1,0,0,0,0|2,0,0]=4 5034 B10R1.176 [13CH3]Nc1ccc(c(c1)F)Br 2230a_100000759894_200025704644 [1,1,0,0,0,0|2,0,0]=4 5035 B10R1.176 [13CH3]Nc1ccc(c(c1)F)Br 34a_100000759894_200025704644 [1,1,0,0,0,0|2,0,0]=4 5036 B10R1.176 [13CH3]Nc1ccc(c(c1)F)Br 7a_100000759894_200025704644 [1,1,0,0,0,0|2,0,0]=4 5037 B10R1.176 [13CH3]Nc1ccc(c(c1)F)Cl 2230a_100000739366_200025704644 [1,1,0,0,0,0|2,0,0]=4 5038 B10R1.176 [13CH3]Nc1ccc(c(c1)F)Cl 34a_100000739366_200025704644 [1,1,0,0,0,0|2,0,0]=4 5039 B10R1.176 [13CH3]Nc1ccc(c(c1)F)Cl 7a_100000739366_200025704644 [1,1,0,0,0,0|2,0,0]=4 5040 B10R1.176 [13CH3]Nc1ccc(c(c1)F)F 2230a_100000210724_200025704644 [1,1,0,0,0,0|2,0,0]=4 5041 B10R1.176 [13CH3]Nc1ccc(c(c1)F)F 34a_100000210724_200025704644 [1,1,0,0,0,0|2,0,0]=4 5042 B10R1.176 [13CH3]Nc1ccc(c(c1)F)F 7a_100000210724_200025704644 [1,1,0,0,0,0|2,0,0]=4 5043 B10R1.176 [13CH3]Nc1ccc(c(c1)F)I 34a_100011356925_200025704644 [1,1,0,0,0,0|2,0,0]=4 5044 B10R1.176 [13CH3]Nc1ccc(c(c1)F)I 7a_100011356925_200025704644 [1,1,0,0,0,0|2,0,0]=4 5045 B10R1.176 [13CH3]Nc1ccc(c(c1)F)O 34a_100011220035_200025704644 [1,1,0,0,0,0|2,0,0]=4 5046 B10R1.176 [13CH3]Nc1ccc(c(c1)F)O 7a_100011220035_200025704644 [1,1,0,0,0,0|2,0,0]=4 5047 B10R1.176 [13CH3]Nc1ccc(c(c1)I)Br 34a_100000750459_200025704644 [1,1,0,0,0,0|2,0,0]=4 5048 B10R1.176 [13CH3]Nc1ccc(c(c1)I)Cl 34a_100012360549_200025704644 [1,1,0,0,0,0|2,0,0]=4 5049 B10R1.176 [13CH3]Nc1ccc(c(c1)I)F 34a_114828291077_200025704644 [1,1,0,0,0,0|2,0,0]=4 5050 B10R1.176 [13CH3]Nc1ccc(c(c1)I)F 7a_114828291077_200025704644 [1,1,0,0,0,0|2,0,0]=4 5051 B10R1.176 [13CH3]Nc1ccc(c(c1)O)Cl 34a_100011934209_200025704644 [1,1,0,0,0,0|1,0,0]=3 5052 B10R1.176 [13CH3]Nc1ccc(c(c1)O)F 34a_100012017398_200025704644 [1,1,0,0,0,0|1,0,0]=3 5053 B10R1.176 [13CH3]Nc1ccc(c(c1)O)F 7a_100012017398_200025704644 [1,1,0,0,0,0|1,0,0]=3 5054 B10R1.176 [13CH3]Nc1ccc(c(c1)O)O 34a_100102946323_200025704644 [1,1,0,0,0,0|1,0,0]=3 5055 B10R1.176 [13CH3]Oc1cc(c(cn1)Br)Cl 34a_100010369989_200025704644 [1,1,0,0,0,0|2,0,0]=4 5056 B10R1.176 [13CH3]Oc1cc(c(cn1)Cl)Cl 34a_200000099200_200025704644 [1,1,0,0,0,0|2,0,0]=4 5057 B10R1.176 [13CH3]Oc1ccc(c(c1)Br)Cl 34a_100011933957_200025704644 [1,1,0,0,0,0|1,0,0]=3 5058 B10R1.176 [13CH3]Oc1ccc(c(c1)Br)Cl 7a_100011933957_200025704644 [1,1,0,0,0,0|1,0,0]=3 5059 B10R1.176 [13CH3]Oc1ccc(c(c1)Br)F 34a_100000693481_200025704644 [1,1,0,0,0,0|1,0,0]=3 5060 B10R1.176 [13CH3]Oc1ccc(c(c1)Br)F 7a_100000693481_200025704644 [1,1,0,0,0,0|1,0,0]=3 5061 B10R1.176 [13CH3]Oc1ccc(c(c1)Br)I 34a_100000701344_200025704644 [1,1,0,0,0,0|1,0,0]=3 5062 B10R1.176 [13CH3]Oc1ccc(c(c1)Br)I 7a_100000701344_200025704644 [1,1,0,0,0,0|1,0,0]=3 5063 B10R1.176 [13CH3]Oc1ccc(c(c1)Br)N 34a_100012001276_200025704644 [1,1,0,0,0,0|1,0,0]=3 5064 B10R1.176 [13CH3]Oc1ccc(c(c1)Br)N 7a_100012001276_200025704644 [1,1,0,0,0,0|1,0,0]=3 5065 B10R1.176 [13CH3]Oc1ccc(c(c1)Cl)Br 34a_100011215161_200025704644 [1,1,0,0,0,0|1,0,0]=3 5066 B10R1.176 [13CH3]Oc1ccc(c(c1)Cl)Br 7a_100011215161_200025704644 [1,1,0,0,0,0|1,0,0]=3 5067 B10R1.176 [13CH3]Oc1ccc(c(c1)Cl)Cl 34a_100000211054_200025704644 [1,1,0,0,0,0|1,0,0]=3 5068 B10R1.176 [13CH3]Oc1ccc(c(c1)Cl)Cl 7a_100000211054_200025704644 [1,1,0,0,0,0|1,0,0]=3 5069 B10R1.176 [13CH3]Oc1ccc(c(c1)Cl)F 34a_100000211030_200025704644 [1,1,0,0,0,0|1,0,0]=3 5070 B10R1.176 [13CH3]Oc1ccc(c(c1)Cl)F 7a_100000211030_200025704644 [1,1,0,0,0,0|1,0,0]=3 5071 B10R1.176 [13CH3]Oc1ccc(c(c1)Cl)I 34a_100000047559_200025704644 [1,1,0,0,0,0|1,0,0]=3 5072 B10R1.176 [13CH3]Oc1ccc(c(c1)Cl)I 7a_100000047559_200025704644 [1,1,0,0,0,0|1,0,0]=3 5073 B10R1.176 [13CH3]Oc1ccc(c(c1)Cl)N 34a_100011215599_200025704644 [1,1,0,0,0,0|1,0,0]=3 5074 B10R1.176 [13CH3]Oc1ccc(c(c1)Cl)N 7a_100011215599_200025704644 [1,1,0,0,0,0|1,0,0]=3 5075 B10R1.176 [13CH3]Oc1ccc(c(c1)F)Br 34a_100000755031_200025704644 [1,1,0,0,0,0|1,0,0]=3 5076 B10R1.176 [13CH3]Oc1ccc(c(c1)F)Br 7a_100000755031_200025704644 [1,1,0,0,0,0|1,0,0]=3 5077 B10R1.176 [13CH3]Oc1ccc(c(c1)F)Cl 34a_100000691581_200025704644 [1,1,0,0,0,0|1,0,0]=3 5078 B10R1.176 [13CH3]Oc1ccc(c(c1)F)Cl 7a_100000691581_200025704644 [1,1,0,0,0,0|1,0,0]=3 5079 B10R1.176 [13CH3]Oc1ccc(c(c1)F)F 34a_100000181275_200025704644 [1,1,0,0,0,0|1,0,0]=3 5080 B10R1.176 [13CH3]Oc1ccc(c(c1)F)F 7a_100000181275_200025704644 [1,1,0,0,0,0|1,0,0]=3 5081 B10R1.176 [13CH3]Oc1ccc(c(c1)F)I 34a_100009990212_200025704644 [1,1,0,0,0,0|1,0,0]=3 5082 B10R1.176 [13CH3]Oc1ccc(c(c1)F)I 7a_100009990212_200025704644 [1,1,0,0,0,0|1,0,0]=3 5083 B10R1.176 [13CH3]Oc1ccc(c(c1)F)N 34a_100000759473_200025704644 [1,1,0,0,0,0|1,0,0]=3 5084 B10R1.176 [13CH3]Oc1ccc(c(c1)F)N 7a_100000759473_200025704644 [1,1,0,0,0,0|1,0,0]=3 5085 B10R1.176 [13CH3]Oc1ccc(c(c1)I)Br 34a_100012339312_200025704644 [1,1,0,0,0,0|1,0,0]=3 5086 B10R1.176 [13CH3]Oc1ccc(c(c1)I)Br 7a_100012339312_200025704644 [1,1,0,0,0,0|1,0,0]=3 5087 B10R1.176 [13CH3]Oc1ccc(c(c1)I)Cl 34a_100000049588_200025704644 [1,1,0,0,0,0|1,0,0]=3 5088 B10R1.176 [13CH3]Oc1ccc(c(c1)I)Cl 7a_100000049588_200025704644 [1,1,0,0,0,0|1,0,0]=3 5089 B10R1.176 [13CH3]Oc1ccc(c(c1)I)N 34a_100010084370_200025704644 [1,1,0,0,0,0|1,0,0]=3 5090 B10R1.176 [13CH3]Oc1ccc(c(c1)I)N 7a_100010084370_200025704644 [1,1,0,0,0,0|1,0,0]=3 5091 B10R1.176 [13CH3]Oc1ccc(c(c1)N)Br 34a_100011999798_200025704644 [1,1,0,0,0,0|1,0,0]=3 5092 B10R1.176 [13CH3]Oc1ccc(c(c1)N)Br 7a_100011999798_200025704644 [1,1,0,0,0,0|1,0,0]=3 5093 B10R1.176 [13CH3]Oc1ccc(c(c1)N)Cl 34a_100011934297_200025704644 [1,1,0,0,0,0|1,0,0]=3 5094 B10R1.176 [13CH3]Oc1ccc(c(c1)N)F 34a_100012017239_200025704644 [1,1,0,0,0,0|1,0,0]=3 5095 B10R1.176 [13CH3]Oc1ccc(c(c1)N)F 7a_100012017239_200025704644 [1,1,0,0,0,0|1,0,0]=3 5096 B10R1.176 [13CH3]Oc1ccc(c(c1)N)N 34a_100025771000_200025704644 [1,1,0,0,0,0|1,0,0]=3 5097 B10R1.176 [13CH3]Oc1ccc(c(n1)F)Br 34a_100009879308_200025704644 [1,1,0,0,0,0|2,0,0]=4 5098 B10R1.176 [13CH3]Oc1cnc(c(c1)Br)Cl 34a_100012356455_200025704644 [1,1,0,0,0,0|2,0,0]=4 5099 B10R1.176 [13CH3]Oc1cnc(c(c1)Br)Cl 7a_100012356455_200025704644 [1,1,0,0,0,0|2,0,0]=4 5100 B10R1.176 [13CH3]Oc1cnc(c(c1)Br)F 34a_100009817267_200025704644 [1,1,0,0,0,0|2,0,0]=4 5101 B10R1.176 [13CH3]Oc1cnc(c(c1)Br)F 7a_100009817267_200025704644 [1,1,0,0,0,0|2,0,0]=4 5102 B10R1.176 [13CH3]Oc1cnc(c(c1)Cl)Br 34a_100010209684_200025704644 [1,1,0,0,0,0|2,0,0]=4 5103 B10R1.176 [13CH3]Oc1cnc(c(c1)Cl)Br 7a_100010209684_200025704644 [1,1,0,0,0,0|2,0,0]=4 5104 B10R1.176 [13CH3]Oc1cnc(c(c1)Cl)Cl 34a_100000094354_200025704644 [1,1,0,0,0,0|2,0,0]=4 5105 B10R1.176 [13CH3]Oc1cnc(c(c1)Cl)Cl 7a_100000094354_200025704644 [1,1,0,0,0,0|2,0,0]=4 5106 B10R1.176 [13CH3]Oc1cnc(c(c1)Cl)F 34a_100000087088_200025704644 [1,1,0,0,0,0|2,0,0]=4 5107 B10R1.176 [13CH3]Oc1cnc(c(c1)Cl)F 7a_100000087088_200025704644 [1,1,0,0,0,0|2,0,0]=4 5108 B10R1.176 [13CH3]Oc1cnc(c(c1)F)Cl 34a_100000063512_200025704644 [1,1,0,0,0,0|2,0,0]=4 5109 B10R1.176 [13CH3]Oc1cnc(c(c1)F)Cl 7a_100000063512_200025704644 [1,1,0,0,0,0|2,0,0]=4 5110 B10R1.176 [13CH3]Sc1c[nH]c(=O)c(c1)O 62a_200025704644_100009814561 [1,1,0,0,0,0|1,1,0]=4 5111 B10R1.176 [13CH3]Sc1cc(c(cn1)F)O 62a_100009854642_200025704644 [1,1,0,0,0,0|1,1,0]=4 5112 B10R1.176 [13CH3]Sc1cc(c(cn1)F)O 62a_200025704644_100009854642 [1,1,0,0,0,0|1,1,0]=4 5113 B10R1.176 [13CH3]Sc1ccc(c(c1)Br)Br 62a_100012356285_200025704644 [1,1,0,0,0,0|1,1,0]=4 5114 B10R1.176 [13CH3]Sc1ccc(c(c1)Br)Br 62a_200025704644_100012356285 [1,1,0,0,0,0|1,1,0]=4 5115 B10R1.176 [13CH3]Sc1ccc(c(c1)Br)Cl 62a_100012353702_200025704644 [1,1,0,0,0,0|1,1,0]=4 5116 B10R1.176 [13CH3]Sc1ccc(c(c1)Br)Cl 62a_200025704644_100012353702 [1,1,0,0,0,0|1,1,0]=4 5117 B10R1.176 [13CH3]Sc1ccc(c(c1)Br)F 62a_100012047266_200025704644 [1,1,0,0,0,0|1,1,0]=4 5118 B10R1.176 [13CH3]Sc1ccc(c(c1)Br)F 62a_200025704644_100012047266 [1,1,0,0,0,0|1,1,0]=4 5119 B10R1.176 [13CH3]Sc1ccc(c(c1)Br)N 62a_100000750455_200025704644 [1,1,0,0,0,0|1,1,0]=4 5120 B10R1.176 [13CH3]Sc1ccc(c(c1)Br)N 62a_200025704644_100000750455 [1,1,0,0,0,0|1,1,0]=4 5121 B10R1.176 [13CH3]Sc1ccc(c(c1)Br)O 62a_100012361655_200025704644 [1,1,0,0,0,0|1,1,0]=4 5122 B10R1.176 [13CH3]Sc1ccc(c(c1)Br)O 62a_200025704644_100012361655 [1,1,0,0,0,0|1,1,0]=4 5123 B10R1.176 [13CH3]Sc1ccc(c(c1)Cl)Br 62a_100012047281_200025704644 [1,1,0,0,0,0|1,1,0]=4 5124 B10R1.176 [13CH3]Sc1ccc(c(c1)Cl)Br 62a_200025704644_100012047281 [1,1,0,0,0,0|1,1,0]=4 5125 B10R1.176 [13CH3]Sc1ccc(c(c1)Cl)Cl 62a_100011214914_200025704644 [1,1,0,0,0,0|1,1,0]=4 5126 B10R1.176 [13CH3]Sc1ccc(c(c1)Cl)Cl 62a_200025704644_100011214914 [1,1,0,0,0,0|1,1,0]=4 5127 B10R1.176 [13CH3]Sc1ccc(c(c1)Cl)F 62a_100011215976_200025704644 [1,1,0,0,0,0|1,1,0]=4 5128 B10R1.176 [13CH3]Sc1ccc(c(c1)Cl)F 62a_200025704644_100011215976 [1,1,0,0,0,0|1,1,0]=4 5129 B10R1.176 [13CH3]Sc1ccc(c(c1)Cl)N 62a_100011218065_200025704644 [1,1,0,0,0,0|1,1,0]=4 5130 B10R1.176 [13CH3]Sc1ccc(c(c1)Cl)N 62a_200025704644_100011218065 [1,1,0,0,0,0|1,1,0]=4 5131 B10R1.176 [13CH3]Sc1ccc(c(c1)Cl)O 62a_100012360047_200025704644 [1,1,0,0,0,0|1,1,0]=4 5132 B10R1.176 [13CH3]Sc1ccc(c(c1)Cl)O 62a_200025704644_100012360047 [1,1,0,0,0,0|1,1,0]=4 5133 B10R1.176 [13CH3]Sc1ccc(c(c1)F)Br 62a_100000685389_200025704644 [1,1,0,0,0,0|1,1,0]=4 5134 B10R1.176 [13CH3]Sc1ccc(c(c1)F)Br 62a_200025704644_100000685389 [1,1,0,0,0,0|1,1,0]=4 5135 B10R1.176 [13CH3]Sc1ccc(c(c1)F)Cl 62a_100011216805_200025704644 [1,1,0,0,0,0|1,1,0]=4 5136 B10R1.176 [13CH3]Sc1ccc(c(c1)F)Cl 62a_200025704644_100011216805 [1,1,0,0,0,0|1,1,0]=4 5137 B10R1.176 [13CH3]Sc1ccc(c(c1)F)F 62a_100000703953_200025704644 [1,1,0,0,0,0|1,1,0]=4 5138 B10R1.176 [13CH3]Sc1ccc(c(c1)F)F 62a_200025704644_100000703953 [1,1,0,0,0,0|1,1,0]=4 5139 B10R1.176 [13CH3]Sc1ccc(c(c1)F)N 62a_100011215594_200025704644 [1,1,0,0,0,0|1,1,0]=4 5140 B10R1.176 [13CH3]Sc1ccc(c(c1)F)N 62a_200025704644_100011215594 [1,1,0,0,0,0|1,1,0]=4 5141 B10R1.176 [13CH3]Sc1ccc(c(c1)F)O 62a_100000185481_200025704644 [1,1,0,0,0,0|1,1,0]=4 5142 B10R1.176 [13CH3]Sc1ccc(c(c1)F)O 62a_200025704644_100000185481 [1,1,0,0,0,0|1,1,0]=4 5143 B10R1.176 [13CH3]Sc1ccc(c(c1)N)Br 62a_100000750456_200025704644 [1,1,0,0,0,0|1,1,0]=4 5144 B10R1.176 [13CH3]Sc1ccc(c(c1)N)Br 62a_200025704644_100000750456 [1,1,0,0,0,0|1,1,0]=4 5145 B10R1.176 [13CH3]Sc1ccc(c(c1)N)Cl 62a_200000761891_200025704644 [1,1,0,0,0,0|1,1,0]=4 5146 B10R1.176 [13CH3]Sc1ccc(c(c1)N)Cl 62a_200025704644_200000761891 [1,1,0,0,0,0|1,1,0]=4 5147 B10R1.176 [13CH3]Sc1ccc(c(c1)N)F 62a_100000740924_200025704644 [1,1,0,0,0,0|1,1,0]=4 5148 B10R1.176 [13CH3]Sc1ccc(c(c1)N)F 62a_200025704644_100000740924 [1,1,0,0,0,0|1,1,0]=4 5149 B10R1.176 [13CH3]Sc1ccc(c(c1)N)N 62a_100000741789_200025704644 [1,1,0,0,0,0|1,1,0]=4 5150 B10R1.176 [13CH3]Sc1ccc(c(c1)N)N 62a_200025704644_100011534411 [1,1,0,0,0,0|1,1,0]=4 5151 B10R1.176 [13CH3]Sc1ccc(c(c1)N)O 62a_100000752626_200025704644 [1,1,0,0,0,0|1,1,0]=4 5152 B10R1.176 [13CH3]Sc1ccc(c(c1)N)O 62a_200025704644_100000752626 [1,1,0,0,0,0|1,1,0]=4 5153 B10R1.176 [13CH3]Sc1ccc(c(c1)O)Br 62a_100012356990_200025704644 [1,1,0,0,0,0|0,1,0]=3 5154 B10R1.176 [13CH3]Sc1ccc(c(c1)O)Br 62a_200025704644_100012356990 [1,1,0,0,0,0|0,1,0]=3 5155 B10R1.176 [13CH3]Sc1ccc(c(c1)O)Cl 62a_100011356854_200025704644 [1,1,0,0,0,0|0,1,0]=3 5156 B10R1.176 [13CH3]Sc1ccc(c(c1)O)Cl 62a_200025704644_100011356854 [1,1,0,0,0,0|0,1,0]=3 5157 B10R1.176 [13CH3]Sc1ccc(c(c1)O)F 62a_100000686035_200025704644 [1,1,0,0,0,0|0,1,0]=3 5158 B10R1.176 [13CH3]Sc1ccc(c(c1)O)F 62a_200025704644_100000686035 [1,1,0,0,0,0|0,1,0]=3 5159 B10R1.176 [13CH3]Sc1ccc(c(c1)O)N 62a_100000739049_200025704644 [1,1,0,0,0,0|0,1,0]=3 5160 B10R1.176 [13CH3]Sc1ccc(c(c1)O)N 62a_200025704644_100000739049 [1,1,0,0,0,0|0,1,0]=3 5161 B10R1.176 [13CH3]Sc1ccc(c(c1)O)O 62a_200025704644_100009813601 [1,1,0,0,0,0|0,1,0]=3 5162 B10R1.176 [13CH3]Sc1ccc(c(n1)O)F 62a_200025704644_100010729010 [1,1,0,0,0,0|1,1,0]=4 5163 B10R1.176 [13CH3]Sc1ccc(c(n1)O)N 62a_100000718904_200025704644 [1,1,0,0,0,0|1,1,0]=4 5164 B10R1.176 [13CH3]Sc1cnc(c(c1)O)F 62a_100009819871_200025704644 [1,1,0,0,0,0|1,1,0]=4 5165 B10R1.176 [13CH3]Sc1cnc(c(c1)O)F 62a_200025704644_100009819871 [1,1,0,0,0,0|1,1,0]=4 5166 B10R1.176 [13CH3]Sc1cnc(c(c1)O)N 62a_100009819042_200025704644 [1,1,0,0,0,0|1,1,0]=4 5167 B10R1.176 [13CH3]Sc1cnc(c(c1)O)N 62a_200025704644_100009819042 [1,1,0,0,0,0|1,1,0]=4 5168 B10R1.5 CNCc1occc1OC 207a_100102657272_200009856553 [0,1,0,0,1,0|2,0,0]=4 5169 B10R1.5 CNCc1occc1OC 270004a_106832991635_200009856553 [0,1,0,0,1,0|2,0,0]=4 5170 B10R1.5 CNCc1sccc1OC 207a_100102657272_100000689126 [0,1,0,0,1,0|2,0,0]=4 5171 B10R1.5 CNCc1sccc1OC 270004a_106832991635_100000689126 [0,1,0,0,1,0|2,0,0]=4 5172 B10R1.96 COCc1cc(cs1)SC 62a_100011542528_200000210301 [0,1,0,0,1,0|1,1,0]=4 5173 B10R1.96 COCc1cc(cs1)SC 62a_200000210301_100011542528 [0,1,0,0,1,0|1,1,0]=4 5174 B10R1.96 COCc1cc(cs1)S[13CH3] 62a_100011542528_200025704644 [0,1,0,0,1,0|1,1,0]=4 5175 B10R1.96 COCc1cc(cs1)S[13CH3] 62a_200025704644_100011542528 [0,1,0,0,1,0|1,1,0]=4 5176 B12R1.11 C=C(C)c1cc(cc(c1)CC)N 271570a_100000694244_100010074814 [0,2,0,0,0,0|2,0,0]=4 5177 B12R1.11 C=C(C)c1cc(cc(c1)NC)F 271570a_100000694244_106741647397 [0,2,0,0,0,0|2,0,0]=4 5178 B12R1.11 C=C(C)c1cc(cc(c1)OC)Br 271570a_100000694244_100010141301 [0,2,0,0,0,0|1,0,0]=3 5179 B12R1.11 C=C(C)c1cc(cc(c1)OC)C 271570a_100000694244_100010187550 [0,2,0,0,0,0|1,0,0]=3 5180 B12R1.11 C=C(C)c1cc(cc(c1)OC)Cl 271570a_100000694244_100010147680 [0,2,0,0,0,0|1,0,0]=3 5181 B12R1.11 C=C(C)c1cc(cc(c1)OC)F 271570a_100000694244_100011934182 [0,2,0,0,0,0|1,0,0]=3 5182 B12R1.11 C=C(C)c1cc(cc(c1)OC)N 271570a_100000694244_100000750983 [0,2,0,0,0,0|1,0,0]=3 5183 B12R1.11 C=C(C)c1cc(cc(c1)OC)O 271570a_100000694244_100010068927 [0,2,0,0,0,0|1,0,0]=3 5184 B12R1.11 C=C(C)c1cc(cc(c1)SC)C 271570a_100000694244_200010709730 [0,2,0,0,0,0|1,1,0]=4 5185 B12R1.11 C=C(C)c1cc(cc(c1)SC)F 271570a_100000694244_200010245467 [0,2,0,0,0,0|1,1,0]=4 5186 B12R1.11 C=C(C)c1cc(cc(n1)C)OC 271570a_100000694244_200009849800 [0,2,0,0,0,0|2,0,0]=4 5187 B12R1.11 C=C(C)c1cc(cc(n1)N)OC 271570a_100000694244_100010257270 [0,2,0,0,0,0|2,0,0]=4 5188 B12R1.11 C=C(C)c1cc(cc(n1)OC)C 271570a_100000694244_100009856763 [0,2,0,0,0,0|2,0,0]=4 5189 B12R1.11 C=C(C)c1cc(cc(n1)OC)N 271570a_100000694244_100012187057 [0,2,0,0,0,0|2,0,0]=4 5190 B12R1.11 C=C(C)c1cc(nc(c1)OC)C 271570a_100000694244_100010067692 [0,2,0,0,0,0|2,0,0]=4 5191 B12R1.11 C=C(C)c1cc(nc(c1)OC)N 271570a_100000694244_100010136845 [0,2,0,0,0,0|2,0,0]=4 5192 B12R1.11 CC(=O)c1cc(cc(c1)O[13CH3])C 34a_100009855872_200025704644 [0,2,0,0,0,0|1,0,0]=3 5193 B12R1.11 CC(=O)c1cc(cc(c1)O[13CH3])C 7a_100009855872_200025704644 [0,2,0,0,0,0|1,0,0]=3 5194 B12R1.11 CC(=O)c1cc(cc(c1)S[13CH3])Br 62a_100010005435_200025704644 [0,2,0,0,0,0|1,1,0]=4 5195 B12R1.11 CC(=O)c1cc(cc(c1)S[13CH3])Br 62a_200025704644_100010005435 [0,2,0,0,0,0|1,1,0]=4 5196 B12R1.11 CC(=O)c1cc(cc(c1)S[13CH3])C 62a_100000694479_200025704644 [0,2,0,0,0,0|1,1,0]=4 5197 B12R1.11 CC(=O)c1cc(cc(c1)S[13CH3])C 62a_200025704644_100000694479 [0,2,0,0,0,0|1,1,0]=4 5198 B12R1.11 CC(=O)c1cc(cc(c1)S[13CH3])F 62a_100012361402_200025704644 [0,2,0,0,0,0|1,1,0]=4 5199 B12R1.11 CC(=O)c1cc(cc(c1)S[13CH3])F 62a_200025704644_100012361402 [0,2,0,0,0,0|1,1,0]=4 5200 B12R1.11 CC(C)c1cc(cc(c1)N[13CH3])Br 2230a_100010369243_200025704644 [0,2,0,0,0,0|2,0,0]=4 5201 B12R1.11 CC(C)c1cc(cc(c1)N[13CH3])Br 34a_100010369243_200025704644 [0,2,0,0,0,0|2,0,0]=4 5202 B12R1.11 CC(C)c1cc(cc(c1)N[13CH3])Br 7a_100010369243_200025704644 [0,2,0,0,0,0|2,0,0]=4 5203 B12R1.11 CC(C)c1cc(cc(c1)S[13CH3])Br 62a_200015473176_200025704644 [0,2,0,0,0,0|1,1,0]=4 5204 B12R1.11 CC(C)c1cc(cc(c1)S[13CH3])Br 62a_200025704644_200015473176 [0,2,0,0,0,0|1,1,0]=4 5205 B12R1.11 CC(C)c1cc(cc(c1)S[13CH3])N 62a_100010369243_200025704644 [0,2,0,0,0,0|1,1,0]=4 5206 B12R1.11 CC(C)c1cc(cc(c1)S[13CH3])N 62a_200025704644_100010369243 [0,2,0,0,0,0|1,1,0]=4 5207 B12R1.11 CNc1cc(cc(c1)C(C)C)Br 2230a_100010369243_200000210301 [0,2,0,0,0,0|2,0,0]=4 5208 B12R1.11 CNc1cc(cc(c1)C(C)C)Br 34a_100010369243_200000210301 [0,2,0,0,0,0|2,0,0]=4 5209 B12R1.11 CNc1cc(cc(c1)C(C)C)Br 7a_100010369243_200000210301 [0,2,0,0,0,0|2,0,0]=4 5210 B12R1.11 COc1cc(cc(c1)B(O)O)O 271570a_203496583355_100009814751 [0,2,0,0,0,0|2,0,0]=4 5211 B12R1.11 COc1cc(cc(c1)C(=O)C)Br 1458a_100011934030_200000210301 [0,2,0,0,0,0|1,0,0]=3 5212 B12R1.11 COc1cc(cc(c1)C(=O)C)C 1458a_100000117910_200000210301 [0,2,0,0,0,0|1,0,0]=3 5213 B12R1.11 COc1cc(cc(c1)C(=O)C)C 34a_100009855872_200000210301 [0,2,0,0,0,0|1,0,0]=3 5214 B12R1.11 COc1cc(cc(c1)C(=O)C)C 7a_100009855872_200000210301 [0,2,0,0,0,0|1,0,0]=3 5215 B12R1.11 COc1cc(cc(c1)C(=O)C)Cl 1458a_100000066651_200000210301 [0,2,0,0,0,0|1,0,0]=3 5216 B12R1.11 COc1cc(cc(c1)C(=O)C)F 1458a_100011934639_200000210301 [0,2,0,0,0,0|1,0,0]=3 5217 B12R1.11 COc1cc(cc(c1)C(=O)C)I 1458a_200010292657_200000210301 [0,2,0,0,0,0|1,0,0]=3 5218 B12R1.11 COc1cc(cc(c1)C(=O)C)O 1458a_100000083963_200000210301 [0,2,0,0,0,0|1,0,0]=3 5219 B12R1.11 COc1cc(cc(c1)C(=O)C)O 271570a_203496583355_100010713257 [0,2,0,0,0,0|1,0,0]=3 5220 B12R1.11 COc1cc(cc(c1)C(=O)N)Br 34a_100010084318_200000210301 [0,2,0,0,0,0|2,0,0]=4 5221 B12R1.11 COc1cc(cc(c1)C(=O)N)Br 7a_100010084318_200000210301 [0,2,0,0,0,0|2,0,0]=4 5222 B12R1.11 COc1cc(cc(c1)C(=O)N)O 271570a_203496583355_100010146780 [0,2,0,0,0,0|2,0,0]=4 5223 B12R1.11 COc1cc(cc(c1)C(=O)[13CH3])Br 1458a_100011934030_200025704644 [0,2,0,0,0,0|1,0,0]=3 5224 B12R1.11 COc1cc(cc(c1)C(=O)[13CH3])C 1458a_100000117910_200025704644 [0,2,0,0,0,0|1,0,0]=3 5225 B12R1.11 COc1cc(cc(c1)C(=O)[13CH3])Cl 1458a_100000066651_200025704644 [0,2,0,0,0,0|1,0,0]=3 5226 B12R1.11 COc1cc(cc(c1)C(=O)[13CH3])F 1458a_100011934639_200025704644 [0,2,0,0,0,0|1,0,0]=3 5227 B12R1.11 COc1cc(cc(c1)C(=O)[13CH3])I 1458a_200010292657_200025704644 [0,2,0,0,0,0|1,0,0]=3 5228 B12R1.11 COc1cc(cc(c1)C(=O)[13CH3])O 1458a_100000083963_200025704644 [0,2,0,0,0,0|1,0,0]=3 5229 B12R1.11 COc1cc(cc(c1)[N+](=O)[O-])Br 34a_100010219246_200000210301 [0,2,0,0,0,0|2,0,0]=4 5230 B12R1.11 COc1cc(cc(c1)[N+](=O)[O-])Br 7a_100010219246_200000210301 [0,2,0,0,0,0|2,0,0]=4 5231 B12R1.11 COc1cc(cc(c1)[N+](=O)[O-])C 34a_200000091708_200000210301 [0,2,0,0,0,0|2,0,0]=4 5232 B12R1.11 COc1cc(cc(c1)[N+](=O)[O-])C 7a_200000091708_200000210301 [0,2,0,0,0,0|2,0,0]=4 5233 B12R1.11 COc1cc(cc(c1)[N+](=O)[O-])Cl 34a_100000118981_200000210301 [0,2,0,0,0,0|2,0,0]=4 5234 B12R1.11 COc1cc(cc(c1)[N+](=O)[O-])Cl 7a_100000118981_200000210301 [0,2,0,0,0,0|2,0,0]=4 5235 B12R1.11 COc1cc(cc(c1)[N+](=O)[O-])F 34a_100000690918_200000210301 [0,2,0,0,0,0|2,0,0]=4 5236 B12R1.11 COc1cc(cc(c1)[N+](=O)[O-])F 7a_100000690918_200000210301 [0,2,0,0,0,0|2,0,0]=4 5237 B12R1.11 COc1cc(nc(c1)N(C)C)C 34a_200009824162_200000210301 [0,2,0,0,0,0|2,0,0]=4 5238 B12R1.11 CSc1cc(cc(c1)C(=O)C)Br 62a_100010005435_200000210301 [0,2,0,0,0,0|1,1,0]=4 5239 B12R1.11 CSc1cc(cc(c1)C(=O)C)Br 62a_200000210301_100010005435 [0,2,0,0,0,0|1,1,0]=4 5240 B12R1.11 CSc1cc(cc(c1)C(=O)C)C 62a_100000694479_200000210301 [0,2,0,0,0,0|1,1,0]=4 5241 B12R1.11 CSc1cc(cc(c1)C(=O)C)C 62a_200000210301_100000694479 [0,2,0,0,0,0|1,1,0]=4 5242 B12R1.11 CSc1cc(cc(c1)C(=O)C)F 62a_100012361402_200000210301 [0,2,0,0,0,0|1,1,0]=4 5243 B12R1.11 CSc1cc(cc(c1)C(=O)C)F 62a_200000210301_100012361402 [0,2,0,0,0,0|1,1,0]=4 5244 B12R1.11 CSc1cc(cc(c1)C(C)C)Br 62a_200000210301_200015473176 [0,2,0,0,0,0|1,1,0]=4 5245 B12R1.11 CSc1cc(cc(c1)C(C)C)Br 62a_200015473176_200000210301 [0,2,0,0,0,0|1,1,0]=4 5246 B12R1.11 CSc1cc(cc(c1)C(C)C)N 62a_100010369243_200000210301 [0,2,0,0,0,0|1,1,0]=4 5247 B12R1.11 CSc1cc(cc(c1)C(C)C)N 62a_200000210301_100010369243 [0,2,0,0,0,0|1,1,0]=4 5248 B12R1.11 Cc1cc(cc(c1)[N+](=O)[O-])O[13CH3] 34a_200000091708_200025704644 [0,2,0,0,0,0|2,0,0]=4 5249 B12R1.11 Cc1cc(cc(c1)[N+](=O)[O-])O[13CH3] 7a_200000091708_200025704644 [0,2,0,0,0,0|2,0,0]=4 5250 B12R1.11 Cc1cc(cc(n1)N(C)C)O[13CH3] 34a_200009824162_200025704644 [0,2,0,0,0,0|2,0,0]=4 5251 B12R1.11 [13CH3]Oc1cc(cc(c1)C(=O)N)Br 34a_100010084318_200025704644 [0,2,0,0,0,0|2,0,0]=4 5252 B12R1.11 [13CH3]Oc1cc(cc(c1)C(=O)N)Br 7a_100010084318_200025704644 [0,2,0,0,0,0|2,0,0]=4 5253 B12R1.11 [13CH3]Oc1cc(cc(c1)[N+](=O)[O-])Br 34a_100010219246_200025704644 [0,2,0,0,0,0|2,0,0]=4 5254 B12R1.11 [13CH3]Oc1cc(cc(c1)[N+](=O)[O-])Br 7a_100010219246_200025704644 [0,2,0,0,0,0|2,0,0]=4 5255 B12R1.11 [13CH3]Oc1cc(cc(c1)[N+](=O)[O-])Cl 34a_100000118981_200025704644 [0,2,0,0,0,0|2,0,0]=4 5256 B12R1.11 [13CH3]Oc1cc(cc(c1)[N+](=O)[O-])Cl 7a_100000118981_200025704644 [0,2,0,0,0,0|2,0,0]=4 5257 B12R1.11 [13CH3]Oc1cc(cc(c1)[N+](=O)[O-])F 34a_100000690918_200025704644 [0,2,0,0,0,0|2,0,0]=4 5258 B12R1.11 [13CH3]Oc1cc(cc(c1)[N+](=O)[O-])F 7a_100000690918_200025704644 [0,2,0,0,0,0|2,0,0]=4 5259 B12R1.41 C=C=Cc1cc(cc(c1)OC)Br 271570a_100015277604_100010141301 [0,2,0,0,0,0|1,0,1]=4 5260 B12R1.41 C=C=Cc1cc(cc(c1)OC)C 271570a_100015277604_100010187550 [0,2,0,0,0,0|1,0,1]=4 5261 B12R1.41 C=C=Cc1cc(cc(c1)OC)Cl 271570a_100015277604_100010147680 [0,2,0,0,0,0|1,0,1]=4 5262 B12R1.41 C=C=Cc1cc(cc(c1)OC)F 271570a_100015277604_100011934182 [0,2,0,0,0,0|1,0,1]=4 5263 B12R1.41 C=C=Cc1cc(cc(c1)OC)N 271570a_100015277604_100000750983 [0,2,0,0,0,0|1,0,1]=4 5264 B12R1.41 C=C=Cc1cc(cc(c1)OC)O 271570a_100015277604_100010068927 [0,2,0,0,0,0|1,0,1]=4 5265 B12R1.41 C=Cc1cc(cc(c1)COC)F 271570a_100011290941_100012630430 [0,2,0,0,0,0|1,0,1]=4 5266 B12R1.41 C=Cc1cc(cc(c1)OCC)F 271570a_100011290941_100012343907 [0,2,0,0,0,0|1,0,1]=4 5267 B12R1.41 CC=Cc1cc(cc(c1)CC)N 271570a_100016259895_100010074814 [0,2,0,0,0,0|2,0,0]=4 5268 B12R1.41 CC=Cc1cc(cc(c1)NC)F 271570a_100016259895_106741647397 [0,2,0,0,0,0|2,0,0]=4 5269 B12R1.41 CC=Cc1cc(cc(c1)OC)Br 271570a_100016259895_100010141301 [0,2,0,0,0,0|1,0,0]=3 5270 B12R1.41 CC=Cc1cc(cc(c1)OC)C 271570a_100016259895_100010187550 [0,2,0,0,0,0|1,0,0]=3 5271 B12R1.41 CC=Cc1cc(cc(c1)OC)Cl 271570a_100016259895_100010147680 [0,2,0,0,0,0|1,0,0]=3 5272 B12R1.41 CC=Cc1cc(cc(c1)OC)F 271570a_100016259895_100011934182 [0,2,0,0,0,0|1,0,0]=3 5273 B12R1.41 CC=Cc1cc(cc(c1)OC)N 271570a_100016259895_100000750983 [0,2,0,0,0,0|1,0,0]=3 5274 B12R1.41 CC=Cc1cc(cc(c1)OC)O 271570a_100016259895_100010068927 [0,2,0,0,0,0|1,0,0]=3 5275 B12R1.41 CC=Cc1cc(cc(c1)SC)C 271570a_100016259895_200010709730 [0,2,0,0,0,0|1,1,0]=4 5276 B12R1.41 CC=Cc1cc(cc(c1)SC)F 271570a_100016259895_200010245467 [0,2,0,0,0,0|1,1,0]=4 5277 B12R1.41 CC=Cc1cc(cc(n1)C)OC 271570a_100016259895_200009849800 [0,2,0,0,0,0|2,0,0]=4 5278 B12R1.41 CC=Cc1cc(cc(n1)N)OC 271570a_100016259895_100010257270 [0,2,0,0,0,0|2,0,0]=4 5279 B12R1.41 CC=Cc1cc(cc(n1)OC)C 271570a_100016259895_100009856763 [0,2,0,0,0,0|2,0,0]=4 5280 B12R1.41 CC=Cc1cc(cc(n1)OC)N 271570a_100016259895_100012187057 [0,2,0,0,0,0|2,0,0]=4 5281 B12R1.41 CC=Cc1cc(nc(c1)OC)C 271570a_100016259895_100010067692 [0,2,0,0,0,0|2,0,0]=4 5282 B12R1.41 CC=Cc1cc(nc(c1)OC)N 271570a_100016259895_100010136845 [0,2,0,0,0,0|2,0,0]=4 5283 B12R1.41 CCNc1cc(cc(c1)CC)Br 2230a_100010074814_100000210202 [0,2,0,0,0,0|2,0,0]=4 5284 B12R1.41 CCNc1cc(cc(c1)CC)Br 34a_100010074814_100000210202 [0,2,0,0,0,0|2,0,0]=4 5285 B12R1.41 CCNc1cc(cc(c1)CC)Br 7a_100010074814_100000210202 [0,2,0,0,0,0|2,0,0]=4 5286 B12R1.41 CCNc1cc(cc(c1)CC)C 2230a_100012022893_100000210202 [0,2,0,0,0,0|2,0,0]=4 5287 B12R1.41 CCNc1cc(cc(c1)CC)C 34a_100012022893_100000210202 [0,2,0,0,0,0|2,0,0]=4 5288 B12R1.41 CCNc1cc(cc(c1)CC)C 7a_100012022893_100000210202 [0,2,0,0,0,0|2,0,0]=4 5289 B12R1.41 CCNc1cc(cc(c1)OC)Br 34a_100000750983_100000210202 [0,2,0,0,0,0|1,0,0]=3 5290 B12R1.41 CCNc1cc(cc(c1)OC)Br 7a_100000750983_100000210202 [0,2,0,0,0,0|1,0,0]=3 5291 B12R1.41 CCNc1cc(cc(c1)OC)C 2230a_100012001870_100000210202 [0,2,0,0,0,0|1,0,0]=3 5292 B12R1.41 CCNc1cc(cc(c1)OC)C 34a_100012001870_100000210202 [0,2,0,0,0,0|1,0,0]=3 5293 B12R1.41 CCNc1cc(cc(c1)OC)C 7a_100012001870_100000210202 [0,2,0,0,0,0|1,0,0]=3 5294 B12R1.41 CCNc1cc(cc(c1)OC)Cl 2230a_100000051436_100000210202 [0,2,0,0,0,0|1,0,0]=3 5295 B12R1.41 CCNc1cc(cc(c1)OC)Cl 34a_100000051436_100000210202 [0,2,0,0,0,0|1,0,0]=3 5296 B12R1.41 CCNc1cc(cc(c1)OC)Cl 7a_100000051436_100000210202 [0,2,0,0,0,0|1,0,0]=3 5297 B12R1.41 CCNc1cc(cc(c1)OC)F 2230a_100000687699_100000210202 [0,2,0,0,0,0|1,0,0]=3 5298 B12R1.41 CCNc1cc(cc(c1)OC)F 34a_100000687699_100000210202 [0,2,0,0,0,0|1,0,0]=3 5299 B12R1.41 CCNc1cc(cc(c1)OC)F 7a_100000687699_100000210202 [0,2,0,0,0,0|1,0,0]=3 5300 B12R1.41 CCNc1cc(cc(c1)OC)O 34a_200000692186_100000210202 [0,2,0,0,0,0|1,0,0]=3 5301 B12R1.41 CCOc1cc(cc(c1)C#N)Br 34a_100012180112_100000210202 [0,2,0,0,0,0|2,0,0]=4 5302 B12R1.41 CCOc1cc(cc(c1)C#N)Br 7a_100012180112_100000210202 [0,2,0,0,0,0|2,0,0]=4 5303 B12R1.41 CCOc1cc(cc(c1)C#N)C 34a_100009849966_100000210202 [0,2,0,0,0,0|2,0,0]=4 5304 B12R1.41 CCOc1cc(cc(c1)C#N)C 7a_100009849966_100000210202 [0,2,0,0,0,0|2,0,0]=4 5305 B12R1.41 CCOc1cc(cc(c1)C#N)Cl 34a_100000724442_100000210202 [0,2,0,0,0,0|2,0,0]=4 5306 B12R1.41 CCOc1cc(cc(c1)C#N)Cl 7a_100000724442_100000210202 [0,2,0,0,0,0|2,0,0]=4 5307 B12R1.41 CCOc1cc(cc(c1)C#N)F 34a_100000732150_100000210202 [0,2,0,0,0,0|2,0,0]=4 5308 B12R1.41 CCOc1cc(cc(c1)C#N)F 7a_100000732150_100000210202 [0,2,0,0,0,0|2,0,0]=4 5309 B12R1.41 CCOc1cc(cc(c1)CN)Cl 34a_107254831445_100000210202 [0,2,0,0,0,0|2,0,0]=4 5310 B12R1.41 CCOc1cc(cc(c1)CN)F 34a_100160469513_100000210202 [0,2,0,0,0,0|2,0,0]=4 5311 B12R1.41 CCOc1cc(cc(c1)CO)N 34a_200000124675_100000210202 [0,2,0,0,0,0|2,0,0]=4 5312 B12R1.41 CCOc1cc(cc(c1)OC)Br 34a_100010068927_100000210202 [0,2,0,0,0,0|0,0,0]=2 5313 B12R1.41 CCOc1cc(cc(c1)OC)Br 7a_100010068927_100000210202 [0,2,0,0,0,0|0,0,0]=2 5314 B12R1.41 CCOc1cc(cc(c1)OC)C 34a_100011216608_100000210202 [0,2,0,0,0,0|0,0,0]=2 5315 B12R1.41 CCOc1cc(cc(c1)OC)C 7a_100011216608_100000210202 [0,2,0,0,0,0|0,0,0]=2 5316 B12R1.41 CCOc1cc(cc(c1)OC)Cl 34a_100000051430_100000210202 [0,2,0,0,0,0|0,0,0]=2 5317 B12R1.41 CCOc1cc(cc(c1)OC)Cl 7a_100000051430_100000210202 [0,2,0,0,0,0|0,0,0]=2 5318 B12R1.41 CCOc1cc(cc(c1)OC)F 34a_100011369910_100000210202 [0,2,0,0,0,0|0,0,0]=2 5319 B12R1.41 CCOc1cc(cc(c1)OC)F 7a_100011369910_100000210202 [0,2,0,0,0,0|0,0,0]=2 5320 B12R1.41 CCOc1cc(cc(c1)OC)N 34a_200000692186_100000210202 [0,2,0,0,0,0|0,0,0]=2 5321 B12R1.41 CCOc1cc(cc(c1)OC)N 7a_200000692186_100000210202 [0,2,0,0,0,0|0,0,0]=2 5322 B12R1.41 CCOc1cc(cc(c1)SC)F 62a_100012343907_200000210301 [0,2,0,0,0,0|0,1,0]=3 5323 B12R1.41 CCOc1cc(cc(c1)SC)F 62a_200000210301_100012343907 [0,2,0,0,0,0|0,1,0]=3 5324 B12R1.41 CCOc1cc(cc(c1)S[13CH3])F 62a_100012343907_200025704644 [0,2,0,0,0,0|0,1,0]=3 5325 B12R1.41 CCOc1cc(cc(c1)S[13CH3])F 62a_200025704644_100012343907 [0,2,0,0,0,0|0,1,0]=3 5326 B12R1.41 CCSc1cc(cc(c1)CC)N 62a_100000210202_100010074814 [0,2,0,0,0,0|1,1,0]=4 5327 B12R1.41 CCSc1cc(cc(c1)CC)N 62a_100010074814_100000210202 [0,2,0,0,0,0|1,1,0]=4 5328 B12R1.41 CCSc1cc(cc(c1)NC)F 62a_100000210202_106741647397 [0,2,0,0,0,0|1,1,0]=4 5329 B12R1.41 CCSc1cc(cc(c1)NC)F 62a_106741647397_100000210202 [0,2,0,0,0,0|1,1,0]=4 5330 B12R1.41 CCSc1cc(cc(c1)OC)Br 62a_100000210202_100010141301 [0,2,0,0,0,0|0,1,0]=3 5331 B12R1.41 CCSc1cc(cc(c1)OC)Br 62a_100010141301_100000210202 [0,2,0,0,0,0|0,1,0]=3 5332 B12R1.41 CCSc1cc(cc(c1)OC)C 62a_100000210202_100010187550 [0,2,0,0,0,0|0,1,0]=3 5333 B12R1.41 CCSc1cc(cc(c1)OC)Cl 62a_100000210202_100010147680 [0,2,0,0,0,0|0,1,0]=3 5334 B12R1.41 CCSc1cc(cc(c1)OC)Cl 62a_100010147680_100000210202 [0,2,0,0,0,0|0,1,0]=3 5335 B12R1.41 CCSc1cc(cc(c1)OC)F 62a_100000210202_100011934182 [0,2,0,0,0,0|0,1,0]=3 5336 B12R1.41 CCSc1cc(cc(c1)OC)F 62a_100011934182_100000210202 [0,2,0,0,0,0|0,1,0]=3 5337 B12R1.41 CCSc1cc(cc(c1)OC)N 62a_100000210202_100000750983 [0,2,0,0,0,0|0,1,0]=3 5338 B12R1.41 CCSc1cc(cc(c1)OC)N 62a_100000750983_100000210202 [0,2,0,0,0,0|0,1,0]=3 5339 B12R1.41 CCSc1cc(cc(c1)OC)O 62a_100000210202_100010068927 [0,2,0,0,0,0|0,1,0]=3 5340 B12R1.41 CCSc1cc(cc(c1)SC)C 62a_100000210202_200010709730 [0,2,0,0,0,0|0,2,0]=4 5341 B12R1.41 CCSc1cc(cc(c1)SC)C 62a_200010709730_100000210202 [0,2,0,0,0,0|0,2,0]=4 5342 B12R1.41 CCSc1cc(cc(c1)SC)F 62a_100000210202_200010245467 [0,2,0,0,0,0|0,2,0]=4 5343 B12R1.41 CCSc1cc(cc(c1)SC)F 62a_200010245467_100000210202 [0,2,0,0,0,0|0,2,0]=4 5344 B12R1.41 CCSc1cc(cc(n1)C)OC 62a_100000210202_200009849800 [0,2,0,0,0,0|1,1,0]=4 5345 B12R1.41 CCSc1cc(cc(n1)C)OC 62a_200009849800_100000210202 [0,2,0,0,0,0|1,1,0]=4 5346 B12R1.41 CCSc1cc(cc(n1)N)OC 62a_100000210202_100010257270 [0,2,0,0,0,0|1,1,0]=4 5347 B12R1.41 CCSc1cc(cc(n1)N)OC 62a_100010257270_100000210202 [0,2,0,0,0,0|1,1,0]=4 5348 B12R1.41 CCSc1cc(cc(n1)OC)C 62a_100000210202_100009856763 [0,2,0,0,0,0|1,1,0]=4 5349 B12R1.41 CCSc1cc(cc(n1)OC)C 62a_100009856763_100000210202 [0,2,0,0,0,0|1,1,0]=4 5350 B12R1.41 CCSc1cc(cc(n1)OC)N 62a_100000210202_100012187057 [0,2,0,0,0,0|1,1,0]=4 5351 B12R1.41 CCSc1cc(cc(n1)OC)N 62a_100012187057_100000210202 [0,2,0,0,0,0|1,1,0]=4 5352 B12R1.41 CCSc1cc(nc(c1)OC)C 62a_100000210202_100010067692 [0,2,0,0,0,0|1,1,0]=4 5353 B12R1.41 CCSc1cc(nc(c1)OC)C 62a_100010067692_100000210202 [0,2,0,0,0,0|1,1,0]=4 5354 B12R1.41 CCSc1cc(nc(c1)OC)N 62a_100000210202_100010136845 [0,2,0,0,0,0|1,1,0]=4 5355 B12R1.41 CCSc1cc(nc(c1)OC)N 62a_100010136845_100000210202 [0,2,0,0,0,0|1,1,0]=4 5356 B12R1.41 CCc1cc(cc(c1)NCF)Br 34a_100010074814_100015361967 [0,2,0,0,0,0|2,0,0]=4 5357 B12R1.41 CCc1cc(cc(c1)NCF)Br 7a_100010074814_100015361967 [0,2,0,0,0,0|2,0,0]=4 5358 B12R1.41 CCc1cc(cc(c1)NCF)C 34a_100012022893_100015361967 [0,2,0,0,0,0|2,0,0]=4 5359 B12R1.41 CCc1cc(cc(c1)NCF)C 7a_100012022893_100015361967 [0,2,0,0,0,0|2,0,0]=4 5360 B12R1.41 CCc1cc(cc(c1)SCF)N 62a_100010074814_100015361967 [0,2,0,0,0,0|1,1,0]=4 5361 B12R1.41 CCc1cc(cc(c1)SCF)N 62a_100015361967_100010074814 [0,2,0,0,0,0|1,1,0]=4 5362 B12R1.41 CNCc1cc(cc(c1)OC)Br 207a_100102657272_100009816777 [0,2,0,0,0,0|1,0,0]=3 5363 B12R1.41 CNCc1cc(cc(c1)OC)Br 2230a_106832991635_100010162483 [0,2,0,0,0,0|1,0,0]=3 5364 B12R1.41 CNCc1cc(cc(c1)OC)Br 269862a_106832991636_100009816777 [0,2,0,0,0,0|1,0,0]=3 5365 B12R1.41 CNCc1cc(cc(c1)OC)Br 26a_100102657272_100010068927 [0,2,0,0,0,0|1,0,0]=3 5366 B12R1.41 CNCc1cc(cc(c1)OC)Br 270004a_106832991635_100009816777 [0,2,0,0,0,0|1,0,0]=3 5367 B12R1.41 CNCc1cc(cc(c1)OC)Br 34a_100102657272_100010162483 [0,2,0,0,0,0|1,0,0]=3 5368 B12R1.41 CNCc1cc(cc(c1)OC)Br 7a_106832991635_100010162483 [0,2,0,0,0,0|1,0,0]=3 5369 B12R1.41 CNCc1cc(cc(c1)OC)C 207a_100102657272_100000101404 [0,2,0,0,0,0|1,0,0]=3 5370 B12R1.41 CNCc1cc(cc(c1)OC)C 270004a_106832991635_100000101404 [0,2,0,0,0,0|1,0,0]=3 5371 B12R1.41 CNCc1cc(cc(c1)OC)Cl 207a_100102657272_100000087488 [0,2,0,0,0,0|1,0,0]=3 5372 B12R1.41 CNCc1cc(cc(c1)OC)Cl 2230a_106744500063_200000210301 [0,2,0,0,0,0|1,0,0]=3 5373 B12R1.41 CNCc1cc(cc(c1)OC)Cl 2230a_106832991635_100010188059 [0,2,0,0,0,0|1,0,0]=3 5374 B12R1.41 CNCc1cc(cc(c1)OC)Cl 26a_100102657272_100000051430 [0,2,0,0,0,0|1,0,0]=3 5375 B12R1.41 CNCc1cc(cc(c1)OC)Cl 270004a_106832991635_100000087488 [0,2,0,0,0,0|1,0,0]=3 5376 B12R1.41 CNCc1cc(cc(c1)OC)Cl 34a_100102657272_100010188059 [0,2,0,0,0,0|1,0,0]=3 5377 B12R1.41 CNCc1cc(cc(c1)OC)Cl 34a_106744500063_200000210301 [0,2,0,0,0,0|1,0,0]=3 5378 B12R1.41 CNCc1cc(cc(c1)OC)Cl 7a_106832991635_100010188059 [0,2,0,0,0,0|1,0,0]=3 5379 B12R1.41 CNCc1cc(cc(c1)OC)F 207a_100102657272_100011934815 [0,2,0,0,0,0|1,0,0]=3 5380 B12R1.41 CNCc1cc(cc(c1)OC)F 2230a_100000696013_200000210301 [0,2,0,0,0,0|1,0,0]=3 5381 B12R1.41 CNCc1cc(cc(c1)OC)F 2230a_106832991635_100011934817 [0,2,0,0,0,0|1,0,0]=3 5382 B12R1.41 CNCc1cc(cc(c1)OC)F 270004a_106832991635_100011934815 [0,2,0,0,0,0|1,0,0]=3 5383 B12R1.41 CNCc1cc(cc(c1)OC)F 34a_100000696013_200000210301 [0,2,0,0,0,0|1,0,0]=3 5384 B12R1.41 CNCc1cc(cc(c1)OC)F 34a_100102657272_100011934817 [0,2,0,0,0,0|1,0,0]=3 5385 B12R1.41 CNCc1cc(cc(c1)OC)F 7a_106832991635_100011934817 [0,2,0,0,0,0|1,0,0]=3 5386 B12R1.41 CNCc1cc(cc(c1)OC)O 207a_100102657272_100009856911 [0,2,0,0,0,0|1,0,0]=3 5387 B12R1.41 CNCc1cc(cc(c1)OC)O 270004a_106832991635_100009856911 [0,2,0,0,0,0|1,0,0]=3 5388 B12R1.41 CNCc1cc(cc(c1)SC)C 207a_100102657272_200010986840 [0,2,0,0,0,0|1,1,0]=4 5389 B12R1.41 CNCc1cc(cc(c1)SC)C 269862a_106832991636_200010986840 [0,2,0,0,0,0|1,1,0]=4 5390 B12R1.41 CNCc1cc(cc(c1)SC)C 270004a_106832991635_200010986840 [0,2,0,0,0,0|1,1,0]=4 5391 B12R1.41 CNCc1cc(cc(n1)Cl)OC 270004a_106832991635_200009844316 [0,2,0,0,0,0|2,0,0]=4 5392 B12R1.41 CNCc1cc(nc(c1)OC)C 2230a_106832991635_200012183585 [0,2,0,0,0,0|2,0,0]=4 5393 B12R1.41 CNCc1cc(nc(c1)OC)C 34a_100102657272_200012183585 [0,2,0,0,0,0|2,0,0]=4 5394 B12R1.41 CNCc1cc(nc(c1)OC)C 7a_106832991635_200012183585 [0,2,0,0,0,0|2,0,0]=4 5395 B12R1.41 CNCc1cc(nc(c1)OC)Cl 2230a_100009841630_200000210301 [0,2,0,0,0,0|2,0,0]=4 5396 B12R1.41 CNc1cc(cc(c1)SCF)F 62a_100015361967_106741647397 [0,2,0,0,0,0|1,1,0]=4 5397 B12R1.41 CNc1cc(cc(c1)SCF)F 62a_106741647397_100015361967 [0,2,0,0,0,0|1,1,0]=4 5398 B12R1.41 COCc1cc(cc(c1)C#N)Br 34a_100138415774_100010204237 [0,2,0,0,0,0|2,0,0]=4 5399 B12R1.41 COCc1cc(cc(c1)C#N)Cl 34a_100009878227_200000210301 [0,2,0,0,0,0|2,0,0]=4 5400 B12R1.41 COCc1cc(cc(c1)C#N)Cl 7a_100009878227_200000210301 [0,2,0,0,0,0|2,0,0]=4 5401 B12R1.41 COCc1cc(cc(c1)C#N)F 34a_100138415774_100012349702 [0,2,0,0,0,0|2,0,0]=4 5402 B12R1.41 COCc1cc(cc(c1)OC)Br 34a_100009995317_200000210301 [0,2,0,0,0,0|0,0,0]=2 5403 B12R1.41 COCc1cc(cc(c1)OC)Br 34a_100138415774_100010162483 [0,2,0,0,0,0|0,0,0]=2 5404 B12R1.41 COCc1cc(cc(c1)OC)Br 7a_100009995317_200000210301 [0,2,0,0,0,0|0,0,0]=2 5405 B12R1.41 COCc1cc(cc(c1)OC)C 34a_100009863105_200000210301 [0,2,0,0,0,0|0,0,0]=2 5406 B12R1.41 COCc1cc(cc(c1)OC)C 7a_100009863105_200000210301 [0,2,0,0,0,0|0,0,0]=2 5407 B12R1.41 COCc1cc(cc(c1)OC)Cl 34a_100000087487_200000210301 [0,2,0,0,0,0|0,0,0]=2 5408 B12R1.41 COCc1cc(cc(c1)OC)Cl 34a_100138415774_100010188059 [0,2,0,0,0,0|0,0,0]=2 5409 B12R1.41 COCc1cc(cc(c1)OC)Cl 7a_100000087487_200000210301 [0,2,0,0,0,0|0,0,0]=2 5410 B12R1.41 COCc1cc(cc(c1)OC)F 34a_100011934816_200000210301 [0,2,0,0,0,0|0,0,0]=2 5411 B12R1.41 COCc1cc(cc(c1)OC)F 34a_100138415774_100011934817 [0,2,0,0,0,0|0,0,0]=2 5412 B12R1.41 COCc1cc(cc(c1)OC)F 7a_100011934816_200000210301 [0,2,0,0,0,0|0,0,0]=2 5413 B12R1.41 COCc1cc(cc(c1)OC)N 34a_100012182899_200000210301 [0,2,0,0,0,0|0,0,0]=2 5414 B12R1.41 COCc1cc(cc(c1)SC)F 62a_100012630430_200000210301 [0,2,0,0,0,0|0,1,0]=3 5415 B12R1.41 COCc1cc(cc(c1)SC)F 62a_200000210301_100012630430 [0,2,0,0,0,0|0,1,0]=3 5416 B12R1.41 COCc1cc(cc(c1)S[13CH3])F 62a_100012630430_200025704644 [0,2,0,0,0,0|0,1,0]=3 5417 B12R1.41 COCc1cc(cc(c1)S[13CH3])F 62a_200025704644_100012630430 [0,2,0,0,0,0|0,1,0]=3 5418 B12R1.41 COCc1cc(nc(c1)OC)C 34a_100138415774_200012183585 [0,2,0,0,0,0|1,0,0]=3 5419 B12R1.41 COc1cc(cc(c1)CC#N)O 271570a_203496583355_100010146821 [0,2,0,0,0,0|1,0,1]=4 5420 B12R1.41 COc1cc(cc(c1)CN[13CH3])Cl 2230a_106744500063_200025704644 [0,2,0,0,0,0|1,0,0]=3 5421 B12R1.41 COc1cc(cc(c1)CN[13CH3])Cl 34a_106744500063_200025704644 [0,2,0,0,0,0|1,0,0]=3 5422 B12R1.41 COc1cc(cc(c1)CN[13CH3])F 2230a_100000696013_200025704644 [0,2,0,0,0,0|1,0,0]=3 5423 B12R1.41 COc1cc(cc(c1)CN[13CH3])F 34a_100000696013_200025704644 [0,2,0,0,0,0|1,0,0]=3 5424 B12R1.41 COc1cc(cc(c1)CO[13CH3])Br 34a_100009995317_200025704644 [0,2,0,0,0,0|0,0,0]=2 5425 B12R1.41 COc1cc(cc(c1)CO[13CH3])Br 7a_100009995317_200025704644 [0,2,0,0,0,0|0,0,0]=2 5426 B12R1.41 COc1cc(cc(c1)CO[13CH3])C 34a_100009863105_200025704644 [0,2,0,0,0,0|0,0,0]=2 5427 B12R1.41 COc1cc(cc(c1)CO[13CH3])C 7a_100009863105_200025704644 [0,2,0,0,0,0|0,0,0]=2 5428 B12R1.41 COc1cc(cc(c1)CO[13CH3])Cl 34a_100000087487_200025704644 [0,2,0,0,0,0|0,0,0]=2 5429 B12R1.41 COc1cc(cc(c1)CO[13CH3])Cl 7a_100000087487_200025704644 [0,2,0,0,0,0|0,0,0]=2 5430 B12R1.41 COc1cc(cc(c1)CO[13CH3])F 34a_100011934816_200025704644 [0,2,0,0,0,0|0,0,0]=2 5431 B12R1.41 COc1cc(cc(c1)CO[13CH3])F 7a_100011934816_200025704644 [0,2,0,0,0,0|0,0,0]=2 5432 B12R1.41 COc1cc(cc(c1)CO[13CH3])N 34a_100012182899_200025704644 [0,2,0,0,0,0|0,0,0]=2 5433 B12R1.41 COc1cc(cc(c1)CSC)Br 62a_100010162483_200000210301 [0,2,0,0,0,0|0,1,0]=3 5434 B12R1.41 COc1cc(cc(c1)CSC)Br 62a_200000210301_100010162483 [0,2,0,0,0,0|0,1,0]=3 5435 B12R1.41 COc1cc(cc(c1)CSC)Cl 62a_100010188059_200000210301 [0,2,0,0,0,0|0,1,0]=3 5436 B12R1.41 COc1cc(cc(c1)CSC)Cl 62a_200000210301_100010188059 [0,2,0,0,0,0|0,1,0]=3 5437 B12R1.41 COc1cc(cc(c1)CSC)F 62a_100011934817_200000210301 [0,2,0,0,0,0|0,1,0]=3 5438 B12R1.41 COc1cc(cc(c1)CSC)F 62a_200000210301_100011934817 [0,2,0,0,0,0|0,1,0]=3 5439 B12R1.41 COc1cc(cc(c1)CS[13CH3])Br 62a_100010162483_200025704644 [0,2,0,0,0,0|0,1,0]=3 5440 B12R1.41 COc1cc(cc(c1)CS[13CH3])Br 62a_200025704644_100010162483 [0,2,0,0,0,0|0,1,0]=3 5441 B12R1.41 COc1cc(cc(c1)CS[13CH3])Cl 62a_100010188059_200025704644 [0,2,0,0,0,0|0,1,0]=3 5442 B12R1.41 COc1cc(cc(c1)CS[13CH3])Cl 62a_200025704644_100010188059 [0,2,0,0,0,0|0,1,0]=3 5443 B12R1.41 COc1cc(cc(c1)CS[13CH3])F 62a_100011934817_200025704644 [0,2,0,0,0,0|0,1,0]=3 5444 B12R1.41 COc1cc(cc(c1)CS[13CH3])F 62a_200025704644_100011934817 [0,2,0,0,0,0|0,1,0]=3 5445 B12R1.41 COc1cc(cc(c1)NCF)Br 34a_100000750983_100015361967 [0,2,0,0,0,0|1,0,0]=3 5446 B12R1.41 COc1cc(cc(c1)NCF)Br 7a_100000750983_100015361967 [0,2,0,0,0,0|1,0,0]=3 5447 B12R1.41 COc1cc(cc(c1)NCF)C 34a_100012001870_100015361967 [0,2,0,0,0,0|1,0,0]=3 5448 B12R1.41 COc1cc(cc(c1)NCF)C 7a_100012001870_100015361967 [0,2,0,0,0,0|1,0,0]=3 5449 B12R1.41 COc1cc(cc(c1)NCF)Cl 34a_100000051436_100015361967 [0,2,0,0,0,0|1,0,0]=3 5450 B12R1.41 COc1cc(cc(c1)NCF)Cl 7a_100000051436_100015361967 [0,2,0,0,0,0|1,0,0]=3 5451 B12R1.41 COc1cc(cc(c1)NCF)F 34a_100000687699_100015361967 [0,2,0,0,0,0|1,0,0]=3 5452 B12R1.41 COc1cc(cc(c1)NCF)F 7a_100000687699_100015361967 [0,2,0,0,0,0|1,0,0]=3 5453 B12R1.41 COc1cc(cc(c1)NCF)O 34a_200000692186_100015361967 [0,2,0,0,0,0|1,0,0]=3 5454 B12R1.41 COc1cc(cc(c1)OCF)Br 34a_100010068927_100015361967 [0,2,0,0,0,0|0,0,0]=2 5455 B12R1.41 COc1cc(cc(c1)OCF)Br 7a_100010068927_100015361967 [0,2,0,0,0,0|0,0,0]=2 5456 B12R1.41 COc1cc(cc(c1)OCF)C 34a_100011216608_100015361967 [0,2,0,0,0,0|0,0,0]=2 5457 B12R1.41 COc1cc(cc(c1)OCF)C 7a_100011216608_100015361967 [0,2,0,0,0,0|0,0,0]=2 5458 B12R1.41 COc1cc(cc(c1)OCF)Cl 34a_100000051430_100015361967 [0,2,0,0,0,0|0,0,0]=2 5459 B12R1.41 COc1cc(cc(c1)OCF)Cl 7a_100000051430_100015361967 [0,2,0,0,0,0|0,0,0]=2 5460 B12R1.41 COc1cc(cc(c1)OCF)F 34a_100011369910_100015361967 [0,2,0,0,0,0|0,0,0]=2 5461 B12R1.41 COc1cc(cc(c1)OCF)F 7a_100011369910_100015361967 [0,2,0,0,0,0|0,0,0]=2 5462 B12R1.41 COc1cc(cc(c1)OCF)N 34a_200000692186_100015361967 [0,2,0,0,0,0|0,0,0]=2 5463 B12R1.41 COc1cc(cc(c1)OCF)N 7a_200000692186_100015361967 [0,2,0,0,0,0|0,0,0]=2 5464 B12R1.41 COc1cc(cc(c1)SCF)Br 62a_100010141301_100015361967 [0,2,0,0,0,0|0,1,0]=3 5465 B12R1.41 COc1cc(cc(c1)SCF)Br 62a_100015361967_100010141301 [0,2,0,0,0,0|0,1,0]=3 5466 B12R1.41 COc1cc(cc(c1)SCF)C 62a_100015361967_100010187550 [0,2,0,0,0,0|0,1,0]=3 5467 B12R1.41 COc1cc(cc(c1)SCF)Cl 62a_100010147680_100015361967 [0,2,0,0,0,0|0,1,0]=3 5468 B12R1.41 COc1cc(cc(c1)SCF)Cl 62a_100015361967_100010147680 [0,2,0,0,0,0|0,1,0]=3 5469 B12R1.41 COc1cc(cc(c1)SCF)F 62a_100011934182_100015361967 [0,2,0,0,0,0|0,1,0]=3 5470 B12R1.41 COc1cc(cc(c1)SCF)F 62a_100015361967_100011934182 [0,2,0,0,0,0|0,1,0]=3 5471 B12R1.41 COc1cc(cc(c1)SCF)N 62a_100000750983_100015361967 [0,2,0,0,0,0|0,1,0]=3 5472 B12R1.41 COc1cc(cc(c1)SCF)N 62a_100015361967_100000750983 [0,2,0,0,0,0|0,1,0]=3 5473 B12R1.41 COc1cc(cc(c1)SCF)O 62a_100015361967_100010068927 [0,2,0,0,0,0|0,1,0]=3 5474 B12R1.41 COc1cc(cc(n1)C)CSC 62a_200000210301_200012183585 [0,2,0,0,0,0|1,1,0]=4 5475 B12R1.41 COc1cc(cc(n1)C)CSC 62a_200012183585_200000210301 [0,2,0,0,0,0|1,1,0]=4 5476 B12R1.41 COc1cc(cc(n1)C)CS[13CH3] 62a_200012183585_200025704644 [0,2,0,0,0,0|1,1,0]=4 5477 B12R1.41 COc1cc(cc(n1)C)CS[13CH3] 62a_200025704644_200012183585 [0,2,0,0,0,0|1,1,0]=4 5478 B12R1.41 COc1cc(cc(n1)C)SCF 62a_100010067692_100015361967 [0,2,0,0,0,0|1,1,0]=4 5479 B12R1.41 COc1cc(cc(n1)C)SCF 62a_100015361967_100010067692 [0,2,0,0,0,0|1,1,0]=4 5480 B12R1.41 COc1cc(cc(n1)Cl)CN[13CH3] 2230a_100009841630_200025704644 [0,2,0,0,0,0|2,0,0]=4 5481 B12R1.41 COc1cc(cc(n1)N)SCF 62a_100010136845_100015361967 [0,2,0,0,0,0|1,1,0]=4 5482 B12R1.41 COc1cc(cc(n1)N)SCF 62a_100015361967_100010136845 [0,2,0,0,0,0|1,1,0]=4 5483 B12R1.41 COc1cc(cc(n1)SCF)C 62a_100009856763_100015361967 [0,2,0,0,0,0|1,1,0]=4 5484 B12R1.41 COc1cc(cc(n1)SCF)C 62a_100015361967_100009856763 [0,2,0,0,0,0|1,1,0]=4 5485 B12R1.41 COc1cc(cc(n1)SCF)N 62a_100012187057_100015361967 [0,2,0,0,0,0|1,1,0]=4 5486 B12R1.41 COc1cc(cc(n1)SCF)N 62a_100015361967_100012187057 [0,2,0,0,0,0|1,1,0]=4 5487 B12R1.41 COc1cc(nc(c1)SCF)C 62a_100015361967_200009849800 [0,2,0,0,0,0|1,1,0]=4 5488 B12R1.41 COc1cc(nc(c1)SCF)C 62a_200009849800_100015361967 [0,2,0,0,0,0|1,1,0]=4 5489 B12R1.41 COc1cc(nc(c1)SCF)N 62a_100010257270_100015361967 [0,2,0,0,0,0|1,1,0]=4 5490 B12R1.41 COc1cc(nc(c1)SCF)N 62a_100015361967_100010257270 [0,2,0,0,0,0|1,1,0]=4 5491 B12R1.41 CSc1cc(cc(c1)CCO)F 62a_100012630564_200000210301 [0,2,0,0,0,0|1,1,0]=4 5492 B12R1.41 CSc1cc(cc(c1)CCO)F 62a_200000210301_100012630564 [0,2,0,0,0,0|1,1,0]=4 5493 B12R1.41 CSc1cc(cc(c1)SCF)C 62a_100015361967_200010709730 [0,2,0,0,0,0|0,2,0]=4 5494 B12R1.41 CSc1cc(cc(c1)SCF)C 62a_200010709730_100015361967 [0,2,0,0,0,0|0,2,0]=4 5495 B12R1.41 CSc1cc(cc(c1)SCF)F 62a_100015361967_200010245467 [0,2,0,0,0,0|0,2,0]=4 5496 B12R1.41 CSc1cc(cc(c1)SCF)F 62a_200010245467_100015361967 [0,2,0,0,0,0|0,2,0]=4 5497 B12R1.41 Cc1cc(cc(c1)OCF)C#N 34a_100009849966_100015361967 [0,2,0,0,0,0|2,0,0]=4 5498 B12R1.41 Cc1cc(cc(c1)OCF)C#N 7a_100009849966_100015361967 [0,2,0,0,0,0|2,0,0]=4 5499 B12R1.41 N#Cc1cc(cc(c1)OCF)Br 34a_100012180112_100015361967 [0,2,0,0,0,0|2,0,0]=4 5500 B12R1.41 N#Cc1cc(cc(c1)OCF)Br 7a_100012180112_100015361967 [0,2,0,0,0,0|2,0,0]=4 5501 B12R1.41 N#Cc1cc(cc(c1)OCF)Cl 34a_100000724442_100015361967 [0,2,0,0,0,0|2,0,0]=4 5502 B12R1.41 N#Cc1cc(cc(c1)OCF)Cl 7a_100000724442_100015361967 [0,2,0,0,0,0|2,0,0]=4 5503 B12R1.41 N#Cc1cc(cc(c1)OCF)F 34a_100000732150_100015361967 [0,2,0,0,0,0|2,0,0]=4 5504 B12R1.41 N#Cc1cc(cc(c1)OCF)F 7a_100000732150_100015361967 [0,2,0,0,0,0|2,0,0]=4 5505 B12R1.41 NCc1cc(cc(c1)OCF)Cl 34a_107254831445_100015361967 [0,2,0,0,0,0|2,0,0]=4 5506 B12R1.41 NCc1cc(cc(c1)OCF)F 34a_100160469513_100015361967 [0,2,0,0,0,0|2,0,0]=4 5507 B12R1.41 Nc1cc(cc(c1)OCF)CO 34a_200000124675_100015361967 [0,2,0,0,0,0|2,0,0]=4 5508 B12R1.41 [13CH3]OCc1cc(cc(c1)C#N)Cl 34a_100009878227_200025704644 [0,2,0,0,0,0|2,0,0]=4 5509 B12R1.41 [13CH3]OCc1cc(cc(c1)C#N)Cl 7a_100009878227_200025704644 [0,2,0,0,0,0|2,0,0]=4 5510 B12R1.41 [13CH3]Sc1cc(cc(c1)CCO)F 62a_100012630564_200025704644 [0,2,0,0,0,0|1,1,0]=4 5511 B12R1.41 [13CH3]Sc1cc(cc(c1)CCO)F 62a_200025704644_100012630564 [0,2,0,0,0,0|1,1,0]=4 5512 B12R1.58 C=Cc1cc(cc(c1)CC)CC 271570a_100011290941_100010187588 [0,2,0,0,0,0|2,0,0]=4 5513 B12R1.58 C=Cc1cc(cc(c1)OC)C#N 271570a_100011290941_100011934654 [0,2,0,0,0,0|1,0,1]=4 5514 B12R1.58 C=Cc1cc(cc(c1)OC)C=O 271570a_100011290941_100009816777 [0,2,0,0,0,0|1,0,1]=4 5515 B12R1.58 C=Cc1cc(cc(c1)OC)CO 271570a_100011290941_100009995317 [0,2,0,0,0,0|1,0,1]=4 5516 B12R1.58 C=Cc1cc(cc(c1)OC)OC 271570a_100011290941_100000685218 [0,2,0,0,0,0|0,0,0]=2 5517 B12R1.58 C=Cc1cc(cc(c1)SC)OC 271570a_100011290941_200010709149 [0,2,0,0,0,0|0,1,0]=3 5518 B12R1.58 C=Cc1cc(cc(n1)OC)OC 271570a_100011290941_100010008354 [0,2,0,0,0,0|1,0,0]=3 5519 B12R1.58 C=Cc1cc(nc(n1)OC)OC 271570a_100011290941_100000038909 [0,2,0,0,0,0|2,0,0]=4 5520 B12R1.58 C=Cc1nc(cc(n1)OC)OC 271570a_100011290941_100000758842 [0,2,0,0,0,0|2,0,0]=4 5521 B12R1.58 CCc1cc(cc(c1)SC)CC 62a_100010187588_200000210301 [0,2,0,0,0,0|1,1,0]=4 5522 B12R1.58 CCc1cc(cc(c1)SC)CC 62a_200000210301_100010187588 [0,2,0,0,0,0|1,1,0]=4 5523 B12R1.58 CCc1cc(cc(c1)S[13CH3])CC 62a_100010187588_200025704644 [0,2,0,0,0,0|1,1,0]=4 5524 B12R1.58 CCc1cc(cc(c1)S[13CH3])CC 62a_200025704644_100010187588 [0,2,0,0,0,0|1,1,0]=4 5525 B12R1.58 CNc1cc(cc(c1)OC)C#N 34a_100000125286_200000210301 [0,2,0,0,0,0|1,0,0]=3 5526 B12R1.58 CNc1cc(cc(c1)OC)C#N 7a_100000125286_200000210301 [0,2,0,0,0,0|1,0,0]=3 5527 B12R1.58 CNc1cc(cc(c1)OC)CO 2230a_100012182899_200000210301 [0,2,0,0,0,0|1,0,0]=3 5528 B12R1.58 CNc1cc(cc(c1)OC)CO 34a_100012182899_200000210301 [0,2,0,0,0,0|1,0,0]=3 5529 B12R1.58 CNc1cc(cc(c1)OC)OC 2230a_100000210928_200000210301 [0,2,0,0,0,0|0,0,0]=2 5530 B12R1.58 CNc1cc(cc(c1)OC)OC 34a_100000210928_200000210301 [0,2,0,0,0,0|0,0,0]=2 5531 B12R1.58 CNc1cc(nc(n1)OC)OC 27a_100102657272_100000038909 [0,2,0,0,0,0|2,0,0]=4 5532 B12R1.58 CNc1nc(cc(n1)OC)OC 27a_100102657272_100000758842 [0,2,0,0,0,0|2,0,0]=4 5533 B12R1.58 COc1cc(cc(c1)C#N)C#N 34a_100009840492_200000210301 [0,2,0,0,0,0|2,0,0]=4 5534 B12R1.58 COc1cc(cc(c1)C#N)C#N 7a_100009840492_200000210301 [0,2,0,0,0,0|2,0,0]=4 5535 B12R1.58 COc1cc(cc(c1)CO)CO 34a_200000081895_200000210301 [0,2,0,0,0,0|2,0,0]=4 5536 B12R1.58 COc1cc(cc(c1)CO)CO 7a_200000081895_200000210301 [0,2,0,0,0,0|2,0,0]=4 5537 B12R1.58 COc1cc(cc(c1)N[13CH3])C#N 34a_100000125286_200025704644 [0,2,0,0,0,0|1,0,0]=3 5538 B12R1.58 COc1cc(cc(c1)N[13CH3])C#N 7a_100000125286_200025704644 [0,2,0,0,0,0|1,0,0]=3 5539 B12R1.58 COc1cc(cc(c1)N[13CH3])CO 2230a_100012182899_200025704644 [0,2,0,0,0,0|1,0,0]=3 5540 B12R1.58 COc1cc(cc(c1)N[13CH3])CO 34a_100012182899_200025704644 [0,2,0,0,0,0|1,0,0]=3 5541 B12R1.58 COc1cc(cc(c1)OC)N[13CH3] 2230a_100000210928_200025704644 [0,2,0,0,0,0|0,0,0]=2 5542 B12R1.58 COc1cc(cc(c1)OC)N[13CH3] 34a_100000210928_200025704644 [0,2,0,0,0,0|0,0,0]=2 5543 B12R1.58 COc1cc(cc(c1)OC)OC 34a_100000181322_200000210301 [0,2,0,0,0,0|0,0,0]=2 5544 B12R1.58 COc1cc(cc(c1)OC)OC 7a_100000181322_200000210301 [0,2,0,0,0,0|0,0,0]=2 5545 B12R1.58 COc1cc(cc(c1)O[13CH3])OC 34a_100000181322_200025704644 [0,2,0,0,0,0|0,0,0]=2 5546 B12R1.58 COc1cc(cc(c1)O[13CH3])OC 7a_100000181322_200025704644 [0,2,0,0,0,0|0,0,0]=2 5547 B12R1.58 COc1cc(cc(c1)SC)C#N 62a_200000210301_100011934654 [0,2,0,0,0,0|0,1,0]=3 5548 B12R1.58 COc1cc(cc(c1)SC)C=O 62a_100009816777_200000210301 [0,2,0,0,0,0|0,1,0]=3 5549 B12R1.58 COc1cc(cc(c1)SC)C=O 62a_200000210301_100009816777 [0,2,0,0,0,0|0,1,0]=3 5550 B12R1.58 COc1cc(cc(c1)SC)CO 62a_100009995317_200000210301 [0,2,0,0,0,0|0,1,0]=3 5551 B12R1.58 COc1cc(cc(c1)SC)CO 62a_200000210301_100009995317 [0,2,0,0,0,0|0,1,0]=3 5552 B12R1.58 COc1cc(cc(c1)SC)OC 62a_200000210301_100000685218 [0,2,0,0,0,0|0,0,0]=2 5553 B12R1.58 COc1cc(cc(c1)SC)SC 62a_200000210301_200010709149 [0,2,0,0,0,0|0,1,0]=3 5554 B12R1.58 COc1cc(cc(c1)SC)SC 62a_200010709149_200000210301 [0,2,0,0,0,0|0,1,0]=3 5555 B12R1.58 COc1cc(cc(c1)S[13CH3])C#N 62a_200025704644_100011934654 [0,2,0,0,0,0|0,1,0]=3 5556 B12R1.58 COc1cc(cc(c1)S[13CH3])C=O 62a_100009816777_200025704644 [0,2,0,0,0,0|0,1,0]=3 5557 B12R1.58 COc1cc(cc(c1)S[13CH3])C=O 62a_200025704644_100009816777 [0,2,0,0,0,0|0,1,0]=3 5558 B12R1.58 COc1cc(cc(c1)S[13CH3])CO 62a_100009995317_200025704644 [0,2,0,0,0,0|0,1,0]=3 5559 B12R1.58 COc1cc(cc(c1)S[13CH3])CO 62a_200025704644_100009995317 [0,2,0,0,0,0|0,1,0]=3 5560 B12R1.58 COc1cc(cc(c1)S[13CH3])OC 62a_200025704644_100000685218 [0,2,0,0,0,0|0,0,0]=2 5561 B12R1.58 COc1cc(cc(c1)S[13CH3])SC 62a_200010709149_200025704644 [0,2,0,0,0,0|0,1,0]=3 5562 B12R1.58 COc1cc(cc(c1)S[13CH3])SC 62a_200025704644_200010709149 [0,2,0,0,0,0|0,1,0]=3 5563 B12R1.58 COc1cc(cc(n1)SC)CN 62a_100009841630_200000210301 [0,2,0,0,0,0|1,1,0]=4 5564 B12R1.58 COc1cc(cc(n1)SC)CN 62a_200000210301_100009841630 [0,2,0,0,0,0|1,1,0]=4 5565 B12R1.58 COc1cc(cc(n1)SC)CO 62a_200000090696_200000210301 [0,2,0,0,0,0|1,1,0]=4 5566 B12R1.58 COc1cc(cc(n1)SC)CO 62a_200000210301_200000090696 [0,2,0,0,0,0|1,1,0]=4 5567 B12R1.58 COc1cc(cc(n1)S[13CH3])CN 62a_100009841630_200025704644 [0,2,0,0,0,0|1,1,0]=4 5568 B12R1.58 COc1cc(cc(n1)S[13CH3])CN 62a_200025704644_100009841630 [0,2,0,0,0,0|1,1,0]=4 5569 B12R1.58 COc1cc(cc(n1)S[13CH3])CO 62a_200000090696_200025704644 [0,2,0,0,0,0|1,1,0]=4 5570 B12R1.58 COc1cc(cc(n1)S[13CH3])CO 62a_200025704644_200000090696 [0,2,0,0,0,0|1,1,0]=4 5571 B12R1.58 COc1cc(nc(c1)SC)C=O 62a_200000210301_200009844316 [0,2,0,0,0,0|1,1,0]=4 5572 B12R1.58 COc1cc(nc(c1)SC)C=O 62a_200009844316_200000210301 [0,2,0,0,0,0|1,1,0]=4 5573 B12R1.58 COc1cc(nc(c1)SC)OC 62a_100010008354_200000210301 [0,2,0,0,0,0|1,0,0]=3 5574 B12R1.58 COc1cc(nc(c1)SC)OC 62a_200000210301_100010008354 [0,2,0,0,0,0|1,0,0]=3 5575 B12R1.58 COc1cc(nc(c1)S[13CH3])C=O 62a_200009844316_200025704644 [0,2,0,0,0,0|1,1,0]=4 5576 B12R1.58 COc1cc(nc(c1)S[13CH3])C=O 62a_200025704644_200009844316 [0,2,0,0,0,0|1,1,0]=4 5577 B12R1.58 COc1cc(nc(c1)S[13CH3])OC 62a_100010008354_200025704644 [0,2,0,0,0,0|1,0,0]=3 5578 B12R1.58 COc1cc(nc(c1)S[13CH3])OC 62a_200025704644_100010008354 [0,2,0,0,0,0|1,0,0]=3 5579 B12R1.58 COc1cc(nc(n1)OC)SC 62a_100000038909_200000210301 [0,2,0,0,0,0|2,0,0]=4 5580 B12R1.58 COc1cc(nc(n1)OC)SC 62a_200000210301_100000038909 [0,2,0,0,0,0|2,0,0]=4 5581 B12R1.58 COc1cc(nc(n1)OC)S[13CH3] 62a_100000038909_200025704644 [0,2,0,0,0,0|2,0,0]=4 5582 B12R1.58 COc1cc(nc(n1)OC)S[13CH3] 62a_200025704644_100000038909 [0,2,0,0,0,0|2,0,0]=4 5583 B12R1.58 COc1cc(nc(n1)SC)OC 62a_100000758842_200000210301 [0,2,0,0,0,0|2,0,0]=4 5584 B12R1.58 COc1cc(nc(n1)SC)OC 62a_200000210301_100000758842 [0,2,0,0,0,0|2,0,0]=4 5585 B12R1.58 COc1cc(nc(n1)S[13CH3])OC 62a_100000758842_200025704644 [0,2,0,0,0,0|2,0,0]=4 5586 B12R1.58 COc1cc(nc(n1)S[13CH3])OC 62a_200025704644_100000758842 [0,2,0,0,0,0|2,0,0]=4 5587 B12R1.58 [13CH3]Oc1cc(cc(c1)C#N)C#N 34a_100009840492_200025704644 [0,2,0,0,0,0|2,0,0]=4 5588 B12R1.58 [13CH3]Oc1cc(cc(c1)C#N)C#N 7a_100009840492_200025704644 [0,2,0,0,0,0|2,0,0]=4 5589 B12R1.58 [13CH3]Oc1cc(cc(c1)CO)CO 34a_200000081895_200025704644 [0,2,0,0,0,0|2,0,0]=4 5590 B12R1.58 [13CH3]Oc1cc(cc(c1)CO)CO 7a_200000081895_200025704644 [0,2,0,0,0,0|2,0,0]=4 5591 B12R1.235 C=Cc1cc(cc(c1N)OC)F 271570a_100011290941_100011004115 [0,2,0,0,0,0|1,0,1]=4 5592 B12R1.235 C=Cc1cc(cc(c1O)OC)F 271570a_100011290941_200010391102 [0,2,0,0,0,0|1,0,1]=4 5593 B12R1.235 CCc1cc(cc(c1N)CC)O 271570a_203496583355_100011216614 [0,2,0,0,0,0|2,0,0]=4 5594 B12R1.235 CCc1cc(cc(c1O)CC)Br 271570a_203496583355_100010205833 [0,2,0,0,0,0|2,0,0]=4 5595 B12R1.235 CCc1cc(cc(c1O)CC)C 271570a_203496583355_100010203090 [0,2,0,0,0,0|2,0,0]=4 5596 B12R1.235 CNc1cc(cc(c1N)SC)F 62a_200000210301_200102954750 [0,2,0,0,0,0|1,1,0]=4 5597 B12R1.235 CNc1cc(cc(c1N)SC)F 62a_200102954750_200000210301 [0,2,0,0,0,0|1,1,0]=4 5598 B12R1.235 CNc1cc(cc(c1N)S[13CH3])F 62a_200025704644_200102954750 [0,2,0,0,0,0|1,1,0]=4 5599 B12R1.235 CNc1cc(cc(c1N)S[13CH3])F 62a_200102954750_200025704644 [0,2,0,0,0,0|1,1,0]=4 5600 B12R1.235 COc1cc(cc(c1F)OC)Br 34a_200015524394_200000210301 [0,2,0,0,0,0|0,0,0]=2 5601 B12R1.235 COc1cc(cc(c1F)OC)Br 7a_200015524394_200000210301 [0,2,0,0,0,0|0,0,0]=2 5602 B12R1.235 COc1cc(cc(c1F)OC)O 271570a_203496583355_100015304952 [0,2,0,0,0,0|0,0,0]=2 5603 B12R1.235 COc1cc(cc(c1F)O[13CH3])Br 34a_200015524394_200025704644 [0,2,0,0,0,0|0,0,0]=2 5604 B12R1.235 COc1cc(cc(c1F)O[13CH3])Br 7a_200015524394_200025704644 [0,2,0,0,0,0|0,0,0]=2 5605 B12R1.235 COc1cc(cc(c1N)C#N)O 271570a_203496583355_200010734157 [0,2,0,0,0,0|2,0,0]=4 5606 B12R1.235 COc1cc(cc(c1N)CO)O 271570a_203496583355_100010235085 [0,2,0,0,0,0|2,0,0]=4 5607 B12R1.235 COc1cc(cc(c1N)SC)F 62a_100011004115_200000210301 [0,2,0,0,0,0|0,1,0]=3 5608 B12R1.235 COc1cc(cc(c1N)SC)F 62a_200000210301_100011004115 [0,2,0,0,0,0|0,1,0]=3 5609 B12R1.235 COc1cc(cc(c1N)S[13CH3])F 62a_100011004115_200025704644 [0,2,0,0,0,0|0,1,0]=3 5610 B12R1.235 COc1cc(cc(c1N)S[13CH3])F 62a_200025704644_100011004115 [0,2,0,0,0,0|0,1,0]=3 5611 B12R1.235 COc1cc(cc(c1O)CO)O 271570a_203496583355_100000185604 [0,2,0,0,0,0|2,0,0]=4 5612 B12R1.235 COc1cc(cc(c1O)OC)O 271570a_203496583355_100000691893 [0,2,0,0,0,0|0,0,0]=2 5613 B12R1.235 COc1cc(cc(c1O)SC)F 62a_200000210301_200010391102 [0,2,0,0,0,0|0,1,0]=3 5614 B12R1.235 COc1cc(cc(c1O)S[13CH3])F 62a_200025704644_200010391102 [0,2,0,0,0,0|0,1,0]=3 5615 B12R1.235 COc1nc(nc(c1N)OC)O 271570a_203496583355_100000095612 [0,2,0,0,0,0|2,0,0]=4 5616 B12R1.235 COc1nc(nc(c1O)OC)C 271570a_203496583355_100010893122 [0,2,0,0,0,0|2,0,0]=4 5617 B12R1.300 C=Cc1cc(c(c(c1)OC)F)C 271570a_100011290941_100010271686 [0,2,0,0,0,0|1,0,1]=4 5618 B12R1.300 C=Cc1cc(c(c(c1)OC)F)F 271570a_100011290941_100011218012 [0,2,0,0,0,0|1,0,1]=4 5619 B12R1.300 C=Cc1cc(c(c(c1)OC)F)O 271570a_100011290941_200015524394 [0,2,0,0,0,0|1,0,1]=4 5620 B12R1.300 C=Cc1cc(c(c(c1)OC)N)C 271570a_100011290941_100000741850 [0,2,0,0,0,0|1,0,1]=4 5621 B12R1.300 C=Cc1cc(cc(c1N)C)OC 271570a_100011290941_200011010636 [0,2,0,0,0,0|1,0,1]=4 5622 B12R1.300 C=Cc1cc(cc(c1N)N)OC 271570a_100011290941_100010194281 [0,2,0,0,0,0|1,0,1]=4 5623 B12R1.300 C=Cc1cc(cc(c1O)N)OC 271570a_100011290941_200010008348 [0,2,0,0,0,0|1,0,1]=4 5624 B12R1.300 CCc1cc(cc(c1N)C)SC 62a_200000186424_200000210301 [0,2,0,0,0,0|1,1,0]=4 5625 B12R1.300 CCc1cc(cc(c1N)C)SC 62a_200000210301_200000186424 [0,2,0,0,0,0|1,1,0]=4 5626 B12R1.300 CCc1cc(cc(c1N)C)S[13CH3] 62a_200000186424_200025704644 [0,2,0,0,0,0|1,1,0]=4 5627 B12R1.300 CCc1cc(cc(c1N)C)S[13CH3] 62a_200025704644_200000186424 [0,2,0,0,0,0|1,1,0]=4 5628 B12R1.300 CCc1cc(cc(c1O)C)SC 62a_200000210301_100010659108 [0,2,0,0,0,0|1,1,0]=4 5629 B12R1.300 CCc1cc(cc(c1O)C)S[13CH3] 62a_200025704644_100010659108 [0,2,0,0,0,0|1,1,0]=4 5630 B12R1.300 CNc1cc(c(c(c1)OC)Cl)Br 2230a_100010131419_200000210301 [0,2,0,0,0,0|1,0,0]=3 5631 B12R1.300 CNc1cc(c(c(c1)OC)Cl)Br 34a_100010131419_200000210301 [0,2,0,0,0,0|1,0,0]=3 5632 B12R1.300 CNc1cc(c(c(c1)OC)Cl)Br 7a_100010131419_200000210301 [0,2,0,0,0,0|1,0,0]=3 5633 B12R1.300 CNc1cc(cc(c1O)Br)OC 34a_200010008348_200000210301 [0,2,0,0,0,0|1,0,0]=3 5634 B12R1.300 COc1cc(c(c(c1)C=O)O)O 271570a_203496583355_100000751510 [0,2,0,0,0,0|2,0,0]=4 5635 B12R1.300 COc1cc(c(c(c1)N[13CH3])O)Br 34a_200010008348_200025704644 [0,2,0,0,0,0|1,0,0]=3 5636 B12R1.300 COc1cc(c(c(c1)OC)O)F 271570a_203496583355_200009812871 [0,2,0,0,0,0|0,0,0]=2 5637 B12R1.300 COc1cc(c(c(c1)SC)N)C 62a_200000210301_200011010636 [0,2,0,0,0,0|0,1,0]=3 5638 B12R1.300 COc1cc(c(c(c1)SC)N)C 62a_200011010636_200000210301 [0,2,0,0,0,0|0,1,0]=3 5639 B12R1.300 COc1cc(c(c(c1)SC)N)N 62a_100010194281_200000210301 [0,2,0,0,0,0|0,1,0]=3 5640 B12R1.300 COc1cc(c(c(c1)SC)O)N 62a_200000210301_200010008348 [0,2,0,0,0,0|0,1,0]=3 5641 B12R1.300 COc1cc(c(c(c1)S[13CH3])N)C 62a_200011010636_200025704644 [0,2,0,0,0,0|0,1,0]=3 5642 B12R1.300 COc1cc(c(c(c1)S[13CH3])N)C 62a_200025704644_200011010636 [0,2,0,0,0,0|0,1,0]=3 5643 B12R1.300 COc1cc(c(c(c1)S[13CH3])N)N 62a_100010194281_200025704644 [0,2,0,0,0,0|0,1,0]=3 5644 B12R1.300 COc1cc(c(c(c1)S[13CH3])O)N 62a_200025704644_200010008348 [0,2,0,0,0,0|0,1,0]=3 5645 B12R1.300 COc1cc(cc(c1Cl)Br)N[13CH3] 2230a_100010131419_200025704644 [0,2,0,0,0,0|1,0,0]=3 5646 B12R1.300 COc1cc(cc(c1Cl)Br)N[13CH3] 34a_100010131419_200025704644 [0,2,0,0,0,0|1,0,0]=3 5647 B12R1.300 COc1cc(cc(c1Cl)Br)N[13CH3] 7a_100010131419_200025704644 [0,2,0,0,0,0|1,0,0]=3 5648 B12R1.300 COc1cc(cc(c1F)C)SC 62a_100010271686_200000210301 [0,2,0,0,0,0|0,1,0]=3 5649 B12R1.300 COc1cc(cc(c1F)C)SC 62a_200000210301_100010271686 [0,2,0,0,0,0|0,1,0]=3 5650 B12R1.300 COc1cc(cc(c1F)C)S[13CH3] 62a_100010271686_200025704644 [0,2,0,0,0,0|0,1,0]=3 5651 B12R1.300 COc1cc(cc(c1F)C)S[13CH3] 62a_200025704644_100010271686 [0,2,0,0,0,0|0,1,0]=3 5652 B12R1.300 COc1cc(cc(c1F)F)SC 62a_100011218012_200000210301 [0,2,0,0,0,0|0,1,0]=3 5653 B12R1.300 COc1cc(cc(c1F)F)SC 62a_200000210301_100011218012 [0,2,0,0,0,0|0,1,0]=3 5654 B12R1.300 COc1cc(cc(c1F)F)S[13CH3] 62a_100011218012_200025704644 [0,2,0,0,0,0|0,1,0]=3 5655 B12R1.300 COc1cc(cc(c1F)F)S[13CH3] 62a_200025704644_100011218012 [0,2,0,0,0,0|0,1,0]=3 5656 B12R1.300 COc1cc(cc(c1F)O)SC 62a_200000210301_200015524394 [0,2,0,0,0,0|0,1,0]=3 5657 B12R1.300 COc1cc(cc(c1F)O)SC 62a_200015524394_200000210301 [0,2,0,0,0,0|0,1,0]=3 5658 B12R1.300 COc1cc(cc(c1F)O)S[13CH3] 62a_200015524394_200025704644 [0,2,0,0,0,0|0,1,0]=3 5659 B12R1.300 COc1cc(cc(c1F)O)S[13CH3] 62a_200025704644_200015524394 [0,2,0,0,0,0|0,1,0]=3 5660 B12R1.300 COc1cc(cc(c1N)C)SC 62a_100000741850_200000210301 [0,2,0,0,0,0|0,1,0]=3 5661 B12R1.300 COc1cc(cc(c1N)C)SC 62a_200000210301_100000741850 [0,2,0,0,0,0|0,1,0]=3 5662 B12R1.300 COc1cc(cc(c1N)C)S[13CH3] 62a_100000741850_200025704644 [0,2,0,0,0,0|0,1,0]=3 5663 B12R1.300 COc1cc(cc(c1N)C)S[13CH3] 62a_200025704644_100000741850 [0,2,0,0,0,0|0,1,0]=3 5664 B12R1.300 COc1cc(cc(c1O)O)C#N 271570a_203496583355_100000188612 [0,2,0,0,0,0|2,0,0]=4 5665 B12R1.300 COc1cc(cc(c1O)O)C=O 271570a_203496583355_100000184534 [0,2,0,0,0,0|2,0,0]=4 5666 B12R1.300 COc1cc(cc(c1O)O)CO 271570a_203496583355_200000022573 [0,2,0,0,0,0|2,0,0]=4 5667 B12R1.300 COc1cc(cc(c1O)O)SC 62a_200000210301_200159242197 [0,2,0,0,0,0|0,1,0]=3 5668 B12R1.300 COc1cc(cc(c1O)O)S[13CH3] 62a_200025704644_200159242197 [0,2,0,0,0,0|0,1,0]=3 5669 B12R1.270 C=C=Cc1cc(ccc1Br)OC 271570a_100015277604_100009992028 [0,2,0,0,0,0|1,0,1]=4 5670 B12R1.270 C=C=Cc1cc(ccc1C)OC 271570a_100015277604_100012349166 [0,2,0,0,0,0|1,0,1]=4 5671 B12R1.270 C=C=Cc1cc(ccc1Cl)OC 271570a_100015277604_100011356938 [0,2,0,0,0,0|1,0,1]=4 5672 B12R1.270 C=C=Cc1cc(ccc1F)OC 271570a_100015277604_100000699733 [0,2,0,0,0,0|1,0,1]=4 5673 B12R1.270 C=C=Cc1cc(ccc1N)OC 271570a_100015277604_100015195136 [0,2,0,0,0,0|1,0,1]=4 5674 B12R1.270 C=C=Cc1cc(ccc1O)OC 271570a_100015277604_100000685887 [0,2,0,0,0,0|1,0,1]=4 5675 B12R1.270 C=Cc1ccc(c(c1)COC)Br 271570a_100011290941_202125822959 [0,2,0,0,0,0|1,0,1]=4 5676 B12R1.270 C=Cc1ccc(c(c1)COC)F 271570a_100011290941_100010140362 [0,2,0,0,0,0|1,0,1]=4 5677 B12R1.270 C=Cc1ccc(c(c1)OCC)C 271570a_100011290941_100012361169 [0,2,0,0,0,0|1,0,1]=4 5678 B12R1.270 C=Cc1ccc(c(c1)OCC)F 271570a_100011290941_200012344967 [0,2,0,0,0,0|1,0,1]=4 5679 B12R1.270 C=Cc1ccc(c(c1)OCC)N 271570a_100011290941_100000688918 [0,2,0,0,0,0|1,0,1]=4 5680 B12R1.270 CC=Cc1cc(ccc1Br)OC 271570a_100016259895_100009992028 [0,2,0,0,0,0|1,0,0]=3 5681 B12R1.270 CC=Cc1cc(ccc1C)NC 271570a_100016259895_100000707694 [0,2,0,0,0,0|2,0,0]=4 5682 B12R1.270 CC=Cc1cc(ccc1C)OC 271570a_100016259895_100012349166 [0,2,0,0,0,0|1,0,0]=3 5683 B12R1.270 CC=Cc1cc(ccc1Cl)OC 271570a_100016259895_100011356938 [0,2,0,0,0,0|1,0,0]=3 5684 B12R1.270 CC=Cc1cc(ccc1F)CC 271570a_100016259895_200010244628 [0,2,0,0,0,0|2,0,0]=4 5685 B12R1.270 CC=Cc1cc(ccc1F)OC 271570a_100016259895_100000699733 [0,2,0,0,0,0|1,0,0]=3 5686 B12R1.270 CC=Cc1cc(ccc1F)SC 271570a_100016259895_200010708804 [0,2,0,0,0,0|1,1,0]=4 5687 B12R1.270 CC=Cc1cc(ccc1N)CC 271570a_100016259895_100012339725 [0,2,0,0,0,0|2,0,0]=4 5688 B12R1.270 CC=Cc1cc(ccc1N)OC 271570a_100016259895_100015195136 [0,2,0,0,0,0|1,0,0]=3 5689 B12R1.270 CC=Cc1cc(ccc1O)CC 271570a_100016259895_100012339963 [0,2,0,0,0,0|2,0,0]=4 5690 B12R1.270 CC=Cc1cc(ccc1O)OC 271570a_100016259895_100000685887 [0,2,0,0,0,0|1,0,0]=3 5691 B12R1.270 CC=Cc1cc(cnc1F)OC 271570a_100016259895_100010068374 [0,2,0,0,0,0|2,0,0]=4 5692 B12R1.270 CC=Cc1cc(ncc1C)OC 271570a_100016259895_100010068546 [0,2,0,0,0,0|2,0,0]=4 5693 B12R1.270 CC=Cc1cc(ncc1Cl)OC 271570a_100016259895_100010068019 [0,2,0,0,0,0|2,0,0]=4 5694 B12R1.270 CC=Cc1cc(ncc1F)OC 271570a_100016259895_100010160775 [0,2,0,0,0,0|2,0,0]=4 5695 B12R1.270 CC=Cc1nc(ccc1N)OC 271570a_100016259895_100000069805 [0,2,0,0,0,0|2,0,0]=4 5696 B12R1.270 CCNc1cc(ccc1Br)OC 34a_100000748603_100000210202 [0,2,0,0,0,0|1,0,0]=3 5697 B12R1.270 CCNc1cc(ccc1C)CC 2230a_200012022522_100000210202 [0,2,0,0,0,0|2,0,0]=4 5698 B12R1.270 CCNc1cc(ccc1C)CC 34a_200012022522_100000210202 [0,2,0,0,0,0|2,0,0]=4 5699 B12R1.270 CCNc1cc(ccc1C)CC 7a_200012022522_100000210202 [0,2,0,0,0,0|2,0,0]=4 5700 B12R1.270 CCNc1cc(ccc1C)OC 2230a_100000760359_100000210202 [0,2,0,0,0,0|1,0,0]=3 5701 B12R1.270 CCNc1cc(ccc1C)OC 34a_100000211784_200000210301 [0,2,0,0,0,0|1,0,0]=3 5702 B12R1.270 CCNc1cc(ccc1C)OC 34a_100000760359_100000210202 [0,2,0,0,0,0|1,0,0]=3 5703 B12R1.270 CCNc1cc(ccc1C)OC 7a_100000211784_200000210301 [0,2,0,0,0,0|1,0,0]=3 5704 B12R1.270 CCNc1cc(ccc1C)O[13CH3] 34a_100000211784_200025704644 [0,2,0,0,0,0|1,0,0]=3 5705 B12R1.270 CCNc1cc(ccc1C)O[13CH3] 7a_100000211784_200025704644 [0,2,0,0,0,0|1,0,0]=3 5706 B12R1.270 CCNc1cc(ccc1Cl)OC 34a_100000745576_100000210202 [0,2,0,0,0,0|1,0,0]=3 5707 B12R1.270 CCNc1cc(ccc1F)OC 34a_100000764331_100000210202 [0,2,0,0,0,0|1,0,0]=3 5708 B12R1.270 CCNc1cc(ccc1I)OC 34a_100000748021_100000210202 [0,2,0,0,0,0|1,0,0]=3 5709 B12R1.270 CCNc1cc(ccc1N)SC 62a_100000696630_200000210301 [0,2,0,0,0,0|1,1,0]=4 5710 B12R1.270 CCNc1cc(ccc1N)SC 62a_200000210301_100000696630 [0,2,0,0,0,0|1,1,0]=4 5711 B12R1.270 CCNc1cc(ccc1N)S[13CH3] 62a_100000696630_200025704644 [0,2,0,0,0,0|1,1,0]=4 5712 B12R1.270 CCNc1cc(ccc1N)S[13CH3] 62a_200025704644_100000696630 [0,2,0,0,0,0|1,1,0]=4 5713 B12R1.270 CCNc1cc(ccc1O)CC 34a_100000765835_100000210202 [0,2,0,0,0,0|2,0,0]=4 5714 B12R1.270 CCNc1cc(ccc1O)OC 34a_100000188146_100000210202 [0,2,0,0,0,0|1,0,0]=3 5715 B12R1.270 CCOc1cc(ccc1Br)C#N 34a_100009877741_100000210202 [0,2,0,0,0,0|2,0,0]=4 5716 B12R1.270 CCOc1cc(ccc1Br)C#N 7a_100009877741_100000210202 [0,2,0,0,0,0|2,0,0]=4 5717 B12R1.270 CCOc1cc(ccc1Br)CO 34a_100010191536_100000210202 [0,2,0,0,0,0|2,0,0]=4 5718 B12R1.270 CCOc1cc(ccc1Br)CO 7a_100010191536_100000210202 [0,2,0,0,0,0|2,0,0]=4 5719 B12R1.270 CCOc1cc(ccc1Br)NC 2230a_200016990551_200000210301 [0,2,0,0,0,0|1,0,0]=3 5720 B12R1.270 CCOc1cc(ccc1Br)NC 34a_200016990551_200000210301 [0,2,0,0,0,0|1,0,0]=3 5721 B12R1.270 CCOc1cc(ccc1Br)NC 7a_200016990551_200000210301 [0,2,0,0,0,0|1,0,0]=3 5722 B12R1.270 CCOc1cc(ccc1Br)N[13CH3] 2230a_200016990551_200025704644 [0,2,0,0,0,0|1,0,0]=3 5723 B12R1.270 CCOc1cc(ccc1Br)N[13CH3] 34a_200016990551_200025704644 [0,2,0,0,0,0|1,0,0]=3 5724 B12R1.270 CCOc1cc(ccc1Br)N[13CH3] 7a_200016990551_200025704644 [0,2,0,0,0,0|1,0,0]=3 5725 B12R1.270 CCOc1cc(ccc1Br)OC 34a_100000719091_100000210202 [0,2,0,0,0,0|0,0,0]=2 5726 B12R1.270 CCOc1cc(ccc1Br)OC 7a_100000719091_100000210202 [0,2,0,0,0,0|0,0,0]=2 5727 B12R1.270 CCOc1cc(ccc1C)C#N 34a_100000765541_100000210202 [0,2,0,0,0,0|2,0,0]=4 5728 B12R1.270 CCOc1cc(ccc1C)C#N 7a_100000765541_100000210202 [0,2,0,0,0,0|2,0,0]=4 5729 B12R1.270 CCOc1cc(ccc1C)OC 34a_100012179981_100000210202 [0,2,0,0,0,0|0,0,0]=2 5730 B12R1.270 CCOc1cc(ccc1C)OC 7a_100012179981_100000210202 [0,2,0,0,0,0|0,0,0]=2 5731 B12R1.270 CCOc1cc(ccc1C)SC 62a_100012361169_200000210301 [0,2,0,0,0,0|0,1,0]=3 5732 B12R1.270 CCOc1cc(ccc1C)SC 62a_200000210301_100012361169 [0,2,0,0,0,0|0,1,0]=3 5733 B12R1.270 CCOc1cc(ccc1C)S[13CH3] 62a_100012361169_200025704644 [0,2,0,0,0,0|0,1,0]=3 5734 B12R1.270 CCOc1cc(ccc1C)S[13CH3] 62a_200025704644_100012361169 [0,2,0,0,0,0|0,1,0]=3 5735 B12R1.270 CCOc1cc(ccc1Cl)C#N 34a_100012186312_100000210202 [0,2,0,0,0,0|2,0,0]=4 5736 B12R1.270 CCOc1cc(ccc1Cl)C#N 7a_100012186312_100000210202 [0,2,0,0,0,0|2,0,0]=4 5737 B12R1.270 CCOc1cc(ccc1Cl)CN 34a_100020636435_100000210202 [0,2,0,0,0,0|2,0,0]=4 5738 B12R1.270 CCOc1cc(ccc1Cl)CO 34a_100009876509_100000210202 [0,2,0,0,0,0|2,0,0]=4 5739 B12R1.270 CCOc1cc(ccc1Cl)CO 7a_100009876509_100000210202 [0,2,0,0,0,0|2,0,0]=4 5740 B12R1.270 CCOc1cc(ccc1Cl)NC 2230a_100011964961_200000210301 [0,2,0,0,0,0|1,0,0]=3 5741 B12R1.270 CCOc1cc(ccc1Cl)NC 34a_100011964961_200000210301 [0,2,0,0,0,0|1,0,0]=3 5742 B12R1.270 CCOc1cc(ccc1Cl)N[13CH3] 2230a_100011964961_200025704644 [0,2,0,0,0,0|1,0,0]=3 5743 B12R1.270 CCOc1cc(ccc1Cl)N[13CH3] 34a_100011964961_200025704644 [0,2,0,0,0,0|1,0,0]=3 5744 B12R1.270 CCOc1cc(ccc1Cl)OC 34a_100011516019_100000210202 [0,2,0,0,0,0|0,0,0]=2 5745 B12R1.270 CCOc1cc(ccc1Cl)OC 7a_100011516019_100000210202 [0,2,0,0,0,0|0,0,0]=2 5746 B12R1.270 CCOc1cc(ccc1F)C#N 34a_100000069402_100000210202 [0,2,0,0,0,0|2,0,0]=4 5747 B12R1.270 CCOc1cc(ccc1F)C#N 7a_100000069402_100000210202 [0,2,0,0,0,0|2,0,0]=4 5748 B12R1.270 CCOc1cc(ccc1F)CN 34a_100160469508_100000210202 [0,2,0,0,0,0|2,0,0]=4 5749 B12R1.270 CCOc1cc(ccc1F)CO 34a_100009842347_100000210202 [0,2,0,0,0,0|2,0,0]=4 5750 B12R1.270 CCOc1cc(ccc1F)CO 7a_100009842347_100000210202 [0,2,0,0,0,0|2,0,0]=4 5751 B12R1.270 CCOc1cc(ccc1F)OC 34a_100012178750_100000210202 [0,2,0,0,0,0|0,0,0]=2 5752 B12R1.270 CCOc1cc(ccc1F)OC 7a_100012178750_100000210202 [0,2,0,0,0,0|0,0,0]=2 5753 B12R1.270 CCOc1cc(ccc1F)SC 62a_200000210301_200012344967 [0,2,0,0,0,0|0,1,0]=3 5754 B12R1.270 CCOc1cc(ccc1F)SC 62a_200012344967_200000210301 [0,2,0,0,0,0|0,1,0]=3 5755 B12R1.270 CCOc1cc(ccc1F)S[13CH3] 62a_200012344967_200025704644 [0,2,0,0,0,0|0,1,0]=3 5756 B12R1.270 CCOc1cc(ccc1F)S[13CH3] 62a_200025704644_200012344967 [0,2,0,0,0,0|0,1,0]=3 5757 B12R1.270 CCOc1cc(ccc1I)C#N 34a_100000724445_100000210202 [0,2,0,0,0,0|2,0,0]=4 5758 B12R1.270 CCOc1cc(ccc1I)C#N 7a_100000724445_100000210202 [0,2,0,0,0,0|2,0,0]=4 5759 B12R1.270 CCOc1cc(ccc1I)CO 34a_100000049605_100000210202 [0,2,0,0,0,0|2,0,0]=4 5760 B12R1.270 CCOc1cc(ccc1I)CO 7a_100000049605_100000210202 [0,2,0,0,0,0|2,0,0]=4 5761 B12R1.270 CCOc1cc(ccc1I)OC 34a_100010168831_100000210202 [0,2,0,0,0,0|0,0,0]=2 5762 B12R1.270 CCOc1cc(ccc1I)OC 7a_100010168831_100000210202 [0,2,0,0,0,0|0,0,0]=2 5763 B12R1.270 CCOc1cc(ccc1N)C#N 34a_100011997735_100000210202 [0,2,0,0,0,0|2,0,0]=4 5764 B12R1.270 CCOc1cc(ccc1N)C#N 7a_100011997735_100000210202 [0,2,0,0,0,0|2,0,0]=4 5765 B12R1.270 CCOc1cc(ccc1N)CC 34a_100000124328_100000210202 [0,2,0,0,0,0|1,0,0]=3 5766 B12R1.270 CCOc1cc(ccc1N)CC 7a_100000124328_100000210202 [0,2,0,0,0,0|1,0,0]=3 5767 B12R1.270 CCOc1cc(ccc1N)OC 34a_100016989039_100000210202 [0,2,0,0,0,0|0,0,0]=2 5768 B12R1.270 CCOc1cc(ccc1N)OC 7a_100016989039_100000210202 [0,2,0,0,0,0|0,0,0]=2 5769 B12R1.270 CCOc1cc(ccc1N)SC 62a_100000688918_200000210301 [0,2,0,0,0,0|0,1,0]=3 5770 B12R1.270 CCOc1cc(ccc1N)S[13CH3] 62a_100000688918_200025704644 [0,2,0,0,0,0|0,1,0]=3 5771 B12R1.270 CCOc1cc(ccc1O)C=O 271570a_203496583355_200010381951 [0,2,0,0,0,0|2,0,0]=4 5772 B12R1.270 CCOc1cc(cnc1F)SC 62a_100010732568_200000210301 [0,2,0,0,0,0|1,1,0]=4 5773 B12R1.270 CCOc1cc(cnc1F)SC 62a_200000210301_100010732568 [0,2,0,0,0,0|1,1,0]=4 5774 B12R1.270 CCOc1cc(cnc1F)S[13CH3] 62a_100010732568_200025704644 [0,2,0,0,0,0|1,1,0]=4 5775 B12R1.270 CCOc1cc(cnc1F)S[13CH3] 62a_200025704644_100010732568 [0,2,0,0,0,0|1,1,0]=4 5776 B12R1.270 CCOc1cc(ncc1Br)OC 34a_100010738159_100000210202 [0,2,0,0,0,0|1,0,0]=3 5777 B12R1.270 CCOc1cc(ncc1N)SC 62a_100015764953_200000210301 [0,2,0,0,0,0|1,1,0]=4 5778 B12R1.270 CCOc1cc(ncc1N)SC 62a_200000210301_100015764953 [0,2,0,0,0,0|1,1,0]=4 5779 B12R1.270 CCOc1cc(ncc1N)S[13CH3] 62a_100015764953_200025704644 [0,2,0,0,0,0|1,1,0]=4 5780 B12R1.270 CCOc1cc(ncc1N)S[13CH3] 62a_200025704644_100015764953 [0,2,0,0,0,0|1,1,0]=4 5781 B12R1.270 CCSc1cc(ccc1Br)OC 62a_100000210202_100009992028 [0,2,0,0,0,0|0,1,0]=3 5782 B12R1.270 CCSc1cc(ccc1Br)OC 62a_100009992028_100000210202 [0,2,0,0,0,0|0,1,0]=3 5783 B12R1.270 CCSc1cc(ccc1C)NC 62a_100000210202_100000707694 [0,2,0,0,0,0|1,1,0]=4 5784 B12R1.270 CCSc1cc(ccc1C)NC 62a_100000707694_100000210202 [0,2,0,0,0,0|1,1,0]=4 5785 B12R1.270 CCSc1cc(ccc1C)OC 62a_100000210202_100012349166 [0,2,0,0,0,0|0,1,0]=3 5786 B12R1.270 CCSc1cc(ccc1C)OC 62a_100012349166_100000210202 [0,2,0,0,0,0|0,1,0]=3 5787 B12R1.270 CCSc1cc(ccc1Cl)OC 62a_100000210202_100011356938 [0,2,0,0,0,0|0,1,0]=3 5788 B12R1.270 CCSc1cc(ccc1Cl)OC 62a_100011356938_100000210202 [0,2,0,0,0,0|0,1,0]=3 5789 B12R1.270 CCSc1cc(ccc1F)CC 62a_100000210202_200010244628 [0,2,0,0,0,0|1,1,0]=4 5790 B12R1.270 CCSc1cc(ccc1F)CC 62a_200010244628_100000210202 [0,2,0,0,0,0|1,1,0]=4 5791 B12R1.270 CCSc1cc(ccc1F)OC 62a_100000210202_100000699733 [0,2,0,0,0,0|0,1,0]=3 5792 B12R1.270 CCSc1cc(ccc1F)OC 62a_100000699733_100000210202 [0,2,0,0,0,0|0,1,0]=3 5793 B12R1.270 CCSc1cc(ccc1F)SC 62a_100000210202_200010708804 [0,2,0,0,0,0|0,2,0]=4 5794 B12R1.270 CCSc1cc(ccc1F)SC 62a_200010708804_100000210202 [0,2,0,0,0,0|0,2,0]=4 5795 B12R1.270 CCSc1cc(ccc1N)CC 62a_100000210202_100012339725 [0,2,0,0,0,0|1,1,0]=4 5796 B12R1.270 CCSc1cc(ccc1N)CC 62a_100012339725_100000210202 [0,2,0,0,0,0|1,1,0]=4 5797 B12R1.270 CCSc1cc(ccc1N)OC 62a_100000210202_100015195136 [0,2,0,0,0,0|0,1,0]=3 5798 B12R1.270 CCSc1cc(ccc1N)OC 62a_100015195136_100000210202 [0,2,0,0,0,0|0,1,0]=3 5799 B12R1.270 CCSc1cc(ccc1O)CC 62a_100000210202_100012339963 [0,2,0,0,0,0|1,1,0]=4 5800 B12R1.270 CCSc1cc(ccc1O)CC 62a_100012339963_100000210202 [0,2,0,0,0,0|1,1,0]=4 5801 B12R1.270 CCSc1cc(ccc1O)OC 62a_100000210202_100000685887 [0,2,0,0,0,0|0,1,0]=3 5802 B12R1.270 CCSc1cc(cnc1F)OC 62a_100000210202_100010068374 [0,2,0,0,0,0|1,1,0]=4 5803 B12R1.270 CCSc1cc(cnc1F)OC 62a_100010068374_100000210202 [0,2,0,0,0,0|1,1,0]=4 5804 B12R1.270 CCSc1cc(ncc1C)OC 62a_100000210202_100010068546 [0,2,0,0,0,0|1,1,0]=4 5805 B12R1.270 CCSc1cc(ncc1C)OC 62a_100010068546_100000210202 [0,2,0,0,0,0|1,1,0]=4 5806 B12R1.270 CCSc1cc(ncc1Cl)OC 62a_100000210202_100010068019 [0,2,0,0,0,0|1,1,0]=4 5807 B12R1.270 CCSc1cc(ncc1Cl)OC 62a_100010068019_100000210202 [0,2,0,0,0,0|1,1,0]=4 5808 B12R1.270 CCSc1cc(ncc1F)OC 62a_100000210202_100010160775 [0,2,0,0,0,0|1,1,0]=4 5809 B12R1.270 CCSc1cc(ncc1F)OC 62a_100010160775_100000210202 [0,2,0,0,0,0|1,1,0]=4 5810 B12R1.270 CCSc1nc(ccc1N)OC 62a_100000069805_100000210202 [0,2,0,0,0,0|1,1,0]=4 5811 B12R1.270 CCSc1nc(ccc1N)OC 62a_100000210202_100000069805 [0,2,0,0,0,0|1,1,0]=4 5812 B12R1.270 CCc1ccc(c(c1)NCF)C 34a_200012022522_100015361967 [0,2,0,0,0,0|2,0,0]=4 5813 B12R1.270 CCc1ccc(c(c1)NCF)C 7a_200012022522_100015361967 [0,2,0,0,0,0|2,0,0]=4 5814 B12R1.270 CCc1ccc(c(c1)NCF)O 34a_100000765835_100015361967 [0,2,0,0,0,0|2,0,0]=4 5815 B12R1.270 CCc1ccc(c(c1)OCF)N 34a_100000124328_100015361967 [0,2,0,0,0,0|1,0,0]=3 5816 B12R1.270 CCc1ccc(c(c1)OCF)N 7a_100000124328_100015361967 [0,2,0,0,0,0|1,0,0]=3 5817 B12R1.270 CCc1ccc(c(c1)SCF)F 62a_100015361967_200010244628 [0,2,0,0,0,0|1,1,0]=4 5818 B12R1.270 CCc1ccc(c(c1)SCF)F 62a_200010244628_100015361967 [0,2,0,0,0,0|1,1,0]=4 5819 B12R1.270 CCc1ccc(c(c1)SCF)N 62a_100012339725_100015361967 [0,2,0,0,0,0|1,1,0]=4 5820 B12R1.270 CCc1ccc(c(c1)SCF)N 62a_100015361967_100012339725 [0,2,0,0,0,0|1,1,0]=4 5821 B12R1.270 CCc1ccc(c(c1)SCF)O 62a_100012339963_100015361967 [0,2,0,0,0,0|1,1,0]=4 5822 B12R1.270 CCc1ccc(c(c1)SCF)O 62a_100015361967_100012339963 [0,2,0,0,0,0|1,1,0]=4 5823 B12R1.270 CNCc1cc(ccc1Br)OC 207a_100102657272_100000691568 [0,2,0,0,0,0|1,0,0]=3 5824 B12R1.270 CNCc1cc(ccc1Br)OC 2230a_100000741592_200000210301 [0,2,0,0,0,0|1,0,0]=3 5825 B12R1.270 CNCc1cc(ccc1Br)OC 2230a_106832991635_100000761528 [0,2,0,0,0,0|1,0,0]=3 5826 B12R1.270 CNCc1cc(ccc1Br)OC 26a_100102657272_100000719091 [0,2,0,0,0,0|1,0,0]=3 5827 B12R1.270 CNCc1cc(ccc1Br)OC 270004a_106832991635_100000691568 [0,2,0,0,0,0|1,0,0]=3 5828 B12R1.270 CNCc1cc(ccc1Br)OC 34a_100000741592_200000210301 [0,2,0,0,0,0|1,0,0]=3 5829 B12R1.270 CNCc1cc(ccc1Br)OC 34a_100102657272_100000761528 [0,2,0,0,0,0|1,0,0]=3 5830 B12R1.270 CNCc1cc(ccc1Br)OC 7a_106832991635_100000761528 [0,2,0,0,0,0|1,0,0]=3 5831 B12R1.270 CNCc1cc(ccc1C)OC 207a_100102657272_100012017359 [0,2,0,0,0,0|1,0,0]=3 5832 B12R1.270 CNCc1cc(ccc1C)OC 270004a_106832991635_100012017359 [0,2,0,0,0,0|1,0,0]=3 5833 B12R1.270 CNCc1cc(ccc1C)OC 34a_100012180165_200000210301 [0,2,0,0,0,0|1,0,0]=3 5834 B12R1.270 CNCc1cc(ccc1C)SC 62a_106744473289_200000210301 [0,2,0,0,0,0|1,1,0]=4 5835 B12R1.270 CNCc1cc(ccc1C)SC 62a_200000210301_106744473289 [0,2,0,0,0,0|1,1,0]=4 5836 B12R1.270 CNCc1cc(ccc1C)S[13CH3] 62a_106744473289_200025704644 [0,2,0,0,0,0|1,1,0]=4 5837 B12R1.270 CNCc1cc(ccc1C)S[13CH3] 62a_200025704644_106744473289 [0,2,0,0,0,0|1,1,0]=4 5838 B12R1.270 CNCc1cc(ccc1Cl)OC 207a_100102657272_100000117592 [0,2,0,0,0,0|1,0,0]=3 5839 B12R1.270 CNCc1cc(ccc1Cl)OC 2230a_106832991635_100000718613 [0,2,0,0,0,0|1,0,0]=3 5840 B12R1.270 CNCc1cc(ccc1Cl)OC 26a_100102657272_100011516019 [0,2,0,0,0,0|1,0,0]=3 5841 B12R1.270 CNCc1cc(ccc1Cl)OC 270004a_106832991635_100000117592 [0,2,0,0,0,0|1,0,0]=3 5842 B12R1.270 CNCc1cc(ccc1Cl)OC 34a_100102657272_100000718613 [0,2,0,0,0,0|1,0,0]=3 5843 B12R1.270 CNCc1cc(ccc1Cl)OC 7a_106832991635_100000718613 [0,2,0,0,0,0|1,0,0]=3 5844 B12R1.270 CNCc1cc(ccc1F)OC 207a_100102657272_100000034340 [0,2,0,0,0,0|1,0,0]=3 5845 B12R1.270 CNCc1cc(ccc1F)OC 2230a_106832991635_100010243555 [0,2,0,0,0,0|1,0,0]=3 5846 B12R1.270 CNCc1cc(ccc1F)OC 270004a_106832991635_100000034340 [0,2,0,0,0,0|1,0,0]=3 5847 B12R1.270 CNCc1cc(ccc1F)OC 34a_100016995475_200000210301 [0,2,0,0,0,0|1,0,0]=3 5848 B12R1.270 CNCc1cc(ccc1F)OC 34a_100102657272_100010243555 [0,2,0,0,0,0|1,0,0]=3 5849 B12R1.270 CNCc1cc(ccc1F)OC 7a_106832991635_100010243555 [0,2,0,0,0,0|1,0,0]=3 5850 B12R1.270 CNCc1cc(ccc1F)SC 207a_100102657272_200010946432 [0,2,0,0,0,0|1,1,0]=4 5851 B12R1.270 CNCc1cc(ccc1F)SC 270004a_106832991635_200010946432 [0,2,0,0,0,0|1,1,0]=4 5852 B12R1.270 CNCc1cc(ccc1F)SC 62a_100000748472_200000210301 [0,2,0,0,0,0|1,1,0]=4 5853 B12R1.270 CNCc1cc(ccc1F)SC 62a_200000210301_100000748472 [0,2,0,0,0,0|1,1,0]=4 5854 B12R1.270 CNCc1cc(ccc1F)S[13CH3] 62a_100000748472_200025704644 [0,2,0,0,0,0|1,1,0]=4 5855 B12R1.270 CNCc1cc(ccc1F)S[13CH3] 62a_200025704644_100000748472 [0,2,0,0,0,0|1,1,0]=4 5856 B12R1.270 CNCc1cc(ccc1I)OC 207a_100102657272_100010075557 [0,2,0,0,0,0|1,0,0]=3 5857 B12R1.270 CNCc1cc(ccc1I)OC 270004a_106832991635_100010075557 [0,2,0,0,0,0|1,0,0]=3 5858 B12R1.270 CNCc1cc(ccc1O)SC 62a_100011602694_200000210301 [0,2,0,0,0,0|1,1,0]=4 5859 B12R1.270 CNCc1cc(ccc1O)SC 62a_200000210301_100011602694 [0,2,0,0,0,0|1,1,0]=4 5860 B12R1.270 CNCc1cc(ccc1O)S[13CH3] 62a_100011602694_200025704644 [0,2,0,0,0,0|1,1,0]=4 5861 B12R1.270 CNCc1cc(ccc1O)S[13CH3] 62a_200025704644_100011602694 [0,2,0,0,0,0|1,1,0]=4 5862 B12R1.270 CNCc1cc(ncc1Br)OC 207a_100102657272_100010171658 [0,2,0,0,0,0|2,0,0]=4 5863 B12R1.270 CNCc1cc(ncc1Br)OC 270004a_106832991635_100010171658 [0,2,0,0,0,0|2,0,0]=4 5864 B12R1.270 CNCc1cc(ncc1Cl)OC 207a_100102657272_100009859511 [0,2,0,0,0,0|2,0,0]=4 5865 B12R1.270 CNCc1cc(ncc1Cl)OC 270004a_106832991635_100009859511 [0,2,0,0,0,0|2,0,0]=4 5866 B12R1.270 CNCc1cc(ncc1F)OC 207a_100102657272_100011998751 [0,2,0,0,0,0|2,0,0]=4 5867 B12R1.270 CNCc1cc(ncc1F)OC 270004a_106832991635_100011998751 [0,2,0,0,0,0|2,0,0]=4 5868 B12R1.270 CNCc1nc(ccc1Br)OC 207a_100102657272_200010173843 [0,2,0,0,0,0|2,0,0]=4 5869 B12R1.270 CNCc1nc(ccc1Br)OC 270004a_106832991635_200010173843 [0,2,0,0,0,0|2,0,0]=4 5870 B12R1.270 CNCc1nc(ccc1Cl)OC 207a_100102657272_100000070420 [0,2,0,0,0,0|2,0,0]=4 5871 B12R1.270 CNCc1nc(ccc1Cl)OC 2230a_100011639525_200000210301 [0,2,0,0,0,0|2,0,0]=4 5872 B12R1.270 CNCc1nc(ccc1Cl)OC 270004a_106832991635_100000070420 [0,2,0,0,0,0|2,0,0]=4 5873 B12R1.270 CNc1ccc(c(c1)SCF)C 62a_100000707694_100015361967 [0,2,0,0,0,0|1,1,0]=4 5874 B12R1.270 CNc1ccc(c(c1)SCF)C 62a_100015361967_100000707694 [0,2,0,0,0,0|1,1,0]=4 5875 B12R1.270 COCc1cc(ccc1Br)C#N 34a_100010246249_200000210301 [0,2,0,0,0,0|2,0,0]=4 5876 B12R1.270 COCc1cc(ccc1Br)C#N 34a_100138415774_100012145668 [0,2,0,0,0,0|2,0,0]=4 5877 B12R1.270 COCc1cc(ccc1Br)C#N 7a_100010246249_200000210301 [0,2,0,0,0,0|2,0,0]=4 5878 B12R1.270 COCc1cc(ccc1Br)OC 34a_100138415774_100000761528 [0,2,0,0,0,0|0,0,0]=2 5879 B12R1.270 COCc1cc(ccc1Br)OC 34a_200011273942_200000210301 [0,2,0,0,0,0|0,0,0]=2 5880 B12R1.270 COCc1cc(ccc1Br)OC 7a_200011273942_200000210301 [0,2,0,0,0,0|0,0,0]=2 5881 B12R1.270 COCc1cc(ccc1Br)SC 62a_200000210301_202125822959 [0,2,0,0,0,0|0,1,0]=3 5882 B12R1.270 COCc1cc(ccc1Br)SC 62a_202125822959_200000210301 [0,2,0,0,0,0|0,1,0]=3 5883 B12R1.270 COCc1cc(ccc1Br)S[13CH3] 62a_200025704644_202125822959 [0,2,0,0,0,0|0,1,0]=3 5884 B12R1.270 COCc1cc(ccc1Br)S[13CH3] 62a_202125822959_200025704644 [0,2,0,0,0,0|0,1,0]=3 5885 B12R1.270 COCc1cc(ccc1C)C#N 34a_200009860882_200000210301 [0,2,0,0,0,0|2,0,0]=4 5886 B12R1.270 COCc1cc(ccc1C)C#N 7a_200009860882_200000210301 [0,2,0,0,0,0|2,0,0]=4 5887 B12R1.270 COCc1cc(ccc1C)OC 34a_100009841904_200000210301 [0,2,0,0,0,0|0,0,0]=2 5888 B12R1.270 COCc1cc(ccc1C)OC 7a_100009841904_200000210301 [0,2,0,0,0,0|0,0,0]=2 5889 B12R1.270 COCc1cc(ccc1Cl)OC 34a_100138415774_100000718613 [0,2,0,0,0,0|0,0,0]=2 5890 B12R1.270 COCc1cc(ccc1F)C#N 34a_100000757149_200000210301 [0,2,0,0,0,0|2,0,0]=4 5891 B12R1.270 COCc1cc(ccc1F)C#N 7a_100000757149_200000210301 [0,2,0,0,0,0|2,0,0]=4 5892 B12R1.270 COCc1cc(ccc1F)OC 34a_100000067870_200000210301 [0,2,0,0,0,0|0,0,0]=2 5893 B12R1.270 COCc1cc(ccc1F)OC 34a_100138415774_100010243555 [0,2,0,0,0,0|0,0,0]=2 5894 B12R1.270 COCc1cc(ccc1F)OC 7a_100000067870_200000210301 [0,2,0,0,0,0|0,0,0]=2 5895 B12R1.270 COCc1cc(ccc1F)SC 62a_100010140362_200000210301 [0,2,0,0,0,0|0,1,0]=3 5896 B12R1.270 COCc1cc(ccc1F)SC 62a_200000210301_100010140362 [0,2,0,0,0,0|0,1,0]=3 5897 B12R1.270 COCc1cc(ccc1F)S[13CH3] 62a_100010140362_200025704644 [0,2,0,0,0,0|0,1,0]=3 5898 B12R1.270 COCc1cc(ccc1F)S[13CH3] 62a_200025704644_100010140362 [0,2,0,0,0,0|0,1,0]=3 5899 B12R1.270 COCc1cc(ccc1N)OC 34a_100012001277_200000210301 [0,2,0,0,0,0|0,0,0]=2 5900 B12R1.270 COCc1nc(ccc1Cl)OC 34a_100011438736_200000210301 [0,2,0,0,0,0|1,0,0]=3 5901 B12R1.270 COc1cc(c(cn1)Br)OCF 34a_100010738159_100015361967 [0,2,0,0,0,0|1,0,0]=3 5902 B12R1.270 COc1cc(c(cn1)C)SCF 62a_100010068546_100015361967 [0,2,0,0,0,0|1,1,0]=4 5903 B12R1.270 COc1cc(c(cn1)C)SCF 62a_100015361967_100010068546 [0,2,0,0,0,0|1,1,0]=4 5904 B12R1.270 COc1cc(c(cn1)Cl)SCF 62a_100010068019_100015361967 [0,2,0,0,0,0|1,1,0]=4 5905 B12R1.270 COc1cc(c(cn1)Cl)SCF 62a_100015361967_100010068019 [0,2,0,0,0,0|1,1,0]=4 5906 B12R1.270 COc1cc(c(cn1)F)SCF 62a_100010160775_100015361967 [0,2,0,0,0,0|1,1,0]=4 5907 B12R1.270 COc1cc(c(cn1)F)SCF 62a_100015361967_100010160775 [0,2,0,0,0,0|1,1,0]=4 5908 B12R1.270 COc1ccc(c(c1)CC#N)O 271570a_203496583355_100012259381 [0,2,0,0,0,0|1,0,1]=4 5909 B12R1.270 COc1ccc(c(c1)CCO)O 271570a_203496583355_100012259501 [0,2,0,0,0,0|1,0,0]=3 5910 B12R1.270 COc1ccc(c(c1)CN[13CH3])Br 2230a_100000741592_200025704644 [0,2,0,0,0,0|1,0,0]=3 5911 B12R1.270 COc1ccc(c(c1)CN[13CH3])Br 34a_100000741592_200025704644 [0,2,0,0,0,0|1,0,0]=3 5912 B12R1.270 COc1ccc(c(c1)CN[13CH3])C 34a_100012180165_200025704644 [0,2,0,0,0,0|1,0,0]=3 5913 B12R1.270 COc1ccc(c(c1)CN[13CH3])F 34a_100016995475_200025704644 [0,2,0,0,0,0|1,0,0]=3 5914 B12R1.270 COc1ccc(c(c1)CO[13CH3])Br 34a_200011273942_200025704644 [0,2,0,0,0,0|0,0,0]=2 5915 B12R1.270 COc1ccc(c(c1)CO[13CH3])Br 7a_200011273942_200025704644 [0,2,0,0,0,0|0,0,0]=2 5916 B12R1.270 COc1ccc(c(c1)CO[13CH3])C 34a_100009841904_200025704644 [0,2,0,0,0,0|0,0,0]=2 5917 B12R1.270 COc1ccc(c(c1)CO[13CH3])C 7a_100009841904_200025704644 [0,2,0,0,0,0|0,0,0]=2 5918 B12R1.270 COc1ccc(c(c1)CO[13CH3])F 34a_100000067870_200025704644 [0,2,0,0,0,0|0,0,0]=2 5919 B12R1.270 COc1ccc(c(c1)CO[13CH3])F 7a_100000067870_200025704644 [0,2,0,0,0,0|0,0,0]=2 5920 B12R1.270 COc1ccc(c(c1)CO[13CH3])N 34a_100012001277_200025704644 [0,2,0,0,0,0|0,0,0]=2 5921 B12R1.270 COc1ccc(c(c1)CSC)Br 62a_100000761528_200000210301 [0,2,0,0,0,0|0,1,0]=3 5922 B12R1.270 COc1ccc(c(c1)CSC)Br 62a_200000210301_100000761528 [0,2,0,0,0,0|0,1,0]=3 5923 B12R1.270 COc1ccc(c(c1)CSC)Cl 62a_100000718613_200000210301 [0,2,0,0,0,0|0,1,0]=3 5924 B12R1.270 COc1ccc(c(c1)CSC)Cl 62a_200000210301_100000718613 [0,2,0,0,0,0|0,1,0]=3 5925 B12R1.270 COc1ccc(c(c1)CSC)F 62a_100010243555_200000210301 [0,2,0,0,0,0|0,1,0]=3 5926 B12R1.270 COc1ccc(c(c1)CSC)F 62a_200000210301_100010243555 [0,2,0,0,0,0|0,1,0]=3 5927 B12R1.270 COc1ccc(c(c1)CS[13CH3])Br 62a_100000761528_200025704644 [0,2,0,0,0,0|0,1,0]=3 5928 B12R1.270 COc1ccc(c(c1)CS[13CH3])Br 62a_200025704644_100000761528 [0,2,0,0,0,0|0,1,0]=3 5929 B12R1.270 COc1ccc(c(c1)CS[13CH3])Cl 62a_100000718613_200025704644 [0,2,0,0,0,0|0,1,0]=3 5930 B12R1.270 COc1ccc(c(c1)CS[13CH3])Cl 62a_200025704644_100000718613 [0,2,0,0,0,0|0,1,0]=3 5931 B12R1.270 COc1ccc(c(c1)CS[13CH3])F 62a_100010243555_200025704644 [0,2,0,0,0,0|0,1,0]=3 5932 B12R1.270 COc1ccc(c(c1)CS[13CH3])F 62a_200025704644_100010243555 [0,2,0,0,0,0|0,1,0]=3 5933 B12R1.270 COc1ccc(c(c1)NCF)Br 34a_100000748603_100015361967 [0,2,0,0,0,0|1,0,0]=3 5934 B12R1.270 COc1ccc(c(c1)NCF)C 34a_100000760359_100015361967 [0,2,0,0,0,0|1,0,0]=3 5935 B12R1.270 COc1ccc(c(c1)NCF)Cl 34a_100000745576_100015361967 [0,2,0,0,0,0|1,0,0]=3 5936 B12R1.270 COc1ccc(c(c1)NCF)F 34a_100000764331_100015361967 [0,2,0,0,0,0|1,0,0]=3 5937 B12R1.270 COc1ccc(c(c1)NCF)I 34a_100000748021_100015361967 [0,2,0,0,0,0|1,0,0]=3 5938 B12R1.270 COc1ccc(c(c1)NCF)O 34a_100000188146_100015361967 [0,2,0,0,0,0|1,0,0]=3 5939 B12R1.270 COc1ccc(c(c1)OCF)Br 34a_100000719091_100015361967 [0,2,0,0,0,0|0,0,0]=2 5940 B12R1.270 COc1ccc(c(c1)OCF)Br 7a_100000719091_100015361967 [0,2,0,0,0,0|0,0,0]=2 5941 B12R1.270 COc1ccc(c(c1)OCF)C 34a_100012179981_100015361967 [0,2,0,0,0,0|0,0,0]=2 5942 B12R1.270 COc1ccc(c(c1)OCF)C 7a_100012179981_100015361967 [0,2,0,0,0,0|0,0,0]=2 5943 B12R1.270 COc1ccc(c(c1)OCF)Cl 34a_100011516019_100015361967 [0,2,0,0,0,0|0,0,0]=2 5944 B12R1.270 COc1ccc(c(c1)OCF)Cl 7a_100011516019_100015361967 [0,2,0,0,0,0|0,0,0]=2 5945 B12R1.270 COc1ccc(c(c1)OCF)F 34a_100012178750_100015361967 [0,2,0,0,0,0|0,0,0]=2 5946 B12R1.270 COc1ccc(c(c1)OCF)F 7a_100012178750_100015361967 [0,2,0,0,0,0|0,0,0]=2 5947 B12R1.270 COc1ccc(c(c1)OCF)I 34a_100010168831_100015361967 [0,2,0,0,0,0|0,0,0]=2 5948 B12R1.270 COc1ccc(c(c1)OCF)I 7a_100010168831_100015361967 [0,2,0,0,0,0|0,0,0]=2 5949 B12R1.270 COc1ccc(c(c1)OCF)N 34a_100016989039_100015361967 [0,2,0,0,0,0|0,0,0]=2 5950 B12R1.270 COc1ccc(c(c1)OCF)N 7a_100016989039_100015361967 [0,2,0,0,0,0|0,0,0]=2 5951 B12R1.270 COc1ccc(c(c1)SCF)Br 62a_100009992028_100015361967 [0,2,0,0,0,0|0,1,0]=3 5952 B12R1.270 COc1ccc(c(c1)SCF)Br 62a_100015361967_100009992028 [0,2,0,0,0,0|0,1,0]=3 5953 B12R1.270 COc1ccc(c(c1)SCF)C 62a_100012349166_100015361967 [0,2,0,0,0,0|0,1,0]=3 5954 B12R1.270 COc1ccc(c(c1)SCF)C 62a_100015361967_100012349166 [0,2,0,0,0,0|0,1,0]=3 5955 B12R1.270 COc1ccc(c(c1)SCF)Cl 62a_100011356938_100015361967 [0,2,0,0,0,0|0,1,0]=3 5956 B12R1.270 COc1ccc(c(c1)SCF)Cl 62a_100015361967_100011356938 [0,2,0,0,0,0|0,1,0]=3 5957 B12R1.270 COc1ccc(c(c1)SCF)F 62a_100000699733_100015361967 [0,2,0,0,0,0|0,1,0]=3 5958 B12R1.270 COc1ccc(c(c1)SCF)F 62a_100015361967_100000699733 [0,2,0,0,0,0|0,1,0]=3 5959 B12R1.270 COc1ccc(c(c1)SCF)N 62a_100015195136_100015361967 [0,2,0,0,0,0|0,1,0]=3 5960 B12R1.270 COc1ccc(c(c1)SCF)N 62a_100015361967_100015195136 [0,2,0,0,0,0|0,1,0]=3 5961 B12R1.270 COc1ccc(c(c1)SCF)O 62a_100015361967_100000685887 [0,2,0,0,0,0|0,1,0]=3 5962 B12R1.270 COc1ccc(c(n1)CN[13CH3])Cl 2230a_100011639525_200025704644 [0,2,0,0,0,0|2,0,0]=4 5963 B12R1.270 COc1ccc(c(n1)CO[13CH3])Cl 34a_100011438736_200025704644 [0,2,0,0,0,0|1,0,0]=3 5964 B12R1.270 COc1ccc(c(n1)SCF)N 62a_100000069805_100015361967 [0,2,0,0,0,0|1,1,0]=4 5965 B12R1.270 COc1ccc(c(n1)SCF)N 62a_100015361967_100000069805 [0,2,0,0,0,0|1,1,0]=4 5966 B12R1.270 COc1cnc(c(c1)SCF)F 62a_100010068374_100015361967 [0,2,0,0,0,0|1,1,0]=4 5967 B12R1.270 COc1cnc(c(c1)SCF)F 62a_100015361967_100010068374 [0,2,0,0,0,0|1,1,0]=4 5968 B12R1.270 CSc1ccc(c(c1)SCF)F 62a_100015361967_200010708804 [0,2,0,0,0,0|0,2,0]=4 5969 B12R1.270 CSc1ccc(c(c1)SCF)F 62a_200010708804_100015361967 [0,2,0,0,0,0|0,2,0]=4 5970 B12R1.270 Cc1ccc(cc1CO[13CH3])C#N 34a_200009860882_200025704644 [0,2,0,0,0,0|2,0,0]=4 5971 B12R1.270 Cc1ccc(cc1CO[13CH3])C#N 7a_200009860882_200025704644 [0,2,0,0,0,0|2,0,0]=4 5972 B12R1.270 Cc1ccc(cc1OCF)C#N 34a_100000765541_100015361967 [0,2,0,0,0,0|2,0,0]=4 5973 B12R1.270 Cc1ccc(cc1OCF)C#N 7a_100000765541_100015361967 [0,2,0,0,0,0|2,0,0]=4 5974 B12R1.270 N#Cc1ccc(c(c1)OCF)Br 34a_100009877741_100015361967 [0,2,0,0,0,0|2,0,0]=4 5975 B12R1.270 N#Cc1ccc(c(c1)OCF)Br 7a_100009877741_100015361967 [0,2,0,0,0,0|2,0,0]=4 5976 B12R1.270 N#Cc1ccc(c(c1)OCF)Cl 34a_100012186312_100015361967 [0,2,0,0,0,0|2,0,0]=4 5977 B12R1.270 N#Cc1ccc(c(c1)OCF)Cl 7a_100012186312_100015361967 [0,2,0,0,0,0|2,0,0]=4 5978 B12R1.270 N#Cc1ccc(c(c1)OCF)F 34a_100000069402_100015361967 [0,2,0,0,0,0|2,0,0]=4 5979 B12R1.270 N#Cc1ccc(c(c1)OCF)F 7a_100000069402_100015361967 [0,2,0,0,0,0|2,0,0]=4 5980 B12R1.270 N#Cc1ccc(c(c1)OCF)I 34a_100000724445_100015361967 [0,2,0,0,0,0|2,0,0]=4 5981 B12R1.270 N#Cc1ccc(c(c1)OCF)I 7a_100000724445_100015361967 [0,2,0,0,0,0|2,0,0]=4 5982 B12R1.270 N#Cc1ccc(c(c1)OCF)N 34a_100011997735_100015361967 [0,2,0,0,0,0|2,0,0]=4 5983 B12R1.270 N#Cc1ccc(c(c1)OCF)N 7a_100011997735_100015361967 [0,2,0,0,0,0|2,0,0]=4 5984 B12R1.270 NCc1ccc(c(c1)OCF)Cl 34a_100020636435_100015361967 [0,2,0,0,0,0|2,0,0]=4 5985 B12R1.270 NCc1ccc(c(c1)OCF)F 34a_100160469508_100015361967 [0,2,0,0,0,0|2,0,0]=4 5986 B12R1.270 OCc1ccc(c(c1)OCF)Br 34a_100010191536_100015361967 [0,2,0,0,0,0|2,0,0]=4 5987 B12R1.270 OCc1ccc(c(c1)OCF)Br 7a_100010191536_100015361967 [0,2,0,0,0,0|2,0,0]=4 5988 B12R1.270 OCc1ccc(c(c1)OCF)Cl 34a_100009876509_100015361967 [0,2,0,0,0,0|2,0,0]=4 5989 B12R1.270 OCc1ccc(c(c1)OCF)Cl 7a_100009876509_100015361967 [0,2,0,0,0,0|2,0,0]=4 5990 B12R1.270 OCc1ccc(c(c1)OCF)F 34a_100009842347_100015361967 [0,2,0,0,0,0|2,0,0]=4 5991 B12R1.270 OCc1ccc(c(c1)OCF)F 7a_100009842347_100015361967 [0,2,0,0,0,0|2,0,0]=4 5992 B12R1.270 OCc1ccc(c(c1)OCF)I 34a_100000049605_100015361967 [0,2,0,0,0,0|2,0,0]=4 5993 B12R1.270 OCc1ccc(c(c1)OCF)I 7a_100000049605_100015361967 [0,2,0,0,0,0|2,0,0]=4 5994 B12R1.270 [13CH3]OCc1cc(ccc1Br)C#N 34a_100010246249_200025704644 [0,2,0,0,0,0|2,0,0]=4 5995 B12R1.270 [13CH3]OCc1cc(ccc1Br)C#N 7a_100010246249_200025704644 [0,2,0,0,0,0|2,0,0]=4 5996 B12R1.270 [13CH3]OCc1cc(ccc1F)C#N 34a_100000757149_200025704644 [0,2,0,0,0,0|2,0,0]=4 5997 B12R1.270 [13CH3]OCc1cc(ccc1F)C#N 7a_100000757149_200025704644 [0,2,0,0,0,0|2,0,0]=4 5998 B12R1.278 C=C=Cc1cccc(c1)COC 271570a_100015277604_100011493687 [0,2,0,0,0,0|1,0,1]=4 5999 B12R1.278 C=C=Cc1cccc(c1)OCC 271570a_100015277604_100000170002 [0,2,0,0,0,0|1,0,1]=4 6000 B12R1.278 CC#Cc1cccc(c1)C=CC 271570a_100016259895_200009843338 [0,2,0,0,0,0|2,0,0]=4 6001 B12R1.278 CC#Cc1cccc(c1)SCC 62a_100000210202_200009843338 [0,2,0,0,0,0|1,1,0]=4 6002 B12R1.278 CC#Cc1cccc(c1)SCF 62a_100015361967_200009843338 [0,2,0,0,0,0|1,1,0]=4 6003 B12R1.278 CC=Cc1cc(ccn1)OCC 271570a_100016259895_100011922638 [0,2,0,0,0,0|2,0,0]=4 6004 B12R1.278 CC=Cc1cccc(c1)CCC 271570a_100016259895_100000694964 [0,2,0,0,0,0|2,0,0]=4 6005 B12R1.278 CC=Cc1cccc(c1)CCN 271570a_100016259895_100011207229 [0,2,0,0,0,0|2,0,0]=4 6006 B12R1.278 CC=Cc1cccc(c1)CCO 271570a_100016259895_100011217444 [0,2,0,0,0,0|2,0,0]=4 6007 B12R1.278 CC=Cc1cccc(c1)CNC 271570a_100016259895_100000187585 [0,2,0,0,0,0|2,0,0]=4 6008 B12R1.278 CC=Cc1cccc(c1)COC 271570a_100016259895_100011493687 [0,2,0,0,0,0|1,0,0]=3 6009 B12R1.278 CC=Cc1cccc(c1)NCC 271570a_100016259895_100000738899 [0,2,0,0,0,0|2,0,0]=4 6010 B12R1.278 CC=Cc1cccc(c1)OCC 271570a_100016259895_100000170002 [0,2,0,0,0,0|1,0,0]=3 6011 B12R1.278 CC=Cc1cccc(c1)SCC 271570a_100016259895_100000703699 [0,2,0,0,0,0|1,1,0]=4 6012 B12R1.278 CC=Cc1cccc(n1)OCC 271570a_100016259895_100000752924 [0,2,0,0,0,0|2,0,0]=4 6013 B12R1.278 CC=Cc1ccnc(c1)OCC 271570a_100016259895_100009995528 [0,2,0,0,0,0|2,0,0]=4 6014 B12R1.278 CC=Cc1cncc(c1)OCC 271570a_100016259895_100012029586 [0,2,0,0,0,0|2,0,0]=4 6015 B12R1.278 CCCc1cccc(c1)CNC 26a_100102657272_100000039106 [0,2,0,0,0,0|2,0,0]=4 6016 B12R1.278 CCCc1cccc(c1)OCC 34a_100000039106_100000210202 [0,2,0,0,0,0|1,0,0]=3 6017 B12R1.278 CCCc1cccc(c1)OCC 7a_100000039106_100000210202 [0,2,0,0,0,0|1,0,0]=3 6018 B12R1.278 CCCc1cccc(c1)OCF 34a_100000039106_100015361967 [0,2,0,0,0,0|1,0,0]=3 6019 B12R1.278 CCCc1cccc(c1)OCF 7a_100000039106_100015361967 [0,2,0,0,0,0|1,0,0]=3 6020 B12R1.278 CCCc1cccc(c1)SCC 62a_100000210202_100000694964 [0,2,0,0,0,0|1,1,0]=4 6021 B12R1.278 CCCc1cccc(c1)SCC 62a_100000694964_100000210202 [0,2,0,0,0,0|1,1,0]=4 6022 B12R1.278 CCCc1cccc(c1)SCF 62a_100000694964_100015361967 [0,2,0,0,0,0|1,1,0]=4 6023 B12R1.278 CCCc1cccc(c1)SCF 62a_100015361967_100000694964 [0,2,0,0,0,0|1,1,0]=4 6024 B12R1.278 CCNc1cc(ccn1)OCC 27a_100015525214_100009995529 [0,2,0,0,0,0|2,0,0]=4 6025 B12R1.278 CCNc1cccc(c1)CCO 2230a_100011996697_100000210202 [0,2,0,0,0,0|2,0,0]=4 6026 B12R1.278 CCNc1cccc(c1)CCO 34a_100011996697_100000210202 [0,2,0,0,0,0|2,0,0]=4 6027 B12R1.278 CCNc1cccc(c1)COC 2230a_100000737370_100000210202 [0,2,0,0,0,0|1,0,0]=3 6028 B12R1.278 CCNc1cccc(c1)COC 34a_100000737370_100000210202 [0,2,0,0,0,0|1,0,0]=3 6029 B12R1.278 CCNc1cccc(c1)OCC 2230a_100000742568_100000210202 [0,2,0,0,0,0|1,0,0]=3 6030 B12R1.278 CCNc1cccc(c1)OCC 34a_100000717746_100000210202 [0,2,0,0,0,0|1,0,0]=3 6031 B12R1.278 CCNc1cccc(c1)OCC 34a_100000742568_100000210202 [0,2,0,0,0,0|1,0,0]=3 6032 B12R1.278 CCNc1cccc(c1)OCC 7a_100000717746_100000210202 [0,2,0,0,0,0|1,0,0]=3 6033 B12R1.278 CCNc1cccc(c1)OCF 34a_100000717746_100015361967 [0,2,0,0,0,0|1,0,0]=3 6034 B12R1.278 CCNc1cccc(c1)OCF 7a_100000717746_100015361967 [0,2,0,0,0,0|1,0,0]=3 6035 B12R1.278 CCNc1cccc(c1)SCC 62a_100000210202_100000738899 [0,2,0,0,0,0|1,1,0]=4 6036 B12R1.278 CCNc1cccc(c1)SCF 62a_100015361967_100000738899 [0,2,0,0,0,0|1,1,0]=4 6037 B12R1.278 CCOc1cc(ccn1)CNC 2230a_100160572661_200000210301 [0,2,0,0,0,0|2,0,0]=4 6038 B12R1.278 CCOc1cc(ccn1)CN[13CH3] 2230a_100160572661_200025704644 [0,2,0,0,0,0|2,0,0]=4 6039 B12R1.278 CCOc1cc(ccn1)SCC 62a_100000210202_100009995528 [0,2,0,0,0,0|1,1,0]=4 6040 B12R1.278 CCOc1cc(ccn1)SCC 62a_100009995528_100000210202 [0,2,0,0,0,0|1,1,0]=4 6041 B12R1.278 CCOc1cc(ccn1)SCF 62a_100009995528_100015361967 [0,2,0,0,0,0|1,1,0]=4 6042 B12R1.278 CCOc1cc(ccn1)SCF 62a_100015361967_100009995528 [0,2,0,0,0,0|1,1,0]=4 6043 B12R1.278 CCOc1cccc(c1)CC#N 7a_100000696680_100000210202 [0,2,0,0,0,0|1,0,1]=4 6044 B12R1.278 CCOc1cccc(c1)CCN 34a_100000747277_100000210202 [0,2,0,0,0,0|1,0,0]=3 6045 B12R1.278 CCOc1cccc(c1)CCO 34a_100011215281_100000210202 [0,2,0,0,0,0|1,0,0]=3 6046 B12R1.278 CCOc1cccc(c1)CCO 7a_100011215281_100000210202 [0,2,0,0,0,0|1,0,0]=3 6047 B12R1.278 CCOc1cccc(c1)CNC 207a_100102657272_100000170239 [0,2,0,0,0,0|1,0,0]=3 6048 B12R1.278 CCOc1cccc(c1)CNC 2230a_106359896916_200000210301 [0,2,0,0,0,0|1,0,0]=3 6049 B12R1.278 CCOc1cccc(c1)CNC 270004a_106832991635_100000170239 [0,2,0,0,0,0|1,0,0]=3 6050 B12R1.278 CCOc1cccc(c1)CNC 34a_100000207540_100000210202 [0,2,0,0,0,0|1,0,0]=3 6051 B12R1.278 CCOc1cccc(c1)CNC 34a_106359896916_200000210301 [0,2,0,0,0,0|1,0,0]=3 6052 B12R1.278 CCOc1cccc(c1)CNN 34a_100000008902_100000210202 [0,2,0,0,0,0|2,0,0]=4 6053 B12R1.278 CCOc1cccc(c1)CN[13CH3] 2230a_106359896916_200025704644 [0,2,0,0,0,0|1,0,0]=3 6054 B12R1.278 CCOc1cccc(c1)CN[13CH3] 34a_106359896916_200025704644 [0,2,0,0,0,0|1,0,0]=3 6055 B12R1.278 CCOc1cccc(c1)COC 34a_200011232711_200000210301 [0,2,0,0,0,0|0,0,0]=2 6056 B12R1.278 CCOc1cccc(c1)COC 7a_200011232711_200000210301 [0,2,0,0,0,0|0,0,0]=2 6057 B12R1.278 CCOc1cccc(c1)CO[13CH3] 34a_200011232711_200025704644 [0,2,0,0,0,0|0,0,0]=2 6058 B12R1.278 CCOc1cccc(c1)CO[13CH3] 7a_200011232711_200025704644 [0,2,0,0,0,0|0,0,0]=2 6059 B12R1.278 CCOc1cccc(c1)NCF 34a_100000742568_100015361967 [0,2,0,0,0,0|1,0,0]=3 6060 B12R1.278 CCOc1cccc(c1)OCC 34a_100011215941_100000210202 [0,2,0,0,0,0|0,0,0]=2 6061 B12R1.278 CCOc1cccc(c1)OCC 7a_100011215941_100000210202 [0,2,0,0,0,0|0,0,0]=2 6062 B12R1.278 CCOc1cccc(c1)OCF 34a_100011215941_100015361967 [0,2,0,0,0,0|0,0,0]=2 6063 B12R1.278 CCOc1cccc(c1)OCF 7a_100011215941_100015361967 [0,2,0,0,0,0|0,0,0]=2 6064 B12R1.278 CCOc1cccc(c1)SCC 62a_100000210202_100000170002 [0,2,0,0,0,0|0,1,0]=3 6065 B12R1.278 CCOc1cccc(c1)SCF 62a_100015361967_100000170002 [0,2,0,0,0,0|0,1,0]=3 6066 B12R1.278 CCOc1cccc(n1)SCC 62a_100000210202_100000752924 [0,2,0,0,0,0|1,1,0]=4 6067 B12R1.278 CCOc1cccc(n1)SCC 62a_100000752924_100000210202 [0,2,0,0,0,0|1,1,0]=4 6068 B12R1.278 CCOc1cccc(n1)SCF 62a_100000752924_100015361967 [0,2,0,0,0,0|1,1,0]=4 6069 B12R1.278 CCOc1cccc(n1)SCF 62a_100015361967_100000752924 [0,2,0,0,0,0|1,1,0]=4 6070 B12R1.278 CCOc1ccnc(c1)SCC 62a_100000210202_100011922638 [0,2,0,0,0,0|1,1,0]=4 6071 B12R1.278 CCOc1ccnc(c1)SCC 62a_100009995529_100000210202 [0,2,0,0,0,0|1,1,0]=4 6072 B12R1.278 CCOc1ccnc(c1)SCF 62a_100009995529_100015361967 [0,2,0,0,0,0|1,1,0]=4 6073 B12R1.278 CCOc1ccnc(c1)SCF 62a_100015361967_100011922638 [0,2,0,0,0,0|1,1,0]=4 6074 B12R1.278 CCOc1cncc(c1)SCC 62a_100000210202_100012029586 [0,2,0,0,0,0|1,1,0]=4 6075 B12R1.278 CCOc1cncc(c1)SCC 62a_100012029586_100000210202 [0,2,0,0,0,0|1,1,0]=4 6076 B12R1.278 CCOc1cncc(c1)SCF 62a_100012029586_100015361967 [0,2,0,0,0,0|1,1,0]=4 6077 B12R1.278 CCOc1cncc(c1)SCF 62a_100015361967_100012029586 [0,2,0,0,0,0|1,1,0]=4 6078 B12R1.278 CCSc1cccc(c1)CCN 62a_100000210202_100011207229 [0,2,0,0,0,0|1,1,0]=4 6079 B12R1.278 CCSc1cccc(c1)CCN 62a_100011207229_100000210202 [0,2,0,0,0,0|1,1,0]=4 6080 B12R1.278 CCSc1cccc(c1)CCO 62a_100000210202_100011217444 [0,2,0,0,0,0|1,1,0]=4 6081 B12R1.278 CCSc1cccc(c1)CCO 62a_100011217444_100000210202 [0,2,0,0,0,0|1,1,0]=4 6082 B12R1.278 CCSc1cccc(c1)CNC 62a_100000187585_100000210202 [0,2,0,0,0,0|1,1,0]=4 6083 B12R1.278 CCSc1cccc(c1)CNC 62a_100000210202_100000187585 [0,2,0,0,0,0|1,1,0]=4 6084 B12R1.278 CCSc1cccc(c1)COC 62a_100000210202_100011493687 [0,2,0,0,0,0|0,1,0]=3 6085 B12R1.278 CCSc1cccc(c1)COC 62a_100011493687_100000210202 [0,2,0,0,0,0|0,1,0]=3 6086 B12R1.278 CCSc1cccc(c1)SCC 62a_100000210202_100000703699 [0,2,0,0,0,0|0,2,0]=4 6087 B12R1.278 CCSc1cccc(c1)SCC 62a_100000703699_100000210202 [0,2,0,0,0,0|0,2,0]=4 6088 B12R1.278 CCSc1cccc(c1)SCF 62a_100000703699_100015361967 [0,2,0,0,0,0|0,2,0]=4 6089 B12R1.278 CCSc1cccc(c1)SCF 62a_100015361967_100000703699 [0,2,0,0,0,0|0,2,0]=4 6090 B12R1.278 CNCc1cccc(c1)CCO 26a_100102657272_100011215281 [0,2,0,0,0,0|2,0,0]=4 6091 B12R1.278 CNCc1cccc(c1)OCF 34a_100000207540_100015361967 [0,2,0,0,0,0|1,0,0]=3 6092 B12R1.278 CNCc1cccc(c1)SCF 62a_100000187585_100015361967 [0,2,0,0,0,0|1,1,0]=4 6093 B12R1.278 CNCc1cccc(c1)SCF 62a_100015361967_100000187585 [0,2,0,0,0,0|1,1,0]=4 6094 B12R1.278 COCc1cccc(c1)NCF 34a_100000737370_100015361967 [0,2,0,0,0,0|1,0,0]=3 6095 B12R1.278 COCc1cccc(c1)SCF 62a_100011493687_100015361967 [0,2,0,0,0,0|0,1,0]=3 6096 B12R1.278 COCc1cccc(c1)SCF 62a_100015361967_100011493687 [0,2,0,0,0,0|0,1,0]=3 6097 B12R1.278 N#CCc1cccc(c1)OCF 7a_100000696680_100015361967 [0,2,0,0,0,0|1,0,1]=4 6098 B12R1.278 NCCc1cccc(c1)OCF 34a_100000747277_100015361967 [0,2,0,0,0,0|1,0,0]=3 6099 B12R1.278 NCCc1cccc(c1)SCF 62a_100011207229_100015361967 [0,2,0,0,0,0|1,1,0]=4 6100 B12R1.278 NCCc1cccc(c1)SCF 62a_100015361967_100011207229 [0,2,0,0,0,0|1,1,0]=4 6101 B12R1.278 NNCc1cccc(c1)OCF 34a_100000008902_100015361967 [0,2,0,0,0,0|2,0,0]=4 6102 B12R1.278 OCCc1cccc(c1)NCF 34a_100011996697_100015361967 [0,2,0,0,0,0|2,0,0]=4 6103 B12R1.278 OCCc1cccc(c1)OCF 34a_100011215281_100015361967 [0,2,0,0,0,0|1,0,0]=3 6104 B12R1.278 OCCc1cccc(c1)OCF 7a_100011215281_100015361967 [0,2,0,0,0,0|1,0,0]=3 6105 B12R1.278 OCCc1cccc(c1)SCF 62a_100011217444_100015361967 [0,2,0,0,0,0|1,1,0]=4 6106 B12R1.278 OCCc1cccc(c1)SCF 62a_100015361967_100011217444 [0,2,0,0,0,0|1,1,0]=4 6107 B12R1.279 C=C(C)c1cc(ccn1)OCC 271570a_100000694244_100011922638 [0,2,0,0,0,0|2,0,0]=4 6108 B12R1.279 C=C(C)c1cccc(c1)C#CC 271570a_100000694244_200009843338 [0,2,0,0,0,0|2,0,0]=4 6109 B12R1.279 C=C(C)c1cccc(c1)C=CC 271570a_100016259895_100012123953 [0,2,0,0,0,0|2,0,0]=4 6110 B12R1.279 C=C(C)c1cccc(c1)CCC 271570a_100000694244_100000694964 [0,2,0,0,0,0|2,0,0]=4 6111 B12R1.279 C=C(C)c1cccc(c1)CCN 271570a_100000694244_100011207229 [0,2,0,0,0,0|2,0,0]=4 6112 B12R1.279 C=C(C)c1cccc(c1)CCO 271570a_100000694244_100011217444 [0,2,0,0,0,0|2,0,0]=4 6113 B12R1.279 C=C(C)c1cccc(c1)CNC 271570a_100000694244_100000187585 [0,2,0,0,0,0|2,0,0]=4 6114 B12R1.279 C=C(C)c1cccc(c1)COC 271570a_100000694244_100011493687 [0,2,0,0,0,0|1,0,0]=3 6115 B12R1.279 C=C(C)c1cccc(c1)NCC 271570a_100000694244_100000738899 [0,2,0,0,0,0|2,0,0]=4 6116 B12R1.279 C=C(C)c1cccc(c1)OCC 271570a_100000694244_100000170002 [0,2,0,0,0,0|1,0,0]=3 6117 B12R1.279 C=C(C)c1cccc(c1)SCC 271570a_100000694244_100000703699 [0,2,0,0,0,0|1,1,0]=4 6118 B12R1.279 C=C(C)c1cccc(c1)SCC 62a_100000210202_100012123953 [0,2,0,0,0,0|1,1,0]=4 6119 B12R1.279 C=C(C)c1cccc(c1)SCC 62a_100012123953_100000210202 [0,2,0,0,0,0|1,1,0]=4 6120 B12R1.279 C=C(C)c1cccc(c1)SCF 62a_100012123953_100015361967 [0,2,0,0,0,0|1,1,0]=4 6121 B12R1.279 C=C(C)c1cccc(c1)SCF 62a_100015361967_100012123953 [0,2,0,0,0,0|1,1,0]=4 6122 B12R1.279 C=C(C)c1cccc(n1)OCC 271570a_100000694244_100000752924 [0,2,0,0,0,0|2,0,0]=4 6123 B12R1.279 C=C(C)c1ccnc(c1)OCC 271570a_100000694244_100009995528 [0,2,0,0,0,0|2,0,0]=4 6124 B12R1.279 C=C(C)c1cncc(c1)OCC 271570a_100000694244_100012029586 [0,2,0,0,0,0|2,0,0]=4 6125 B12R1.279 CC(=O)c1cccc(c1)CCO 1458a_100009869812_200000210301 [0,2,0,0,0,0|2,0,0]=4 6126 B12R1.279 CC(=O)c1cccc(c1)CS[13CH3] 62a_100000084091_200025704644 [0,2,0,0,0,0|1,1,0]=4 6127 B12R1.279 CC(=O)c1cccc(c1)CS[13CH3] 62a_200025704644_100000084091 [0,2,0,0,0,0|1,1,0]=4 6128 B12R1.279 CC(=O)c1cccc(c1)OCF 34a_100000211620_100015361967 [0,2,0,0,0,0|1,0,0]=3 6129 B12R1.279 CC(=O)c1cccc(c1)OCF 7a_100000211620_100015361967 [0,2,0,0,0,0|1,0,0]=3 6130 B12R1.279 CC(=O)c1cccc(c1)SCF 62a_100000210093_100015361967 [0,2,0,0,0,0|1,1,0]=4 6131 B12R1.279 CC(=O)c1cccc(c1)SCF 62a_100015361967_100000210093 [0,2,0,0,0,0|1,1,0]=4 6132 B12R1.279 CC(C)c1cccc(c1)NCF 34a_100000211879_100015361967 [0,2,0,0,0,0|2,0,0]=4 6133 B12R1.279 CC(C)c1cccc(c1)NCF 7a_100000211879_100015361967 [0,2,0,0,0,0|2,0,0]=4 6134 B12R1.279 CC(C)c1cccc(c1)OCF 34a_100000211816_100015361967 [0,2,0,0,0,0|1,0,0]=3 6135 B12R1.279 CC(C)c1cccc(c1)OCF 7a_100000211816_100015361967 [0,2,0,0,0,0|1,0,0]=3 6136 B12R1.279 CC(C)c1cccc(c1)SCF 62a_100011214899_100015361967 [0,2,0,0,0,0|1,1,0]=4 6137 B12R1.279 CC(C)c1cccc(c1)SCF 62a_100015361967_100011214899 [0,2,0,0,0,0|1,1,0]=4 6138 B12R1.279 CC(N)c1cccc(c1)OCF 34a_100000740644_100015361967 [0,2,0,0,0,0|1,0,0]=3 6139 B12R1.279 CC(N)c1cccc(c1)OCF 7a_100000740644_100015361967 [0,2,0,0,0,0|1,0,0]=3 6140 B12R1.279 CC(N)c1cccc(c1)SCF 62a_100015361967_100020642005 [0,2,0,0,0,0|1,1,0]=4 6141 B12R1.279 CC(N)c1cccc(c1)SCF 62a_100020642005_100015361967 [0,2,0,0,0,0|1,1,0]=4 6142 B12R1.279 CC(O)c1cccc(c1)NCF 34a_100011217120_100015361967 [0,2,0,0,0,0|2,0,0]=4 6143 B12R1.279 CC(O)c1cccc(c1)OCF 34a_100000748013_100015361967 [0,2,0,0,0,0|1,0,0]=3 6144 B12R1.279 CC(O)c1cccc(c1)OCF 7a_100000748013_100015361967 [0,2,0,0,0,0|1,0,0]=3 6145 B12R1.279 CC(O)c1cccc(c1)SCF 62a_100000246457_100015361967 [0,2,0,0,0,0|1,1,0]=4 6146 B12R1.279 CC(O)c1cccc(c1)SCF 62a_100015361967_100000246457 [0,2,0,0,0,0|1,1,0]=4 6147 B12R1.279 CC=Cc1cccc(c1)C(=O)C 271570a_100016259895_100000210093 [0,2,0,0,0,0|2,0,0]=4 6148 B12R1.279 CC=Cc1cccc(c1)C(C)C 271570a_100016259895_100011214899 [0,2,0,0,0,0|2,0,0]=4 6149 B12R1.279 CC=Cc1cccc(c1)C(C)N 271570a_100016259895_100020642005 [0,2,0,0,0,0|2,0,0]=4 6150 B12R1.279 CC=Cc1cccc(c1)C(C)O 271570a_100016259895_100000246457 [0,2,0,0,0,0|2,0,0]=4 6151 B12R1.279 CC=Cc1cccc(c1)N(C)C 271570a_100016259895_100011215952 [0,2,0,0,0,0|2,0,0]=4 6152 B12R1.279 CC=Cc1cccc(c1)S(=O)C 271570a_100016259895_100009816267 [0,2,0,0,0,0|1,1,0]=4 6153 B12R1.279 CCNc1cccc(c1)C(C)C 2230a_100000211879_100000210202 [0,2,0,0,0,0|2,0,0]=4 6154 B12R1.279 CCNc1cccc(c1)C(C)C 34a_100000211879_100000210202 [0,2,0,0,0,0|2,0,0]=4 6155 B12R1.279 CCNc1cccc(c1)C(C)C 7a_100000211879_100000210202 [0,2,0,0,0,0|2,0,0]=4 6156 B12R1.279 CCNc1cccc(c1)C(C)O 2230a_100011217120_100000210202 [0,2,0,0,0,0|2,0,0]=4 6157 B12R1.279 CCNc1cccc(c1)C(C)O 34a_100011217120_100000210202 [0,2,0,0,0,0|2,0,0]=4 6158 B12R1.279 CCNc1cccc(c1)N(C)C 34a_100000209982_100000210202 [0,2,0,0,0,0|2,0,0]=4 6159 B12R1.279 CCOc1cccc(c1)C(=O)C 1458a_100000216331_200000210301 [0,2,0,0,0,0|1,0,0]=3 6160 B12R1.279 CCOc1cccc(c1)C(=O)C 34a_100000211620_100000210202 [0,2,0,0,0,0|1,0,0]=3 6161 B12R1.279 CCOc1cccc(c1)C(=O)C 7a_100000211620_100000210202 [0,2,0,0,0,0|1,0,0]=3 6162 B12R1.279 CCOc1cccc(c1)C(=O)N 34a_100000162170_100000210202 [0,2,0,0,0,0|2,0,0]=4 6163 B12R1.279 CCOc1cccc(c1)C(=O)N 7a_100000162170_100000210202 [0,2,0,0,0,0|2,0,0]=4 6164 B12R1.279 CCOc1cccc(c1)C(=O)[13CH3] 1458a_100000216331_200025704644 [0,2,0,0,0,0|1,0,0]=3 6165 B12R1.279 CCOc1cccc(c1)C(=S)N 7a_100000738086_100000210202 [0,2,0,0,0,0|2,0,0]=4 6166 B12R1.279 CCOc1cccc(c1)C(C)C 34a_100000211816_100000210202 [0,2,0,0,0,0|1,0,0]=3 6167 B12R1.279 CCOc1cccc(c1)C(C)C 7a_100000211816_100000210202 [0,2,0,0,0,0|1,0,0]=3 6168 B12R1.279 CCOc1cccc(c1)C(C)N 34a_100000740644_100000210202 [0,2,0,0,0,0|1,0,0]=3 6169 B12R1.279 CCOc1cccc(c1)C(C)N 7a_100000740644_100000210202 [0,2,0,0,0,0|1,0,0]=3 6170 B12R1.279 CCOc1cccc(c1)C(C)O 34a_100000748013_100000210202 [0,2,0,0,0,0|1,0,0]=3 6171 B12R1.279 CCOc1cccc(c1)C(C)O 7a_100000748013_100000210202 [0,2,0,0,0,0|1,0,0]=3 6172 B12R1.279 CCOc1cccc(c1)N(C)C 34a_100000738785_100000210202 [0,2,0,0,0,0|1,0,0]=3 6173 B12R1.279 CCOc1cccc(c1)[N+](=O)[O-] 34a_100000185994_100000210202 [0,2,0,0,0,0|2,0,0]=4 6174 B12R1.279 CCOc1cccc(c1)[N+](=O)[O-] 7a_100000185994_100000210202 [0,2,0,0,0,0|2,0,0]=4 6175 B12R1.279 CCOc1ccnc(c1)N(C)C 27a_100102631434_100009995529 [0,2,0,0,0,0|2,0,0]=4 6176 B12R1.279 CCSc1cccc(c1)C(=O)C 62a_100000210093_100000210202 [0,2,0,0,0,0|1,1,0]=4 6177 B12R1.279 CCSc1cccc(c1)C(=O)C 62a_100000210202_100000210093 [0,2,0,0,0,0|1,1,0]=4 6178 B12R1.279 CCSc1cccc(c1)C(C)C 62a_100000210202_100011214899 [0,2,0,0,0,0|1,1,0]=4 6179 B12R1.279 CCSc1cccc(c1)C(C)C 62a_100011214899_100000210202 [0,2,0,0,0,0|1,1,0]=4 6180 B12R1.279 CCSc1cccc(c1)C(C)N 62a_100000210202_100020642005 [0,2,0,0,0,0|1,1,0]=4 6181 B12R1.279 CCSc1cccc(c1)C(C)N 62a_100020642005_100000210202 [0,2,0,0,0,0|1,1,0]=4 6182 B12R1.279 CCSc1cccc(c1)C(C)O 62a_100000210202_100000246457 [0,2,0,0,0,0|1,1,0]=4 6183 B12R1.279 CCSc1cccc(c1)C(C)O 62a_100000246457_100000210202 [0,2,0,0,0,0|1,1,0]=4 6184 B12R1.279 CCSc1cccc(c1)N(C)C 62a_100000210202_100011215952 [0,2,0,0,0,0|1,1,0]=4 6185 B12R1.279 CCSc1cccc(c1)N(C)C 62a_100011215952_100000210202 [0,2,0,0,0,0|1,1,0]=4 6186 B12R1.279 CCSc1cccc(c1)S(=O)C 62a_100000210202_100009816267 [0,2,0,0,0,0|0,2,0]=4 6187 B12R1.279 CCSc1cccc(c1)S(=O)C 62a_100009816267_100000210202 [0,2,0,0,0,0|0,2,0]=4 6188 B12R1.279 CN(C)c1cccc(c1)CO[13CH3] 34a_100000759682_200025704644 [0,2,0,0,0,0|1,0,0]=3 6189 B12R1.279 CN(C)c1cccc(c1)NCF 34a_100000209982_100015361967 [0,2,0,0,0,0|2,0,0]=4 6190 B12R1.279 CN(C)c1cccc(c1)OCF 34a_100000738785_100015361967 [0,2,0,0,0,0|1,0,0]=3 6191 B12R1.279 CN(C)c1cccc(c1)SCF 62a_100011215952_100015361967 [0,2,0,0,0,0|1,1,0]=4 6192 B12R1.279 CN(C)c1cccc(c1)SCF 62a_100015361967_100011215952 [0,2,0,0,0,0|1,1,0]=4 6193 B12R1.279 CNCc1cccc(c1)C(=O)C 2230a_106832991635_100000084091 [0,2,0,0,0,0|2,0,0]=4 6194 B12R1.279 CNCc1cccc(c1)C(=O)C 26a_100102657272_100000211620 [0,2,0,0,0,0|2,0,0]=4 6195 B12R1.279 CNCc1cccc(c1)C(=O)C 34a_100102657272_100000084091 [0,2,0,0,0,0|2,0,0]=4 6196 B12R1.279 CNCc1cccc(c1)C(=O)C 7a_106832991635_100000084091 [0,2,0,0,0,0|2,0,0]=4 6197 B12R1.279 CNCc1cccc(c1)C(C)C 207a_100102657272_100011935327 [0,2,0,0,0,0|2,0,0]=4 6198 B12R1.279 CNCc1cccc(c1)C(C)C 26a_100102657272_100000211816 [0,2,0,0,0,0|2,0,0]=4 6199 B12R1.279 CNCc1cccc(c1)C(C)C 270004a_106832991635_100011935327 [0,2,0,0,0,0|2,0,0]=4 6200 B12R1.279 CNCc1cccc(c1)C(C)O 26a_100102657272_100000748013 [0,2,0,0,0,0|2,0,0]=4 6201 B12R1.279 CNCc1cccc(c1)N(C)C 207a_100102657272_100011794417 [0,2,0,0,0,0|2,0,0]=4 6202 B12R1.279 CNCc1cccc(c1)N(C)C 270004a_106832991635_100011794417 [0,2,0,0,0,0|2,0,0]=4 6203 B12R1.279 COCc1cccc(c1)B(O)O 34a_100138415774_100009814088 [0,2,0,0,0,0|2,0,0]=4 6204 B12R1.279 COCc1cccc(c1)C(=O)C 1458a_100000199024_200000210301 [0,2,0,0,0,0|1,0,0]=3 6205 B12R1.279 COCc1cccc(c1)C(=O)C 34a_100138415774_100000084091 [0,2,0,0,0,0|1,0,0]=3 6206 B12R1.279 COCc1cccc(c1)C(=O)N 34a_100138415774_100000738444 [0,2,0,0,0,0|2,0,0]=4 6207 B12R1.279 COCc1cccc(c1)C(=O)[13CH3] 1458a_100000199024_200025704644 [0,2,0,0,0,0|1,0,0]=3 6208 B12R1.279 COCc1cccc(c1)C(F)F 34a_100000723161_200000210301 [0,2,0,0,0,0|2,0,0]=4 6209 B12R1.279 COCc1cccc(c1)C(F)F 34a_100138415774_100012343606 [0,2,0,0,0,0|2,0,0]=4 6210 B12R1.279 COCc1cccc(c1)C(F)F 7a_100000723161_200000210301 [0,2,0,0,0,0|2,0,0]=4 6211 B12R1.279 COCc1cccc(c1)N(C)C 34a_100000759682_200000210301 [0,2,0,0,0,0|1,0,0]=3 6212 B12R1.279 COCc1cccc(c1)[N+](=O)[O-] 34a_100000238370_200000210301 [0,2,0,0,0,0|2,0,0]=4 6213 B12R1.279 COCc1cccc(c1)[N+](=O)[O-] 34a_100138415774_100000737091 [0,2,0,0,0,0|2,0,0]=4 6214 B12R1.279 COCc1cccc(c1)[N+](=O)[O-] 7a_100000238370_200000210301 [0,2,0,0,0,0|2,0,0]=4 6215 B12R1.279 CS(=O)c1cccc(c1)SCF 62a_100009816267_100015361967 [0,2,0,0,0,0|0,2,0]=4 6216 B12R1.279 CS(=O)c1cccc(c1)SCF 62a_100015361967_100009816267 [0,2,0,0,0,0|0,2,0]=4 6217 B12R1.279 CSCc1cccc(c1)C(=O)C 62a_100000084091_200000210301 [0,2,0,0,0,0|1,1,0]=4 6218 B12R1.279 CSCc1cccc(c1)C(=O)C 62a_200000210301_100000084091 [0,2,0,0,0,0|1,1,0]=4 6219 B12R1.279 NC(=O)c1cccc(c1)OCF 34a_100000162170_100015361967 [0,2,0,0,0,0|2,0,0]=4 6220 B12R1.279 NC(=O)c1cccc(c1)OCF 7a_100000162170_100015361967 [0,2,0,0,0,0|2,0,0]=4 6221 B12R1.279 NC(=S)c1cccc(c1)OCF 7a_100000738086_100015361967 [0,2,0,0,0,0|2,0,0]=4 6222 B12R1.279 O=[N+]([O-])c1cccc(c1)OCF 34a_100000185994_100015361967 [0,2,0,0,0,0|2,0,0]=4 6223 B12R1.279 O=[N+]([O-])c1cccc(c1)OCF 7a_100000185994_100015361967 [0,2,0,0,0,0|2,0,0]=4 6224 B12R1.279 [13CH3]C(=O)c1cccc(c1)CCO 1458a_100009869812_200025704644 [0,2,0,0,0,0|2,0,0]=4 6225 B12R1.279 [13CH3]OCc1cccc(c1)C(F)F 34a_100000723161_200025704644 [0,2,0,0,0,0|2,0,0]=4 6226 B12R1.279 [13CH3]OCc1cccc(c1)C(F)F 7a_100000723161_200025704644 [0,2,0,0,0,0|2,0,0]=4 6227 B12R1.279 [13CH3]OCc1cccc(c1)[N+](=O)[O-] 34a_100000238370_200025704644 [0,2,0,0,0,0|2,0,0]=4 6228 B12R1.279 [13CH3]OCc1cccc(c1)[N+](=O)[O-] 7a_100000238370_200025704644 [0,2,0,0,0,0|2,0,0]=4 6229 B12R1.280 C=C=Cc1cccc(c1C)OC 271570a_100015277604_100010002647 [0,2,0,0,0,0|1,0,1]=4 6230 B12R1.280 C=C=Cc1cccc(c1Cl)OC 271570a_100015277604_100010147677 [0,2,0,0,0,0|1,0,1]=4 6231 B12R1.280 C=C=Cc1cccc(c1F)OC 271570a_100015277604_100010185846 [0,2,0,0,0,0|1,0,1]=4 6232 B12R1.280 C=C=Cc1cccc(c1N)OC 271570a_100015277604_100000708083 [0,2,0,0,0,0|1,0,1]=4 6233 B12R1.280 C=C=Cc1cccc(c1O)OC 271570a_100015277604_100000686866 [0,2,0,0,0,0|1,0,1]=4 6234 B12R1.280 C=Cc1cccc(c1C)COC 271570a_100011290941_100102485947 [0,2,0,0,0,0|1,0,1]=4 6235 B12R1.280 C=Cc1cccc(c1N)OCC 271570a_100011290941_200103155331 [0,2,0,0,0,0|1,0,1]=4 6236 B12R1.280 CC=Cc1cccc(c1C)OC 271570a_100016259895_100010002647 [0,2,0,0,0,0|1,0,0]=3 6237 B12R1.280 CC=Cc1cccc(c1Cl)OC 271570a_100016259895_100010147677 [0,2,0,0,0,0|1,0,0]=3 6238 B12R1.280 CC=Cc1cccc(c1F)OC 271570a_100016259895_100010185846 [0,2,0,0,0,0|1,0,0]=3 6239 B12R1.280 CC=Cc1cccc(c1N)NC 271570a_100016259895_100000695761 [0,2,0,0,0,0|2,0,0]=4 6240 B12R1.280 CC=Cc1cccc(c1N)OC 271570a_100016259895_100000708083 [0,2,0,0,0,0|1,0,0]=3 6241 B12R1.280 CC=Cc1cccc(c1O)CC 271570a_100016259895_200010001580 [0,2,0,0,0,0|2,0,0]=4 6242 B12R1.280 CC=Cc1cccc(c1O)OC 271570a_100016259895_100000686866 [0,2,0,0,0,0|1,0,0]=3 6243 B12R1.280 CC=Cc1ccnc(c1C)OC 271570a_100016259895_100010068544 [0,2,0,0,0,0|2,0,0]=4 6244 B12R1.280 CC=Cc1ccnc(c1F)OC 271570a_100016259895_100009885657 [0,2,0,0,0,0|2,0,0]=4 6245 B12R1.280 CC=Cc1cncc(c1C)OC 271570a_100016259895_100010136163 [0,2,0,0,0,0|2,0,0]=4 6246 B12R1.280 CC=Cc1nccc(c1C)OC 271570a_100016259895_100010067686 [0,2,0,0,0,0|2,0,0]=4 6247 B12R1.280 CC=Cc1nccc(c1F)OC 271570a_100016259895_200010136267 [0,2,0,0,0,0|2,0,0]=4 6248 B12R1.280 CC=Cc1nccc(c1N)OC 271570a_100016259895_100000100113 [0,2,0,0,0,0|2,0,0]=4 6249 B12R1.280 CCNc1cccc(c1Br)OC 34a_100000703447_100000210202 [0,2,0,0,0,0|1,0,0]=3 6250 B12R1.280 CCNc1cccc(c1C)OC 34a_100011244893_100000210202 [0,2,0,0,0,0|1,0,0]=3 6251 B12R1.280 CCNc1cccc(c1C)OC 7a_100011244893_100000210202 [0,2,0,0,0,0|1,0,0]=3 6252 B12R1.280 CCNc1cccc(c1Cl)OC 34a_100000089720_100000210202 [0,2,0,0,0,0|1,0,0]=3 6253 B12R1.280 CCNc1cccc(c1F)OC 34a_100000100910_100000210202 [0,2,0,0,0,0|1,0,0]=3 6254 B12R1.280 CCNc1cccc(c1I)OC 34a_100010245509_100000210202 [0,2,0,0,0,0|1,0,0]=3 6255 B12R1.280 CCNc1cccc(c1O)OC 34a_100000123586_100000210202 [0,2,0,0,0,0|1,0,0]=3 6256 B12R1.280 CCOc1cccc(c1Br)C#N 34a_100009818990_100000210202 [0,2,0,0,0,0|2,0,0]=4 6257 B12R1.280 CCOc1cccc(c1Br)C#N 7a_100009818990_100000210202 [0,2,0,0,0,0|2,0,0]=4 6258 B12R1.280 CCOc1cccc(c1Br)OC 34a_100010202623_100000210202 [0,2,0,0,0,0|0,0,0]=2 6259 B12R1.280 CCOc1cccc(c1Br)OC 7a_100010202623_100000210202 [0,2,0,0,0,0|0,0,0]=2 6260 B12R1.280 CCOc1cccc(c1C)C#N 34a_100000079589_100000210202 [0,2,0,0,0,0|2,0,0]=4 6261 B12R1.280 CCOc1cccc(c1C)C#N 7a_100000079589_100000210202 [0,2,0,0,0,0|2,0,0]=4 6262 B12R1.280 CCOc1cccc(c1C)CO 34a_200000084602_100000210202 [0,2,0,0,0,0|2,0,0]=4 6263 B12R1.280 CCOc1cccc(c1C)CO 7a_200000084602_100000210202 [0,2,0,0,0,0|2,0,0]=4 6264 B12R1.280 CCOc1cccc(c1Cl)C#N 34a_200009871651_100000210202 [0,2,0,0,0,0|2,0,0]=4 6265 B12R1.280 CCOc1cccc(c1Cl)C#N 7a_200009871651_100000210202 [0,2,0,0,0,0|2,0,0]=4 6266 B12R1.280 CCOc1cccc(c1Cl)OC 34a_100000087810_100000210202 [0,2,0,0,0,0|0,0,0]=2 6267 B12R1.280 CCOc1cccc(c1Cl)OC 7a_100000087810_100000210202 [0,2,0,0,0,0|0,0,0]=2 6268 B12R1.280 CCOc1cccc(c1F)C#N 34a_200000094591_100000210202 [0,2,0,0,0,0|2,0,0]=4 6269 B12R1.280 CCOc1cccc(c1F)C#N 7a_200000094591_100000210202 [0,2,0,0,0,0|2,0,0]=4 6270 B12R1.280 CCOc1cccc(c1F)CN 34a_100025773512_100000210202 [0,2,0,0,0,0|2,0,0]=4 6271 B12R1.280 CCOc1cccc(c1F)OC 34a_100000102366_100000210202 [0,2,0,0,0,0|0,0,0]=2 6272 B12R1.280 CCOc1cccc(c1F)OC 7a_100000102366_100000210202 [0,2,0,0,0,0|0,0,0]=2 6273 B12R1.280 CCOc1cccc(c1I)OC 34a_200010201982_100000210202 [0,2,0,0,0,0|0,0,0]=2 6274 B12R1.280 CCOc1cccc(c1I)OC 7a_200010201982_100000210202 [0,2,0,0,0,0|0,0,0]=2 6275 B12R1.280 CCOc1cccc(c1N)OC 34a_100012022766_100000210202 [0,2,0,0,0,0|0,0,0]=2 6276 B12R1.280 CCOc1cccc(c1N)OC 7a_100012022766_100000210202 [0,2,0,0,0,0|0,0,0]=2 6277 B12R1.280 CCOc1cccc(c1N)SC 62a_200103155331_200000210301 [0,2,0,0,0,0|0,1,0]=3 6278 B12R1.280 CCOc1cccc(c1N)S[13CH3] 62a_200103155331_200025704644 [0,2,0,0,0,0|0,1,0]=3 6279 B12R1.280 CCSc1cccc(c1Br)OC 62a_100000210202_100010146559 [0,2,0,0,0,0|0,1,0]=3 6280 B12R1.280 CCSc1cccc(c1Br)OC 62a_100010146559_100000210202 [0,2,0,0,0,0|0,1,0]=3 6281 B12R1.280 CCSc1cccc(c1C)OC 62a_100000210202_100010002647 [0,2,0,0,0,0|0,1,0]=3 6282 B12R1.280 CCSc1cccc(c1C)OC 62a_100010002647_100000210202 [0,2,0,0,0,0|0,1,0]=3 6283 B12R1.280 CCSc1cccc(c1Cl)OC 62a_100000210202_100010147677 [0,2,0,0,0,0|0,1,0]=3 6284 B12R1.280 CCSc1cccc(c1Cl)OC 62a_100010147677_100000210202 [0,2,0,0,0,0|0,1,0]=3 6285 B12R1.280 CCSc1cccc(c1F)OC 62a_100000210202_100010185846 [0,2,0,0,0,0|0,1,0]=3 6286 B12R1.280 CCSc1cccc(c1F)OC 62a_100010185846_100000210202 [0,2,0,0,0,0|0,1,0]=3 6287 B12R1.280 CCSc1cccc(c1N)NC 62a_100000695761_100000210202 [0,2,0,0,0,0|1,1,0]=4 6288 B12R1.280 CCSc1cccc(c1N)OC 62a_100000708083_100000210202 [0,2,0,0,0,0|0,1,0]=3 6289 B12R1.280 CCSc1cccc(c1O)CC 62a_100000210202_200010001580 [0,2,0,0,0,0|1,1,0]=4 6290 B12R1.280 CCSc1cccc(c1O)CC 62a_200010001580_100000210202 [0,2,0,0,0,0|1,1,0]=4 6291 B12R1.280 CCSc1cccc(c1O)OC 62a_100000210202_100000686866 [0,2,0,0,0,0|0,1,0]=3 6292 B12R1.280 CCSc1ccnc(c1C)OC 62a_100000210202_100010068544 [0,2,0,0,0,0|1,1,0]=4 6293 B12R1.280 CCSc1ccnc(c1C)OC 62a_100010068544_100000210202 [0,2,0,0,0,0|1,1,0]=4 6294 B12R1.280 CCSc1ccnc(c1F)OC 62a_100000210202_100009885657 [0,2,0,0,0,0|1,1,0]=4 6295 B12R1.280 CCSc1ccnc(c1F)OC 62a_100009885657_100000210202 [0,2,0,0,0,0|1,1,0]=4 6296 B12R1.280 CCSc1cncc(c1C)OC 62a_100000210202_100010136163 [0,2,0,0,0,0|1,1,0]=4 6297 B12R1.280 CCSc1cncc(c1C)OC 62a_100010136163_100000210202 [0,2,0,0,0,0|1,1,0]=4 6298 B12R1.280 CCSc1nccc(c1C)OC 62a_100000210202_100010067686 [0,2,0,0,0,0|1,1,0]=4 6299 B12R1.280 CCSc1nccc(c1C)OC 62a_100010067686_100000210202 [0,2,0,0,0,0|1,1,0]=4 6300 B12R1.280 CCSc1nccc(c1F)OC 62a_100000210202_200010136267 [0,2,0,0,0,0|1,1,0]=4 6301 B12R1.280 CCSc1nccc(c1F)OC 62a_200010136267_100000210202 [0,2,0,0,0,0|1,1,0]=4 6302 B12R1.280 CCSc1nccc(c1N)OC 62a_100000210202_100000100113 [0,2,0,0,0,0|1,1,0]=4 6303 B12R1.280 CCSc1nccc(c1N)OC 62a_100010233645_100000210202 [0,2,0,0,0,0|1,1,0]=4 6304 B12R1.280 CCc1cccc(c1O)SCF 62a_100015361967_200010001580 [0,2,0,0,0,0|1,1,0]=4 6305 B12R1.280 CCc1cccc(c1O)SCF 62a_200010001580_100015361967 [0,2,0,0,0,0|1,1,0]=4 6306 B12R1.280 CNCc1cccc(c1Br)OC 207a_100102657272_100010209554 [0,2,0,0,0,0|1,0,0]=3 6307 B12R1.280 CNCc1cccc(c1Br)OC 26a_100102657272_100010202623 [0,2,0,0,0,0|1,0,0]=3 6308 B12R1.280 CNCc1cccc(c1Br)OC 270004a_106832991635_100010209554 [0,2,0,0,0,0|1,0,0]=3 6309 B12R1.280 CNCc1cccc(c1C)OC 207a_100102657272_100000101217 [0,2,0,0,0,0|1,0,0]=3 6310 B12R1.280 CNCc1cccc(c1C)OC 2230a_106832991635_100009876938 [0,2,0,0,0,0|1,0,0]=3 6311 B12R1.280 CNCc1cccc(c1C)OC 270004a_106832991635_100000101217 [0,2,0,0,0,0|1,0,0]=3 6312 B12R1.280 CNCc1cccc(c1C)OC 34a_100102657272_100009876938 [0,2,0,0,0,0|1,0,0]=3 6313 B12R1.280 CNCc1cccc(c1C)OC 7a_106832991635_100009876938 [0,2,0,0,0,0|1,0,0]=3 6314 B12R1.280 CNCc1cccc(c1Cl)OC 207a_100102657272_100000068750 [0,2,0,0,0,0|1,0,0]=3 6315 B12R1.280 CNCc1cccc(c1Cl)OC 2230a_106832991635_200010147866 [0,2,0,0,0,0|1,0,0]=3 6316 B12R1.280 CNCc1cccc(c1Cl)OC 26a_100102657272_100000087810 [0,2,0,0,0,0|1,0,0]=3 6317 B12R1.280 CNCc1cccc(c1Cl)OC 270004a_106832991635_100000068750 [0,2,0,0,0,0|1,0,0]=3 6318 B12R1.280 CNCc1cccc(c1Cl)OC 34a_100102657272_200010147866 [0,2,0,0,0,0|1,0,0]=3 6319 B12R1.280 CNCc1cccc(c1Cl)OC 7a_106832991635_200010147866 [0,2,0,0,0,0|1,0,0]=3 6320 B12R1.280 CNCc1cccc(c1F)OC 207a_100102657272_100000692048 [0,2,0,0,0,0|1,0,0]=3 6321 B12R1.280 CNCc1cccc(c1F)OC 2230a_106832991635_100011260763 [0,2,0,0,0,0|1,0,0]=3 6322 B12R1.280 CNCc1cccc(c1F)OC 270004a_106832991635_100000692048 [0,2,0,0,0,0|1,0,0]=3 6323 B12R1.280 CNCc1cccc(c1F)OC 34a_100102657272_100011260763 [0,2,0,0,0,0|1,0,0]=3 6324 B12R1.280 CNCc1cccc(c1F)OC 34a_100137345169_200000210301 [0,2,0,0,0,0|1,0,0]=3 6325 B12R1.280 CNCc1cccc(c1F)OC 7a_106832991635_100011260763 [0,2,0,0,0,0|1,0,0]=3 6326 B12R1.280 CNCc1cccc(c1F)SC 62a_114873767014_200000210301 [0,2,0,0,0,0|1,1,0]=4 6327 B12R1.280 CNCc1cccc(c1F)SC 62a_200000210301_114873767014 [0,2,0,0,0,0|1,1,0]=4 6328 B12R1.280 CNCc1cccc(c1F)S[13CH3] 62a_114873767014_200025704644 [0,2,0,0,0,0|1,1,0]=4 6329 B12R1.280 CNCc1cccc(c1F)S[13CH3] 62a_200025704644_114873767014 [0,2,0,0,0,0|1,1,0]=4 6330 B12R1.280 CNCc1ccnc(c1Cl)OC 207a_100102657272_200000087872 [0,2,0,0,0,0|2,0,0]=4 6331 B12R1.280 CNCc1ccnc(c1Cl)OC 270004a_106832991635_200000087872 [0,2,0,0,0,0|2,0,0]=4 6332 B12R1.280 CNCc1nccc(c1C)OC 2230a_106832991635_100016994983 [0,2,0,0,0,0|2,0,0]=4 6333 B12R1.280 CNCc1nccc(c1C)OC 34a_100102657272_100016994983 [0,2,0,0,0,0|2,0,0]=4 6334 B12R1.280 CNCc1nccc(c1C)OC 7a_106832991635_100016994983 [0,2,0,0,0,0|2,0,0]=4 6335 B12R1.280 CNc1cccc(c1N)SCF 62a_100000695761_100015361967 [0,2,0,0,0,0|1,1,0]=4 6336 B12R1.280 COCc1cccc(c1Br)C#N 34a_100138415774_100010145452 [0,2,0,0,0,0|2,0,0]=4 6337 B12R1.280 COCc1cccc(c1Br)OC 34a_100010146792_200000210301 [0,2,0,0,0,0|0,0,0]=2 6338 B12R1.280 COCc1cccc(c1Br)OC 7a_100010146792_200000210301 [0,2,0,0,0,0|0,0,0]=2 6339 B12R1.280 COCc1cccc(c1C)OC 34a_100009871736_200000210301 [0,2,0,0,0,0|0,0,0]=2 6340 B12R1.280 COCc1cccc(c1C)OC 34a_100138415774_100009876938 [0,2,0,0,0,0|0,0,0]=2 6341 B12R1.280 COCc1cccc(c1C)OC 7a_100009871736_200000210301 [0,2,0,0,0,0|0,0,0]=2 6342 B12R1.280 COCc1cccc(c1C)SC 62a_100102485947_200000210301 [0,2,0,0,0,0|0,1,0]=3 6343 B12R1.280 COCc1cccc(c1C)SC 62a_200000210301_100102485947 [0,2,0,0,0,0|0,1,0]=3 6344 B12R1.280 COCc1cccc(c1C)S[13CH3] 62a_100102485947_200025704644 [0,2,0,0,0,0|0,1,0]=3 6345 B12R1.280 COCc1cccc(c1C)S[13CH3] 62a_200025704644_100102485947 [0,2,0,0,0,0|0,1,0]=3 6346 B12R1.280 COCc1cccc(c1Cl)OC 34a_100138415774_200010147866 [0,2,0,0,0,0|0,0,0]=2 6347 B12R1.280 COCc1cccc(c1F)C#N 34a_100012181476_200000210301 [0,2,0,0,0,0|2,0,0]=4 6348 B12R1.280 COCc1cccc(c1F)C#N 34a_100138415774_100000695645 [0,2,0,0,0,0|2,0,0]=4 6349 B12R1.280 COCc1cccc(c1F)C#N 7a_100012181476_200000210301 [0,2,0,0,0,0|2,0,0]=4 6350 B12R1.280 COCc1cccc(c1F)OC 34a_100011935170_200000210301 [0,2,0,0,0,0|0,0,0]=2 6351 B12R1.280 COCc1cccc(c1F)OC 34a_100138415774_100011260763 [0,2,0,0,0,0|0,0,0]=2 6352 B12R1.280 COCc1cccc(c1F)OC 7a_100011935170_200000210301 [0,2,0,0,0,0|0,0,0]=2 6353 B12R1.280 COCc1cccc(c1I)OC 34a_100010236476_200000210301 [0,2,0,0,0,0|0,0,0]=2 6354 B12R1.280 COCc1cccc(c1I)OC 7a_100010236476_200000210301 [0,2,0,0,0,0|0,0,0]=2 6355 B12R1.280 COCc1cccc(c1N)OC 34a_100011999522_200000210301 [0,2,0,0,0,0|0,0,0]=2 6356 B12R1.280 COCc1ccnc(c1Cl)OC 34a_100009844655_200000210301 [0,2,0,0,0,0|1,0,0]=3 6357 B12R1.280 COCc1nccc(c1C)OC 34a_100000087669_200000210301 [0,2,0,0,0,0|1,0,0]=3 6358 B12R1.280 COCc1nccc(c1C)OC 34a_100138415774_100016994983 [0,2,0,0,0,0|1,0,0]=3 6359 B12R1.280 COc1cccc(c1Br)CO[13CH3] 34a_100010146792_200025704644 [0,2,0,0,0,0|0,0,0]=2 6360 B12R1.280 COc1cccc(c1Br)CO[13CH3] 7a_100010146792_200025704644 [0,2,0,0,0,0|0,0,0]=2 6361 B12R1.280 COc1cccc(c1Br)NCF 34a_100000703447_100015361967 [0,2,0,0,0,0|1,0,0]=3 6362 B12R1.280 COc1cccc(c1Br)OCF 34a_100010202623_100015361967 [0,2,0,0,0,0|0,0,0]=2 6363 B12R1.280 COc1cccc(c1Br)OCF 7a_100010202623_100015361967 [0,2,0,0,0,0|0,0,0]=2 6364 B12R1.280 COc1cccc(c1Br)SCF 62a_100010146559_100015361967 [0,2,0,0,0,0|0,1,0]=3 6365 B12R1.280 COc1cccc(c1Br)SCF 62a_100015361967_100010146559 [0,2,0,0,0,0|0,1,0]=3 6366 B12R1.280 COc1cccc(c1C)CO[13CH3] 34a_100009871736_200025704644 [0,2,0,0,0,0|0,0,0]=2 6367 B12R1.280 COc1cccc(c1C)CO[13CH3] 7a_100009871736_200025704644 [0,2,0,0,0,0|0,0,0]=2 6368 B12R1.280 COc1cccc(c1C)CSC 62a_100009876938_200000210301 [0,2,0,0,0,0|0,1,0]=3 6369 B12R1.280 COc1cccc(c1C)CSC 62a_200000210301_100009876938 [0,2,0,0,0,0|0,1,0]=3 6370 B12R1.280 COc1cccc(c1C)CS[13CH3] 62a_100009876938_200025704644 [0,2,0,0,0,0|0,1,0]=3 6371 B12R1.280 COc1cccc(c1C)CS[13CH3] 62a_200025704644_100009876938 [0,2,0,0,0,0|0,1,0]=3 6372 B12R1.280 COc1cccc(c1C)NCF 34a_100011244893_100015361967 [0,2,0,0,0,0|1,0,0]=3 6373 B12R1.280 COc1cccc(c1C)NCF 7a_100011244893_100015361967 [0,2,0,0,0,0|1,0,0]=3 6374 B12R1.280 COc1cccc(c1C)SCF 62a_100010002647_100015361967 [0,2,0,0,0,0|0,1,0]=3 6375 B12R1.280 COc1cccc(c1C)SCF 62a_100015361967_100010002647 [0,2,0,0,0,0|0,1,0]=3 6376 B12R1.280 COc1cccc(c1Cl)CSC 62a_200000210301_200010147866 [0,2,0,0,0,0|0,1,0]=3 6377 B12R1.280 COc1cccc(c1Cl)CSC 62a_200010147866_200000210301 [0,2,0,0,0,0|0,1,0]=3 6378 B12R1.280 COc1cccc(c1Cl)CS[13CH3] 62a_200010147866_200025704644 [0,2,0,0,0,0|0,1,0]=3 6379 B12R1.280 COc1cccc(c1Cl)CS[13CH3] 62a_200025704644_200010147866 [0,2,0,0,0,0|0,1,0]=3 6380 B12R1.280 COc1cccc(c1Cl)NCF 34a_100000089720_100015361967 [0,2,0,0,0,0|1,0,0]=3 6381 B12R1.280 COc1cccc(c1Cl)OCF 34a_100000087810_100015361967 [0,2,0,0,0,0|0,0,0]=2 6382 B12R1.280 COc1cccc(c1Cl)OCF 7a_100000087810_100015361967 [0,2,0,0,0,0|0,0,0]=2 6383 B12R1.280 COc1cccc(c1Cl)SCF 62a_100010147677_100015361967 [0,2,0,0,0,0|0,1,0]=3 6384 B12R1.280 COc1cccc(c1Cl)SCF 62a_100015361967_100010147677 [0,2,0,0,0,0|0,1,0]=3 6385 B12R1.280 COc1cccc(c1F)CN[13CH3] 34a_100137345169_200025704644 [0,2,0,0,0,0|1,0,0]=3 6386 B12R1.280 COc1cccc(c1F)CO[13CH3] 34a_100011935170_200025704644 [0,2,0,0,0,0|0,0,0]=2 6387 B12R1.280 COc1cccc(c1F)CO[13CH3] 7a_100011935170_200025704644 [0,2,0,0,0,0|0,0,0]=2 6388 B12R1.280 COc1cccc(c1F)CSC 62a_100011260763_200000210301 [0,2,0,0,0,0|0,1,0]=3 6389 B12R1.280 COc1cccc(c1F)CSC 62a_200000210301_100011260763 [0,2,0,0,0,0|0,1,0]=3 6390 B12R1.280 COc1cccc(c1F)CS[13CH3] 62a_100011260763_200025704644 [0,2,0,0,0,0|0,1,0]=3 6391 B12R1.280 COc1cccc(c1F)CS[13CH3] 62a_200025704644_100011260763 [0,2,0,0,0,0|0,1,0]=3 6392 B12R1.280 COc1cccc(c1F)NCF 34a_100000100910_100015361967 [0,2,0,0,0,0|1,0,0]=3 6393 B12R1.280 COc1cccc(c1F)OCF 34a_100000102366_100015361967 [0,2,0,0,0,0|0,0,0]=2 6394 B12R1.280 COc1cccc(c1F)OCF 7a_100000102366_100015361967 [0,2,0,0,0,0|0,0,0]=2 6395 B12R1.280 COc1cccc(c1F)SCF 62a_100010185846_100015361967 [0,2,0,0,0,0|0,1,0]=3 6396 B12R1.280 COc1cccc(c1F)SCF 62a_100015361967_100010185846 [0,2,0,0,0,0|0,1,0]=3 6397 B12R1.280 COc1cccc(c1I)CO[13CH3] 34a_100010236476_200025704644 [0,2,0,0,0,0|0,0,0]=2 6398 B12R1.280 COc1cccc(c1I)CO[13CH3] 7a_100010236476_200025704644 [0,2,0,0,0,0|0,0,0]=2 6399 B12R1.280 COc1cccc(c1I)NCF 34a_100010245509_100015361967 [0,2,0,0,0,0|1,0,0]=3 6400 B12R1.280 COc1cccc(c1I)OCF 34a_200010201982_100015361967 [0,2,0,0,0,0|0,0,0]=2 6401 B12R1.280 COc1cccc(c1I)OCF 7a_200010201982_100015361967 [0,2,0,0,0,0|0,0,0]=2 6402 B12R1.280 COc1cccc(c1N)CO[13CH3] 34a_100011999522_200025704644 [0,2,0,0,0,0|0,0,0]=2 6403 B12R1.280 COc1cccc(c1N)OCF 34a_100012022766_100015361967 [0,2,0,0,0,0|0,0,0]=2 6404 B12R1.280 COc1cccc(c1N)OCF 7a_100012022766_100015361967 [0,2,0,0,0,0|0,0,0]=2 6405 B12R1.280 COc1cccc(c1N)SCF 62a_100000708083_100015361967 [0,2,0,0,0,0|0,1,0]=3 6406 B12R1.280 COc1cccc(c1O)NCF 34a_100000123586_100015361967 [0,2,0,0,0,0|1,0,0]=3 6407 B12R1.280 COc1cccc(c1O)SCF 62a_100015361967_100000686866 [0,2,0,0,0,0|0,1,0]=3 6408 B12R1.280 COc1ccnc(c1C)CO[13CH3] 34a_100000087669_200025704644 [0,2,0,0,0,0|1,0,0]=3 6409 B12R1.280 COc1ccnc(c1C)CSC 62a_100016994983_200000210301 [0,2,0,0,0,0|1,1,0]=4 6410 B12R1.280 COc1ccnc(c1C)CSC 62a_200000210301_100016994983 [0,2,0,0,0,0|1,1,0]=4 6411 B12R1.280 COc1ccnc(c1C)CS[13CH3] 62a_100016994983_200025704644 [0,2,0,0,0,0|1,1,0]=4 6412 B12R1.280 COc1ccnc(c1C)CS[13CH3] 62a_200025704644_100016994983 [0,2,0,0,0,0|1,1,0]=4 6413 B12R1.280 COc1ccnc(c1C)SCF 62a_100010067686_100015361967 [0,2,0,0,0,0|1,1,0]=4 6414 B12R1.280 COc1ccnc(c1C)SCF 62a_100015361967_100010067686 [0,2,0,0,0,0|1,1,0]=4 6415 B12R1.280 COc1ccnc(c1F)SCF 62a_100015361967_200010136267 [0,2,0,0,0,0|1,1,0]=4 6416 B12R1.280 COc1ccnc(c1F)SCF 62a_200010136267_100015361967 [0,2,0,0,0,0|1,1,0]=4 6417 B12R1.280 COc1ccnc(c1N)SCF 62a_100010233645_100015361967 [0,2,0,0,0,0|1,1,0]=4 6418 B12R1.280 COc1ccnc(c1N)SCF 62a_100015361967_100000100113 [0,2,0,0,0,0|1,1,0]=4 6419 B12R1.280 COc1cncc(c1C)SCF 62a_100010136163_100015361967 [0,2,0,0,0,0|1,1,0]=4 6420 B12R1.280 COc1cncc(c1C)SCF 62a_100015361967_100010136163 [0,2,0,0,0,0|1,1,0]=4 6421 B12R1.280 COc1nccc(c1C)SCF 62a_100010068544_100015361967 [0,2,0,0,0,0|1,1,0]=4 6422 B12R1.280 COc1nccc(c1C)SCF 62a_100015361967_100010068544 [0,2,0,0,0,0|1,1,0]=4 6423 B12R1.280 COc1nccc(c1Cl)CO[13CH3] 34a_100009844655_200025704644 [0,2,0,0,0,0|1,0,0]=3 6424 B12R1.280 COc1nccc(c1F)SCF 62a_100009885657_100015361967 [0,2,0,0,0,0|1,1,0]=4 6425 B12R1.280 COc1nccc(c1F)SCF 62a_100015361967_100009885657 [0,2,0,0,0,0|1,1,0]=4 6426 B12R1.280 CSc1cccc(c1C)CCN 62a_100161000114_200000210301 [0,2,0,0,0,0|1,1,0]=4 6427 B12R1.280 CSc1cccc(c1C)CCN 62a_200000210301_100161000114 [0,2,0,0,0,0|1,1,0]=4 6428 B12R1.280 Cc1c(cccc1OCF)C#N 34a_100000079589_100015361967 [0,2,0,0,0,0|2,0,0]=4 6429 B12R1.280 Cc1c(cccc1OCF)C#N 7a_100000079589_100015361967 [0,2,0,0,0,0|2,0,0]=4 6430 B12R1.280 Cc1c(cccc1OCF)CO 34a_200000084602_100015361967 [0,2,0,0,0,0|2,0,0]=4 6431 B12R1.280 Cc1c(cccc1OCF)CO 7a_200000084602_100015361967 [0,2,0,0,0,0|2,0,0]=4 6432 B12R1.280 Cc1c(cccc1S[13CH3])CCN 62a_100161000114_200025704644 [0,2,0,0,0,0|1,1,0]=4 6433 B12R1.280 Cc1c(cccc1S[13CH3])CCN 62a_200025704644_100161000114 [0,2,0,0,0,0|1,1,0]=4 6434 B12R1.280 N#Cc1cccc(c1Br)OCF 34a_100009818990_100015361967 [0,2,0,0,0,0|2,0,0]=4 6435 B12R1.280 N#Cc1cccc(c1Br)OCF 7a_100009818990_100015361967 [0,2,0,0,0,0|2,0,0]=4 6436 B12R1.280 N#Cc1cccc(c1Cl)OCF 34a_200009871651_100015361967 [0,2,0,0,0,0|2,0,0]=4 6437 B12R1.280 N#Cc1cccc(c1Cl)OCF 7a_200009871651_100015361967 [0,2,0,0,0,0|2,0,0]=4 6438 B12R1.280 N#Cc1cccc(c1F)OCF 34a_200000094591_100015361967 [0,2,0,0,0,0|2,0,0]=4 6439 B12R1.280 N#Cc1cccc(c1F)OCF 7a_200000094591_100015361967 [0,2,0,0,0,0|2,0,0]=4 6440 B12R1.280 NCc1cccc(c1F)OCF 34a_100025773512_100015361967 [0,2,0,0,0,0|2,0,0]=4 6441 B12R1.280 [13CH3]OCc1cccc(c1F)C#N 34a_100012181476_200025704644 [0,2,0,0,0,0|2,0,0]=4 6442 B12R1.280 [13CH3]OCc1cccc(c1F)C#N 7a_100012181476_200025704644 [0,2,0,0,0,0|2,0,0]=4 6443 B12R1.286 C=C=Cc1ccc(c(c1)OC)Br 271570a_100015277604_100012353699 [0,2,0,0,0,0|1,0,1]=4 6444 B12R1.286 C=C=Cc1ccc(c(c1)OC)C 271570a_100015277604_100011830276 [0,2,0,0,0,0|1,0,1]=4 6445 B12R1.286 C=C=Cc1ccc(c(c1)OC)Cl 271570a_100015277604_100011356853 [0,2,0,0,0,0|1,0,1]=4 6446 B12R1.286 C=C=Cc1ccc(c(c1)OC)F 271570a_100015277604_100011934186 [0,2,0,0,0,0|1,0,1]=4 6447 B12R1.286 C=C=Cc1ccc(c(c1)OC)N 271570a_100015277604_100011279103 [0,2,0,0,0,0|1,0,1]=4 6448 B12R1.286 C=C=Cc1ccc(c(c1)OC)O 271570a_100015277604_100000694246 [0,2,0,0,0,0|1,0,1]=4 6449 B12R1.286 C=Cc1cc(ccc1C)COC 271570a_100011290941_200015395492 [0,2,0,0,0,0|1,0,1]=4 6450 B12R1.286 C=Cc1cc(ccc1C)OCC 271570a_100011290941_100011099959 [0,2,0,0,0,0|1,0,1]=4 6451 B12R1.286 C=Cc1cc(ccc1F)COC 271570a_100011290941_200011493689 [0,2,0,0,0,0|1,0,1]=4 6452 B12R1.286 CC=Cc1c[nH]c(=O)c(c1)OC 271570a_100016259895_100010125397 [0,2,0,0,0,0|2,0,0]=4 6453 B12R1.286 CC=Cc1cc(c(cn1)C)OC 271570a_100016259895_100010067687 [0,2,0,0,0,0|2,0,0]=4 6454 B12R1.286 CC=Cc1cc(c(cn1)F)OC 271570a_100016259895_200010136270 [0,2,0,0,0,0|2,0,0]=4 6455 B12R1.286 CC=Cc1cc(c(cn1)N)OC 271570a_100016259895_100009887741 [0,2,0,0,0,0|2,0,0]=4 6456 B12R1.286 CC=Cc1ccc(c(c1)CC)Br 271570a_100016259895_100010244631 [0,2,0,0,0,0|2,0,0]=4 6457 B12R1.286 CC=Cc1ccc(c(c1)CC)F 271570a_100016259895_100010244625 [0,2,0,0,0,0|2,0,0]=4 6458 B12R1.286 CC=Cc1ccc(c(c1)CC)N 271570a_100016259895_100000686106 [0,2,0,0,0,0|2,0,0]=4 6459 B12R1.286 CC=Cc1ccc(c(c1)CC)O 271570a_100016259895_100012338938 [0,2,0,0,0,0|2,0,0]=4 6460 B12R1.286 CC=Cc1ccc(c(c1)NC)C 271570a_100016259895_100020629602 [0,2,0,0,0,0|2,0,0]=4 6461 B12R1.286 CC=Cc1ccc(c(c1)NC)F 271570a_100016259895_100011314990 [0,2,0,0,0,0|2,0,0]=4 6462 B12R1.286 CC=Cc1ccc(c(c1)NC)N 271570a_100016259895_100000694363 [0,2,0,0,0,0|2,0,0]=4 6463 B12R1.286 CC=Cc1ccc(c(c1)OC)Br 271570a_100016259895_100012353699 [0,2,0,0,0,0|1,0,0]=3 6464 B12R1.286 CC=Cc1ccc(c(c1)OC)C 271570a_100016259895_100011830276 [0,2,0,0,0,0|1,0,0]=3 6465 B12R1.286 CC=Cc1ccc(c(c1)OC)Cl 271570a_100016259895_100011356853 [0,2,0,0,0,0|1,0,0]=3 6466 B12R1.286 CC=Cc1ccc(c(c1)OC)F 271570a_100016259895_100011934186 [0,2,0,0,0,0|1,0,0]=3 6467 B12R1.286 CC=Cc1ccc(c(c1)OC)N 271570a_100016259895_100011279103 [0,2,0,0,0,0|1,0,0]=3 6468 B12R1.286 CC=Cc1ccc(c(c1)OC)O 271570a_100016259895_100000694246 [0,2,0,0,0,0|1,0,0]=3 6469 B12R1.286 CC=Cc1ccc(c(c1)SC)F 271570a_100016259895_100010341305 [0,2,0,0,0,0|1,1,0]=4 6470 B12R1.286 CC=Cc1ccc(c(n1)OC)N 271570a_100016259895_100000687816 [0,2,0,0,0,0|2,0,0]=4 6471 B12R1.286 CC=Cc1ccc(c(n1)OC)O 271570a_100016259895_100010893133 [0,2,0,0,0,0|2,0,0]=4 6472 B12R1.286 CC=Cc1cnc(c(c1)OC)C 271570a_100016259895_100010254219 [0,2,0,0,0,0|2,0,0]=4 6473 B12R1.286 CC=Cc1cnc(c(c1)OC)F 271570a_100016259895_100010214931 [0,2,0,0,0,0|2,0,0]=4 6474 B12R1.286 CC=Cc1cnc(c(c1)OC)N 271570a_100016259895_106354213024 [0,2,0,0,0,0|2,0,0]=4 6475 B12R1.286 CCNc1ccc(c(c1)CC)Br 2230a_100010109747_100000210202 [0,2,0,0,0,0|2,0,0]=4 6476 B12R1.286 CCNc1ccc(c(c1)CC)Br 34a_100010109747_100000210202 [0,2,0,0,0,0|2,0,0]=4 6477 B12R1.286 CCNc1ccc(c(c1)CC)Br 7a_100010109747_100000210202 [0,2,0,0,0,0|2,0,0]=4 6478 B12R1.286 CCNc1ccc(c(c1)OC)Br 2230a_100000765947_100000210202 [0,2,0,0,0,0|1,0,0]=3 6479 B12R1.286 CCNc1ccc(c(c1)OC)Br 34a_100000765947_100000210202 [0,2,0,0,0,0|1,0,0]=3 6480 B12R1.286 CCNc1ccc(c(c1)OC)C 2230a_100011279678_100000210202 [0,2,0,0,0,0|1,0,0]=3 6481 B12R1.286 CCNc1ccc(c(c1)OC)C 34a_100011279678_100000210202 [0,2,0,0,0,0|1,0,0]=3 6482 B12R1.286 CCNc1ccc(c(c1)OC)Cl 2230a_100000742311_100000210202 [0,2,0,0,0,0|1,0,0]=3 6483 B12R1.286 CCNc1ccc(c(c1)OC)Cl 34a_100000742311_100000210202 [0,2,0,0,0,0|1,0,0]=3 6484 B12R1.286 CCNc1ccc(c(c1)OC)F 2230a_100000701188_100000210202 [0,2,0,0,0,0|1,0,0]=3 6485 B12R1.286 CCNc1ccc(c(c1)OC)F 34a_100000701188_100000210202 [0,2,0,0,0,0|1,0,0]=3 6486 B12R1.286 CCNc1ccc(c(c1)OC)I 34a_100000746945_100000210202 [0,2,0,0,0,0|1,0,0]=3 6487 B12R1.286 CCNc1ccc(c(c1)OC)O 34a_100000726020_100000210202 [0,2,0,0,0,0|1,0,0]=3 6488 B12R1.286 CCOc1ccc(c(c1)C#N)Br 34a_100009818209_100000210202 [0,2,0,0,0,0|2,0,0]=4 6489 B12R1.286 CCOc1ccc(c(c1)C#N)Br 7a_100009818209_100000210202 [0,2,0,0,0,0|2,0,0]=4 6490 B12R1.286 CCOc1ccc(c(c1)C#N)Cl 34a_100000092820_100000210202 [0,2,0,0,0,0|2,0,0]=4 6491 B12R1.286 CCOc1ccc(c(c1)C#N)Cl 7a_100000092820_100000210202 [0,2,0,0,0,0|2,0,0]=4 6492 B12R1.286 CCOc1ccc(c(c1)C#N)F 34a_100000070142_100000210202 [0,2,0,0,0,0|2,0,0]=4 6493 B12R1.286 CCOc1ccc(c(c1)C#N)F 7a_100000070142_100000210202 [0,2,0,0,0,0|2,0,0]=4 6494 B12R1.286 CCOc1ccc(c(c1)C#N)N 34a_200011997737_100000210202 [0,2,0,0,0,0|2,0,0]=4 6495 B12R1.286 CCOc1ccc(c(c1)C#N)N 7a_200011997737_100000210202 [0,2,0,0,0,0|2,0,0]=4 6496 B12R1.286 CCOc1ccc(c(c1)C=O)O 271570a_203496583355_100012345016 [0,2,0,0,0,0|2,0,0]=4 6497 B12R1.286 CCOc1ccc(c(c1)CC)Cl 34a_100000212063_100000210202 [0,2,0,0,0,0|1,0,0]=3 6498 B12R1.286 CCOc1ccc(c(c1)CC)Cl 7a_100000212063_100000210202 [0,2,0,0,0,0|1,0,0]=3 6499 B12R1.286 CCOc1ccc(c(c1)CN)C 34a_200009844824_100000210202 [0,2,0,0,0,0|2,0,0]=4 6500 B12R1.286 CCOc1ccc(c(c1)CO)Br 34a_100012351483_100000210202 [0,2,0,0,0,0|2,0,0]=4 6501 B12R1.286 CCOc1ccc(c(c1)CO)Br 7a_100012351483_100000210202 [0,2,0,0,0,0|2,0,0]=4 6502 B12R1.286 CCOc1ccc(c(c1)CO)C 34a_100009878257_100000210202 [0,2,0,0,0,0|2,0,0]=4 6503 B12R1.286 CCOc1ccc(c(c1)CO)C 7a_100009878257_100000210202 [0,2,0,0,0,0|2,0,0]=4 6504 B12R1.286 CCOc1ccc(c(c1)CO)Cl 34a_100000091669_100000210202 [0,2,0,0,0,0|2,0,0]=4 6505 B12R1.286 CCOc1ccc(c(c1)CO)Cl 7a_100000091669_100000210202 [0,2,0,0,0,0|2,0,0]=4 6506 B12R1.286 CCOc1ccc(c(c1)OC)Br 34a_100011827694_100000210202 [0,2,0,0,0,0|0,0,0]=2 6507 B12R1.286 CCOc1ccc(c(c1)OC)Br 7a_100011827694_100000210202 [0,2,0,0,0,0|0,0,0]=2 6508 B12R1.286 CCOc1ccc(c(c1)OC)C 34a_100009865632_100000210202 [0,2,0,0,0,0|0,0,0]=2 6509 B12R1.286 CCOc1ccc(c(c1)OC)C 7a_100009865632_100000210202 [0,2,0,0,0,0|0,0,0]=2 6510 B12R1.286 CCOc1ccc(c(c1)OC)Cl 34a_100012186310_100000210202 [0,2,0,0,0,0|0,0,0]=2 6511 B12R1.286 CCOc1ccc(c(c1)OC)Cl 7a_100012186310_100000210202 [0,2,0,0,0,0|0,0,0]=2 6512 B12R1.286 CCOc1ccc(c(c1)OC)F 34a_100012001760_100000210202 [0,2,0,0,0,0|0,0,0]=2 6513 B12R1.286 CCOc1ccc(c(c1)OC)F 7a_100012001760_100000210202 [0,2,0,0,0,0|0,0,0]=2 6514 B12R1.286 CCOc1ccc(c(c1)OC)N 34a_100015326901_100000210202 [0,2,0,0,0,0|0,0,0]=2 6515 B12R1.286 CCOc1ccc(c(c1)OC)N 7a_100015326901_100000210202 [0,2,0,0,0,0|0,0,0]=2 6516 B12R1.286 CCOc1ccc(c(c1)SC)C 62a_200000210301_100011099959 [0,2,0,0,0,0|0,1,0]=3 6517 B12R1.286 CCOc1ccc(c(c1)S[13CH3])C 62a_200025704644_100011099959 [0,2,0,0,0,0|0,1,0]=3 6518 B12R1.286 CCSc1c[nH]c(=O)c(c1)OC 62a_100000210202_100010125397 [0,2,0,0,0,0|1,1,0]=4 6519 B12R1.286 CCSc1cc(c(cn1)C)OC 62a_100000210202_100010067687 [0,2,0,0,0,0|1,1,0]=4 6520 B12R1.286 CCSc1cc(c(cn1)C)OC 62a_100010067687_100000210202 [0,2,0,0,0,0|1,1,0]=4 6521 B12R1.286 CCSc1cc(c(cn1)F)OC 62a_100000210202_200010136270 [0,2,0,0,0,0|1,1,0]=4 6522 B12R1.286 CCSc1cc(c(cn1)F)OC 62a_200010136270_100000210202 [0,2,0,0,0,0|1,1,0]=4 6523 B12R1.286 CCSc1cc(c(cn1)N)OC 62a_100000210202_100009887741 [0,2,0,0,0,0|1,1,0]=4 6524 B12R1.286 CCSc1cc(c(cn1)N)OC 62a_100009887741_100000210202 [0,2,0,0,0,0|1,1,0]=4 6525 B12R1.286 CCSc1ccc(c(c1)CC)Br 62a_100000210202_100010244631 [0,2,0,0,0,0|1,1,0]=4 6526 B12R1.286 CCSc1ccc(c(c1)CC)Br 62a_100010244631_100000210202 [0,2,0,0,0,0|1,1,0]=4 6527 B12R1.286 CCSc1ccc(c(c1)CC)F 62a_100000210202_100010244625 [0,2,0,0,0,0|1,1,0]=4 6528 B12R1.286 CCSc1ccc(c(c1)CC)F 62a_100010244625_100000210202 [0,2,0,0,0,0|1,1,0]=4 6529 B12R1.286 CCSc1ccc(c(c1)CC)N 62a_100000210202_100000686106 [0,2,0,0,0,0|1,1,0]=4 6530 B12R1.286 CCSc1ccc(c(c1)CC)N 62a_100000686106_100000210202 [0,2,0,0,0,0|1,1,0]=4 6531 B12R1.286 CCSc1ccc(c(c1)CC)O 62a_100000210202_100012338938 [0,2,0,0,0,0|1,1,0]=4 6532 B12R1.286 CCSc1ccc(c(c1)NC)C 62a_100000210202_100020629602 [0,2,0,0,0,0|1,1,0]=4 6533 B12R1.286 CCSc1ccc(c(c1)NC)C 62a_100020629602_100000210202 [0,2,0,0,0,0|1,1,0]=4 6534 B12R1.286 CCSc1ccc(c(c1)NC)F 62a_100000210202_100011314990 [0,2,0,0,0,0|1,1,0]=4 6535 B12R1.286 CCSc1ccc(c(c1)NC)F 62a_100011314990_100000210202 [0,2,0,0,0,0|1,1,0]=4 6536 B12R1.286 CCSc1ccc(c(c1)NC)N 62a_100000694363_100000210202 [0,2,0,0,0,0|1,1,0]=4 6537 B12R1.286 CCSc1ccc(c(c1)OC)Br 62a_100000210202_100012353699 [0,2,0,0,0,0|0,1,0]=3 6538 B12R1.286 CCSc1ccc(c(c1)OC)Br 62a_100012353699_100000210202 [0,2,0,0,0,0|0,1,0]=3 6539 B12R1.286 CCSc1ccc(c(c1)OC)C 62a_100000210202_100011830276 [0,2,0,0,0,0|0,1,0]=3 6540 B12R1.286 CCSc1ccc(c(c1)OC)C 62a_100011830276_100000210202 [0,2,0,0,0,0|0,1,0]=3 6541 B12R1.286 CCSc1ccc(c(c1)OC)Cl 62a_100000210202_100011356853 [0,2,0,0,0,0|0,1,0]=3 6542 B12R1.286 CCSc1ccc(c(c1)OC)Cl 62a_100011356853_100000210202 [0,2,0,0,0,0|0,1,0]=3 6543 B12R1.286 CCSc1ccc(c(c1)OC)F 62a_100000210202_100011934186 [0,2,0,0,0,0|0,1,0]=3 6544 B12R1.286 CCSc1ccc(c(c1)OC)F 62a_100011934186_100000210202 [0,2,0,0,0,0|0,1,0]=3 6545 B12R1.286 CCSc1ccc(c(c1)OC)N 62a_100000210202_100015196925 [0,2,0,0,0,0|0,1,0]=3 6546 B12R1.286 CCSc1ccc(c(c1)OC)N 62a_100011279103_100000210202 [0,2,0,0,0,0|0,1,0]=3 6547 B12R1.286 CCSc1ccc(c(c1)OC)O 62a_100000210202_100000694246 [0,2,0,0,0,0|0,1,0]=3 6548 B12R1.286 CCSc1ccc(c(c1)SC)F 62a_100000210202_100010341305 [0,2,0,0,0,0|0,2,0]=4 6549 B12R1.286 CCSc1ccc(c(c1)SC)F 62a_100010341305_100000210202 [0,2,0,0,0,0|0,2,0]=4 6550 B12R1.286 CCSc1ccc(c(n1)OC)N 62a_100000210202_100000687816 [0,2,0,0,0,0|1,1,0]=4 6551 B12R1.286 CCSc1ccc(c(n1)OC)N 62a_100000687816_100000210202 [0,2,0,0,0,0|1,1,0]=4 6552 B12R1.286 CCSc1ccc(c(n1)OC)O 62a_100000210202_100010893133 [0,2,0,0,0,0|1,1,0]=4 6553 B12R1.286 CCSc1cnc(c(c1)OC)C 62a_100000210202_100010254219 [0,2,0,0,0,0|1,1,0]=4 6554 B12R1.286 CCSc1cnc(c(c1)OC)C 62a_100010254219_100000210202 [0,2,0,0,0,0|1,1,0]=4 6555 B12R1.286 CCSc1cnc(c(c1)OC)F 62a_100000210202_100010214931 [0,2,0,0,0,0|1,1,0]=4 6556 B12R1.286 CCSc1cnc(c(c1)OC)F 62a_100010214931_100000210202 [0,2,0,0,0,0|1,1,0]=4 6557 B12R1.286 CCSc1cnc(c(c1)OC)N 62a_100000210202_106354213024 [0,2,0,0,0,0|1,1,0]=4 6558 B12R1.286 CCSc1cnc(c(c1)OC)N 62a_106354213024_100000210202 [0,2,0,0,0,0|1,1,0]=4 6559 B12R1.286 CCc1cc(ccc1Br)NCF 34a_100010109747_100015361967 [0,2,0,0,0,0|2,0,0]=4 6560 B12R1.286 CCc1cc(ccc1Br)NCF 7a_100010109747_100015361967 [0,2,0,0,0,0|2,0,0]=4 6561 B12R1.286 CCc1cc(ccc1Br)SCF 62a_100010244631_100015361967 [0,2,0,0,0,0|1,1,0]=4 6562 B12R1.286 CCc1cc(ccc1Br)SCF 62a_100015361967_100010244631 [0,2,0,0,0,0|1,1,0]=4 6563 B12R1.286 CCc1cc(ccc1Cl)CNC 26a_100102657272_100000212063 [0,2,0,0,0,0|2,0,0]=4 6564 B12R1.286 CCc1cc(ccc1Cl)OCF 34a_100000212063_100015361967 [0,2,0,0,0,0|1,0,0]=3 6565 B12R1.286 CCc1cc(ccc1Cl)OCF 7a_100000212063_100015361967 [0,2,0,0,0,0|1,0,0]=3 6566 B12R1.286 CCc1cc(ccc1F)CNC 207a_100102657272_100009840867 [0,2,0,0,0,0|2,0,0]=4 6567 B12R1.286 CCc1cc(ccc1F)CNC 2230a_114873767189_200000210301 [0,2,0,0,0,0|2,0,0]=4 6568 B12R1.286 CCc1cc(ccc1F)CNC 269862a_106832991636_100009840867 [0,2,0,0,0,0|2,0,0]=4 6569 B12R1.286 CCc1cc(ccc1F)CNC 270004a_106832991635_100009840867 [0,2,0,0,0,0|2,0,0]=4 6570 B12R1.286 CCc1cc(ccc1F)CNC 34a_114873767189_200000210301 [0,2,0,0,0,0|2,0,0]=4 6571 B12R1.286 CCc1cc(ccc1F)CN[13CH3] 2230a_114873767189_200025704644 [0,2,0,0,0,0|2,0,0]=4 6572 B12R1.286 CCc1cc(ccc1F)CN[13CH3] 34a_114873767189_200025704644 [0,2,0,0,0,0|2,0,0]=4 6573 B12R1.286 CCc1cc(ccc1F)SCF 62a_100010244625_100015361967 [0,2,0,0,0,0|1,1,0]=4 6574 B12R1.286 CCc1cc(ccc1F)SCF 62a_100015361967_100010244625 [0,2,0,0,0,0|1,1,0]=4 6575 B12R1.286 CCc1cc(ccc1N)SCF 62a_100000686106_100015361967 [0,2,0,0,0,0|1,1,0]=4 6576 B12R1.286 CCc1cc(ccc1N)SCF 62a_100015361967_100000686106 [0,2,0,0,0,0|1,1,0]=4 6577 B12R1.286 CCc1cc(ccc1O)SCF 62a_100015361967_100012338938 [0,2,0,0,0,0|1,1,0]=4 6578 B12R1.286 CNCc1ccc(c(c1)OC)Br 207a_100102657272_100010244714 [0,2,0,0,0,0|1,0,0]=3 6579 B12R1.286 CNCc1ccc(c(c1)OC)Br 2230a_106832991635_100010110085 [0,2,0,0,0,0|1,0,0]=3 6580 B12R1.286 CNCc1ccc(c(c1)OC)Br 26a_100102657272_100011827694 [0,2,0,0,0,0|1,0,0]=3 6581 B12R1.286 CNCc1ccc(c(c1)OC)Br 270004a_106832991635_100010244714 [0,2,0,0,0,0|1,0,0]=3 6582 B12R1.286 CNCc1ccc(c(c1)OC)Br 34a_100102657272_100010110085 [0,2,0,0,0,0|1,0,0]=3 6583 B12R1.286 CNCc1ccc(c(c1)OC)Br 7a_106832991635_100010110085 [0,2,0,0,0,0|1,0,0]=3 6584 B12R1.286 CNCc1ccc(c(c1)OC)C 207a_100102657272_100000719150 [0,2,0,0,0,0|1,0,0]=3 6585 B12R1.286 CNCc1ccc(c(c1)OC)C 270004a_106832991635_100000719150 [0,2,0,0,0,0|1,0,0]=3 6586 B12R1.286 CNCc1ccc(c(c1)OC)Cl 207a_100102657272_100011998524 [0,2,0,0,0,0|1,0,0]=3 6587 B12R1.286 CNCc1ccc(c(c1)OC)Cl 2230a_100015204853_200000210301 [0,2,0,0,0,0|1,0,0]=3 6588 B12R1.286 CNCc1ccc(c(c1)OC)Cl 2230a_106832991635_200010214485 [0,2,0,0,0,0|1,0,0]=3 6589 B12R1.286 CNCc1ccc(c(c1)OC)Cl 26a_100102657272_100012186310 [0,2,0,0,0,0|1,0,0]=3 6590 B12R1.286 CNCc1ccc(c(c1)OC)Cl 270004a_106832991635_100011998524 [0,2,0,0,0,0|1,0,0]=3 6591 B12R1.286 CNCc1ccc(c(c1)OC)Cl 34a_100015204853_200000210301 [0,2,0,0,0,0|1,0,0]=3 6592 B12R1.286 CNCc1ccc(c(c1)OC)Cl 34a_100102657272_200010214485 [0,2,0,0,0,0|1,0,0]=3 6593 B12R1.286 CNCc1ccc(c(c1)OC)Cl 7a_106832991635_200010214485 [0,2,0,0,0,0|1,0,0]=3 6594 B12R1.286 CNCc1ccc(c(c1)OC)F 207a_100102657272_100000692873 [0,2,0,0,0,0|1,0,0]=3 6595 B12R1.286 CNCc1ccc(c(c1)OC)F 2230a_100020626639_200000210301 [0,2,0,0,0,0|1,0,0]=3 6596 B12R1.286 CNCc1ccc(c(c1)OC)F 2230a_106832991635_100012349856 [0,2,0,0,0,0|1,0,0]=3 6597 B12R1.286 CNCc1ccc(c(c1)OC)F 270004a_106832991635_100000692873 [0,2,0,0,0,0|1,0,0]=3 6598 B12R1.286 CNCc1ccc(c(c1)OC)F 34a_100020626639_200000210301 [0,2,0,0,0,0|1,0,0]=3 6599 B12R1.286 CNCc1ccc(c(c1)OC)F 34a_100102657272_100012349856 [0,2,0,0,0,0|1,0,0]=3 6600 B12R1.286 CNCc1ccc(c(c1)OC)F 7a_106832991635_100012349856 [0,2,0,0,0,0|1,0,0]=3 6601 B12R1.286 CNCc1ccc(c(c1)OC)O 34a_100000185554_200000210301 [0,2,0,0,0,0|1,0,0]=3 6602 B12R1.286 CNCc1ccc(c(n1)OC)Br 2230a_106832991635_200010066506 [0,2,0,0,0,0|2,0,0]=4 6603 B12R1.286 CNCc1ccc(c(n1)OC)Br 34a_100102657272_200010066506 [0,2,0,0,0,0|2,0,0]=4 6604 B12R1.286 CNCc1ccc(c(n1)OC)Br 7a_106832991635_200010066506 [0,2,0,0,0,0|2,0,0]=4 6605 B12R1.286 CNc1cc(ccc1Br)COC 34a_200013033220_200000210301 [0,2,0,0,0,0|1,0,0]=3 6606 B12R1.286 CNc1cc(ccc1C)SCF 62a_100015361967_100020629602 [0,2,0,0,0,0|1,1,0]=4 6607 B12R1.286 CNc1cc(ccc1C)SCF 62a_100020629602_100015361967 [0,2,0,0,0,0|1,1,0]=4 6608 B12R1.286 CNc1cc(ccc1F)SCF 62a_100011314990_100015361967 [0,2,0,0,0,0|1,1,0]=4 6609 B12R1.286 CNc1cc(ccc1F)SCF 62a_100015361967_100011314990 [0,2,0,0,0,0|1,1,0]=4 6610 B12R1.286 CNc1cc(ccc1N)SCF 62a_100000694363_100015361967 [0,2,0,0,0,0|1,1,0]=4 6611 B12R1.286 COCc1cc(c(cn1)Br)OC 34a_100010999569_200000210301 [0,2,0,0,0,0|1,0,0]=3 6612 B12R1.286 COCc1ccc(c(c1)C#N)Br 34a_100010145894_200000210301 [0,2,0,0,0,0|2,0,0]=4 6613 B12R1.286 COCc1ccc(c(c1)C#N)Br 7a_100010145894_200000210301 [0,2,0,0,0,0|2,0,0]=4 6614 B12R1.286 COCc1ccc(c(c1)C#N)F 34a_100011220027_200000210301 [0,2,0,0,0,0|2,0,0]=4 6615 B12R1.286 COCc1ccc(c(c1)C#N)F 7a_100011220027_200000210301 [0,2,0,0,0,0|2,0,0]=4 6616 B12R1.286 COCc1ccc(c(c1)N[13CH3])Br 34a_200013033220_200025704644 [0,2,0,0,0,0|1,0,0]=3 6617 B12R1.286 COCc1ccc(c(c1)OC)Br 34a_100010234685_200000210301 [0,2,0,0,0,0|0,0,0]=2 6618 B12R1.286 COCc1ccc(c(c1)OC)Br 34a_100138415774_100010110085 [0,2,0,0,0,0|0,0,0]=2 6619 B12R1.286 COCc1ccc(c(c1)OC)Br 7a_100010234685_200000210301 [0,2,0,0,0,0|0,0,0]=2 6620 B12R1.286 COCc1ccc(c(c1)OC)C 34a_100000752651_200000210301 [0,2,0,0,0,0|0,0,0]=2 6621 B12R1.286 COCc1ccc(c(c1)OC)C 7a_100000752651_200000210301 [0,2,0,0,0,0|0,0,0]=2 6622 B12R1.286 COCc1ccc(c(c1)OC)Cl 34a_100012179228_200000210301 [0,2,0,0,0,0|0,0,0]=2 6623 B12R1.286 COCc1ccc(c(c1)OC)Cl 34a_100138415774_200010214485 [0,2,0,0,0,0|0,0,0]=2 6624 B12R1.286 COCc1ccc(c(c1)OC)F 34a_100000692429_200000210301 [0,2,0,0,0,0|0,0,0]=2 6625 B12R1.286 COCc1ccc(c(c1)OC)F 34a_100138415774_100012349856 [0,2,0,0,0,0|0,0,0]=2 6626 B12R1.286 COCc1ccc(c(c1)OC)F 7a_100000692429_200000210301 [0,2,0,0,0,0|0,0,0]=2 6627 B12R1.286 COCc1ccc(c(c1)OC)N 34a_100000087641_200000210301 [0,2,0,0,0,0|0,0,0]=2 6628 B12R1.286 COCc1ccc(c(c1)SC)C 62a_200000210301_200015395492 [0,2,0,0,0,0|0,1,0]=3 6629 B12R1.286 COCc1ccc(c(c1)SC)C 62a_200015395492_200000210301 [0,2,0,0,0,0|0,1,0]=3 6630 B12R1.286 COCc1ccc(c(c1)SC)F 62a_200000210301_200011493689 [0,2,0,0,0,0|0,1,0]=3 6631 B12R1.286 COCc1ccc(c(c1)SC)F 62a_200011493689_200000210301 [0,2,0,0,0,0|0,1,0]=3 6632 B12R1.286 COCc1ccc(c(c1)S[13CH3])C 62a_200015395492_200025704644 [0,2,0,0,0,0|0,1,0]=3 6633 B12R1.286 COCc1ccc(c(c1)S[13CH3])C 62a_200025704644_200015395492 [0,2,0,0,0,0|0,1,0]=3 6634 B12R1.286 COCc1ccc(c(c1)S[13CH3])F 62a_200011493689_200025704644 [0,2,0,0,0,0|0,1,0]=3 6635 B12R1.286 COCc1ccc(c(c1)S[13CH3])F 62a_200025704644_200011493689 [0,2,0,0,0,0|0,1,0]=3 6636 B12R1.286 COCc1ccc(c(n1)OC)Br 34a_100138415774_200010066506 [0,2,0,0,0,0|1,0,0]=3 6637 B12R1.286 COc1cc(c[nH]c1=O)SCF 62a_100015361967_100010125397 [0,2,0,0,0,0|1,1,0]=4 6638 B12R1.286 COc1cc(ccc1Br)CO[13CH3] 34a_100010234685_200025704644 [0,2,0,0,0,0|0,0,0]=2 6639 B12R1.286 COc1cc(ccc1Br)CO[13CH3] 7a_100010234685_200025704644 [0,2,0,0,0,0|0,0,0]=2 6640 B12R1.286 COc1cc(ccc1Br)CSC 62a_100010110085_200000210301 [0,2,0,0,0,0|0,1,0]=3 6641 B12R1.286 COc1cc(ccc1Br)CSC 62a_200000210301_100010110085 [0,2,0,0,0,0|0,1,0]=3 6642 B12R1.286 COc1cc(ccc1Br)CS[13CH3] 62a_100010110085_200025704644 [0,2,0,0,0,0|0,1,0]=3 6643 B12R1.286 COc1cc(ccc1Br)CS[13CH3] 62a_200025704644_100010110085 [0,2,0,0,0,0|0,1,0]=3 6644 B12R1.286 COc1cc(ccc1Br)NCF 34a_100000765947_100015361967 [0,2,0,0,0,0|1,0,0]=3 6645 B12R1.286 COc1cc(ccc1Br)OCF 34a_100011827694_100015361967 [0,2,0,0,0,0|0,0,0]=2 6646 B12R1.286 COc1cc(ccc1Br)OCF 7a_100011827694_100015361967 [0,2,0,0,0,0|0,0,0]=2 6647 B12R1.286 COc1cc(ccc1Br)SCF 62a_100012353699_100015361967 [0,2,0,0,0,0|0,1,0]=3 6648 B12R1.286 COc1cc(ccc1Br)SCF 62a_100015361967_100012353699 [0,2,0,0,0,0|0,1,0]=3 6649 B12R1.286 COc1cc(ccc1C)CO[13CH3] 34a_100000752651_200025704644 [0,2,0,0,0,0|0,0,0]=2 6650 B12R1.286 COc1cc(ccc1C)CO[13CH3] 7a_100000752651_200025704644 [0,2,0,0,0,0|0,0,0]=2 6651 B12R1.286 COc1cc(ccc1C)NCF 34a_100011279678_100015361967 [0,2,0,0,0,0|1,0,0]=3 6652 B12R1.286 COc1cc(ccc1C)OCF 34a_100009865632_100015361967 [0,2,0,0,0,0|0,0,0]=2 6653 B12R1.286 COc1cc(ccc1C)OCF 7a_100009865632_100015361967 [0,2,0,0,0,0|0,0,0]=2 6654 B12R1.286 COc1cc(ccc1C)SCF 62a_100011830276_100015361967 [0,2,0,0,0,0|0,1,0]=3 6655 B12R1.286 COc1cc(ccc1C)SCF 62a_100015361967_100011830276 [0,2,0,0,0,0|0,1,0]=3 6656 B12R1.286 COc1cc(ccc1Cl)CN[13CH3] 2230a_100015204853_200025704644 [0,2,0,0,0,0|1,0,0]=3 6657 B12R1.286 COc1cc(ccc1Cl)CN[13CH3] 34a_100015204853_200025704644 [0,2,0,0,0,0|1,0,0]=3 6658 B12R1.286 COc1cc(ccc1Cl)CO[13CH3] 34a_100012179228_200025704644 [0,2,0,0,0,0|0,0,0]=2 6659 B12R1.286 COc1cc(ccc1Cl)CSC 62a_200000210301_200010214485 [0,2,0,0,0,0|0,1,0]=3 6660 B12R1.286 COc1cc(ccc1Cl)CSC 62a_200010214485_200000210301 [0,2,0,0,0,0|0,1,0]=3 6661 B12R1.286 COc1cc(ccc1Cl)CS[13CH3] 62a_200010214485_200025704644 [0,2,0,0,0,0|0,1,0]=3 6662 B12R1.286 COc1cc(ccc1Cl)CS[13CH3] 62a_200025704644_200010214485 [0,2,0,0,0,0|0,1,0]=3 6663 B12R1.286 COc1cc(ccc1Cl)NCF 34a_100000742311_100015361967 [0,2,0,0,0,0|1,0,0]=3 6664 B12R1.286 COc1cc(ccc1Cl)OCF 34a_100012186310_100015361967 [0,2,0,0,0,0|0,0,0]=2 6665 B12R1.286 COc1cc(ccc1Cl)OCF 7a_100012186310_100015361967 [0,2,0,0,0,0|0,0,0]=2 6666 B12R1.286 COc1cc(ccc1Cl)SCF 62a_100011356853_100015361967 [0,2,0,0,0,0|0,1,0]=3 6667 B12R1.286 COc1cc(ccc1Cl)SCF 62a_100015361967_100011356853 [0,2,0,0,0,0|0,1,0]=3 6668 B12R1.286 COc1cc(ccc1F)CN[13CH3] 2230a_100020626639_200025704644 [0,2,0,0,0,0|1,0,0]=3 6669 B12R1.286 COc1cc(ccc1F)CN[13CH3] 34a_100020626639_200025704644 [0,2,0,0,0,0|1,0,0]=3 6670 B12R1.286 COc1cc(ccc1F)CO[13CH3] 34a_100000692429_200025704644 [0,2,0,0,0,0|0,0,0]=2 6671 B12R1.286 COc1cc(ccc1F)CO[13CH3] 7a_100000692429_200025704644 [0,2,0,0,0,0|0,0,0]=2 6672 B12R1.286 COc1cc(ccc1F)CSC 62a_100012349856_200000210301 [0,2,0,0,0,0|0,1,0]=3 6673 B12R1.286 COc1cc(ccc1F)CSC 62a_200000210301_100012349856 [0,2,0,0,0,0|0,1,0]=3 6674 B12R1.286 COc1cc(ccc1F)CS[13CH3] 62a_100012349856_200025704644 [0,2,0,0,0,0|0,1,0]=3 6675 B12R1.286 COc1cc(ccc1F)CS[13CH3] 62a_200025704644_100012349856 [0,2,0,0,0,0|0,1,0]=3 6676 B12R1.286 COc1cc(ccc1F)NCF 34a_100000701188_100015361967 [0,2,0,0,0,0|1,0,0]=3 6677 B12R1.286 COc1cc(ccc1F)OCF 34a_100012001760_100015361967 [0,2,0,0,0,0|0,0,0]=2 6678 B12R1.286 COc1cc(ccc1F)OCF 7a_100012001760_100015361967 [0,2,0,0,0,0|0,0,0]=2 6679 B12R1.286 COc1cc(ccc1F)SCF 62a_100011934186_100015361967 [0,2,0,0,0,0|0,1,0]=3 6680 B12R1.286 COc1cc(ccc1F)SCF 62a_100015361967_100011934186 [0,2,0,0,0,0|0,1,0]=3 6681 B12R1.286 COc1cc(ccc1I)NCF 34a_100000746945_100015361967 [0,2,0,0,0,0|1,0,0]=3 6682 B12R1.286 COc1cc(ccc1N)CO[13CH3] 34a_100000087641_200025704644 [0,2,0,0,0,0|0,0,0]=2 6683 B12R1.286 COc1cc(ccc1N)OCF 34a_100015326901_100015361967 [0,2,0,0,0,0|0,0,0]=2 6684 B12R1.286 COc1cc(ccc1N)OCF 7a_100015326901_100015361967 [0,2,0,0,0,0|0,0,0]=2 6685 B12R1.286 COc1cc(ccc1N)SCF 62a_100011279103_100015361967 [0,2,0,0,0,0|0,1,0]=3 6686 B12R1.286 COc1cc(ccc1N)SCF 62a_100015361967_100015196925 [0,2,0,0,0,0|0,1,0]=3 6687 B12R1.286 COc1cc(ccc1O)CC#N 271570a_203496583355_100010176002 [0,2,0,0,0,0|1,0,1]=4 6688 B12R1.286 COc1cc(ccc1O)CN[13CH3] 34a_100000185554_200025704644 [0,2,0,0,0,0|1,0,0]=3 6689 B12R1.286 COc1cc(ccc1O)NCF 34a_100000726020_100015361967 [0,2,0,0,0,0|1,0,0]=3 6690 B12R1.286 COc1cc(ccc1O)SCF 62a_100015361967_100000694246 [0,2,0,0,0,0|0,1,0]=3 6691 B12R1.286 COc1cc(cnc1C)SCF 62a_100010254219_100015361967 [0,2,0,0,0,0|1,1,0]=4 6692 B12R1.286 COc1cc(cnc1C)SCF 62a_100015361967_100010254219 [0,2,0,0,0,0|1,1,0]=4 6693 B12R1.286 COc1cc(cnc1F)SCF 62a_100010214931_100015361967 [0,2,0,0,0,0|1,1,0]=4 6694 B12R1.286 COc1cc(cnc1F)SCF 62a_100015361967_100010214931 [0,2,0,0,0,0|1,1,0]=4 6695 B12R1.286 COc1cc(cnc1N)SCF 62a_100015361967_106354213024 [0,2,0,0,0,0|1,1,0]=4 6696 B12R1.286 COc1cc(cnc1N)SCF 62a_106354213024_100015361967 [0,2,0,0,0,0|1,1,0]=4 6697 B12R1.286 COc1cc(ncc1Br)CO[13CH3] 34a_100010999569_200025704644 [0,2,0,0,0,0|1,0,0]=3 6698 B12R1.286 COc1cc(ncc1C)SCF 62a_100010067687_100015361967 [0,2,0,0,0,0|1,1,0]=4 6699 B12R1.286 COc1cc(ncc1C)SCF 62a_100015361967_100010067687 [0,2,0,0,0,0|1,1,0]=4 6700 B12R1.286 COc1cc(ncc1F)SCF 62a_100015361967_200010136270 [0,2,0,0,0,0|1,1,0]=4 6701 B12R1.286 COc1cc(ncc1F)SCF 62a_200010136270_100015361967 [0,2,0,0,0,0|1,1,0]=4 6702 B12R1.286 COc1cc(ncc1N)SCF 62a_100009887741_100015361967 [0,2,0,0,0,0|1,1,0]=4 6703 B12R1.286 COc1cc(ncc1N)SCF 62a_100015361967_100009887741 [0,2,0,0,0,0|1,1,0]=4 6704 B12R1.286 COc1nc(ccc1Br)CSC 62a_200000210301_200010066506 [0,2,0,0,0,0|1,1,0]=4 6705 B12R1.286 COc1nc(ccc1Br)CSC 62a_200010066506_200000210301 [0,2,0,0,0,0|1,1,0]=4 6706 B12R1.286 COc1nc(ccc1Br)CS[13CH3] 62a_200010066506_200025704644 [0,2,0,0,0,0|1,1,0]=4 6707 B12R1.286 COc1nc(ccc1Br)CS[13CH3] 62a_200025704644_200010066506 [0,2,0,0,0,0|1,1,0]=4 6708 B12R1.286 COc1nc(ccc1N)SCF 62a_100000687816_100015361967 [0,2,0,0,0,0|1,1,0]=4 6709 B12R1.286 COc1nc(ccc1N)SCF 62a_100015361967_100000687816 [0,2,0,0,0,0|1,1,0]=4 6710 B12R1.286 COc1nc(ccc1O)SCF 62a_100015361967_100010893133 [0,2,0,0,0,0|1,1,0]=4 6711 B12R1.286 CSc1cc(ccc1F)SCF 62a_100010341305_100015361967 [0,2,0,0,0,0|0,2,0]=4 6712 B12R1.286 CSc1cc(ccc1F)SCF 62a_100015361967_100010341305 [0,2,0,0,0,0|0,2,0]=4 6713 B12R1.286 Cc1ccc(cc1CN)OCF 34a_200009844824_100015361967 [0,2,0,0,0,0|2,0,0]=4 6714 B12R1.286 Cc1ccc(cc1CO)OCF 34a_100009878257_100015361967 [0,2,0,0,0,0|2,0,0]=4 6715 B12R1.286 Cc1ccc(cc1CO)OCF 7a_100009878257_100015361967 [0,2,0,0,0,0|2,0,0]=4 6716 B12R1.286 N#Cc1cc(ccc1Br)OCF 34a_100009818209_100015361967 [0,2,0,0,0,0|2,0,0]=4 6717 B12R1.286 N#Cc1cc(ccc1Br)OCF 7a_100009818209_100015361967 [0,2,0,0,0,0|2,0,0]=4 6718 B12R1.286 N#Cc1cc(ccc1Cl)OCF 34a_100000092820_100015361967 [0,2,0,0,0,0|2,0,0]=4 6719 B12R1.286 N#Cc1cc(ccc1Cl)OCF 7a_100000092820_100015361967 [0,2,0,0,0,0|2,0,0]=4 6720 B12R1.286 N#Cc1cc(ccc1F)OCF 34a_100000070142_100015361967 [0,2,0,0,0,0|2,0,0]=4 6721 B12R1.286 N#Cc1cc(ccc1F)OCF 7a_100000070142_100015361967 [0,2,0,0,0,0|2,0,0]=4 6722 B12R1.286 N#Cc1cc(ccc1N)OCF 34a_200011997737_100015361967 [0,2,0,0,0,0|2,0,0]=4 6723 B12R1.286 N#Cc1cc(ccc1N)OCF 7a_200011997737_100015361967 [0,2,0,0,0,0|2,0,0]=4 6724 B12R1.286 OCc1cc(ccc1Br)OCF 34a_100012351483_100015361967 [0,2,0,0,0,0|2,0,0]=4 6725 B12R1.286 OCc1cc(ccc1Br)OCF 7a_100012351483_100015361967 [0,2,0,0,0,0|2,0,0]=4 6726 B12R1.286 OCc1cc(ccc1Cl)OCF 34a_100000091669_100015361967 [0,2,0,0,0,0|2,0,0]=4 6727 B12R1.286 OCc1cc(ccc1Cl)OCF 7a_100000091669_100015361967 [0,2,0,0,0,0|2,0,0]=4 6728 B12R1.286 [13CH3]OCc1ccc(c(c1)C#N)Br 34a_100010145894_200025704644 [0,2,0,0,0,0|2,0,0]=4 6729 B12R1.286 [13CH3]OCc1ccc(c(c1)C#N)Br 7a_100010145894_200025704644 [0,2,0,0,0,0|2,0,0]=4 6730 B12R1.286 [13CH3]OCc1ccc(c(c1)C#N)F 34a_100011220027_200025704644 [0,2,0,0,0,0|2,0,0]=4 6731 B12R1.286 [13CH3]OCc1ccc(c(c1)C#N)F 7a_100011220027_200025704644 [0,2,0,0,0,0|2,0,0]=4 6732 B12R1.382 C#CCNc1cccc(c1)CC 2230a_100000211250_100000038162 [0,2,0,0,0,0|2,0,0]=4 6733 B12R1.382 C#CCNc1cccc(c1)CC 34a_100000211250_100000184674 [0,2,0,0,0,0|2,0,0]=4 6734 B12R1.382 C#CCNc1cccc(c1)CC 7a_100000211250_100000038162 [0,2,0,0,0,0|2,0,0]=4 6735 B12R1.382 C#CCNc1cccc(c1)OC 34a_100000210024_100000184674 [0,2,0,0,0,0|1,0,0]=3 6736 B12R1.382 C#CCNc1cccc(c1)SC 2230a_100000210049_100000038162 [0,2,0,0,0,0|1,1,0]=4 6737 B12R1.382 C#CCNc1cccc(c1)SC 34a_100000210049_100000184674 [0,2,0,0,0,0|1,1,0]=4 6738 B12R1.382 C#CCOc1ccc[n+](c1)CC 34a_100000731997_100000184674 [0,2,0,0,0,0|2,0,0]=4 6739 B12R1.382 C#CCOc1ccc[n+](c1)CC 7a_100000731997_100000038162 [0,2,0,0,0,0|2,0,0]=4 6740 B12R1.382 C#CCOc1cccc(c1)C#C 34a_100011216014_100000184674 [0,2,0,0,0,0|1,0,1]=4 6741 B12R1.382 C#CCOc1cccc(c1)C#C 7a_100011216014_100000038162 [0,2,0,0,0,0|1,0,1]=4 6742 B12R1.382 C#CCOc1cccc(c1)C#N 34a_100000184713_100000184674 [0,2,0,0,0,0|2,0,0]=4 6743 B12R1.382 C#CCOc1cccc(c1)C#N 7a_100000184713_100000038162 [0,2,0,0,0,0|2,0,0]=4 6744 B12R1.382 C#CCOc1cccc(c1)C=C 34a_100011309434_100000184674 [0,2,0,0,0,0|1,0,1]=4 6745 B12R1.382 C#CCOc1cccc(c1)C=C 7a_100011309434_100000038162 [0,2,0,0,0,0|1,0,1]=4 6746 B12R1.382 C#CCOc1cccc(c1)CBr 34a_100011660834_100000184674 [0,2,0,0,0,0|2,0,0]=4 6747 B12R1.382 C#CCOc1cccc(c1)CBr 7a_100011660834_100000038162 [0,2,0,0,0,0|2,0,0]=4 6748 B12R1.382 C#CCOc1cccc(c1)CC 34a_100000211550_100000184674 [0,2,0,0,0,0|1,0,0]=3 6749 B12R1.382 C#CCOc1cccc(c1)CC 7a_100000211550_100000038162 [0,2,0,0,0,0|1,0,0]=3 6750 B12R1.382 C#CCOc1cccc(c1)CCl 34a_100000084143_100000184674 [0,2,0,0,0,0|2,0,0]=4 6751 B12R1.382 C#CCOc1cccc(c1)CCl 7a_100000084143_100000038162 [0,2,0,0,0,0|2,0,0]=4 6752 B12R1.382 C#CCOc1cccc(c1)CN 34a_100000743036_100000184674 [0,2,0,0,0,0|2,0,0]=4 6753 B12R1.382 C#CCOc1cccc(c1)CO 34a_100011214949_100000184674 [0,2,0,0,0,0|2,0,0]=4 6754 B12R1.382 C#CCOc1cccc(c1)CO 7a_100011214949_100000038162 [0,2,0,0,0,0|2,0,0]=4 6755 B12R1.382 C#CCOc1cccc(c1)NC 34a_100000756613_100000184674 [0,2,0,0,0,0|1,0,0]=3 6756 B12R1.382 C#CCOc1cccc(c1)NC 7a_100000756613_100000038162 [0,2,0,0,0,0|1,0,0]=3 6757 B12R1.382 C#CCOc1cccc(c1)OC 34a_100000211255_100000184674 [0,2,0,0,0,0|0,0,0]=2 6758 B12R1.382 C#CCOc1cccc(c1)OC 7a_100000211255_100000038162 [0,2,0,0,0,0|0,0,0]=2 6759 B12R1.382 C#CCOc1cccc(c1)SC 34a_100011265683_100000184674 [0,2,0,0,0,0|0,1,0]=3 6760 B12R1.382 C#CCOc1cccc(c1)SC 7a_100011265683_100000038162 [0,2,0,0,0,0|0,1,0]=3 6761 B12R1.382 C#CCOc1ccnc(c1)OC 34a_100012181050_100000184674 [0,2,0,0,0,0|1,0,0]=3 6762 B12R1.382 C#CCOc1cncc(c1)CC 34a_200009861530_100000184674 [0,2,0,0,0,0|2,0,0]=4 6763 B12R1.382 C#CCOc1cncc(c1)CC 7a_200009861530_100000038162 [0,2,0,0,0,0|2,0,0]=4 6764 B12R1.382 C#CCOc1cncc(c1)OC 34a_100000084572_100000184674 [0,2,0,0,0,0|1,0,0]=3 6765 B12R1.382 C#CCOc1cncc(c1)OC 7a_100000084572_100000038162 [0,2,0,0,0,0|1,0,0]=3 6766 B12R1.382 C#CCSc1cc(ccn1)OC 62a_100000038162_100011216251 [0,2,0,0,0,0|1,1,0]=4 6767 B12R1.382 C#CCSc1cccc(c1)CC 62a_100000038162_100011263222 [0,2,0,0,0,0|1,1,0]=4 6768 B12R1.382 C#CCSc1cccc(c1)NC 62a_100000038162_100000219648 [0,2,0,0,0,0|1,1,0]=4 6769 B12R1.382 C#CCSc1cccc(c1)OC 62a_100000038162_100000170001 [0,2,0,0,0,0|0,1,0]=3 6770 B12R1.382 C#CCSc1cccc(c1)SC 62a_100000038162_100011215954 [0,2,0,0,0,0|0,2,0]=4 6771 B12R1.382 C#CCSc1cccc(n1)OC 62a_100000038162_100000760917 [0,2,0,0,0,0|1,1,0]=4 6772 B12R1.382 C#CCSc1ccnc(c1)OC 62a_100000038162_100000117307 [0,2,0,0,0,0|1,1,0]=4 6773 B12R1.382 C#CCSc1cncc(c1)OC 62a_100000038162_100000050176 [0,2,0,0,0,0|1,1,0]=4 6774 B12R1.382 C#Cc1cccc(c1)COCC 34a_100010272118_100000210202 [0,2,0,0,0,0|1,0,1]=4 6775 B12R1.382 C#Cc1cccc(c1)COCC 7a_100010272118_100000210202 [0,2,0,0,0,0|1,0,1]=4 6776 B12R1.382 C#Cc1cccc(c1)COCF 34a_100010272118_100015361967 [0,2,0,0,0,0|1,0,1]=4 6777 B12R1.382 C#Cc1cccc(c1)COCF 7a_100010272118_100015361967 [0,2,0,0,0,0|1,0,1]=4 6778 B12R1.382 C#Cc1cccc(c1)NCOC 2230a_100000735509_100000766300 [0,2,0,0,0,0|1,0,1]=4 6779 B12R1.382 C#Cc1cccc(c1)OCC#N 7a_100011216014_100011215382 [0,2,0,0,0,0|1,0,1]=4 6780 B12R1.382 C#Cc1cccc(c1)OCC=C 34a_100011216014_100015514636 [0,2,0,0,0,0|1,0,1]=4 6781 B12R1.382 C#Cc1cccc(c1)OCC=C 7a_100011216014_100015514636 [0,2,0,0,0,0|1,0,1]=4 6782 B12R1.382 C#Cc1cccc(c1)OCC=O 34a_100011216014_200009817547 [0,2,0,0,0,0|1,0,1]=4 6783 B12R1.382 C#Cc1cccc(c1)OCC=O 7a_100011216014_200015260668 [0,2,0,0,0,0|1,0,1]=4 6784 B12R1.382 C#Cc1cccc(c1)OCCC 34a_100011216014_100000210303 [0,2,0,0,0,0|1,0,1]=4 6785 B12R1.382 C#Cc1cccc(c1)OCCC 7a_100011216014_100000210303 [0,2,0,0,0,0|1,0,1]=4 6786 B12R1.382 C#Cc1cccc(c1)OCCF 34a_100011216014_100011217306 [0,2,0,0,0,0|1,0,1]=4 6787 B12R1.382 C#Cc1cccc(c1)OCCF 7a_100011216014_100011217306 [0,2,0,0,0,0|1,0,1]=4 6788 B12R1.382 C#Cc1cccc(c1)OCCO 34a_100011216014_100000211926 [0,2,0,0,0,0|1,0,1]=4 6789 B12R1.382 C#Cc1cccc(c1)OCCO 7a_100011216014_100000211926 [0,2,0,0,0,0|1,0,1]=4 6790 B12R1.382 C#Cc1cccc(c1)OCSC 34a_100011216014_100011218213 [0,2,0,0,0,0|1,0,1]=4 6791 B12R1.382 C=CCNc1cccc(c1)CC 2230a_100000211250_100000210623 [0,2,0,0,0,0|2,0,0]=4 6792 B12R1.382 C=CCNc1cccc(c1)CC 34a_100000211250_100015514636 [0,2,0,0,0,0|2,0,0]=4 6793 B12R1.382 C=CCNc1cccc(c1)CC 7a_100000211250_100015514636 [0,2,0,0,0,0|2,0,0]=4 6794 B12R1.382 C=CCNc1cccc(c1)OC 34a_100000210024_100015514636 [0,2,0,0,0,0|1,0,0]=3 6795 B12R1.382 C=CCNc1cccc(c1)SC 2230a_100000210049_100000210623 [0,2,0,0,0,0|1,1,0]=4 6796 B12R1.382 C=CCNc1cccc(c1)SC 34a_100000210049_100015514636 [0,2,0,0,0,0|1,1,0]=4 6797 B12R1.382 C=CCOc1ccc[n+](c1)CC 34a_100000731997_100015514636 [0,2,0,0,0,0|2,0,0]=4 6798 B12R1.382 C=CCOc1ccc[n+](c1)CC 7a_100000731997_100015514636 [0,2,0,0,0,0|2,0,0]=4 6799 B12R1.382 C=CCOc1cccc(c1)C#N 34a_100000184713_100015514636 [0,2,0,0,0,0|2,0,0]=4 6800 B12R1.382 C=CCOc1cccc(c1)C#N 7a_100000184713_100015514636 [0,2,0,0,0,0|2,0,0]=4 6801 B12R1.382 C=CCOc1cccc(c1)C=C 34a_100011309434_100015514636 [0,2,0,0,0,0|1,0,1]=4 6802 B12R1.382 C=CCOc1cccc(c1)C=C 7a_100011309434_100015514636 [0,2,0,0,0,0|1,0,1]=4 6803 B12R1.382 C=CCOc1cccc(c1)CBr 34a_100011660834_100015514636 [0,2,0,0,0,0|2,0,0]=4 6804 B12R1.382 C=CCOc1cccc(c1)CBr 7a_100011660834_100015514636 [0,2,0,0,0,0|2,0,0]=4 6805 B12R1.382 C=CCOc1cccc(c1)CC 34a_100000211550_100015514636 [0,2,0,0,0,0|1,0,0]=3 6806 B12R1.382 C=CCOc1cccc(c1)CC 7a_100000211550_100015514636 [0,2,0,0,0,0|1,0,0]=3 6807 B12R1.382 C=CCOc1cccc(c1)CCl 34a_100000084143_100015514636 [0,2,0,0,0,0|2,0,0]=4 6808 B12R1.382 C=CCOc1cccc(c1)CCl 7a_100000084143_100015514636 [0,2,0,0,0,0|2,0,0]=4 6809 B12R1.382 C=CCOc1cccc(c1)CN 34a_100000743036_100015514636 [0,2,0,0,0,0|2,0,0]=4 6810 B12R1.382 C=CCOc1cccc(c1)CO 34a_100011214949_100015514636 [0,2,0,0,0,0|2,0,0]=4 6811 B12R1.382 C=CCOc1cccc(c1)CO 7a_100011214949_100015514636 [0,2,0,0,0,0|2,0,0]=4 6812 B12R1.382 C=CCOc1cccc(c1)NC 34a_100000756613_100015514636 [0,2,0,0,0,0|1,0,0]=3 6813 B12R1.382 C=CCOc1cccc(c1)NC 7a_100000756613_100015514636 [0,2,0,0,0,0|1,0,0]=3 6814 B12R1.382 C=CCOc1cccc(c1)OC 34a_100000211255_100015514636 [0,2,0,0,0,0|0,0,0]=2 6815 B12R1.382 C=CCOc1cccc(c1)OC 7a_100000211255_100015514636 [0,2,0,0,0,0|0,0,0]=2 6816 B12R1.382 C=CCOc1cccc(c1)SC 34a_100011265683_100015514636 [0,2,0,0,0,0|0,1,0]=3 6817 B12R1.382 C=CCOc1cccc(c1)SC 7a_100011265683_100015514636 [0,2,0,0,0,0|0,1,0]=3 6818 B12R1.382 C=CCOc1ccnc(c1)OC 34a_100012181050_100015514636 [0,2,0,0,0,0|1,0,0]=3 6819 B12R1.382 C=CCOc1cncc(c1)CC 34a_200009861530_100015514636 [0,2,0,0,0,0|2,0,0]=4 6820 B12R1.382 C=CCOc1cncc(c1)CC 7a_200009861530_100015514636 [0,2,0,0,0,0|2,0,0]=4 6821 B12R1.382 C=CCOc1cncc(c1)OC 34a_100000084572_100015514636 [0,2,0,0,0,0|1,0,0]=3 6822 B12R1.382 C=CCOc1cncc(c1)OC 7a_100000084572_100015514636 [0,2,0,0,0,0|1,0,0]=3 6823 B12R1.382 C=CCSc1cc(ccn1)OC 62a_100000210623_100011216251 [0,2,0,0,0,0|1,1,0]=4 6824 B12R1.382 C=CCSc1cc(ccn1)OC 62a_100009817693_100000210623 [0,2,0,0,0,0|1,1,0]=4 6825 B12R1.382 C=CCSc1cccc(c1)CC 62a_100000210623_100011263222 [0,2,0,0,0,0|1,1,0]=4 6826 B12R1.382 C=CCSc1cccc(c1)CC 62a_100011263222_100000210623 [0,2,0,0,0,0|1,1,0]=4 6827 B12R1.382 C=CCSc1cccc(c1)NC 62a_100000210623_100000219648 [0,2,0,0,0,0|1,1,0]=4 6828 B12R1.382 C=CCSc1cccc(c1)NC 62a_100000219648_100000210623 [0,2,0,0,0,0|1,1,0]=4 6829 B12R1.382 C=CCSc1cccc(c1)OC 62a_100000210623_100000170001 [0,2,0,0,0,0|0,1,0]=3 6830 B12R1.382 C=CCSc1cccc(c1)SC 62a_100000210623_100011215954 [0,2,0,0,0,0|0,2,0]=4 6831 B12R1.382 C=CCSc1cccc(c1)SC 62a_100011215954_100000210623 [0,2,0,0,0,0|0,2,0]=4 6832 B12R1.382 C=CCSc1cccc(n1)OC 62a_100000210623_100000760917 [0,2,0,0,0,0|1,1,0]=4 6833 B12R1.382 C=CCSc1cccc(n1)OC 62a_100000760917_100000210623 [0,2,0,0,0,0|1,1,0]=4 6834 B12R1.382 C=CCSc1ccnc(c1)OC 62a_100000117307_100000210623 [0,2,0,0,0,0|1,1,0]=4 6835 B12R1.382 C=CCSc1ccnc(c1)OC 62a_100000210623_100000117307 [0,2,0,0,0,0|1,1,0]=4 6836 B12R1.382 C=CCSc1cncc(c1)OC 62a_100000050176_100000210623 [0,2,0,0,0,0|1,1,0]=4 6837 B12R1.382 C=CCSc1cncc(c1)OC 62a_100000210623_100000050176 [0,2,0,0,0,0|1,1,0]=4 6838 B12R1.382 C=Cc1cccc(c1)COCC 271570a_100011290941_100011493694 [0,2,0,0,0,0|1,0,1]=4 6839 B12R1.382 C=Cc1cccc(c1)OCC#N 271570a_100011290941_200000169433 [0,2,0,0,0,0|1,0,1]=4 6840 B12R1.382 C=Cc1cccc(c1)OCC#N 7a_100011309434_100011215382 [0,2,0,0,0,0|1,0,1]=4 6841 B12R1.382 C=Cc1cccc(c1)OCC=O 34a_100011309434_200009817547 [0,2,0,0,0,0|1,0,1]=4 6842 B12R1.382 C=Cc1cccc(c1)OCC=O 7a_100011309434_200015260668 [0,2,0,0,0,0|1,0,1]=4 6843 B12R1.382 C=Cc1cccc(c1)OCCC 271570a_100011290941_100000170004 [0,2,0,0,0,0|1,0,1]=4 6844 B12R1.382 C=Cc1cccc(c1)OCCC 34a_100011309434_100000210303 [0,2,0,0,0,0|1,0,1]=4 6845 B12R1.382 C=Cc1cccc(c1)OCCC 7a_100011309434_100000210303 [0,2,0,0,0,0|1,0,1]=4 6846 B12R1.382 C=Cc1cccc(c1)OCCF 34a_100011309434_100011217306 [0,2,0,0,0,0|1,0,1]=4 6847 B12R1.382 C=Cc1cccc(c1)OCCF 7a_100011309434_100011217306 [0,2,0,0,0,0|1,0,1]=4 6848 B12R1.382 C=Cc1cccc(c1)OCCN 271570a_100011290941_100000743521 [0,2,0,0,0,0|1,0,1]=4 6849 B12R1.382 C=Cc1cccc(c1)OCCO 271570a_100011290941_100000757546 [0,2,0,0,0,0|1,0,1]=4 6850 B12R1.382 C=Cc1cccc(c1)OCCO 34a_100011309434_100000211926 [0,2,0,0,0,0|1,0,1]=4 6851 B12R1.382 C=Cc1cccc(c1)OCCO 7a_100011309434_100000211926 [0,2,0,0,0,0|1,0,1]=4 6852 B12R1.382 C=Cc1cccc(c1)OCOC 271570a_100011290941_100012265688 [0,2,0,0,0,0|1,0,1]=4 6853 B12R1.382 C=Cc1cccc(c1)OCSC 34a_100011309434_100011218213 [0,2,0,0,0,0|1,0,1]=4 6854 B12R1.382 C=Cc1cccc(c1)SCOC 62a_100000766300_100011215241 [0,2,0,0,0,0|1,0,1]=4 6855 B12R1.382 C=Cc1cccc(c1)SCOC 62a_100011215241_100000766300 [0,2,0,0,0,0|1,0,1]=4 6856 B12R1.382 CC=NNc1cccc(c1)OC 4a_100000722927_200000210099 [0,2,0,0,0,0|1,0,0]=3 6857 B12R1.382 CC=NNc1cccc(n1)OC 4a_100000698482_200000210099 [0,2,0,0,0,0|2,0,0]=4 6858 B12R1.382 CCCCc1cc(ccn1)OC 271570a_100020621405_100011216251 [0,2,0,0,0,0|2,0,0]=4 6859 B12R1.382 CCCCc1cccc(c1)CC 271570a_100020621405_100000684523 [0,2,0,0,0,0|2,0,0]=4 6860 B12R1.382 CCCCc1cccc(c1)NC 2230a_200012017287_200000210301 [0,2,0,0,0,0|2,0,0]=4 6861 B12R1.382 CCCCc1cccc(c1)NC 271570a_100020621405_100000219648 [0,2,0,0,0,0|2,0,0]=4 6862 B12R1.382 CCCCc1cccc(c1)NC 34a_200012017287_200000210301 [0,2,0,0,0,0|2,0,0]=4 6863 B12R1.382 CCCCc1cccc(c1)NC 7a_200012017287_200000210301 [0,2,0,0,0,0|2,0,0]=4 6864 B12R1.382 CCCCc1cccc(c1)N[13CH3] 2230a_200012017287_200025704644 [0,2,0,0,0,0|2,0,0]=4 6865 B12R1.382 CCCCc1cccc(c1)N[13CH3] 34a_200012017287_200025704644 [0,2,0,0,0,0|2,0,0]=4 6866 B12R1.382 CCCCc1cccc(c1)N[13CH3] 7a_200012017287_200025704644 [0,2,0,0,0,0|2,0,0]=4 6867 B12R1.382 CCCCc1cccc(c1)OC 271570a_100020621405_100000170001 [0,2,0,0,0,0|1,0,0]=3 6868 B12R1.382 CCCCc1cccc(c1)SC 271570a_100020621405_100011215954 [0,2,0,0,0,0|1,1,0]=4 6869 B12R1.382 CCCCc1cccc(c1)SC 62a_200000210301_200010244551 [0,2,0,0,0,0|1,1,0]=4 6870 B12R1.382 CCCCc1cccc(c1)SC 62a_200010244551_200000210301 [0,2,0,0,0,0|1,1,0]=4 6871 B12R1.382 CCCCc1cccc(c1)S[13CH3] 62a_200010244551_200025704644 [0,2,0,0,0,0|1,1,0]=4 6872 B12R1.382 CCCCc1cccc(c1)S[13CH3] 62a_200025704644_200010244551 [0,2,0,0,0,0|1,1,0]=4 6873 B12R1.382 CCCCc1cccc(n1)OC 271570a_100020621405_100000760917 [0,2,0,0,0,0|2,0,0]=4 6874 B12R1.382 CCCCc1ccnc(c1)OC 271570a_100020621405_100000117307 [0,2,0,0,0,0|2,0,0]=4 6875 B12R1.382 CCCCc1cncc(c1)OC 271570a_100020621405_100000684773 [0,2,0,0,0,0|2,0,0]=4 6876 B12R1.382 CCCNc1cccc(c1)CC 2230a_100000211250_100000210303 [0,2,0,0,0,0|2,0,0]=4 6877 B12R1.382 CCCNc1cccc(c1)CC 34a_100000211250_100000210303 [0,2,0,0,0,0|2,0,0]=4 6878 B12R1.382 CCCNc1cccc(c1)CC 7a_100000211250_100000210303 [0,2,0,0,0,0|2,0,0]=4 6879 B12R1.382 CCCNc1cccc(c1)OC 34a_100000210024_100000210303 [0,2,0,0,0,0|1,0,0]=3 6880 B12R1.382 CCCNc1cccc(c1)SC 2230a_100000210049_100000210303 [0,2,0,0,0,0|1,1,0]=4 6881 B12R1.382 CCCNc1cccc(c1)SC 34a_100000210049_100000210303 [0,2,0,0,0,0|1,1,0]=4 6882 B12R1.382 CCCOc1ccc[n+](c1)CC 34a_100000731997_100000210303 [0,2,0,0,0,0|2,0,0]=4 6883 B12R1.382 CCCOc1ccc[n+](c1)CC 7a_100000731997_100000210303 [0,2,0,0,0,0|2,0,0]=4 6884 B12R1.382 CCCOc1cccc(c1)C#N 34a_100000184713_100000210303 [0,2,0,0,0,0|2,0,0]=4 6885 B12R1.382 CCCOc1cccc(c1)C#N 7a_100000184713_100000210303 [0,2,0,0,0,0|2,0,0]=4 6886 B12R1.382 CCCOc1cccc(c1)CBr 34a_100011660834_100000210303 [0,2,0,0,0,0|2,0,0]=4 6887 B12R1.382 CCCOc1cccc(c1)CBr 7a_100011660834_100000210303 [0,2,0,0,0,0|2,0,0]=4 6888 B12R1.382 CCCOc1cccc(c1)CC 34a_100000211550_100000210303 [0,2,0,0,0,0|1,0,0]=3 6889 B12R1.382 CCCOc1cccc(c1)CC 7a_100000211550_100000210303 [0,2,0,0,0,0|1,0,0]=3 6890 B12R1.382 CCCOc1cccc(c1)CCl 34a_100000084143_100000210303 [0,2,0,0,0,0|2,0,0]=4 6891 B12R1.382 CCCOc1cccc(c1)CCl 7a_100000084143_100000210303 [0,2,0,0,0,0|2,0,0]=4 6892 B12R1.382 CCCOc1cccc(c1)CN 34a_100000743036_100000210303 [0,2,0,0,0,0|2,0,0]=4 6893 B12R1.382 CCCOc1cccc(c1)CO 34a_100011214949_100000210303 [0,2,0,0,0,0|2,0,0]=4 6894 B12R1.382 CCCOc1cccc(c1)CO 7a_100011214949_100000210303 [0,2,0,0,0,0|2,0,0]=4 6895 B12R1.382 CCCOc1cccc(c1)NC 34a_100000756613_100000210303 [0,2,0,0,0,0|1,0,0]=3 6896 B12R1.382 CCCOc1cccc(c1)NC 7a_100000756613_100000210303 [0,2,0,0,0,0|1,0,0]=3 6897 B12R1.382 CCCOc1cccc(c1)OC 34a_100000211255_100000210303 [0,2,0,0,0,0|0,0,0]=2 6898 B12R1.382 CCCOc1cccc(c1)OC 34a_100000748497_200000210301 [0,2,0,0,0,0|0,0,0]=2 6899 B12R1.382 CCCOc1cccc(c1)OC 7a_100000211255_100000210303 [0,2,0,0,0,0|0,0,0]=2 6900 B12R1.382 CCCOc1cccc(c1)OC 7a_100000748497_200000210301 [0,2,0,0,0,0|0,0,0]=2 6901 B12R1.382 CCCOc1cccc(c1)O[13CH3] 34a_100000748497_200025704644 [0,2,0,0,0,0|0,0,0]=2 6902 B12R1.382 CCCOc1cccc(c1)O[13CH3] 7a_100000748497_200025704644 [0,2,0,0,0,0|0,0,0]=2 6903 B12R1.382 CCCOc1cccc(c1)SC 34a_100011265683_100000210303 [0,2,0,0,0,0|0,1,0]=3 6904 B12R1.382 CCCOc1cccc(c1)SC 62a_100000170004_200000210301 [0,2,0,0,0,0|0,1,0]=3 6905 B12R1.382 CCCOc1cccc(c1)SC 62a_200000210301_100000170004 [0,2,0,0,0,0|0,1,0]=3 6906 B12R1.382 CCCOc1cccc(c1)SC 7a_100011265683_100000210303 [0,2,0,0,0,0|0,1,0]=3 6907 B12R1.382 CCCOc1cccc(c1)S[13CH3] 62a_100000170004_200025704644 [0,2,0,0,0,0|0,1,0]=3 6908 B12R1.382 CCCOc1cccc(c1)S[13CH3] 62a_200025704644_100000170004 [0,2,0,0,0,0|0,1,0]=3 6909 B12R1.382 CCCOc1cccc(n1)NC 27a_100102657272_200011960250 [0,2,0,0,0,0|2,0,0]=4 6910 B12R1.382 CCCOc1cccc(n1)SC 62a_200000210301_200011960250 [0,2,0,0,0,0|1,1,0]=4 6911 B12R1.382 CCCOc1cccc(n1)SC 62a_200011960250_200000210301 [0,2,0,0,0,0|1,1,0]=4 6912 B12R1.382 CCCOc1cccc(n1)S[13CH3] 62a_200011960250_200025704644 [0,2,0,0,0,0|1,1,0]=4 6913 B12R1.382 CCCOc1cccc(n1)S[13CH3] 62a_200025704644_200011960250 [0,2,0,0,0,0|1,1,0]=4 6914 B12R1.382 CCCOc1ccnc(c1)OC 34a_100012181050_100000210303 [0,2,0,0,0,0|1,0,0]=3 6915 B12R1.382 CCCOc1cncc(c1)CC 34a_200009861530_100000210303 [0,2,0,0,0,0|2,0,0]=4 6916 B12R1.382 CCCOc1cncc(c1)CC 7a_200009861530_100000210303 [0,2,0,0,0,0|2,0,0]=4 6917 B12R1.382 CCCOc1cncc(c1)OC 34a_100000084572_100000210303 [0,2,0,0,0,0|1,0,0]=3 6918 B12R1.382 CCCOc1cncc(c1)OC 7a_100000084572_100000210303 [0,2,0,0,0,0|1,0,0]=3 6919 B12R1.382 CCCOc1cncc(c1)SC 62a_200000210301_200012029621 [0,2,0,0,0,0|1,1,0]=4 6920 B12R1.382 CCCOc1cncc(c1)SC 62a_200012029621_200000210301 [0,2,0,0,0,0|1,1,0]=4 6921 B12R1.382 CCCOc1cncc(c1)S[13CH3] 62a_200012029621_200025704644 [0,2,0,0,0,0|1,1,0]=4 6922 B12R1.382 CCCOc1cncc(c1)S[13CH3] 62a_200025704644_200012029621 [0,2,0,0,0,0|1,1,0]=4 6923 B12R1.382 CCCSc1cc(ccn1)OC 62a_100000210303_100011216251 [0,2,0,0,0,0|1,1,0]=4 6924 B12R1.382 CCCSc1cc(ccn1)OC 62a_100009817693_100000210303 [0,2,0,0,0,0|1,1,0]=4 6925 B12R1.382 CCCSc1cccc(c1)CC 62a_100000210303_100011263222 [0,2,0,0,0,0|1,1,0]=4 6926 B12R1.382 CCCSc1cccc(c1)CC 62a_100011263222_100000210303 [0,2,0,0,0,0|1,1,0]=4 6927 B12R1.382 CCCSc1cccc(c1)NC 62a_100000210303_100000219648 [0,2,0,0,0,0|1,1,0]=4 6928 B12R1.382 CCCSc1cccc(c1)NC 62a_100000219648_100000210303 [0,2,0,0,0,0|1,1,0]=4 6929 B12R1.382 CCCSc1cccc(c1)OC 62a_100000210303_100000170001 [0,2,0,0,0,0|0,1,0]=3 6930 B12R1.382 CCCSc1cccc(c1)SC 62a_100000210303_100011215954 [0,2,0,0,0,0|0,2,0]=4 6931 B12R1.382 CCCSc1cccc(c1)SC 62a_100011215954_100000210303 [0,2,0,0,0,0|0,2,0]=4 6932 B12R1.382 CCCSc1cccc(c1)SC 62a_200000210301_200009815762 [0,2,0,0,0,0|0,2,0]=4 6933 B12R1.382 CCCSc1cccc(c1)SC 62a_200009815762_200000210301 [0,2,0,0,0,0|0,2,0]=4 6934 B12R1.382 CCCSc1cccc(c1)S[13CH3] 62a_200009815762_200025704644 [0,2,0,0,0,0|0,2,0]=4 6935 B12R1.382 CCCSc1cccc(c1)S[13CH3] 62a_200025704644_200009815762 [0,2,0,0,0,0|0,2,0]=4 6936 B12R1.382 CCCSc1cccc(n1)OC 62a_100000210303_100000760917 [0,2,0,0,0,0|1,1,0]=4 6937 B12R1.382 CCCSc1cccc(n1)OC 62a_100000760917_100000210303 [0,2,0,0,0,0|1,1,0]=4 6938 B12R1.382 CCCSc1ccnc(c1)OC 62a_100000117307_100000210303 [0,2,0,0,0,0|1,1,0]=4 6939 B12R1.382 CCCSc1ccnc(c1)OC 62a_100000210303_100000117307 [0,2,0,0,0,0|1,1,0]=4 6940 B12R1.382 CCCSc1cncc(c1)OC 62a_100000050176_100000210303 [0,2,0,0,0,0|1,1,0]=4 6941 B12R1.382 CCCSc1cncc(c1)OC 62a_100000210303_100000050176 [0,2,0,0,0,0|1,1,0]=4 6942 B12R1.382 CCNCc1cc(ccn1)OC 207a_100015525214_100000087537 [0,2,0,0,0,0|2,0,0]=4 6943 B12R1.382 CCNCc1cc(ccn1)OC 2230a_100015525214_100000752681 [0,2,0,0,0,0|2,0,0]=4 6944 B12R1.382 CCNCc1cc(ccn1)OC 270004a_100015525214_100000087537 [0,2,0,0,0,0|2,0,0]=4 6945 B12R1.382 CCNCc1cccc(c1)CC 207a_100015525214_100011999841 [0,2,0,0,0,0|2,0,0]=4 6946 B12R1.382 CCNCc1cccc(c1)CC 270004a_100015525214_100011999841 [0,2,0,0,0,0|2,0,0]=4 6947 B12R1.382 CCNCc1cccc(c1)OC 207a_100015525214_100000170238 [0,2,0,0,0,0|1,0,0]=3 6948 B12R1.382 CCNCc1cccc(c1)OC 2230a_100000174954_100000210202 [0,2,0,0,0,0|1,0,0]=3 6949 B12R1.382 CCNCc1cccc(c1)OC 2230a_100015525214_100000211672 [0,2,0,0,0,0|1,0,0]=3 6950 B12R1.382 CCNCc1cccc(c1)OC 270004a_100015525214_100000170238 [0,2,0,0,0,0|1,0,0]=3 6951 B12R1.382 CCNCc1cccc(c1)OC 34a_100000174954_100000210202 [0,2,0,0,0,0|1,0,0]=3 6952 B12R1.382 CCNCc1cccc(c1)OC 34a_100000201218_200000210301 [0,2,0,0,0,0|1,0,0]=3 6953 B12R1.382 CCNCc1cccc(c1)O[13CH3] 34a_100000201218_200025704644 [0,2,0,0,0,0|1,0,0]=3 6954 B12R1.382 CCNCc1cccc(c1)SC 207a_100015525214_100011935093 [0,2,0,0,0,0|1,1,0]=4 6955 B12R1.382 CCNCc1cccc(c1)SC 270004a_100015525214_100011935093 [0,2,0,0,0,0|1,1,0]=4 6956 B12R1.382 CCNCc1cccc(c1)SC 62a_100000187426_200000210301 [0,2,0,0,0,0|1,1,0]=4 6957 B12R1.382 CCNCc1cccc(c1)SC 62a_200000210301_100000187426 [0,2,0,0,0,0|1,1,0]=4 6958 B12R1.382 CCNCc1cccc(c1)S[13CH3] 62a_100000187426_200025704644 [0,2,0,0,0,0|1,1,0]=4 6959 B12R1.382 CCNCc1cccc(c1)S[13CH3] 62a_200025704644_100000187426 [0,2,0,0,0,0|1,1,0]=4 6960 B12R1.382 CCNCc1cccc(n1)OC 207a_100015525214_100000694346 [0,2,0,0,0,0|2,0,0]=4 6961 B12R1.382 CCNCc1cccc(n1)OC 2230a_100000746380_100000210202 [0,2,0,0,0,0|2,0,0]=4 6962 B12R1.382 CCNCc1cccc(n1)OC 2230a_100015525214_100000755263 [0,2,0,0,0,0|2,0,0]=4 6963 B12R1.382 CCNCc1cccc(n1)OC 270004a_100015525214_100000694346 [0,2,0,0,0,0|2,0,0]=4 6964 B12R1.382 CCNCc1ccnc(c1)OC 207a_100015525214_100000050969 [0,2,0,0,0,0|2,0,0]=4 6965 B12R1.382 CCNCc1ccnc(c1)OC 2230a_100015525214_100103152439 [0,2,0,0,0,0|2,0,0]=4 6966 B12R1.382 CCNCc1ccnc(c1)OC 270004a_100015525214_100000050969 [0,2,0,0,0,0|2,0,0]=4 6967 B12R1.382 CCNCc1cncc(c1)OC 207a_100015525214_100011361638 [0,2,0,0,0,0|2,0,0]=4 6968 B12R1.382 CCNCc1cncc(c1)OC 2230a_100020589029_100000210202 [0,2,0,0,0,0|2,0,0]=4 6969 B12R1.382 CCNCc1cncc(c1)OC 270004a_100015525214_100011361638 [0,2,0,0,0,0|2,0,0]=4 6970 B12R1.382 CCNCc1cncc(c1)OC 34a_100020589029_100000210202 [0,2,0,0,0,0|2,0,0]=4 6971 B12R1.382 CCOCc1cc(ccn1)OC 34a_100000749536_100000210202 [0,2,0,0,0,0|1,0,0]=3 6972 B12R1.382 CCOCc1cc(ccn1)OC 34a_100121572206_100000752681 [0,2,0,0,0,0|1,0,0]=3 6973 B12R1.382 CCOCc1cccc(c1)C#N 34a_100000753308_100000210202 [0,2,0,0,0,0|2,0,0]=4 6974 B12R1.382 CCOCc1cccc(c1)C#N 34a_100121572206_100000233786 [0,2,0,0,0,0|2,0,0]=4 6975 B12R1.382 CCOCc1cccc(c1)C#N 7a_100000753308_100000210202 [0,2,0,0,0,0|2,0,0]=4 6976 B12R1.382 CCOCc1cccc(c1)C=O 34a_100121572206_100009816774 [0,2,0,0,0,0|2,0,0]=4 6977 B12R1.382 CCOCc1cccc(c1)CBr 34a_100010188025_100000210202 [0,2,0,0,0,0|2,0,0]=4 6978 B12R1.382 CCOCc1cccc(c1)CBr 7a_100010188025_100000210202 [0,2,0,0,0,0|2,0,0]=4 6979 B12R1.382 CCOCc1cccc(c1)CCl 34a_200000090956_100000210202 [0,2,0,0,0,0|2,0,0]=4 6980 B12R1.382 CCOCc1cccc(c1)CCl 7a_200000090956_100000210202 [0,2,0,0,0,0|2,0,0]=4 6981 B12R1.382 CCOCc1cccc(c1)CN 34a_100011269909_100000210202 [0,2,0,0,0,0|2,0,0]=4 6982 B12R1.382 CCOCc1cccc(c1)CO 34a_100121572206_100010188025 [0,2,0,0,0,0|2,0,0]=4 6983 B12R1.382 CCOCc1cccc(c1)OC 34a_100000198976_100000210202 [0,2,0,0,0,0|0,0,0]=2 6984 B12R1.382 CCOCc1cccc(c1)OC 34a_100121572206_100000688526 [0,2,0,0,0,0|0,0,0]=2 6985 B12R1.382 CCOCc1cccc(c1)SC 62a_100011493694_200000210301 [0,2,0,0,0,0|0,1,0]=3 6986 B12R1.382 CCOCc1cccc(c1)SC 62a_200000210301_100011493694 [0,2,0,0,0,0|0,1,0]=3 6987 B12R1.382 CCOCc1cccc(c1)S[13CH3] 62a_100011493694_200025704644 [0,2,0,0,0,0|0,1,0]=3 6988 B12R1.382 CCOCc1cccc(c1)S[13CH3] 62a_200025704644_100011493694 [0,2,0,0,0,0|0,1,0]=3 6989 B12R1.382 CCOCc1cccc(n1)OC 34a_100121572206_100000755263 [0,2,0,0,0,0|1,0,0]=3 6990 B12R1.382 CCOCc1ccnc(c1)OC 34a_100121572206_100103152439 [0,2,0,0,0,0|1,0,0]=3 6991 B12R1.382 CCOCc1cncc(c1)OC 34a_100000732071_100000210202 [0,2,0,0,0,0|1,0,0]=3 6992 B12R1.382 CCSCc1cc(ccn1)OC 62a_100000210202_100000752681 [0,2,0,0,0,0|1,1,0]=4 6993 B12R1.382 CCSCc1cc(ccn1)OC 62a_100000752681_100000210202 [0,2,0,0,0,0|1,1,0]=4 6994 B12R1.382 CCSCc1cccc(c1)OC 62a_100000210202_100000211672 [0,2,0,0,0,0|0,1,0]=3 6995 B12R1.382 CCSCc1cccc(c1)OC 62a_100000688526_100000210202 [0,2,0,0,0,0|0,1,0]=3 6996 B12R1.382 CCSCc1cccc(n1)OC 62a_100000210202_100000755263 [0,2,0,0,0,0|1,1,0]=4 6997 B12R1.382 CCSCc1cccc(n1)OC 62a_100000755263_100000210202 [0,2,0,0,0,0|1,1,0]=4 6998 B12R1.382 CCSCc1ccnc(c1)OC 62a_100000210202_100103152439 [0,2,0,0,0,0|1,1,0]=4 6999 B12R1.382 CCSCc1ccnc(c1)OC 62a_100103152439_100000210202 [0,2,0,0,0,0|1,1,0]=4 7000 B12R1.382 CC[n+]1cccc(c1)OCC#N 7a_100000731997_100011215382 [0,2,0,0,0,0|2,0,0]=4 7001 B12R1.382 CC[n+]1cccc(c1)OCC=O 34a_100000731997_200009817547 [0,2,0,0,0,0|2,0,0]=4 7002 B12R1.382 CC[n+]1cccc(c1)OCC=O 7a_100000731997_200015260668 [0,2,0,0,0,0|2,0,0]=4 7003 B12R1.382 CC[n+]1cccc(c1)OCCF 34a_100000731997_100011217306 [0,2,0,0,0,0|2,0,0]=4 7004 B12R1.382 CC[n+]1cccc(c1)OCCF 7a_100000731997_100011217306 [0,2,0,0,0,0|2,0,0]=4 7005 B12R1.382 CC[n+]1cccc(c1)OCCO 34a_100000731997_100000211926 [0,2,0,0,0,0|2,0,0]=4 7006 B12R1.382 CC[n+]1cccc(c1)OCCO 7a_100000731997_100000211926 [0,2,0,0,0,0|2,0,0]=4 7007 B12R1.382 CC[n+]1cccc(c1)OCSC 34a_100000731997_100011218213 [0,2,0,0,0,0|2,0,0]=4 7008 B12R1.382 CCc1cc(ccn1)SCOC 62a_100000766300_100009820011 [0,2,0,0,0,0|2,0,0]=4 7009 B12R1.382 CCc1cc(ccn1)SCOC 62a_100009820011_100000766300 [0,2,0,0,0,0|2,0,0]=4 7010 B12R1.382 CCc1cccc(c1)NCC#N 2230a_100000211250_100011215382 [0,2,0,0,0,0|2,0,0]=4 7011 B12R1.382 CCc1cccc(c1)NCC#N 7a_100000211250_100011215382 [0,2,0,0,0,0|2,0,0]=4 7012 B12R1.382 CCc1cccc(c1)NCC=O 2230a_100000211250_200015260668 [0,2,0,0,0,0|2,0,0]=4 7013 B12R1.382 CCc1cccc(c1)NCC=O 34a_100000211250_200009817547 [0,2,0,0,0,0|2,0,0]=4 7014 B12R1.382 CCc1cccc(c1)NCC=O 7a_100000211250_200015260668 [0,2,0,0,0,0|2,0,0]=4 7015 B12R1.382 CCc1cccc(c1)NCCF 2230a_100000211250_100011217306 [0,2,0,0,0,0|2,0,0]=4 7016 B12R1.382 CCc1cccc(c1)NCCF 34a_100000211250_100011217306 [0,2,0,0,0,0|2,0,0]=4 7017 B12R1.382 CCc1cccc(c1)NCCF 7a_100000211250_100011217306 [0,2,0,0,0,0|2,0,0]=4 7018 B12R1.382 CCc1cccc(c1)NCCO 2230a_100000211250_100000211926 [0,2,0,0,0,0|2,0,0]=4 7019 B12R1.382 CCc1cccc(c1)NCCO 34a_100000211250_100000211926 [0,2,0,0,0,0|2,0,0]=4 7020 B12R1.382 CCc1cccc(c1)NCCO 7a_100000211250_100000211926 [0,2,0,0,0,0|2,0,0]=4 7021 B12R1.382 CCc1cccc(c1)NCOC 2230a_100000211250_100000766300 [0,2,0,0,0,0|1,0,0]=3 7022 B12R1.382 CCc1cccc(c1)NCSC 2230a_100000211250_100011218213 [0,2,0,0,0,0|1,1,0]=4 7023 B12R1.382 CCc1cccc(c1)NCSC 34a_100000211250_100011218213 [0,2,0,0,0,0|1,1,0]=4 7024 B12R1.382 CCc1cccc(c1)OCC#N 7a_100000211550_100011215382 [0,2,0,0,0,0|1,0,0]=3 7025 B12R1.382 CCc1cccc(c1)OCC=O 34a_100000211550_200009817547 [0,2,0,0,0,0|1,0,0]=3 7026 B12R1.382 CCc1cccc(c1)OCC=O 7a_100000211550_200015260668 [0,2,0,0,0,0|1,0,0]=3 7027 B12R1.382 CCc1cccc(c1)OCCF 34a_100000211550_100011217306 [0,2,0,0,0,0|1,0,0]=3 7028 B12R1.382 CCc1cccc(c1)OCCF 7a_100000211550_100011217306 [0,2,0,0,0,0|1,0,0]=3 7029 B12R1.382 CCc1cccc(c1)OCCO 34a_100000211550_100000211926 [0,2,0,0,0,0|1,0,0]=3 7030 B12R1.382 CCc1cccc(c1)OCCO 7a_100000211550_100000211926 [0,2,0,0,0,0|1,0,0]=3 7031 B12R1.382 CCc1cccc(c1)OCSC 34a_100000211550_100011218213 [0,2,0,0,0,0|1,0,0]=3 7032 B12R1.382 CCc1cccc(c1)SCC#N 62a_100011215382_100011263222 [0,2,0,0,0,0|1,1,0]=4 7033 B12R1.382 CCc1cccc(c1)SCC#N 62a_100011263222_100011215382 [0,2,0,0,0,0|1,1,0]=4 7034 B12R1.382 CCc1cccc(c1)SCC=O 62a_100011263222_200015260668 [0,2,0,0,0,0|1,1,0]=4 7035 B12R1.382 CCc1cccc(c1)SCC=O 62a_200015260668_100011263222 [0,2,0,0,0,0|1,1,0]=4 7036 B12R1.382 CCc1cccc(c1)SCCF 62a_100011217306_100011263222 [0,2,0,0,0,0|1,1,0]=4 7037 B12R1.382 CCc1cccc(c1)SCCF 62a_100011263222_100011217306 [0,2,0,0,0,0|1,1,0]=4 7038 B12R1.382 CCc1cccc(c1)SCCO 62a_100000211926_100011263222 [0,2,0,0,0,0|1,1,0]=4 7039 B12R1.382 CCc1cccc(c1)SCCO 62a_100011263222_100000211926 [0,2,0,0,0,0|1,1,0]=4 7040 B12R1.382 CCc1cccc(c1)SCOC 62a_100000766300_100011263222 [0,2,0,0,0,0|1,0,0]=3 7041 B12R1.382 CCc1cccc(c1)SCOC 62a_100011263222_100000766300 [0,2,0,0,0,0|1,0,0]=3 7042 B12R1.382 CCc1cccc(c1)SCSC 62a_100011218213_100011263222 [0,2,0,0,0,0|1,1,0]=4 7043 B12R1.382 CCc1cccc(c1)SCSC 62a_100011263222_100011218213 [0,2,0,0,0,0|1,1,0]=4 7044 B12R1.382 CCc1cccc(n1)SCOC 62a_100000766300_100009856026 [0,2,0,0,0,0|2,0,0]=4 7045 B12R1.382 CCc1cccc(n1)SCOC 62a_100009856026_100000766300 [0,2,0,0,0,0|2,0,0]=4 7046 B12R1.382 CCc1ccnc(c1)SCOC 62a_100000766300_100009817561 [0,2,0,0,0,0|2,0,0]=4 7047 B12R1.382 CCc1ccnc(c1)SCOC 62a_100009817561_100000766300 [0,2,0,0,0,0|2,0,0]=4 7048 B12R1.382 CCc1cncc(c1)OCC#N 7a_200009861530_100011215382 [0,2,0,0,0,0|2,0,0]=4 7049 B12R1.382 CCc1cncc(c1)OCC=O 34a_200009861530_200009817547 [0,2,0,0,0,0|2,0,0]=4 7050 B12R1.382 CCc1cncc(c1)OCC=O 7a_200009861530_200015260668 [0,2,0,0,0,0|2,0,0]=4 7051 B12R1.382 CCc1cncc(c1)OCCF 34a_200009861530_100011217306 [0,2,0,0,0,0|2,0,0]=4 7052 B12R1.382 CCc1cncc(c1)OCCF 7a_200009861530_100011217306 [0,2,0,0,0,0|2,0,0]=4 7053 B12R1.382 CCc1cncc(c1)OCCO 34a_200009861530_100000211926 [0,2,0,0,0,0|2,0,0]=4 7054 B12R1.382 CCc1cncc(c1)OCCO 7a_200009861530_100000211926 [0,2,0,0,0,0|2,0,0]=4 7055 B12R1.382 CCc1cncc(c1)OCSC 34a_200009861530_100011218213 [0,2,0,0,0,0|2,0,0]=4 7056 B12R1.382 CCc1cncc(c1)SCOC 62a_100000766300_200009819073 [0,2,0,0,0,0|2,0,0]=4 7057 B12R1.382 CCc1cncc(c1)SCOC 62a_200009819073_100000766300 [0,2,0,0,0,0|2,0,0]=4 7058 B12R1.382 CNCCc1cccc(c1)OC 2230a_100000740386_200000210301 [0,2,0,0,0,0|1,0,0]=3 7059 B12R1.382 CNCCc1cccc(c1)OC 2230a_106832991635_100011713679 [0,2,0,0,0,0|1,0,0]=3 7060 B12R1.382 CNCCc1cccc(c1)OC 34a_100000740386_200000210301 [0,2,0,0,0,0|1,0,0]=3 7061 B12R1.382 CNCCc1cccc(c1)OC 34a_100102657272_100011713679 [0,2,0,0,0,0|1,0,0]=3 7062 B12R1.382 CNCCc1cccc(c1)OC 7a_106832991635_100011713679 [0,2,0,0,0,0|1,0,0]=3 7063 B12R1.382 CNc1cc(ccn1)SCOC 62a_100000766300_100009819592 [0,2,0,0,0,0|2,0,0]=4 7064 B12R1.382 CNc1cc(ccn1)SCOC 62a_100009819592_100000766300 [0,2,0,0,0,0|2,0,0]=4 7065 B12R1.382 CNc1cccc(c1)CCCO 2230a_200000698965_200000210301 [0,2,0,0,0,0|2,0,0]=4 7066 B12R1.382 CNc1cccc(c1)CCCO 34a_200000698965_200000210301 [0,2,0,0,0,0|2,0,0]=4 7067 B12R1.382 CNc1cccc(c1)CCCO 7a_200000698965_200000210301 [0,2,0,0,0,0|2,0,0]=4 7068 B12R1.382 CNc1cccc(c1)OCC#N 34a_100000739570_200000210301 [0,2,0,0,0,0|1,0,0]=3 7069 B12R1.382 CNc1cccc(c1)OCC#N 7a_100000756613_100011215382 [0,2,0,0,0,0|1,0,0]=3 7070 B12R1.382 CNc1cccc(c1)OCC=O 34a_100000756613_200009817547 [0,2,0,0,0,0|1,0,0]=3 7071 B12R1.382 CNc1cccc(c1)OCC=O 7a_100000756613_200015260668 [0,2,0,0,0,0|1,0,0]=3 7072 B12R1.382 CNc1cccc(c1)OCCF 34a_100000756613_100011217306 [0,2,0,0,0,0|1,0,0]=3 7073 B12R1.382 CNc1cccc(c1)OCCF 7a_100000756613_100011217306 [0,2,0,0,0,0|1,0,0]=3 7074 B12R1.382 CNc1cccc(c1)OCCO 2230a_100011232151_200000210301 [0,2,0,0,0,0|1,0,0]=3 7075 B12R1.382 CNc1cccc(c1)OCCO 34a_100000756613_100000211926 [0,2,0,0,0,0|1,0,0]=3 7076 B12R1.382 CNc1cccc(c1)OCCO 34a_100011232151_200000210301 [0,2,0,0,0,0|1,0,0]=3 7077 B12R1.382 CNc1cccc(c1)OCCO 7a_100000756613_100000211926 [0,2,0,0,0,0|1,0,0]=3 7078 B12R1.382 CNc1cccc(c1)OCOC 34a_100012265470_200000210301 [0,2,0,0,0,0|1,0,0]=3 7079 B12R1.382 CNc1cccc(c1)OCSC 34a_100000756613_100011218213 [0,2,0,0,0,0|1,0,0]=3 7080 B12R1.382 CNc1cccc(c1)SCC#N 62a_100000219648_100011215382 [0,2,0,0,0,0|1,1,0]=4 7081 B12R1.382 CNc1cccc(c1)SCC#N 62a_100011215382_100000219648 [0,2,0,0,0,0|1,1,0]=4 7082 B12R1.382 CNc1cccc(c1)SCC=O 62a_100000219648_200015260668 [0,2,0,0,0,0|1,1,0]=4 7083 B12R1.382 CNc1cccc(c1)SCC=O 62a_200015260668_100000219648 [0,2,0,0,0,0|1,1,0]=4 7084 B12R1.382 CNc1cccc(c1)SCCF 62a_100000219648_100011217306 [0,2,0,0,0,0|1,1,0]=4 7085 B12R1.382 CNc1cccc(c1)SCCF 62a_100011217306_100000219648 [0,2,0,0,0,0|1,1,0]=4 7086 B12R1.382 CNc1cccc(c1)SCCO 62a_100000211926_100000219648 [0,2,0,0,0,0|1,1,0]=4 7087 B12R1.382 CNc1cccc(c1)SCCO 62a_100000219648_100000211926 [0,2,0,0,0,0|1,1,0]=4 7088 B12R1.382 CNc1cccc(c1)SCOC 62a_100000219648_100000766300 [0,2,0,0,0,0|1,0,0]=3 7089 B12R1.382 CNc1cccc(c1)SCOC 62a_100000766300_100000219648 [0,2,0,0,0,0|1,0,0]=3 7090 B12R1.382 CNc1cccc(c1)SCSC 62a_100000219648_100011218213 [0,2,0,0,0,0|1,1,0]=4 7091 B12R1.382 CNc1cccc(c1)SCSC 62a_100011218213_100000219648 [0,2,0,0,0,0|1,1,0]=4 7092 B12R1.382 CNc1cccc(n1)SCOC 62a_100000703281_100000766300 [0,2,0,0,0,0|2,0,0]=4 7093 B12R1.382 CNc1cccc(n1)SCOC 62a_100000766300_100000703281 [0,2,0,0,0,0|2,0,0]=4 7094 B12R1.382 CNc1ccnc(c1)SCOC 62a_100000766300_100009869472 [0,2,0,0,0,0|2,0,0]=4 7095 B12R1.382 CNc1ccnc(c1)SCOC 62a_100009869472_100000766300 [0,2,0,0,0,0|2,0,0]=4 7096 B12R1.382 CNc1cncc(c1)SCOC 62a_100000766300_100012184536 [0,2,0,0,0,0|2,0,0]=4 7097 B12R1.382 CNc1cncc(c1)SCOC 62a_100012184536_100000766300 [0,2,0,0,0,0|2,0,0]=4 7098 B12R1.382 COCCc1cccc(c1)C#N 34a_100012001419_200000210301 [0,2,0,0,0,0|2,0,0]=4 7099 B12R1.382 COCCc1cccc(c1)C#N 7a_100012001419_200000210301 [0,2,0,0,0,0|2,0,0]=4 7100 B12R1.382 COCCc1cccc(c1)OC 34a_100011215300_200000210301 [0,2,0,0,0,0|0,0,0]=2 7101 B12R1.382 COCCc1cccc(c1)OC 34a_100138415774_100011713679 [0,2,0,0,0,0|0,0,0]=2 7102 B12R1.382 COCCc1cccc(c1)OC 7a_100011215300_200000210301 [0,2,0,0,0,0|0,0,0]=2 7103 B12R1.382 COCNc1cccc(c1)CF 2230a_100000126320_100000766300 [0,2,0,0,0,0|2,0,0]=4 7104 B12R1.382 COCNc1cccc(c1)CO 2230a_100000211919_100000766300 [0,2,0,0,0,0|2,0,0]=4 7105 B12R1.382 COCNc1cccc(c1)SC 2230a_100000210049_100000766300 [0,2,0,0,0,0|0,1,0]=3 7106 B12R1.382 COCOc1cccc(c1)N[13CH3] 34a_100012265470_200025704644 [0,2,0,0,0,0|1,0,0]=3 7107 B12R1.382 COCOc1cccc(c1)SC 62a_100012265688_200000210301 [0,2,0,0,0,0|0,1,0]=3 7108 B12R1.382 COCOc1cccc(c1)SC 62a_200000210301_100012265688 [0,2,0,0,0,0|0,1,0]=3 7109 B12R1.382 COCOc1cccc(c1)S[13CH3] 62a_100012265688_200025704644 [0,2,0,0,0,0|0,1,0]=3 7110 B12R1.382 COCOc1cccc(c1)S[13CH3] 62a_200025704644_100012265688 [0,2,0,0,0,0|0,1,0]=3 7111 B12R1.382 COCSc1cc(ccn1)OC 62a_100000766300_100011216251 [0,2,0,0,0,0|1,0,0]=3 7112 B12R1.382 COCSc1cc(ccn1)OC 62a_100009817693_100000766300 [0,2,0,0,0,0|1,0,0]=3 7113 B12R1.382 COCSc1cc(ccn1)SC 62a_100000766300_100010883326 [0,2,0,0,0,0|1,1,0]=4 7114 B12R1.382 COCSc1cc(ccn1)SC 62a_100010883326_100000766300 [0,2,0,0,0,0|1,1,0]=4 7115 B12R1.382 COCSc1cc(cnn1)OC 62a_100000766300_100000087634 [0,2,0,0,0,0|2,0,0]=4 7116 B12R1.382 COCSc1cc(ncn1)OC 62a_100000049997_100000766300 [0,2,0,0,0,0|2,0,0]=4 7117 B12R1.382 COCSc1cc(ncn1)OC 62a_100000766300_100000049997 [0,2,0,0,0,0|2,0,0]=4 7118 B12R1.382 COCSc1cccc(c1)C#N 62a_100000766300_100000189340 [0,2,0,0,0,0|2,0,0]=4 7119 B12R1.382 COCSc1cccc(c1)C=O 62a_100000014684_100000766300 [0,2,0,0,0,0|2,0,0]=4 7120 B12R1.382 COCSc1cccc(c1)C=O 62a_100000766300_100000014684 [0,2,0,0,0,0|2,0,0]=4 7121 B12R1.382 COCSc1cccc(c1)CF 62a_100000766300_100010878472 [0,2,0,0,0,0|2,0,0]=4 7122 B12R1.382 COCSc1cccc(c1)CF 62a_100010878472_100000766300 [0,2,0,0,0,0|2,0,0]=4 7123 B12R1.382 COCSc1cccc(c1)CN 62a_100000106179_100000766300 [0,2,0,0,0,0|2,0,0]=4 7124 B12R1.382 COCSc1cccc(c1)CN 62a_100000766300_100000106179 [0,2,0,0,0,0|2,0,0]=4 7125 B12R1.382 COCSc1cccc(c1)CO 62a_100000687537_100000766300 [0,2,0,0,0,0|2,0,0]=4 7126 B12R1.382 COCSc1cccc(c1)CO 62a_100000766300_100000687537 [0,2,0,0,0,0|2,0,0]=4 7127 B12R1.382 COCSc1cccc(c1)NN 62a_100000217339_100000766300 [0,2,0,0,0,0|2,0,0]=4 7128 B12R1.382 COCSc1cccc(c1)NN 62a_100000766300_100000217339 [0,2,0,0,0,0|2,0,0]=4 7129 B12R1.382 COCSc1cccc(c1)OC 62a_100000766300_100000170001 [0,2,0,0,0,0|0,0,0]=2 7130 B12R1.382 COCSc1cccc(c1)SC 62a_100000766300_100011215954 [0,2,0,0,0,0|0,1,0]=3 7131 B12R1.382 COCSc1cccc(c1)SC 62a_100011215954_100000766300 [0,2,0,0,0,0|0,1,0]=3 7132 B12R1.382 COCSc1cccc(n1)OC 62a_100000760917_100000766300 [0,2,0,0,0,0|1,0,0]=3 7133 B12R1.382 COCSc1cccc(n1)OC 62a_100000766300_100000760917 [0,2,0,0,0,0|1,0,0]=3 7134 B12R1.382 COCSc1cccc(n1)SC 62a_100000766300_100011960944 [0,2,0,0,0,0|1,1,0]=4 7135 B12R1.382 COCSc1cccc(n1)SC 62a_100011960944_100000766300 [0,2,0,0,0,0|1,1,0]=4 7136 B12R1.382 COCSc1ccnc(c1)OC 62a_100000117307_100000766300 [0,2,0,0,0,0|1,0,0]=3 7137 B12R1.382 COCSc1ccnc(c1)OC 62a_100000766300_100000117307 [0,2,0,0,0,0|1,0,0]=3 7138 B12R1.382 COCSc1ccnc(n1)OC 62a_100000069072_100000766300 [0,2,0,0,0,0|2,0,0]=4 7139 B12R1.382 COCSc1ccnc(n1)OC 62a_100000766300_100000069072 [0,2,0,0,0,0|2,0,0]=4 7140 B12R1.382 COCSc1cncc(c1)OC 62a_100000050176_100000766300 [0,2,0,0,0,0|1,0,0]=3 7141 B12R1.382 COCSc1cncc(c1)OC 62a_100000766300_100000050176 [0,2,0,0,0,0|1,0,0]=3 7142 B12R1.382 COCSc1cncc(c1)SC 62a_100000766300_100009816972 [0,2,0,0,0,0|1,1,0]=4 7143 B12R1.382 COCSc1cncc(c1)SC 62a_100009816972_100000766300 [0,2,0,0,0,0|1,1,0]=4 7144 B12R1.382 COCSc1cncc(n1)OC 62a_100000756030_100000766300 [0,2,0,0,0,0|2,0,0]=4 7145 B12R1.382 COCSc1cncc(n1)OC 62a_100000766300_100000756030 [0,2,0,0,0,0|2,0,0]=4 7146 B12R1.382 COCSc1nccc(n1)OC 62a_100000182009_100000766300 [0,2,0,0,0,0|2,0,0]=4 7147 B12R1.382 COCSc1nccc(n1)OC 62a_100000766300_100000182009 [0,2,0,0,0,0|2,0,0]=4 7148 B12R1.382 COc1cc(ccn1)CSCF 62a_100015361967_100103152439 [0,2,0,0,0,0|1,1,0]=4 7149 B12R1.382 COc1cc(ccn1)CSCF 62a_100103152439_100015361967 [0,2,0,0,0,0|1,1,0]=4 7150 B12R1.382 COc1cc(ccn1)OCC=O 34a_100012181050_200009817547 [0,2,0,0,0,0|1,0,0]=3 7151 B12R1.382 COc1cc(ccn1)OCCF 34a_100012181050_100011217306 [0,2,0,0,0,0|1,0,0]=3 7152 B12R1.382 COc1cc(ccn1)OCCO 34a_100012181050_100000211926 [0,2,0,0,0,0|1,0,0]=3 7153 B12R1.382 COc1cc(ccn1)OCSC 34a_100012181050_100011218213 [0,2,0,0,0,0|1,0,0]=3 7154 B12R1.382 COc1cc(ccn1)SCC#N 62a_100000117307_100011215382 [0,2,0,0,0,0|1,1,0]=4 7155 B12R1.382 COc1cc(ccn1)SCC#N 62a_100011215382_100000117307 [0,2,0,0,0,0|1,1,0]=4 7156 B12R1.382 COc1cc(ccn1)SCC=O 62a_100000117307_200015260668 [0,2,0,0,0,0|1,1,0]=4 7157 B12R1.382 COc1cc(ccn1)SCC=O 62a_200015260668_100000117307 [0,2,0,0,0,0|1,1,0]=4 7158 B12R1.382 COc1cc(ccn1)SCCF 62a_100000117307_100011217306 [0,2,0,0,0,0|1,1,0]=4 7159 B12R1.382 COc1cc(ccn1)SCCF 62a_100011217306_100000117307 [0,2,0,0,0,0|1,1,0]=4 7160 B12R1.382 COc1cc(ccn1)SCCO 62a_100000117307_100000211926 [0,2,0,0,0,0|1,1,0]=4 7161 B12R1.382 COc1cc(ccn1)SCCO 62a_100000211926_100000117307 [0,2,0,0,0,0|1,1,0]=4 7162 B12R1.382 COc1cc(ccn1)SCSC 62a_100000117307_100011218213 [0,2,0,0,0,0|1,1,0]=4 7163 B12R1.382 COc1cc(ccn1)SCSC 62a_100011218213_100000117307 [0,2,0,0,0,0|1,1,0]=4 7164 B12R1.382 COc1cccc(c1)CCCO 34a_200011999501_200000210301 [0,2,0,0,0,0|1,0,0]=3 7165 B12R1.382 COc1cccc(c1)CCCO 7a_200011999501_200000210301 [0,2,0,0,0,0|1,0,0]=3 7166 B12R1.382 COc1cccc(c1)CCN[13CH3] 2230a_100000740386_200025704644 [0,2,0,0,0,0|1,0,0]=3 7167 B12R1.382 COc1cccc(c1)CCN[13CH3] 34a_100000740386_200025704644 [0,2,0,0,0,0|1,0,0]=3 7168 B12R1.382 COc1cccc(c1)CCO[13CH3] 34a_100011215300_200025704644 [0,2,0,0,0,0|0,0,0]=2 7169 B12R1.382 COc1cccc(c1)CCO[13CH3] 7a_100011215300_200025704644 [0,2,0,0,0,0|0,0,0]=2 7170 B12R1.382 COc1cccc(c1)CCSC 62a_100011713679_200000210301 [0,2,0,0,0,0|0,1,0]=3 7171 B12R1.382 COc1cccc(c1)CCSC 62a_200000210301_100011713679 [0,2,0,0,0,0|0,1,0]=3 7172 B12R1.382 COc1cccc(c1)CCS[13CH3] 62a_100011713679_200025704644 [0,2,0,0,0,0|0,1,0]=3 7173 B12R1.382 COc1cccc(c1)CCS[13CH3] 62a_200025704644_100011713679 [0,2,0,0,0,0|0,1,0]=3 7174 B12R1.382 COc1cccc(c1)CNCF 34a_100000174954_100015361967 [0,2,0,0,0,0|1,0,0]=3 7175 B12R1.382 COc1cccc(c1)COCF 34a_100000198976_100015361967 [0,2,0,0,0,0|0,0,0]=2 7176 B12R1.382 COc1cccc(c1)CSCF 62a_100000688526_100015361967 [0,2,0,0,0,0|0,1,0]=3 7177 B12R1.382 COc1cccc(c1)CSCF 62a_100015361967_100000211672 [0,2,0,0,0,0|0,1,0]=3 7178 B12R1.382 COc1cccc(c1)NCC=O 34a_100000210024_200009817547 [0,2,0,0,0,0|1,0,0]=3 7179 B12R1.382 COc1cccc(c1)NCCF 34a_100000210024_100011217306 [0,2,0,0,0,0|1,0,0]=3 7180 B12R1.382 COc1cccc(c1)NCCO 34a_100000210024_100000211926 [0,2,0,0,0,0|1,0,0]=3 7181 B12R1.382 COc1cccc(c1)NCSC 34a_100000210024_100011218213 [0,2,0,0,0,0|0,1,0]=3 7182 B12R1.382 COc1cccc(c1)OCC#N 7a_100000211255_100011215382 [0,2,0,0,0,0|0,0,0]=2 7183 B12R1.382 COc1cccc(c1)OCC=O 34a_100000211255_200009817547 [0,2,0,0,0,0|0,0,0]=2 7184 B12R1.382 COc1cccc(c1)OCC=O 7a_100000211255_200015260668 [0,2,0,0,0,0|0,0,0]=2 7185 B12R1.382 COc1cccc(c1)OCCF 34a_100000211255_100011217306 [0,2,0,0,0,0|0,0,0]=2 7186 B12R1.382 COc1cccc(c1)OCCF 7a_100000211255_100011217306 [0,2,0,0,0,0|0,0,0]=2 7187 B12R1.382 COc1cccc(c1)OCCO 34a_100000211255_100000211926 [0,2,0,0,0,0|0,0,0]=2 7188 B12R1.382 COc1cccc(c1)OCCO 7a_100000211255_100000211926 [0,2,0,0,0,0|0,0,0]=2 7189 B12R1.382 COc1cccc(c1)OCSC 34a_100000211255_100011218213 [0,2,0,0,0,0|0,0,0]=2 7190 B12R1.382 COc1cccc(c1)SCC#N 62a_100011215382_100000170001 [0,2,0,0,0,0|0,1,0]=3 7191 B12R1.382 COc1cccc(c1)SCC=O 62a_200015260668_100000170001 [0,2,0,0,0,0|0,1,0]=3 7192 B12R1.382 COc1cccc(c1)SCCF 62a_100011217306_100000170001 [0,2,0,0,0,0|0,1,0]=3 7193 B12R1.382 COc1cccc(c1)SCCO 62a_100000211926_100000170001 [0,2,0,0,0,0|0,1,0]=3 7194 B12R1.382 COc1cccc(c1)SCSC 62a_100011218213_100000170001 [0,2,0,0,0,0|0,1,0]=3 7195 B12R1.382 COc1cccc(n1)CSCF 62a_100000755263_100015361967 [0,2,0,0,0,0|1,1,0]=4 7196 B12R1.382 COc1cccc(n1)CSCF 62a_100015361967_100000755263 [0,2,0,0,0,0|1,1,0]=4 7197 B12R1.382 COc1cccc(n1)SCC#N 62a_100000760917_100011215382 [0,2,0,0,0,0|1,1,0]=4 7198 B12R1.382 COc1cccc(n1)SCC#N 62a_100011215382_100000760917 [0,2,0,0,0,0|1,1,0]=4 7199 B12R1.382 COc1cccc(n1)SCC=O 62a_100000760917_200015260668 [0,2,0,0,0,0|1,1,0]=4 7200 B12R1.382 COc1cccc(n1)SCC=O 62a_200015260668_100000760917 [0,2,0,0,0,0|1,1,0]=4 7201 B12R1.382 COc1cccc(n1)SCCF 62a_100000760917_100011217306 [0,2,0,0,0,0|1,1,0]=4 7202 B12R1.382 COc1cccc(n1)SCCF 62a_100011217306_100000760917 [0,2,0,0,0,0|1,1,0]=4 7203 B12R1.382 COc1cccc(n1)SCCO 62a_100000211926_100000760917 [0,2,0,0,0,0|1,1,0]=4 7204 B12R1.382 COc1cccc(n1)SCCO 62a_100000760917_100000211926 [0,2,0,0,0,0|1,1,0]=4 7205 B12R1.382 COc1cccc(n1)SCSC 62a_100000760917_100011218213 [0,2,0,0,0,0|1,1,0]=4 7206 B12R1.382 COc1cccc(n1)SCSC 62a_100011218213_100000760917 [0,2,0,0,0,0|1,1,0]=4 7207 B12R1.382 COc1ccnc(c1)COCF 34a_100000749536_100015361967 [0,2,0,0,0,0|1,0,0]=3 7208 B12R1.382 COc1ccnc(c1)CSCF 62a_100000752681_100015361967 [0,2,0,0,0,0|1,1,0]=4 7209 B12R1.382 COc1ccnc(c1)CSCF 62a_100015361967_100000752681 [0,2,0,0,0,0|1,1,0]=4 7210 B12R1.382 COc1ccnc(c1)SCC#N 62a_100009817693_100011215382 [0,2,0,0,0,0|1,1,0]=4 7211 B12R1.382 COc1ccnc(c1)SCC#N 62a_100011215382_100011216251 [0,2,0,0,0,0|1,1,0]=4 7212 B12R1.382 COc1ccnc(c1)SCC=O 62a_100009817693_200015260668 [0,2,0,0,0,0|1,1,0]=4 7213 B12R1.382 COc1ccnc(c1)SCC=O 62a_200015260668_100011216251 [0,2,0,0,0,0|1,1,0]=4 7214 B12R1.382 COc1ccnc(c1)SCCF 62a_100009817693_100011217306 [0,2,0,0,0,0|1,1,0]=4 7215 B12R1.382 COc1ccnc(c1)SCCF 62a_100011217306_100011216251 [0,2,0,0,0,0|1,1,0]=4 7216 B12R1.382 COc1ccnc(c1)SCCO 62a_100000211926_100011216251 [0,2,0,0,0,0|1,1,0]=4 7217 B12R1.382 COc1ccnc(c1)SCCO 62a_100009817693_100000211926 [0,2,0,0,0,0|1,1,0]=4 7218 B12R1.382 COc1ccnc(c1)SCSC 62a_100009817693_100011218213 [0,2,0,0,0,0|1,1,0]=4 7219 B12R1.382 COc1ccnc(c1)SCSC 62a_100011218213_100011216251 [0,2,0,0,0,0|1,1,0]=4 7220 B12R1.382 COc1cncc(c1)CNCF 34a_100020589029_100015361967 [0,2,0,0,0,0|2,0,0]=4 7221 B12R1.382 COc1cncc(c1)COCF 34a_100000732071_100015361967 [0,2,0,0,0,0|1,0,0]=3 7222 B12R1.382 COc1cncc(c1)OCC#N 7a_100000084572_100011215382 [0,2,0,0,0,0|1,0,0]=3 7223 B12R1.382 COc1cncc(c1)OCC=O 34a_100000084572_200009817547 [0,2,0,0,0,0|1,0,0]=3 7224 B12R1.382 COc1cncc(c1)OCC=O 7a_100000084572_200015260668 [0,2,0,0,0,0|1,0,0]=3 7225 B12R1.382 COc1cncc(c1)OCCF 34a_100000084572_100011217306 [0,2,0,0,0,0|1,0,0]=3 7226 B12R1.382 COc1cncc(c1)OCCF 7a_100000084572_100011217306 [0,2,0,0,0,0|1,0,0]=3 7227 B12R1.382 COc1cncc(c1)OCCO 34a_100000084572_100000211926 [0,2,0,0,0,0|1,0,0]=3 7228 B12R1.382 COc1cncc(c1)OCCO 7a_100000084572_100000211926 [0,2,0,0,0,0|1,0,0]=3 7229 B12R1.382 COc1cncc(c1)OCSC 34a_100000084572_100011218213 [0,2,0,0,0,0|1,0,0]=3 7230 B12R1.382 COc1cncc(c1)SCC#N 62a_100000050176_100011215382 [0,2,0,0,0,0|1,1,0]=4 7231 B12R1.382 COc1cncc(c1)SCC#N 62a_100011215382_100000050176 [0,2,0,0,0,0|1,1,0]=4 7232 B12R1.382 COc1cncc(c1)SCC=O 62a_100000050176_200015260668 [0,2,0,0,0,0|1,1,0]=4 7233 B12R1.382 COc1cncc(c1)SCC=O 62a_200015260668_100000050176 [0,2,0,0,0,0|1,1,0]=4 7234 B12R1.382 COc1cncc(c1)SCCF 62a_100000050176_100011217306 [0,2,0,0,0,0|1,1,0]=4 7235 B12R1.382 COc1cncc(c1)SCCF 62a_100011217306_100000050176 [0,2,0,0,0,0|1,1,0]=4 7236 B12R1.382 COc1cncc(c1)SCCO 62a_100000050176_100000211926 [0,2,0,0,0,0|1,1,0]=4 7237 B12R1.382 COc1cncc(c1)SCCO 62a_100000211926_100000050176 [0,2,0,0,0,0|1,1,0]=4 7238 B12R1.382 COc1cncc(c1)SCSC 62a_100000050176_100011218213 [0,2,0,0,0,0|1,1,0]=4 7239 B12R1.382 COc1cncc(c1)SCSC 62a_100011218213_100000050176 [0,2,0,0,0,0|1,1,0]=4 7240 B12R1.382 CSCNc1cccc(c1)SC 2230a_100000210049_100011218213 [0,2,0,0,0,0|0,2,0]=4 7241 B12R1.382 CSCNc1cccc(c1)SC 34a_100000210049_100011218213 [0,2,0,0,0,0|0,2,0]=4 7242 B12R1.382 CSCOc1cccc(c1)C#N 34a_100000184713_100011218213 [0,2,0,0,0,0|2,0,0]=4 7243 B12R1.382 CSCOc1cccc(c1)CBr 34a_100011660834_100011218213 [0,2,0,0,0,0|2,0,0]=4 7244 B12R1.382 CSCOc1cccc(c1)CCl 34a_100000084143_100011218213 [0,2,0,0,0,0|2,0,0]=4 7245 B12R1.382 CSCOc1cccc(c1)CN 34a_100000743036_100011218213 [0,2,0,0,0,0|2,0,0]=4 7246 B12R1.382 CSCOc1cccc(c1)CO 34a_100011214949_100011218213 [0,2,0,0,0,0|2,0,0]=4 7247 B12R1.382 CSCOc1cccc(c1)SC 34a_100011265683_100011218213 [0,2,0,0,0,0|0,1,0]=3 7248 B12R1.382 CSCSc1cccc(c1)SC 62a_100011215954_100011218213 [0,2,0,0,0,0|0,2,0]=4 7249 B12R1.382 CSCSc1cccc(c1)SC 62a_100011218213_100011215954 [0,2,0,0,0,0|0,2,0]=4 7250 B12R1.382 CSc1cccc(c1)C#CCO 62a_100009814051_200000210301 [0,2,0,0,0,0|1,1,0]=4 7251 B12R1.382 CSc1cccc(c1)C#CCO 62a_200000210301_100009814051 [0,2,0,0,0,0|1,1,0]=4 7252 B12R1.382 CSc1cccc(c1)CCC#N 62a_100011219771_200000210301 [0,2,0,0,0,0|1,1,0]=4 7253 B12R1.382 CSc1cccc(c1)CCC#N 62a_200000210301_100011219771 [0,2,0,0,0,0|1,1,0]=4 7254 B12R1.382 CSc1cccc(c1)CCCN 62a_100000753791_200000210301 [0,2,0,0,0,0|1,1,0]=4 7255 B12R1.382 CSc1cccc(c1)CCCN 62a_200000210301_100000753791 [0,2,0,0,0,0|1,1,0]=4 7256 B12R1.382 CSc1cccc(c1)CCCO 62a_100011709248_200000210301 [0,2,0,0,0,0|1,1,0]=4 7257 B12R1.382 CSc1cccc(c1)CCCO 62a_200000210301_100011709248 [0,2,0,0,0,0|1,1,0]=4 7258 B12R1.382 CSc1cccc(c1)NCC#N 2230a_100000210049_100011215382 [0,2,0,0,0,0|1,1,0]=4 7259 B12R1.382 CSc1cccc(c1)NCC=O 2230a_100000210049_200015260668 [0,2,0,0,0,0|1,1,0]=4 7260 B12R1.382 CSc1cccc(c1)NCC=O 34a_100000210049_200009817547 [0,2,0,0,0,0|1,1,0]=4 7261 B12R1.382 CSc1cccc(c1)NCCF 2230a_100000210049_100011217306 [0,2,0,0,0,0|1,1,0]=4 7262 B12R1.382 CSc1cccc(c1)NCCF 34a_100000210049_100011217306 [0,2,0,0,0,0|1,1,0]=4 7263 B12R1.382 CSc1cccc(c1)NCCO 2230a_100000210049_100000211926 [0,2,0,0,0,0|1,1,0]=4 7264 B12R1.382 CSc1cccc(c1)NCCO 34a_100000210049_100000211926 [0,2,0,0,0,0|1,1,0]=4 7265 B12R1.382 CSc1cccc(c1)OCC#N 62a_200000169433_200000210301 [0,2,0,0,0,0|0,1,0]=3 7266 B12R1.382 CSc1cccc(c1)OCC#N 62a_200000210301_200000169433 [0,2,0,0,0,0|0,1,0]=3 7267 B12R1.382 CSc1cccc(c1)OCC#N 7a_100011265683_100011215382 [0,2,0,0,0,0|0,1,0]=3 7268 B12R1.382 CSc1cccc(c1)OCC=O 34a_100011265683_200009817547 [0,2,0,0,0,0|0,1,0]=3 7269 B12R1.382 CSc1cccc(c1)OCC=O 7a_100011265683_200015260668 [0,2,0,0,0,0|0,1,0]=3 7270 B12R1.382 CSc1cccc(c1)OCCF 34a_100011265683_100011217306 [0,2,0,0,0,0|0,1,0]=3 7271 B12R1.382 CSc1cccc(c1)OCCF 7a_100011265683_100011217306 [0,2,0,0,0,0|0,1,0]=3 7272 B12R1.382 CSc1cccc(c1)OCCN 62a_100000743521_200000210301 [0,2,0,0,0,0|0,1,0]=3 7273 B12R1.382 CSc1cccc(c1)OCCN 62a_200000210301_100000743521 [0,2,0,0,0,0|0,1,0]=3 7274 B12R1.382 CSc1cccc(c1)OCCO 34a_100011265683_100000211926 [0,2,0,0,0,0|0,1,0]=3 7275 B12R1.382 CSc1cccc(c1)OCCO 62a_100000757546_200000210301 [0,2,0,0,0,0|0,1,0]=3 7276 B12R1.382 CSc1cccc(c1)OCCO 62a_200000210301_100000757546 [0,2,0,0,0,0|0,1,0]=3 7277 B12R1.382 CSc1cccc(c1)OCCO 7a_100011265683_100000211926 [0,2,0,0,0,0|0,1,0]=3 7278 B12R1.382 CSc1cccc(c1)SCC#N 62a_100011215382_100011215954 [0,2,0,0,0,0|0,2,0]=4 7279 B12R1.382 CSc1cccc(c1)SCC#N 62a_100011215954_100011215382 [0,2,0,0,0,0|0,2,0]=4 7280 B12R1.382 CSc1cccc(c1)SCC#N 62a_200000210301_200011756096 [0,2,0,0,0,0|0,2,0]=4 7281 B12R1.382 CSc1cccc(c1)SCC#N 62a_200011756096_200000210301 [0,2,0,0,0,0|0,2,0]=4 7282 B12R1.382 CSc1cccc(c1)SCC=O 62a_100011215954_200015260668 [0,2,0,0,0,0|0,2,0]=4 7283 B12R1.382 CSc1cccc(c1)SCC=O 62a_200015260668_100011215954 [0,2,0,0,0,0|0,2,0]=4 7284 B12R1.382 CSc1cccc(c1)SCCF 62a_100011215954_100011217306 [0,2,0,0,0,0|0,2,0]=4 7285 B12R1.382 CSc1cccc(c1)SCCF 62a_100011217306_100011215954 [0,2,0,0,0,0|0,2,0]=4 7286 B12R1.382 CSc1cccc(c1)SCCO 62a_100000211926_100011215954 [0,2,0,0,0,0|0,2,0]=4 7287 B12R1.382 CSc1cccc(c1)SCCO 62a_100011215954_100000211926 [0,2,0,0,0,0|0,2,0]=4 7288 B12R1.382 CSc1cccc(c1)SCCO 62a_200000210301_200011756134 [0,2,0,0,0,0|0,2,0]=4 7289 B12R1.382 CSc1cccc(c1)SCCO 62a_200011756134_200000210301 [0,2,0,0,0,0|0,2,0]=4 7290 B12R1.382 FCCOc1cccc(c1)CBr 34a_100011660834_100011217306 [0,2,0,0,0,0|2,0,0]=4 7291 B12R1.382 FCCOc1cccc(c1)CBr 7a_100011660834_100011217306 [0,2,0,0,0,0|2,0,0]=4 7292 B12R1.382 FCCOc1cccc(c1)CCl 34a_100000084143_100011217306 [0,2,0,0,0,0|2,0,0]=4 7293 B12R1.382 FCCOc1cccc(c1)CCl 7a_100000084143_100011217306 [0,2,0,0,0,0|2,0,0]=4 7294 B12R1.382 FCOCc1cccc(c1)CBr 34a_100010188025_100015361967 [0,2,0,0,0,0|2,0,0]=4 7295 B12R1.382 FCOCc1cccc(c1)CBr 7a_100010188025_100015361967 [0,2,0,0,0,0|2,0,0]=4 7296 B12R1.382 FCOCc1cccc(c1)CCl 34a_200000090956_100015361967 [0,2,0,0,0,0|2,0,0]=4 7297 B12R1.382 FCOCc1cccc(c1)CCl 7a_200000090956_100015361967 [0,2,0,0,0,0|2,0,0]=4 7298 B12R1.382 N#CCOc1cccc(c1)C#N 7a_100000184713_100011215382 [0,2,0,0,0,0|2,0,0]=4 7299 B12R1.382 N#CCOc1cccc(c1)CBr 7a_100011660834_100011215382 [0,2,0,0,0,0|2,0,0]=4 7300 B12R1.382 N#CCOc1cccc(c1)CCl 7a_100000084143_100011215382 [0,2,0,0,0,0|2,0,0]=4 7301 B12R1.382 N#CCOc1cccc(c1)CO 7a_100011214949_100011215382 [0,2,0,0,0,0|2,0,0]=4 7302 B12R1.382 N#Cc1cccc(c1)COCF 34a_100000753308_100015361967 [0,2,0,0,0,0|2,0,0]=4 7303 B12R1.382 N#Cc1cccc(c1)COCF 7a_100000753308_100015361967 [0,2,0,0,0,0|2,0,0]=4 7304 B12R1.382 N#Cc1cccc(c1)OCC=O 34a_100000184713_200009817547 [0,2,0,0,0,0|2,0,0]=4 7305 B12R1.382 N#Cc1cccc(c1)OCC=O 7a_100000184713_200015260668 [0,2,0,0,0,0|2,0,0]=4 7306 B12R1.382 N#Cc1cccc(c1)OCCF 34a_100000184713_100011217306 [0,2,0,0,0,0|2,0,0]=4 7307 B12R1.382 N#Cc1cccc(c1)OCCF 7a_100000184713_100011217306 [0,2,0,0,0,0|2,0,0]=4 7308 B12R1.382 N#Cc1cccc(c1)OCCO 34a_100000184713_100000211926 [0,2,0,0,0,0|2,0,0]=4 7309 B12R1.382 N#Cc1cccc(c1)OCCO 7a_100000184713_100000211926 [0,2,0,0,0,0|2,0,0]=4 7310 B12R1.382 NCc1cccc(c1)COCF 34a_100011269909_100015361967 [0,2,0,0,0,0|2,0,0]=4 7311 B12R1.382 NCc1cccc(c1)OCC=O 34a_100000743036_200009817547 [0,2,0,0,0,0|2,0,0]=4 7312 B12R1.382 NCc1cccc(c1)OCCF 34a_100000743036_100011217306 [0,2,0,0,0,0|2,0,0]=4 7313 B12R1.382 NCc1cccc(c1)OCCO 34a_100000743036_100000211926 [0,2,0,0,0,0|2,0,0]=4 7314 B12R1.382 O=CCOc1cccc(c1)CBr 34a_100011660834_200009817547 [0,2,0,0,0,0|2,0,0]=4 7315 B12R1.382 O=CCOc1cccc(c1)CBr 7a_100011660834_200015260668 [0,2,0,0,0,0|2,0,0]=4 7316 B12R1.382 O=CCOc1cccc(c1)CCl 34a_100000084143_200009817547 [0,2,0,0,0,0|2,0,0]=4 7317 B12R1.382 O=CCOc1cccc(c1)CCl 7a_100000084143_200015260668 [0,2,0,0,0,0|2,0,0]=4 7318 B12R1.382 O=CCOc1cccc(c1)CO 34a_100011214949_200009817547 [0,2,0,0,0,0|2,0,0]=4 7319 B12R1.382 O=CCOc1cccc(c1)CO 7a_100011214949_200015260668 [0,2,0,0,0,0|2,0,0]=4 7320 B12R1.382 OCCOc1cccc(c1)CBr 34a_100011660834_100000211926 [0,2,0,0,0,0|2,0,0]=4 7321 B12R1.382 OCCOc1cccc(c1)CBr 7a_100011660834_100000211926 [0,2,0,0,0,0|2,0,0]=4 7322 B12R1.382 OCCOc1cccc(c1)CCl 34a_100000084143_100000211926 [0,2,0,0,0,0|2,0,0]=4 7323 B12R1.382 OCCOc1cccc(c1)CCl 7a_100000084143_100000211926 [0,2,0,0,0,0|2,0,0]=4 7324 B12R1.382 OCCOc1cccc(c1)CO 34a_100011214949_100000211926 [0,2,0,0,0,0|2,0,0]=4 7325 B12R1.382 OCCOc1cccc(c1)CO 7a_100011214949_100000211926 [0,2,0,0,0,0|2,0,0]=4 7326 B12R1.382 OCc1cccc(c1)OCCF 34a_100011214949_100011217306 [0,2,0,0,0,0|2,0,0]=4 7327 B12R1.382 OCc1cccc(c1)OCCF 7a_100011214949_100011217306 [0,2,0,0,0,0|2,0,0]=4 7328 B12R1.382 [13CH3]Nc1cccc(c1)CCCO 2230a_200000698965_200025704644 [0,2,0,0,0,0|2,0,0]=4 7329 B12R1.382 [13CH3]Nc1cccc(c1)CCCO 34a_200000698965_200025704644 [0,2,0,0,0,0|2,0,0]=4 7330 B12R1.382 [13CH3]Nc1cccc(c1)CCCO 7a_200000698965_200025704644 [0,2,0,0,0,0|2,0,0]=4 7331 B12R1.382 [13CH3]Nc1cccc(c1)OCC#N 34a_100000739570_200025704644 [0,2,0,0,0,0|1,0,0]=3 7332 B12R1.382 [13CH3]Nc1cccc(c1)OCCO 2230a_100011232151_200025704644 [0,2,0,0,0,0|1,0,0]=3 7333 B12R1.382 [13CH3]Nc1cccc(c1)OCCO 34a_100011232151_200025704644 [0,2,0,0,0,0|1,0,0]=3 7334 B12R1.382 [13CH3]OCCc1cccc(c1)C#N 34a_100012001419_200025704644 [0,2,0,0,0,0|2,0,0]=4 7335 B12R1.382 [13CH3]OCCc1cccc(c1)C#N 7a_100012001419_200025704644 [0,2,0,0,0,0|2,0,0]=4 7336 B12R1.382 [13CH3]Oc1cccc(c1)CCCO 34a_200011999501_200025704644 [0,2,0,0,0,0|1,0,0]=3 7337 B12R1.382 [13CH3]Oc1cccc(c1)CCCO 7a_200011999501_200025704644 [0,2,0,0,0,0|1,0,0]=3 7338 B12R1.382 [13CH3]Sc1cccc(c1)C#CCO 62a_100009814051_200025704644 [0,2,0,0,0,0|1,1,0]=4 7339 B12R1.382 [13CH3]Sc1cccc(c1)C#CCO 62a_200025704644_100009814051 [0,2,0,0,0,0|1,1,0]=4 7340 B12R1.382 [13CH3]Sc1cccc(c1)CCC#N 62a_100011219771_200025704644 [0,2,0,0,0,0|1,1,0]=4 7341 B12R1.382 [13CH3]Sc1cccc(c1)CCC#N 62a_200025704644_100011219771 [0,2,0,0,0,0|1,1,0]=4 7342 B12R1.382 [13CH3]Sc1cccc(c1)CCCN 62a_100000753791_200025704644 [0,2,0,0,0,0|1,1,0]=4 7343 B12R1.382 [13CH3]Sc1cccc(c1)CCCN 62a_200025704644_100000753791 [0,2,0,0,0,0|1,1,0]=4 7344 B12R1.382 [13CH3]Sc1cccc(c1)CCCO 62a_100011709248_200025704644 [0,2,0,0,0,0|1,1,0]=4 7345 B12R1.382 [13CH3]Sc1cccc(c1)CCCO 62a_200025704644_100011709248 [0,2,0,0,0,0|1,1,0]=4 7346 B12R1.382 [13CH3]Sc1cccc(c1)OCC#N 62a_200000169433_200025704644 [0,2,0,0,0,0|0,1,0]=3 7347 B12R1.382 [13CH3]Sc1cccc(c1)OCC#N 62a_200025704644_200000169433 [0,2,0,0,0,0|0,1,0]=3 7348 B12R1.382 [13CH3]Sc1cccc(c1)OCCN 62a_100000743521_200025704644 [0,2,0,0,0,0|0,1,0]=3 7349 B12R1.382 [13CH3]Sc1cccc(c1)OCCN 62a_200025704644_100000743521 [0,2,0,0,0,0|0,1,0]=3 7350 B12R1.382 [13CH3]Sc1cccc(c1)OCCO 62a_100000757546_200025704644 [0,2,0,0,0,0|0,1,0]=3 7351 B12R1.382 [13CH3]Sc1cccc(c1)OCCO 62a_200025704644_100000757546 [0,2,0,0,0,0|0,1,0]=3 7352 B12R1.382 [13CH3]Sc1cccc(c1)SCC#N 62a_200011756096_200025704644 [0,2,0,0,0,0|0,2,0]=4 7353 B12R1.382 [13CH3]Sc1cccc(c1)SCC#N 62a_200025704644_200011756096 [0,2,0,0,0,0|0,2,0]=4 7354 B12R1.382 [13CH3]Sc1cccc(c1)SCCO 62a_200011756134_200025704644 [0,2,0,0,0,0|0,2,0]=4 7355 B12R1.382 [13CH3]Sc1cccc(c1)SCCO 62a_200025704644_200011756134 [0,2,0,0,0,0|0,2,0]=4 7356 B12R1.435 C=Cc1cccc(c1)C(=O)OC 271570a_100011290941_100000148679 [0,2,0,0,0,0|1,0,1]=4 7357 B12R1.435 CC(=NN)c1cccc(c1)O[13CH3] 34a_100000689795_200025704644 [0,2,0,0,0,0|1,0,0]=3 7358 B12R1.435 CCC(=O)c1cccc(c1)CC 1458a_100011933908_100000210202 [0,2,0,0,0,0|2,0,0]=4 7359 B12R1.435 CCC(=O)c1cccc(c1)OC 1458a_100000188888_100000210202 [0,2,0,0,0,0|1,0,0]=3 7360 B12R1.435 CCC(=O)c1cccc(c1)OC 34a_100011996911_200000210301 [0,2,0,0,0,0|1,0,0]=3 7361 B12R1.435 CCC(=O)c1cccc(c1)OC 7a_100011996911_200000210301 [0,2,0,0,0,0|1,0,0]=3 7362 B12R1.435 CCC(=O)c1cccc(c1)O[13CH3] 34a_100011996911_200025704644 [0,2,0,0,0,0|1,0,0]=3 7363 B12R1.435 CCC(=O)c1cccc(c1)O[13CH3] 7a_100011996911_200025704644 [0,2,0,0,0,0|1,0,0]=3 7364 B12R1.435 CCC(=O)c1cccc(c1)SC 1458a_100011217804_100000210202 [0,2,0,0,0,0|1,1,0]=4 7365 B12R1.435 CCC(=O)c1cccc(c1)SC 62a_100000211677_200000210301 [0,2,0,0,0,0|1,1,0]=4 7366 B12R1.435 CCC(=O)c1cccc(c1)SC 62a_200000210301_100000211677 [0,2,0,0,0,0|1,1,0]=4 7367 B12R1.435 CCC(=O)c1cccc(c1)S[13CH3] 62a_100000211677_200025704644 [0,2,0,0,0,0|1,1,0]=4 7368 B12R1.435 CCC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000211677 [0,2,0,0,0,0|1,1,0]=4 7369 B12R1.435 CCC(N)c1cccc(c1)OC 34a_100159312145_200000210301 [0,2,0,0,0,0|1,0,0]=3 7370 B12R1.435 CCC(N)c1cccc(c1)O[13CH3] 34a_100159312145_200025704644 [0,2,0,0,0,0|1,0,0]=3 7371 B12R1.435 CCC(O)c1cccc(c1)SC 62a_200000210301_200013212081 [0,2,0,0,0,0|1,1,0]=4 7372 B12R1.435 CCC(O)c1cccc(c1)SC 62a_200013212081_200000210301 [0,2,0,0,0,0|1,1,0]=4 7373 B12R1.435 CCC(O)c1cccc(c1)S[13CH3] 62a_200013212081_200025704644 [0,2,0,0,0,0|1,1,0]=4 7374 B12R1.435 CCC(O)c1cccc(c1)S[13CH3] 62a_200025704644_200013212081 [0,2,0,0,0,0|1,1,0]=4 7375 B12R1.435 CCN(C)c1cccc(c1)OC 2230a_100000219725_100000210202 [0,2,0,0,0,0|1,0,0]=3 7376 B12R1.435 CCN(C)c1cccc(c1)OC 2230a_100000219733_200000210301 [0,2,0,0,0,0|1,0,0]=3 7377 B12R1.435 CCN(C)c1cccc(c1)OC 269982a_100000219725_100000204670 [0,2,0,0,0,0|1,0,0]=3 7378 B12R1.435 CCN(C)c1cccc(c1)OC 269982a_100000219733_200000210301 [0,2,0,0,0,0|1,0,0]=3 7379 B12R1.435 CCN(C)c1cccc(c1)OC 34a_100000219725_100000210202 [0,2,0,0,0,0|1,0,0]=3 7380 B12R1.435 CCN(C)c1cccc(c1)OC 34a_100000219733_200000210301 [0,2,0,0,0,0|1,0,0]=3 7381 B12R1.435 CCN(C)c1cccc(c1)SC 2230a_100020672454_100000210202 [0,2,0,0,0,0|1,1,0]=4 7382 B12R1.435 CCN(C)c1cccc(c1)SC 269982a_100020672454_100000204670 [0,2,0,0,0,0|1,1,0]=4 7383 B12R1.435 CCN(C)c1cccc(c1)SC 34a_100020672454_100000210202 [0,2,0,0,0,0|1,1,0]=4 7384 B12R1.435 CCN([13CH3])c1cccc(c1)OC 2230a_100000219733_200025704644 [0,2,0,0,0,0|1,0,0]=3 7385 B12R1.435 CCN([13CH3])c1cccc(c1)OC 269982a_100000219733_200025704644 [0,2,0,0,0,0|1,0,0]=3 7386 B12R1.435 CCN([13CH3])c1cccc(c1)OC 34a_100000219733_200025704644 [0,2,0,0,0,0|1,0,0]=3 7387 B12R1.435 CC[C@H](N)c1cccc(c1)SC 62a_100102422761_200000210301 [0,2,0,0,0,0|1,1,0]=4 7388 B12R1.435 CC[C@H](N)c1cccc(c1)SC 62a_200000210301_100102422761 [0,2,0,0,0,0|1,1,0]=4 7389 B12R1.435 CC[C@H](N)c1cccc(c1)S[13CH3] 62a_100102422761_200025704644 [0,2,0,0,0,0|1,1,0]=4 7390 B12R1.435 CC[C@H](N)c1cccc(c1)S[13CH3] 62a_200025704644_100102422761 [0,2,0,0,0,0|1,1,0]=4 7391 B12R1.435 CCc1cccc(c1)C(=O)CF 1458a_100011933908_100015361967 [0,2,0,0,0,0|2,0,0]=4 7392 B12R1.435 CCc1cccc(c1)C(=O)NC 11a_106832991635_100011933908 [0,2,0,0,0,0|2,0,0]=4 7393 B12R1.435 CCc1cccc(c1)C(=O)NC 1626a_100102657272_100011933908 [0,2,0,0,0,0|2,0,0]=4 7394 B12R1.435 CCc1cccc(c1)C(=O)NC 240690a_100102657272_100011933908 [0,2,0,0,0,0|2,0,0]=4 7395 B12R1.435 CCc1cccc(c1)C(=O)NC 527a_100102657272_100011933908 [0,2,0,0,0,0|2,0,0]=4 7396 B12R1.435 CCc1cccc(c1)C(C)NC 269862a_106832991636_100011220055 [0,2,0,0,0,0|2,0,0]=4 7397 B12R1.435 CNC(=O)c1cccc(c1)NC 34a_100000185133_200000210301 [0,2,0,0,0,0|2,0,0]=4 7398 B12R1.435 CNC(=O)c1cccc(c1)N[13CH3] 34a_100000185133_200025704644 [0,2,0,0,0,0|2,0,0]=4 7399 B12R1.435 CNC(=O)c1cccc(c1)OC 11a_106832991635_100000188888 [0,2,0,0,0,0|1,0,0]=3 7400 B12R1.435 CNC(=O)c1cccc(c1)OC 1626a_100102657272_100000188888 [0,2,0,0,0,0|1,0,0]=3 7401 B12R1.435 CNC(=O)c1cccc(c1)OC 240690a_100102657272_100000188888 [0,2,0,0,0,0|1,0,0]=3 7402 B12R1.435 CNC(=O)c1cccc(c1)OC 34a_100000159807_200000210301 [0,2,0,0,0,0|1,0,0]=3 7403 B12R1.435 CNC(=O)c1cccc(c1)OC 527a_100102657272_100000188888 [0,2,0,0,0,0|1,0,0]=3 7404 B12R1.435 CNC(=O)c1cccc(c1)OC 7a_100000159807_200000210301 [0,2,0,0,0,0|1,0,0]=3 7405 B12R1.435 CNC(=O)c1cccc(c1)O[13CH3] 34a_100000159807_200025704644 [0,2,0,0,0,0|1,0,0]=3 7406 B12R1.435 CNC(=O)c1cccc(c1)O[13CH3] 7a_100000159807_200025704644 [0,2,0,0,0,0|1,0,0]=3 7407 B12R1.435 CNC(=O)c1cccc(c1)SC 11a_106832991635_100011217804 [0,2,0,0,0,0|1,1,0]=4 7408 B12R1.435 CNC(=O)c1cccc(c1)SC 1626a_100102657272_100011217804 [0,2,0,0,0,0|1,1,0]=4 7409 B12R1.435 CNC(=O)c1cccc(c1)SC 240690a_100102657272_100011217804 [0,2,0,0,0,0|1,1,0]=4 7410 B12R1.435 CNC(=O)c1cccc(c1)SC 527a_100102657272_100011217804 [0,2,0,0,0,0|1,1,0]=4 7411 B12R1.435 CNC(=O)c1cccc(c1)SC 62a_100000155082_200000210301 [0,2,0,0,0,0|1,1,0]=4 7412 B12R1.435 CNC(=O)c1cccc(c1)SC 62a_200000210301_100000155082 [0,2,0,0,0,0|1,1,0]=4 7413 B12R1.435 CNC(=O)c1cccc(c1)S[13CH3] 62a_100000155082_200025704644 [0,2,0,0,0,0|1,1,0]=4 7414 B12R1.435 CNC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000155082 [0,2,0,0,0,0|1,1,0]=4 7415 B12R1.435 CNC(C)c1cc(ccn1)OC 2230a_100009966388_200000210301 [0,2,0,0,0,0|2,0,0]=4 7416 B12R1.435 CNC(C)c1cc(ccn1)OC 269862a_106832991636_100000099827 [0,2,0,0,0,0|2,0,0]=4 7417 B12R1.435 CNC(C)c1cc(ccn1)OC 270004a_106832991635_100000099827 [0,2,0,0,0,0|2,0,0]=4 7418 B12R1.435 CNC(C)c1cccc(c1)OC 2230a_100000737859_200000210301 [0,2,0,0,0,0|1,0,0]=3 7419 B12R1.435 CNC(C)c1cccc(c1)OC 269862a_106832991636_100000171656 [0,2,0,0,0,0|1,0,0]=3 7420 B12R1.435 CNC(C)c1cccc(c1)SC 62a_100025717457_200000210301 [0,2,0,0,0,0|1,1,0]=4 7421 B12R1.435 CNC(C)c1cccc(c1)SC 62a_200000210301_100025717457 [0,2,0,0,0,0|1,1,0]=4 7422 B12R1.435 CNC(C)c1cccc(c1)S[13CH3] 62a_100025717457_200025704644 [0,2,0,0,0,0|1,1,0]=4 7423 B12R1.435 CNC(C)c1cccc(c1)S[13CH3] 62a_200025704644_100025717457 [0,2,0,0,0,0|1,1,0]=4 7424 B12R1.435 CNC(C)c1cccc(n1)OC 269862a_106832991636_100000069440 [0,2,0,0,0,0|2,0,0]=4 7425 B12R1.435 CNC(C)c1ccnc(c1)OC 269862a_106832991636_100000708580 [0,2,0,0,0,0|2,0,0]=4 7426 B12R1.435 CNC(C)c1cncc(c1)OC 269862a_106832991636_200011998261 [0,2,0,0,0,0|2,0,0]=4 7427 B12R1.435 CN[C@@H](C)c1ccnc(c1)OC 2230a_100012186823_200000210301 [0,2,0,0,0,0|2,0,0]=4 7428 B12R1.435 CN[C@H](C)c1cccc(n1)OC 2230a_100016223015_200000210301 [0,2,0,0,0,0|2,0,0]=4 7429 B12R1.435 CNc1cccc(n1)C(=O)OC 27a_100102657272_100000708286 [0,2,0,0,0,0|2,0,0]=4 7430 B12R1.435 COC(=O)c1cc(ccn1)OC 34a_200020638413_200000210301 [0,2,0,0,0,0|1,0,0]=3 7431 B12R1.435 COC(=O)c1cc(ccn1)O[13CH3] 34a_200020638413_200025704644 [0,2,0,0,0,0|1,0,0]=3 7432 B12R1.435 COC(=O)c1cc(ccn1)SC 62a_100000693414_200000210301 [0,2,0,0,0,0|1,1,0]=4 7433 B12R1.435 COC(=O)c1cc(ccn1)SC 62a_200000210301_100000693414 [0,2,0,0,0,0|1,1,0]=4 7434 B12R1.435 COC(=O)c1cc(ccn1)S[13CH3] 62a_100000693414_200025704644 [0,2,0,0,0,0|1,1,0]=4 7435 B12R1.435 COC(=O)c1cc(ccn1)S[13CH3] 62a_200025704644_100000693414 [0,2,0,0,0,0|1,1,0]=4 7436 B12R1.435 COC(=O)c1cccc(c1)OC 34a_100000150331_200000210301 [0,2,0,0,0,0|0,0,0]=2 7437 B12R1.435 COC(=O)c1cccc(c1)OC 7a_100000150331_200000210301 [0,2,0,0,0,0|0,0,0]=2 7438 B12R1.435 COC(=O)c1cccc(c1)O[13CH3] 34a_100000150331_200025704644 [0,2,0,0,0,0|0,0,0]=2 7439 B12R1.435 COC(=O)c1cccc(c1)O[13CH3] 7a_100000150331_200025704644 [0,2,0,0,0,0|0,0,0]=2 7440 B12R1.435 COC(=O)c1cccc(c1)SC 62a_100000148848_200000210301 [0,2,0,0,0,0|0,1,0]=3 7441 B12R1.435 COC(=O)c1cccc(c1)SC 62a_200000210301_100000148848 [0,2,0,0,0,0|0,1,0]=3 7442 B12R1.435 COC(=O)c1cccc(c1)S[13CH3] 62a_100000148848_200025704644 [0,2,0,0,0,0|0,1,0]=3 7443 B12R1.435 COC(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100000148848 [0,2,0,0,0,0|0,1,0]=3 7444 B12R1.435 COC(=O)c1cccc(n1)SC 62a_100000708286_200000210301 [0,2,0,0,0,0|1,1,0]=4 7445 B12R1.435 COC(=O)c1cccc(n1)SC 62a_200000210301_100000708286 [0,2,0,0,0,0|1,1,0]=4 7446 B12R1.435 COC(=O)c1cccc(n1)S[13CH3] 62a_100000708286_200025704644 [0,2,0,0,0,0|1,1,0]=4 7447 B12R1.435 COC(=O)c1cccc(n1)S[13CH3] 62a_200025704644_100000708286 [0,2,0,0,0,0|1,1,0]=4 7448 B12R1.435 COC(=O)c1ccnc(c1)OC 34a_100138552365_200000210301 [0,2,0,0,0,0|1,0,0]=3 7449 B12R1.435 COC(=O)c1ccnc(c1)O[13CH3] 34a_100138552365_200025704644 [0,2,0,0,0,0|1,0,0]=3 7450 B12R1.435 COC(=O)c1ccnc(c1)SC 62a_100011934382_200000210301 [0,2,0,0,0,0|1,1,0]=4 7451 B12R1.435 COC(=O)c1ccnc(c1)SC 62a_200000210301_100011934382 [0,2,0,0,0,0|1,1,0]=4 7452 B12R1.435 COC(=O)c1ccnc(c1)S[13CH3] 62a_100011934382_200025704644 [0,2,0,0,0,0|1,1,0]=4 7453 B12R1.435 COC(=O)c1ccnc(c1)S[13CH3] 62a_200025704644_100011934382 [0,2,0,0,0,0|1,1,0]=4 7454 B12R1.435 COC(=O)c1cncc(c1)OC 34a_100000687108_200000210301 [0,2,0,0,0,0|1,0,0]=3 7455 B12R1.435 COC(=O)c1cncc(c1)OC 7a_100000687108_200000210301 [0,2,0,0,0,0|1,0,0]=3 7456 B12R1.435 COC(=O)c1cncc(c1)O[13CH3] 34a_100000687108_200025704644 [0,2,0,0,0,0|1,0,0]=3 7457 B12R1.435 COC(=O)c1cncc(c1)O[13CH3] 7a_100000687108_200025704644 [0,2,0,0,0,0|1,0,0]=3 7458 B12R1.435 COC(=O)c1cncc(c1)SC 62a_100000148912_200000210301 [0,2,0,0,0,0|1,1,0]=4 7459 B12R1.435 COC(=O)c1cncc(c1)SC 62a_200000210301_100000148912 [0,2,0,0,0,0|1,1,0]=4 7460 B12R1.435 COC(=O)c1cncc(c1)S[13CH3] 62a_100000148912_200025704644 [0,2,0,0,0,0|1,1,0]=4 7461 B12R1.435 COC(=O)c1cncc(c1)S[13CH3] 62a_200025704644_100000148912 [0,2,0,0,0,0|1,1,0]=4 7462 B12R1.435 COc1cc(ccn1)[C@H](C)N[13CH3] 2230a_100012186823_200025704644 [0,2,0,0,0,0|2,0,0]=4 7463 B12R1.435 COc1cccc(c1)C(=NN)C 34a_100000689795_200000210301 [0,2,0,0,0,0|1,0,0]=3 7464 B12R1.435 COc1cccc(c1)C(=NO)N 34a_100000738085_200000210301 [0,2,0,0,0,0|2,0,0]=4 7465 B12R1.435 COc1cccc(c1)C(=O)CBr 7a_100009813753_200000210301 [0,2,0,0,0,0|1,0,0]=3 7466 B12R1.435 COc1cccc(c1)C(=O)CF 1458a_100000188888_100015361967 [0,2,0,0,0,0|1,0,0]=3 7467 B12R1.435 COc1cccc(c1)C(=O)NN 34a_100000184184_200000210301 [0,2,0,0,0,0|2,0,0]=4 7468 B12R1.435 COc1cccc(c1)C(C)N[13CH3] 2230a_100000737859_200025704644 [0,2,0,0,0,0|1,0,0]=3 7469 B12R1.435 COc1cccc(c1)C(C)OC 34a_100000246466_200000210301 [0,2,0,0,0,0|0,0,0]=2 7470 B12R1.435 COc1cccc(c1)C(C)OC 7a_100000246466_200000210301 [0,2,0,0,0,0|0,0,0]=2 7471 B12R1.435 COc1cccc(c1)C(C)O[13CH3] 34a_100000246466_200025704644 [0,2,0,0,0,0|0,0,0]=2 7472 B12R1.435 COc1cccc(c1)C(C)O[13CH3] 7a_100000246466_200025704644 [0,2,0,0,0,0|0,0,0]=2 7473 B12R1.435 COc1cccc(c1)C(N)CO 34a_100025717460_200000210301 [0,2,0,0,0,0|1,0,0]=3 7474 B12R1.435 COc1cccc(c1)C(O)CN 34a_100020657549_200000210301 [0,2,0,0,0,0|1,0,0]=3 7475 B12R1.435 COc1cccc(c1)N(C)CF 269982a_100000219725_100015361967 [0,2,0,0,0,0|1,0,0]=3 7476 B12R1.435 COc1cccc(c1)N(C)CF 34a_100000219725_100015361967 [0,2,0,0,0,0|1,0,0]=3 7477 B12R1.435 COc1cccc(n1)[C@@H](C)N[13CH3] 2230a_100016223015_200025704644 [0,2,0,0,0,0|2,0,0]=4 7478 B12R1.435 COc1ccnc(c1)C(C)N[13CH3] 2230a_100009966388_200025704644 [0,2,0,0,0,0|2,0,0]=4 7479 B12R1.435 CSc1cccc(c1)C(=O)CF 1458a_100011217804_100015361967 [0,2,0,0,0,0|1,1,0]=4 7480 B12R1.435 CSc1cccc(c1)C(=O)CN 62a_100020587001_200000210301 [0,2,0,0,0,0|1,1,0]=4 7481 B12R1.435 CSc1cccc(c1)C(=O)CN 62a_200000210301_100020587001 [0,2,0,0,0,0|1,1,0]=4 7482 B12R1.435 CSc1cccc(c1)C(N)CO 62a_100000690078_200000210301 [0,2,0,0,0,0|1,1,0]=4 7483 B12R1.435 CSc1cccc(c1)C(N)CO 62a_200000210301_100000690078 [0,2,0,0,0,0|1,1,0]=4 7484 B12R1.435 CSc1cccc(c1)N(C)CF 269982a_100020672454_100015361967 [0,2,0,0,0,0|1,1,0]=4 7485 B12R1.435 CSc1cccc(c1)N(C)CF 34a_100020672454_100015361967 [0,2,0,0,0,0|1,1,0]=4 7486 B12R1.435 [13CH3]Oc1cccc(c1)C(=NO)N 34a_100000738085_200025704644 [0,2,0,0,0,0|2,0,0]=4 7487 B12R1.435 [13CH3]Oc1cccc(c1)C(=O)CBr 7a_100009813753_200025704644 [0,2,0,0,0,0|1,0,0]=3 7488 B12R1.435 [13CH3]Oc1cccc(c1)C(=O)NN 34a_100000184184_200025704644 [0,2,0,0,0,0|2,0,0]=4 7489 B12R1.435 [13CH3]Oc1cccc(c1)C(N)CO 34a_100025717460_200025704644 [0,2,0,0,0,0|1,0,0]=3 7490 B12R1.435 [13CH3]Oc1cccc(c1)C(O)CN 34a_100020657549_200025704644 [0,2,0,0,0,0|1,0,0]=3 7491 B12R1.435 [13CH3]Sc1cccc(c1)C(=O)CN 62a_100020587001_200025704644 [0,2,0,0,0,0|1,1,0]=4 7492 B12R1.435 [13CH3]Sc1cccc(c1)C(=O)CN 62a_200025704644_100020587001 [0,2,0,0,0,0|1,1,0]=4 7493 B12R1.435 [13CH3]Sc1cccc(c1)C(N)CO 62a_100000690078_200025704644 [0,2,0,0,0,0|1,1,0]=4 7494 B12R1.435 [13CH3]Sc1cccc(c1)C(N)CO 62a_200025704644_100000690078 [0,2,0,0,0,0|1,1,0]=4 7495 B12R1.438 C#Cc1cccc(c1)OC(C)C 34a_100011216014_100000210206 [0,2,0,0,0,0|1,0,1]=4 7496 B12R1.438 C#Cc1cccc(c1)OC(C)C 7a_100011216014_100000210206 [0,2,0,0,0,0|1,0,1]=4 7497 B12R1.438 C=Cc1cccc(c1)OC(=O)C 271570a_100011290941_100009811612 [0,2,0,0,0,0|1,0,1]=4 7498 B12R1.438 C=Cc1cccc(c1)OC(C)C 271570a_100011290941_100000170003 [0,2,0,0,0,0|1,0,1]=4 7499 B12R1.438 C=Cc1cccc(c1)OC(C)C 34a_100011309434_100000210206 [0,2,0,0,0,0|1,0,1]=4 7500 B12R1.438 C=Cc1cccc(c1)OC(C)C 7a_100011309434_100000210206 [0,2,0,0,0,0|1,0,1]=4 7501 B12R1.438 C=Cc1cccc(c1)OC(F)F 271570a_100011290941_100000179092 [0,2,0,0,0,0|1,0,1]=4 7502 B12R1.438 CC(=O)Cc1cccc(c1)S[13CH3] 62a_100000689217_200025704644 [0,2,0,0,0,0|1,1,0]=4 7503 B12R1.438 CC(=O)Cc1cccc(c1)S[13CH3] 62a_200025704644_100000689217 [0,2,0,0,0,0|1,1,0]=4 7504 B12R1.438 CC(=O)Nc1cccc(c1)N[13CH3] 34a_100000749408_200025704644 [0,2,0,0,0,0|2,0,0]=4 7505 B12R1.438 CC(=O)Nc1cccc(c1)O[13CH3] 34a_100000158604_200025704644 [0,2,0,0,0,0|1,0,0]=3 7506 B12R1.438 CC(=O)Nc1cccc(c1)O[13CH3] 7a_100000158604_200025704644 [0,2,0,0,0,0|1,0,0]=3 7507 B12R1.438 CC(=O)Nc1cccc(c1)S[13CH3] 62a_200025704644_100000153616 [0,2,0,0,0,0|1,1,0]=4 7508 B12R1.438 CC(=O)Oc1cccc(c1)O[13CH3] 7a_100011218754_200025704644 [0,2,0,0,0,0|0,0,0]=2 7509 B12R1.438 CC(=O)Oc1cccc(c1)S[13CH3] 62a_200025704644_100009811612 [0,2,0,0,0,0|0,1,0]=3 7510 B12R1.438 CC(C)Cc1cccc(c1)S[13CH3] 62a_100010883412_200025704644 [0,2,0,0,0,0|1,1,0]=4 7511 B12R1.438 CC(C)Cc1cccc(c1)S[13CH3] 62a_200025704644_100010883412 [0,2,0,0,0,0|1,1,0]=4 7512 B12R1.438 CC(C)Nc1cccc(c1)S[13CH3] 62a_100000219649_200025704644 [0,2,0,0,0,0|1,1,0]=4 7513 B12R1.438 CC(C)Nc1cccc(c1)S[13CH3] 62a_200025704644_100000219649 [0,2,0,0,0,0|1,1,0]=4 7514 B12R1.438 CC(C)Oc1cc(ccn1)S[13CH3] 62a_100010247003_200025704644 [0,2,0,0,0,0|1,1,0]=4 7515 B12R1.438 CC(C)Oc1cc(ccn1)S[13CH3] 62a_200025704644_100010247003 [0,2,0,0,0,0|1,1,0]=4 7516 B12R1.438 CC(C)Oc1cccc(c1)C#N 34a_100000184713_100000210206 [0,2,0,0,0,0|2,0,0]=4 7517 B12R1.438 CC(C)Oc1cccc(c1)C#N 7a_100000184713_100000210206 [0,2,0,0,0,0|2,0,0]=4 7518 B12R1.438 CC(C)Oc1cccc(c1)CBr 34a_100011660834_100000210206 [0,2,0,0,0,0|2,0,0]=4 7519 B12R1.438 CC(C)Oc1cccc(c1)CBr 7a_100011660834_100000210206 [0,2,0,0,0,0|2,0,0]=4 7520 B12R1.438 CC(C)Oc1cccc(c1)CCl 34a_100000084143_100000210206 [0,2,0,0,0,0|2,0,0]=4 7521 B12R1.438 CC(C)Oc1cccc(c1)CCl 7a_100000084143_100000210206 [0,2,0,0,0,0|2,0,0]=4 7522 B12R1.438 CC(C)Oc1cccc(c1)CN 34a_100000743036_100000210206 [0,2,0,0,0,0|2,0,0]=4 7523 B12R1.438 CC(C)Oc1cccc(c1)CO 34a_100011214949_100000210206 [0,2,0,0,0,0|2,0,0]=4 7524 B12R1.438 CC(C)Oc1cccc(c1)CO 7a_100011214949_100000210206 [0,2,0,0,0,0|2,0,0]=4 7525 B12R1.438 CC(C)Oc1cccc(c1)N[13CH3] 2230a_100011194262_200025704644 [0,2,0,0,0,0|1,0,0]=3 7526 B12R1.438 CC(C)Oc1cccc(c1)N[13CH3] 34a_100011194262_200025704644 [0,2,0,0,0,0|1,0,0]=3 7527 B12R1.438 CC(C)Oc1cccc(c1)N[13CH3] 7a_100011194262_200025704644 [0,2,0,0,0,0|1,0,0]=3 7528 B12R1.438 CC(C)Oc1cccc(c1)O[13CH3] 34a_100000753242_200025704644 [0,2,0,0,0,0|0,0,0]=2 7529 B12R1.438 CC(C)Oc1cccc(c1)O[13CH3] 7a_100000753242_200025704644 [0,2,0,0,0,0|0,0,0]=2 7530 B12R1.438 CC(C)Oc1cccc(c1)S[13CH3] 62a_100000170003_200025704644 [0,2,0,0,0,0|0,1,0]=3 7531 B12R1.438 CC(C)Oc1cccc(c1)S[13CH3] 62a_200025704644_100000170003 [0,2,0,0,0,0|0,1,0]=3 7532 B12R1.438 CC(C)Oc1cccc(n1)S[13CH3] 62a_100000703025_200025704644 [0,2,0,0,0,0|1,1,0]=4 7533 B12R1.438 CC(C)Oc1cccc(n1)S[13CH3] 62a_200025704644_100000703025 [0,2,0,0,0,0|1,1,0]=4 7534 B12R1.438 CC(C)Oc1cncc(c1)S[13CH3] 62a_100012029599_200025704644 [0,2,0,0,0,0|1,1,0]=4 7535 B12R1.438 CC(C)Oc1cncc(c1)S[13CH3] 62a_200025704644_100012029599 [0,2,0,0,0,0|1,1,0]=4 7536 B12R1.438 CC(C)Sc1cccc(c1)S[13CH3] 62a_100009815759_200025704644 [0,2,0,0,0,0|0,2,0]=4 7537 B12R1.438 CC(C)Sc1cccc(c1)S[13CH3] 62a_200025704644_100009815759 [0,2,0,0,0,0|0,2,0]=4 7538 B12R1.438 CC[n+]1cccc(c1)OC(C)C 34a_100000731997_100000210206 [0,2,0,0,0,0|2,0,0]=4 7539 B12R1.438 CC[n+]1cccc(c1)OC(C)C 7a_100000731997_100000210206 [0,2,0,0,0,0|2,0,0]=4 7540 B12R1.438 CCc1cccc(c1)C=C(C)C 271570a_100102525489_100000684523 [0,2,0,0,0,0|2,0,0]=4 7541 B12R1.438 CCc1cccc(c1)CN(C)C 270004a_100102631434_100011999841 [0,2,0,0,0,0|2,0,0]=4 7542 B12R1.438 CCc1cccc(c1)NC(=O)C 11a_100000211250_100015343762 [0,2,0,0,0,0|2,0,0]=4 7543 B12R1.438 CCc1cccc(c1)NC(=O)C 1626a_100000211250_100015343762 [0,2,0,0,0,0|2,0,0]=4 7544 B12R1.438 CCc1cccc(c1)NC(=O)C 22a_100000211250_100000070787 [0,2,0,0,0,0|2,0,0]=4 7545 B12R1.438 CCc1cccc(c1)NC(=O)C 527a_100000211250_100103153847 [0,2,0,0,0,0|2,0,0]=4 7546 B12R1.438 CCc1cccc(c1)NC(C)C 2230a_100000211250_100000210206 [0,2,0,0,0,0|2,0,0]=4 7547 B12R1.438 CCc1cccc(c1)NC(C)C 34a_100000211250_100000210206 [0,2,0,0,0,0|2,0,0]=4 7548 B12R1.438 CCc1cccc(c1)NC(C)C 7a_100000211250_100000210206 [0,2,0,0,0,0|2,0,0]=4 7549 B12R1.438 CCc1cccc(c1)OC(C)C 34a_100000211550_100000210206 [0,2,0,0,0,0|1,0,0]=3 7550 B12R1.438 CCc1cccc(c1)OC(C)C 7a_100000211550_100000210206 [0,2,0,0,0,0|1,0,0]=3 7551 B12R1.438 CCc1cccc(c1)SC(C)C 62a_100000210206_100011263222 [0,2,0,0,0,0|1,1,0]=4 7552 B12R1.438 CCc1cccc(c1)SC(C)C 62a_100011263222_100000210206 [0,2,0,0,0,0|1,1,0]=4 7553 B12R1.438 CCc1cncc(c1)OC(C)C 34a_200009861530_100000210206 [0,2,0,0,0,0|2,0,0]=4 7554 B12R1.438 CCc1cncc(c1)OC(C)C 7a_200009861530_100000210206 [0,2,0,0,0,0|2,0,0]=4 7555 B12R1.438 CN(C)Cc1cccc(c1)S[13CH3] 62a_100000174759_200025704644 [0,2,0,0,0,0|1,1,0]=4 7556 B12R1.438 CN(C)Cc1cccc(c1)S[13CH3] 62a_200025704644_100000174759 [0,2,0,0,0,0|1,1,0]=4 7557 B12R1.438 CNc1cccc(c1)C=C(C)C 271570a_100102525489_100000219648 [0,2,0,0,0,0|2,0,0]=4 7558 B12R1.438 CNc1cccc(c1)NC(=O)C 34a_100000749408_200000210301 [0,2,0,0,0,0|2,0,0]=4 7559 B12R1.438 CNc1cccc(c1)OC(C)C 2230a_100011194262_200000210301 [0,2,0,0,0,0|1,0,0]=3 7560 B12R1.438 CNc1cccc(c1)OC(C)C 34a_100000756613_100000210206 [0,2,0,0,0,0|1,0,0]=3 7561 B12R1.438 CNc1cccc(c1)OC(C)C 34a_100011194262_200000210301 [0,2,0,0,0,0|1,0,0]=3 7562 B12R1.438 CNc1cccc(c1)OC(C)C 7a_100000756613_100000210206 [0,2,0,0,0,0|1,0,0]=3 7563 B12R1.438 CNc1cccc(c1)OC(C)C 7a_100011194262_200000210301 [0,2,0,0,0,0|1,0,0]=3 7564 B12R1.438 CNc1cccc(c1)OC(F)F 2230a_100000217533_200000210301 [0,2,0,0,0,0|1,0,0]=3 7565 B12R1.438 CNc1cccc(c1)OC(F)F 34a_100000217533_200000210301 [0,2,0,0,0,0|1,0,0]=3 7566 B12R1.438 CNc1cccc(c1)OC(F)F 7a_100000217533_200000210301 [0,2,0,0,0,0|1,0,0]=3 7567 B12R1.438 CNc1cccc(c1)SC(C)C 62a_100000210206_100000219648 [0,2,0,0,0,0|1,1,0]=4 7568 B12R1.438 CNc1cccc(c1)SC(C)C 62a_100000219648_100000210206 [0,2,0,0,0,0|1,1,0]=4 7569 B12R1.438 CNc1cccc(c1)SC(F)F 2230a_100000749997_200000210301 [0,2,0,0,0,0|1,1,0]=4 7570 B12R1.438 CNc1cccc(c1)SC(F)F 34a_100000749997_200000210301 [0,2,0,0,0,0|1,1,0]=4 7571 B12R1.438 CNc1cccc(n1)OC(C)C 27a_100102657272_100000703025 [0,2,0,0,0,0|2,0,0]=4 7572 B12R1.438 CNc1ccnc(c1)OC(C)C 27a_100102657272_100010247003 [0,2,0,0,0,0|2,0,0]=4 7573 B12R1.438 COc1cc(ccn1)C=C(C)C 271570a_100102525489_100000117307 [0,2,0,0,0,0|2,0,0]=4 7574 B12R1.438 COc1cc(ccn1)CC(=O)C 1458a_100000070787_100103152439 [0,2,0,0,0,0|2,0,0]=4 7575 B12R1.438 COc1cc(ccn1)CC(=O)C 1458a_100000718155_200000210301 [0,2,0,0,0,0|2,0,0]=4 7576 B12R1.438 COc1cc(ccn1)CC(=O)[13CH3] 1458a_100000718155_200025704644 [0,2,0,0,0,0|2,0,0]=4 7577 B12R1.438 COc1cc(ccn1)CN(C)C 2230a_100102631434_100103152439 [0,2,0,0,0,0|2,0,0]=4 7578 B12R1.438 COc1cc(ccn1)CN(C)C 269982a_100102631434_100103152439 [0,2,0,0,0,0|2,0,0]=4 7579 B12R1.438 COc1cc(ccn1)CN(C)C 270004a_100102631434_100000050969 [0,2,0,0,0,0|2,0,0]=4 7580 B12R1.438 COc1cc(ccn1)OC(C)C 34a_100012181050_100000210206 [0,2,0,0,0,0|1,0,0]=3 7581 B12R1.438 COc1cc(ccn1)SC(C)C 62a_100000117307_100000210206 [0,2,0,0,0,0|1,1,0]=4 7582 B12R1.438 COc1cc(ccn1)SC(C)C 62a_100000210206_100000117307 [0,2,0,0,0,0|1,1,0]=4 7583 B12R1.438 COc1cccc(c1)C=C(C)C 271570a_100102525489_100000170001 [0,2,0,0,0,0|1,0,0]=3 7584 B12R1.438 COc1cccc(c1)CC(=O)C 1458a_100000070787_100000211672 [0,2,0,0,0,0|1,0,0]=3 7585 B12R1.438 COc1cccc(c1)CC(=O)C 1458a_100000211281_200000210301 [0,2,0,0,0,0|1,0,0]=3 7586 B12R1.438 COc1cccc(c1)CC(=O)N 34a_200000747573_200000210301 [0,2,0,0,0,0|1,0,1]=4 7587 B12R1.438 COc1cccc(c1)CC(=O)N 7a_200000747573_200000210301 [0,2,0,0,0,0|1,0,1]=4 7588 B12R1.438 COc1cccc(c1)CC(=O)[13CH3] 1458a_100000211281_200025704644 [0,2,0,0,0,0|1,0,0]=3 7589 B12R1.438 COc1cccc(c1)CN(C)C 2230a_100000184262_200000210301 [0,2,0,0,0,0|1,0,0]=3 7590 B12R1.438 COc1cccc(c1)CN(C)C 2230a_100102631434_100000211672 [0,2,0,0,0,0|1,0,0]=3 7591 B12R1.438 COc1cccc(c1)CN(C)C 269982a_100000184262_200000210301 [0,2,0,0,0,0|1,0,0]=3 7592 B12R1.438 COc1cccc(c1)CN(C)C 269982a_100102631434_100000688526 [0,2,0,0,0,0|1,0,0]=3 7593 B12R1.438 COc1cccc(c1)CN(C)C 270004a_100102631434_100000170238 [0,2,0,0,0,0|1,0,0]=3 7594 B12R1.438 COc1cccc(c1)CN(C)[13CH3] 2230a_100000184262_200025704644 [0,2,0,0,0,0|1,0,0]=3 7595 B12R1.438 COc1cccc(c1)CN(C)[13CH3] 269982a_100000184262_200025704644 [0,2,0,0,0,0|1,0,0]=3 7596 B12R1.438 COc1cccc(c1)NC(=O)C 11a_100000210024_100015343762 [0,2,0,0,0,0|1,0,0]=3 7597 B12R1.438 COc1cccc(c1)NC(=O)C 1626a_100000210024_100015343762 [0,2,0,0,0,0|1,0,0]=3 7598 B12R1.438 COc1cccc(c1)NC(=O)C 22a_100000210024_100000070787 [0,2,0,0,0,0|1,0,0]=3 7599 B12R1.438 COc1cccc(c1)NC(=O)C 34a_100000158604_200000210301 [0,2,0,0,0,0|1,0,0]=3 7600 B12R1.438 COc1cccc(c1)NC(=O)C 527a_100000210024_100103153847 [0,2,0,0,0,0|1,0,0]=3 7601 B12R1.438 COc1cccc(c1)NC(=O)C 7a_100000158604_200000210301 [0,2,0,0,0,0|1,0,0]=3 7602 B12R1.438 COc1cccc(c1)NC(=O)N 34a_100011219624_200000210301 [0,2,0,0,0,0|1,0,1]=4 7603 B12R1.438 COc1cccc(c1)NC(=O)N 7a_100011219624_200000210301 [0,2,0,0,0,0|1,0,1]=4 7604 B12R1.438 COc1cccc(c1)NC(=S)N 7a_100000023991_200000210301 [0,2,0,0,0,0|1,0,1]=4 7605 B12R1.438 COc1cccc(c1)NC(C)C 34a_100000210024_100000210206 [0,2,0,0,0,0|1,0,0]=3 7606 B12R1.438 COc1cccc(c1)OC(=O)C 7a_100011218754_200000210301 [0,2,0,0,0,0|0,0,0]=2 7607 B12R1.438 COc1cccc(c1)OC(C)C 34a_100000211255_100000210206 [0,2,0,0,0,0|0,0,0]=2 7608 B12R1.438 COc1cccc(c1)OC(C)C 34a_100000753242_200000210301 [0,2,0,0,0,0|0,0,0]=2 7609 B12R1.438 COc1cccc(c1)OC(C)C 7a_100000211255_100000210206 [0,2,0,0,0,0|0,0,0]=2 7610 B12R1.438 COc1cccc(c1)OC(C)C 7a_100000753242_200000210301 [0,2,0,0,0,0|0,0,0]=2 7611 B12R1.438 COc1cccc(c1)OC(F)F 34a_100000703596_200000210301 [0,2,0,0,0,0|0,0,0]=2 7612 B12R1.438 COc1cccc(c1)OC(F)F 7a_100000703596_200000210301 [0,2,0,0,0,0|0,0,0]=2 7613 B12R1.438 COc1cccc(c1)SC(C)C 62a_100000210206_100000170001 [0,2,0,0,0,0|0,1,0]=3 7614 B12R1.438 COc1cccc(n1)C=C(C)C 271570a_100102525489_100000760917 [0,2,0,0,0,0|2,0,0]=4 7615 B12R1.438 COc1cccc(n1)CC(=O)C 1458a_100000070787_100000755263 [0,2,0,0,0,0|2,0,0]=4 7616 B12R1.438 COc1cccc(n1)CN(C)C 2230a_100102631434_100000755263 [0,2,0,0,0,0|2,0,0]=4 7617 B12R1.438 COc1cccc(n1)CN(C)C 269982a_100102631434_100000755263 [0,2,0,0,0,0|2,0,0]=4 7618 B12R1.438 COc1cccc(n1)CN(C)C 270004a_100102631434_100000694346 [0,2,0,0,0,0|2,0,0]=4 7619 B12R1.438 COc1cccc(n1)SC(C)C 62a_100000210206_100000760917 [0,2,0,0,0,0|1,1,0]=4 7620 B12R1.438 COc1cccc(n1)SC(C)C 62a_100000760917_100000210206 [0,2,0,0,0,0|1,1,0]=4 7621 B12R1.438 COc1ccnc(c1)C=C(C)C 271570a_100102525489_100011216251 [0,2,0,0,0,0|2,0,0]=4 7622 B12R1.438 COc1ccnc(c1)CC(=O)C 1458a_100000070787_100000752681 [0,2,0,0,0,0|2,0,0]=4 7623 B12R1.438 COc1ccnc(c1)CN(C)C 2230a_100102631434_100000752681 [0,2,0,0,0,0|2,0,0]=4 7624 B12R1.438 COc1ccnc(c1)CN(C)C 269982a_100102631434_100000752681 [0,2,0,0,0,0|2,0,0]=4 7625 B12R1.438 COc1ccnc(c1)CN(C)C 270004a_100102631434_100000087537 [0,2,0,0,0,0|2,0,0]=4 7626 B12R1.438 COc1ccnc(c1)OC(F)F 34a_100009881597_200000210301 [0,2,0,0,0,0|1,0,0]=3 7627 B12R1.438 COc1ccnc(c1)SC(C)C 62a_100000210206_100011216251 [0,2,0,0,0,0|1,1,0]=4 7628 B12R1.438 COc1ccnc(c1)SC(C)C 62a_100009817693_100000210206 [0,2,0,0,0,0|1,1,0]=4 7629 B12R1.438 COc1cncc(c1)C=C(C)C 271570a_100102525489_100000684773 [0,2,0,0,0,0|2,0,0]=4 7630 B12R1.438 COc1cncc(c1)CN(C)C 270004a_100102631434_100011361638 [0,2,0,0,0,0|2,0,0]=4 7631 B12R1.438 COc1cncc(c1)OC(C)C 34a_100000084572_100000210206 [0,2,0,0,0,0|1,0,0]=3 7632 B12R1.438 COc1cncc(c1)OC(C)C 7a_100000084572_100000210206 [0,2,0,0,0,0|1,0,0]=3 7633 B12R1.438 COc1cncc(c1)SC(C)C 62a_100000050176_100000210206 [0,2,0,0,0,0|1,1,0]=4 7634 B12R1.438 COc1cncc(c1)SC(C)C 62a_100000210206_100000050176 [0,2,0,0,0,0|1,1,0]=4 7635 B12R1.438 CSc1cc(ccn1)OC(F)F 62a_100009844305_200000210301 [0,2,0,0,0,0|1,1,0]=4 7636 B12R1.438 CSc1cc(ccn1)OC(F)F 62a_200000210301_100009844305 [0,2,0,0,0,0|1,1,0]=4 7637 B12R1.438 CSc1cccc(c1)C=C(C)C 271570a_100102525489_100011215954 [0,2,0,0,0,0|1,1,0]=4 7638 B12R1.438 CSc1cccc(c1)CC(=O)C 1458a_100000035702_200000210301 [0,2,0,0,0,0|1,1,0]=4 7639 B12R1.438 CSc1cccc(c1)CC(=O)C 62a_100000689217_200000210301 [0,2,0,0,0,0|1,1,0]=4 7640 B12R1.438 CSc1cccc(c1)CC(=O)C 62a_200000210301_100000689217 [0,2,0,0,0,0|1,1,0]=4 7641 B12R1.438 CSc1cccc(c1)CC(=O)[13CH3] 1458a_100000035702_200025704644 [0,2,0,0,0,0|1,1,0]=4 7642 B12R1.438 CSc1cccc(c1)CC(C)C 62a_100010883412_200000210301 [0,2,0,0,0,0|1,1,0]=4 7643 B12R1.438 CSc1cccc(c1)CC(C)C 62a_200000210301_100010883412 [0,2,0,0,0,0|1,1,0]=4 7644 B12R1.438 CSc1cccc(c1)CN(C)C 2230a_100011934695_200000210301 [0,2,0,0,0,0|1,1,0]=4 7645 B12R1.438 CSc1cccc(c1)CN(C)C 269982a_100011934695_200000210301 [0,2,0,0,0,0|1,1,0]=4 7646 B12R1.438 CSc1cccc(c1)CN(C)C 270004a_100102631434_100011935093 [0,2,0,0,0,0|1,1,0]=4 7647 B12R1.438 CSc1cccc(c1)CN(C)C 62a_100000174759_200000210301 [0,2,0,0,0,0|1,1,0]=4 7648 B12R1.438 CSc1cccc(c1)CN(C)C 62a_200000210301_100000174759 [0,2,0,0,0,0|1,1,0]=4 7649 B12R1.438 CSc1cccc(c1)CN(C)[13CH3] 2230a_100011934695_200025704644 [0,2,0,0,0,0|1,1,0]=4 7650 B12R1.438 CSc1cccc(c1)CN(C)[13CH3] 269982a_100011934695_200025704644 [0,2,0,0,0,0|1,1,0]=4 7651 B12R1.438 CSc1cccc(c1)NC(=O)C 11a_100000210049_100015343762 [0,2,0,0,0,0|1,1,0]=4 7652 B12R1.438 CSc1cccc(c1)NC(=O)C 1626a_100000210049_100015343762 [0,2,0,0,0,0|1,1,0]=4 7653 B12R1.438 CSc1cccc(c1)NC(=O)C 22a_100000210049_100000070787 [0,2,0,0,0,0|1,1,0]=4 7654 B12R1.438 CSc1cccc(c1)NC(=O)C 527a_100000210049_100103153847 [0,2,0,0,0,0|1,1,0]=4 7655 B12R1.438 CSc1cccc(c1)NC(=O)C 62a_200000210301_100000153616 [0,2,0,0,0,0|1,1,0]=4 7656 B12R1.438 CSc1cccc(c1)NC(C)C 2230a_100000210049_100000210206 [0,2,0,0,0,0|1,1,0]=4 7657 B12R1.438 CSc1cccc(c1)NC(C)C 34a_100000210049_100000210206 [0,2,0,0,0,0|1,1,0]=4 7658 B12R1.438 CSc1cccc(c1)NC(C)C 62a_100000219649_200000210301 [0,2,0,0,0,0|1,1,0]=4 7659 B12R1.438 CSc1cccc(c1)NC(C)C 62a_200000210301_100000219649 [0,2,0,0,0,0|1,1,0]=4 7660 B12R1.438 CSc1cccc(c1)OC(=O)C 62a_200000210301_100009811612 [0,2,0,0,0,0|0,1,0]=3 7661 B12R1.438 CSc1cccc(c1)OC(C)C 34a_100011265683_100000210206 [0,2,0,0,0,0|0,1,0]=3 7662 B12R1.438 CSc1cccc(c1)OC(C)C 62a_100000170003_200000210301 [0,2,0,0,0,0|0,1,0]=3 7663 B12R1.438 CSc1cccc(c1)OC(C)C 62a_200000210301_100000170003 [0,2,0,0,0,0|0,1,0]=3 7664 B12R1.438 CSc1cccc(c1)OC(C)C 7a_100011265683_100000210206 [0,2,0,0,0,0|0,1,0]=3 7665 B12R1.438 CSc1cccc(c1)OC(F)F 62a_100000179057_200000210301 [0,2,0,0,0,0|0,1,0]=3 7666 B12R1.438 CSc1cccc(c1)OC(F)F 62a_200000210301_100000179057 [0,2,0,0,0,0|0,1,0]=3 7667 B12R1.438 CSc1cccc(c1)SC(C)C 62a_100000210206_100011215954 [0,2,0,0,0,0|0,2,0]=4 7668 B12R1.438 CSc1cccc(c1)SC(C)C 62a_100009815759_200000210301 [0,2,0,0,0,0|0,2,0]=4 7669 B12R1.438 CSc1cccc(c1)SC(C)C 62a_100011215954_100000210206 [0,2,0,0,0,0|0,2,0]=4 7670 B12R1.438 CSc1cccc(c1)SC(C)C 62a_200000210301_100009815759 [0,2,0,0,0,0|0,2,0]=4 7671 B12R1.438 CSc1cccc(n1)OC(C)C 62a_100000703025_200000210301 [0,2,0,0,0,0|1,1,0]=4 7672 B12R1.438 CSc1cccc(n1)OC(C)C 62a_200000210301_100000703025 [0,2,0,0,0,0|1,1,0]=4 7673 B12R1.438 CSc1cccc(n1)OC(F)F 62a_100010172928_200000210301 [0,2,0,0,0,0|1,1,0]=4 7674 B12R1.438 CSc1cccc(n1)OC(F)F 62a_200000210301_100010172928 [0,2,0,0,0,0|1,1,0]=4 7675 B12R1.438 CSc1ccnc(c1)OC(C)C 62a_100010247003_200000210301 [0,2,0,0,0,0|1,1,0]=4 7676 B12R1.438 CSc1ccnc(c1)OC(C)C 62a_200000210301_100010247003 [0,2,0,0,0,0|1,1,0]=4 7677 B12R1.438 CSc1ccnc(c1)OC(F)F 62a_100010184862_200000210301 [0,2,0,0,0,0|1,1,0]=4 7678 B12R1.438 CSc1ccnc(c1)OC(F)F 62a_200000210301_100010184862 [0,2,0,0,0,0|1,1,0]=4 7679 B12R1.438 CSc1cncc(c1)OC(C)C 62a_100012029599_200000210301 [0,2,0,0,0,0|1,1,0]=4 7680 B12R1.438 CSc1cncc(c1)OC(C)C 62a_200000210301_100012029599 [0,2,0,0,0,0|1,1,0]=4 7681 B12R1.438 CSc1cncc(c1)OC(F)F 62a_200000210301_200012029600 [0,2,0,0,0,0|1,1,0]=4 7682 B12R1.438 CSc1cncc(c1)OC(F)F 62a_200012029600_200000210301 [0,2,0,0,0,0|1,1,0]=4 7683 B12R1.438 [13CH3]Nc1cccc(c1)OC(F)F 2230a_100000217533_200025704644 [0,2,0,0,0,0|1,0,0]=3 7684 B12R1.438 [13CH3]Nc1cccc(c1)OC(F)F 34a_100000217533_200025704644 [0,2,0,0,0,0|1,0,0]=3 7685 B12R1.438 [13CH3]Nc1cccc(c1)OC(F)F 7a_100000217533_200025704644 [0,2,0,0,0,0|1,0,0]=3 7686 B12R1.438 [13CH3]Nc1cccc(c1)SC(F)F 2230a_100000749997_200025704644 [0,2,0,0,0,0|1,1,0]=4 7687 B12R1.438 [13CH3]Nc1cccc(c1)SC(F)F 34a_100000749997_200025704644 [0,2,0,0,0,0|1,1,0]=4 7688 B12R1.438 [13CH3]Oc1cccc(c1)CC(=O)N 34a_200000747573_200025704644 [0,2,0,0,0,0|1,0,1]=4 7689 B12R1.438 [13CH3]Oc1cccc(c1)CC(=O)N 7a_200000747573_200025704644 [0,2,0,0,0,0|1,0,1]=4 7690 B12R1.438 [13CH3]Oc1cccc(c1)NC(=O)N 34a_100011219624_200025704644 [0,2,0,0,0,0|1,0,1]=4 7691 B12R1.438 [13CH3]Oc1cccc(c1)NC(=O)N 7a_100011219624_200025704644 [0,2,0,0,0,0|1,0,1]=4 7692 B12R1.438 [13CH3]Oc1cccc(c1)NC(=S)N 7a_100000023991_200025704644 [0,2,0,0,0,0|1,0,1]=4 7693 B12R1.438 [13CH3]Oc1cccc(c1)OC(F)F 34a_100000703596_200025704644 [0,2,0,0,0,0|0,0,0]=2 7694 B12R1.438 [13CH3]Oc1cccc(c1)OC(F)F 7a_100000703596_200025704644 [0,2,0,0,0,0|0,0,0]=2 7695 B12R1.438 [13CH3]Oc1ccnc(c1)OC(F)F 34a_100009881597_200025704644 [0,2,0,0,0,0|1,0,0]=3 7696 B12R1.438 [13CH3]Sc1cc(ccn1)OC(F)F 62a_100009844305_200025704644 [0,2,0,0,0,0|1,1,0]=4 7697 B12R1.438 [13CH3]Sc1cc(ccn1)OC(F)F 62a_200025704644_100009844305 [0,2,0,0,0,0|1,1,0]=4 7698 B12R1.438 [13CH3]Sc1cccc(c1)OC(F)F 62a_100000179057_200025704644 [0,2,0,0,0,0|0,1,0]=3 7699 B12R1.438 [13CH3]Sc1cccc(c1)OC(F)F 62a_200025704644_100000179057 [0,2,0,0,0,0|0,1,0]=3 7700 B12R1.438 [13CH3]Sc1cccc(n1)OC(F)F 62a_100010172928_200025704644 [0,2,0,0,0,0|1,1,0]=4 7701 B12R1.438 [13CH3]Sc1cccc(n1)OC(F)F 62a_200025704644_100010172928 [0,2,0,0,0,0|1,1,0]=4 7702 B12R1.438 [13CH3]Sc1ccnc(c1)OC(F)F 62a_100010184862_200025704644 [0,2,0,0,0,0|1,1,0]=4 7703 B12R1.438 [13CH3]Sc1ccnc(c1)OC(F)F 62a_200025704644_100010184862 [0,2,0,0,0,0|1,1,0]=4 7704 B12R1.438 [13CH3]Sc1cncc(c1)OC(F)F 62a_200012029600_200025704644 [0,2,0,0,0,0|1,1,0]=4 7705 B12R1.438 [13CH3]Sc1cncc(c1)OC(F)F 62a_200025704644_200012029600 [0,2,0,0,0,0|1,1,0]=4 7706 B12R1.56 C=C(C)c1c[nH]c(=O)c(c1)OC 271570a_100000694244_100010125397 [0,2,0,0,0,0|2,0,0]=4 7707 B12R1.56 C=C(C)c1cc(c(cn1)C)OC 271570a_100000694244_100010067687 [0,2,0,0,0,0|2,0,0]=4 7708 B12R1.56 C=C(C)c1cc(c(cn1)F)OC 271570a_100000694244_200010136270 [0,2,0,0,0,0|2,0,0]=4 7709 B12R1.56 C=C(C)c1cc(c(cn1)N)OC 271570a_100000694244_100009887741 [0,2,0,0,0,0|2,0,0]=4 7710 B12R1.56 C=C(C)c1ccc(c(c1)CC)Br 271570a_100000694244_100010244631 [0,2,0,0,0,0|2,0,0]=4 7711 B12R1.56 C=C(C)c1ccc(c(c1)CC)F 271570a_100000694244_100010244625 [0,2,0,0,0,0|2,0,0]=4 7712 B12R1.56 C=C(C)c1ccc(c(c1)CC)N 271570a_100000694244_100000686106 [0,2,0,0,0,0|2,0,0]=4 7713 B12R1.56 C=C(C)c1ccc(c(c1)CC)O 271570a_100000694244_100012338938 [0,2,0,0,0,0|2,0,0]=4 7714 B12R1.56 C=C(C)c1ccc(c(c1)NC)C 271570a_100000694244_100020629602 [0,2,0,0,0,0|2,0,0]=4 7715 B12R1.56 C=C(C)c1ccc(c(c1)NC)F 271570a_100000694244_100011314990 [0,2,0,0,0,0|2,0,0]=4 7716 B12R1.56 C=C(C)c1ccc(c(c1)NC)N 271570a_100000694244_100000694363 [0,2,0,0,0,0|2,0,0]=4 7717 B12R1.56 C=C(C)c1ccc(c(c1)OC)Br 271570a_100000694244_100012353699 [0,2,0,0,0,0|1,0,0]=3 7718 B12R1.56 C=C(C)c1ccc(c(c1)OC)C 271570a_100000694244_100011830276 [0,2,0,0,0,0|1,0,0]=3 7719 B12R1.56 C=C(C)c1ccc(c(c1)OC)Cl 271570a_100000694244_100011356853 [0,2,0,0,0,0|1,0,0]=3 7720 B12R1.56 C=C(C)c1ccc(c(c1)OC)F 271570a_100000694244_100011934186 [0,2,0,0,0,0|1,0,0]=3 7721 B12R1.56 C=C(C)c1ccc(c(c1)OC)N 271570a_100000694244_100011279103 [0,2,0,0,0,0|1,0,0]=3 7722 B12R1.56 C=C(C)c1ccc(c(c1)OC)O 271570a_100000694244_100000694246 [0,2,0,0,0,0|1,0,0]=3 7723 B12R1.56 C=C(C)c1ccc(c(c1)SC)F 271570a_100000694244_100010341305 [0,2,0,0,0,0|1,1,0]=4 7724 B12R1.56 C=C(C)c1ccc(c(n1)OC)N 271570a_100000694244_100000687816 [0,2,0,0,0,0|2,0,0]=4 7725 B12R1.56 C=C(C)c1ccc(c(n1)OC)O 271570a_100000694244_100010893133 [0,2,0,0,0,0|2,0,0]=4 7726 B12R1.56 C=C(C)c1cnc(c(c1)OC)C 271570a_100000694244_100010254219 [0,2,0,0,0,0|2,0,0]=4 7727 B12R1.56 C=C(C)c1cnc(c(c1)OC)F 271570a_100000694244_100010214931 [0,2,0,0,0,0|2,0,0]=4 7728 B12R1.56 C=C(C)c1cnc(c(c1)OC)N 271570a_100000694244_106354213024 [0,2,0,0,0,0|2,0,0]=4 7729 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])C 34a_100000084092_200025704644 [0,2,0,0,0,0|1,0,0]=3 7730 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])C 7a_100000084092_200025704644 [0,2,0,0,0,0|1,0,0]=3 7731 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])F 34a_100000117923_200025704644 [0,2,0,0,0,0|1,0,0]=3 7732 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])F 7a_100000117923_200025704644 [0,2,0,0,0,0|1,0,0]=3 7733 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])Br 62a_100010146556_200025704644 [0,2,0,0,0,0|1,1,0]=4 7734 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])Br 62a_200025704644_100010146556 [0,2,0,0,0,0|1,1,0]=4 7735 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])C 62a_100011934287_200025704644 [0,2,0,0,0,0|1,1,0]=4 7736 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])C 62a_200025704644_100011934287 [0,2,0,0,0,0|1,1,0]=4 7737 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])F 62a_100000239719_200025704644 [0,2,0,0,0,0|1,1,0]=4 7738 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])F 62a_200025704644_100000239719 [0,2,0,0,0,0|1,1,0]=4 7739 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])N 62a_100012029215_200025704644 [0,2,0,0,0,0|1,1,0]=4 7740 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])O 62a_100011772453_200025704644 [0,2,0,0,0,0|1,1,0]=4 7741 B12R1.56 CC(C)c1ccc(c(c1)N[13CH3])O 34a_200000187366_200025704644 [0,2,0,0,0,0|2,0,0]=4 7742 B12R1.56 CC(C)c1ccc(c(c1)N[13CH3])O 7a_200000187366_200025704644 [0,2,0,0,0,0|2,0,0]=4 7743 B12R1.56 CC(C)c1ccc(c(c1)S[13CH3])N 62a_100011218581_200025704644 [0,2,0,0,0,0|1,1,0]=4 7744 B12R1.56 CC(C)c1ccc(c(c1)S[13CH3])N 62a_200025704644_100011218581 [0,2,0,0,0,0|1,1,0]=4 7745 B12R1.56 CC(O)c1ccc(c(c1)S[13CH3])F 62a_100011191524_200025704644 [0,2,0,0,0,0|1,1,0]=4 7746 B12R1.56 CC(O)c1ccc(c(c1)S[13CH3])F 62a_200025704644_100011191524 [0,2,0,0,0,0|1,1,0]=4 7747 B12R1.56 CCc1cc(ccc1Br)C(=O)C 1458a_100010152358_200000210301 [0,2,0,0,0,0|2,0,0]=4 7748 B12R1.56 CCc1cc(ccc1Br)C(=O)[13CH3] 1458a_100010152358_200025704644 [0,2,0,0,0,0|2,0,0]=4 7749 B12R1.56 CCc1cc(ccc1Cl)C(=O)C 1458a_100000102533_200000210301 [0,2,0,0,0,0|2,0,0]=4 7750 B12R1.56 CCc1cc(ccc1Cl)C(=O)[13CH3] 1458a_100000102533_200025704644 [0,2,0,0,0,0|2,0,0]=4 7751 B12R1.56 CCc1cc(ccc1F)C(=O)C 1458a_100009883079_200000210301 [0,2,0,0,0,0|2,0,0]=4 7752 B12R1.56 CCc1cc(ccc1F)C(=O)[13CH3] 1458a_100009883079_200025704644 [0,2,0,0,0,0|2,0,0]=4 7753 B12R1.56 CN(C)c1ccc(c(c1)S[13CH3])N 62a_200013039233_200025704644 [0,2,0,0,0,0|1,1,0]=4 7754 B12R1.56 CN(C)c1ccc(c(c1)S[13CH3])N 62a_200025704644_200013039233 [0,2,0,0,0,0|1,1,0]=4 7755 B12R1.56 CNc1cc(ccc1C)C(C)C 2230a_100011216979_200000210301 [0,2,0,0,0,0|2,0,0]=4 7756 B12R1.56 CNc1cc(ccc1C)C(C)C 34a_100011216979_200000210301 [0,2,0,0,0,0|2,0,0]=4 7757 B12R1.56 CNc1cc(ccc1C)C(C)C 7a_100011216979_200000210301 [0,2,0,0,0,0|2,0,0]=4 7758 B12R1.56 CNc1cc(ccc1C)N(C)C 34a_100015186894_200000210301 [0,2,0,0,0,0|2,0,0]=4 7759 B12R1.56 CNc1cc(ccc1O)C(C)C 34a_200000187366_200000210301 [0,2,0,0,0,0|2,0,0]=4 7760 B12R1.56 CNc1cc(ccc1O)C(C)C 7a_200000187366_200000210301 [0,2,0,0,0,0|2,0,0]=4 7761 B12R1.56 COc1cc(ccc1Br)C(=O)C 1458a_100011934951_200000210301 [0,2,0,0,0,0|1,0,0]=3 7762 B12R1.56 COc1cc(ccc1Br)C(=O)N 34a_100012344895_200000210301 [0,2,0,0,0,0|2,0,0]=4 7763 B12R1.56 COc1cc(ccc1Br)C(=O)N 7a_100012344895_200000210301 [0,2,0,0,0,0|2,0,0]=4 7764 B12R1.56 COc1cc(ccc1Br)C(=O)[13CH3] 1458a_100011934951_200025704644 [0,2,0,0,0,0|1,0,0]=3 7765 B12R1.56 COc1cc(ccc1Br)[N+](=O)[O-] 34a_100000691124_200000210301 [0,2,0,0,0,0|2,0,0]=4 7766 B12R1.56 COc1cc(ccc1Br)[N+](=O)[O-] 7a_100000691124_200000210301 [0,2,0,0,0,0|2,0,0]=4 7767 B12R1.56 COc1cc(ccc1C)C(=O)C 1458a_100000212341_200000210301 [0,2,0,0,0,0|1,0,0]=3 7768 B12R1.56 COc1cc(ccc1C)C(=O)C 34a_100000084092_200000210301 [0,2,0,0,0,0|1,0,0]=3 7769 B12R1.56 COc1cc(ccc1C)C(=O)C 7a_100000084092_200000210301 [0,2,0,0,0,0|1,0,0]=3 7770 B12R1.56 COc1cc(ccc1C)C(=O)[13CH3] 1458a_100000212341_200025704644 [0,2,0,0,0,0|1,0,0]=3 7771 B12R1.56 COc1cc(ccc1C)C(C)C 34a_100000212073_200000210301 [0,2,0,0,0,0|1,0,0]=3 7772 B12R1.56 COc1cc(ccc1C)C(C)C 7a_100000212073_200000210301 [0,2,0,0,0,0|1,0,0]=3 7773 B12R1.56 COc1cc(ccc1C)[N+](=O)[O-] 34a_100000740739_200000210301 [0,2,0,0,0,0|2,0,0]=4 7774 B12R1.56 COc1cc(ccc1C)[N+](=O)[O-] 7a_100000740739_200000210301 [0,2,0,0,0,0|2,0,0]=4 7775 B12R1.56 COc1cc(ccc1Cl)C(=O)C 1458a_100000181799_200000210301 [0,2,0,0,0,0|1,0,0]=3 7776 B12R1.56 COc1cc(ccc1Cl)C(=O)[13CH3] 1458a_100000181799_200025704644 [0,2,0,0,0,0|1,0,0]=3 7777 B12R1.56 COc1cc(ccc1Cl)[N+](=O)[O-] 34a_100000188705_200000210301 [0,2,0,0,0,0|2,0,0]=4 7778 B12R1.56 COc1cc(ccc1Cl)[N+](=O)[O-] 7a_100000188705_200000210301 [0,2,0,0,0,0|2,0,0]=4 7779 B12R1.56 COc1cc(ccc1F)C(=O)C 1458a_100000757635_200000210301 [0,2,0,0,0,0|1,0,0]=3 7780 B12R1.56 COc1cc(ccc1F)C(=O)C 34a_100000117923_200000210301 [0,2,0,0,0,0|1,0,0]=3 7781 B12R1.56 COc1cc(ccc1F)C(=O)C 7a_100000117923_200000210301 [0,2,0,0,0,0|1,0,0]=3 7782 B12R1.56 COc1cc(ccc1F)C(=O)[13CH3] 1458a_100000757635_200025704644 [0,2,0,0,0,0|1,0,0]=3 7783 B12R1.56 COc1cc(ccc1F)N(C)C 2230a_200012002703_200000210301 [0,2,0,0,0,0|1,0,0]=3 7784 B12R1.56 COc1cc(ccc1F)N(C)C 269982a_200012002703_200000210301 [0,2,0,0,0,0|1,0,0]=3 7785 B12R1.56 COc1cc(ccc1F)N(C)C 34a_200012002703_200000210301 [0,2,0,0,0,0|1,0,0]=3 7786 B12R1.56 COc1cc(ccc1F)N(C)C 38a_200012002703_200000210301 [0,2,0,0,0,0|1,0,0]=3 7787 B12R1.56 COc1cc(ccc1F)N(C)[13CH3] 2230a_200012002703_200025704644 [0,2,0,0,0,0|1,0,0]=3 7788 B12R1.56 COc1cc(ccc1F)N(C)[13CH3] 269982a_200012002703_200025704644 [0,2,0,0,0,0|1,0,0]=3 7789 B12R1.56 COc1cc(ccc1F)N(C)[13CH3] 34a_200012002703_200025704644 [0,2,0,0,0,0|1,0,0]=3 7790 B12R1.56 COc1cc(ccc1F)N(C)[13CH3] 38a_200012002703_200025704644 [0,2,0,0,0,0|1,0,0]=3 7791 B12R1.56 COc1cc(ccc1F)[N+](=O)[O-] 34a_100011294461_200000210301 [0,2,0,0,0,0|2,0,0]=4 7792 B12R1.56 COc1cc(ccc1F)[N+](=O)[O-] 7a_100011294461_200000210301 [0,2,0,0,0,0|2,0,0]=4 7793 B12R1.56 COc1cc(ccc1I)C(=O)C 1458a_100012356290_200000210301 [0,2,0,0,0,0|1,0,0]=3 7794 B12R1.56 COc1cc(ccc1I)C(=O)[13CH3] 1458a_100012356290_200025704644 [0,2,0,0,0,0|1,0,0]=3 7795 B12R1.56 COc1cc(ccc1I)[N+](=O)[O-] 34a_100000072739_200000210301 [0,2,0,0,0,0|2,0,0]=4 7796 B12R1.56 COc1cc(ccc1I)[N+](=O)[O-] 7a_100000072739_200000210301 [0,2,0,0,0,0|2,0,0]=4 7797 B12R1.56 COc1cc(ccc1N)C(=O)N 34a_100011850428_200000210301 [0,2,0,0,0,0|2,0,0]=4 7798 B12R1.56 COc1cc(ccc1N)C(=O)N 7a_100011850428_200000210301 [0,2,0,0,0,0|2,0,0]=4 7799 B12R1.56 COc1cc(ccc1N)[N+](=O)[O-] 34a_100000210499_200000210301 [0,2,0,0,0,0|2,0,0]=4 7800 B12R1.56 COc1cc(ccc1N)[N+](=O)[O-] 7a_100000210499_200000210301 [0,2,0,0,0,0|2,0,0]=4 7801 B12R1.56 COc1cc(ccc1O)B(O)O 271570a_203496583355_100012355544 [0,2,0,0,0,0|2,0,0]=4 7802 B12R1.56 COc1cc(ccc1O)C(=O)C 1458a_100000687070_200000210301 [0,2,0,0,0,0|1,0,0]=3 7803 B12R1.56 COc1cc(ccc1O)C(=O)C 271570a_203496583355_100010110075 [0,2,0,0,0,0|1,0,0]=3 7804 B12R1.56 COc1cc(ccc1O)C(=O)N 271570a_203496583355_100009817049 [0,2,0,0,0,0|2,0,0]=4 7805 B12R1.56 COc1cc(ccc1O)C(=O)[13CH3] 1458a_100000687070_200025704644 [0,2,0,0,0,0|1,0,0]=3 7806 B12R1.56 COc1cc(ccc1O)C(C)C 271570a_203496583355_100021623167 [0,2,0,0,0,0|1,0,0]=3 7807 B12R1.56 CSc1cc(ccc1Br)C(=O)C 62a_100010146556_200000210301 [0,2,0,0,0,0|1,1,0]=4 7808 B12R1.56 CSc1cc(ccc1Br)C(=O)C 62a_200000210301_100010146556 [0,2,0,0,0,0|1,1,0]=4 7809 B12R1.56 CSc1cc(ccc1C)C(=O)C 62a_100011934287_200000210301 [0,2,0,0,0,0|1,1,0]=4 7810 B12R1.56 CSc1cc(ccc1C)C(=O)C 62a_200000210301_100011934287 [0,2,0,0,0,0|1,1,0]=4 7811 B12R1.56 CSc1cc(ccc1F)C(=O)C 62a_100000239719_200000210301 [0,2,0,0,0,0|1,1,0]=4 7812 B12R1.56 CSc1cc(ccc1F)C(=O)C 62a_200000210301_100000239719 [0,2,0,0,0,0|1,1,0]=4 7813 B12R1.56 CSc1cc(ccc1F)C(C)O 62a_100011191524_200000210301 [0,2,0,0,0,0|1,1,0]=4 7814 B12R1.56 CSc1cc(ccc1F)C(C)O 62a_200000210301_100011191524 [0,2,0,0,0,0|1,1,0]=4 7815 B12R1.56 CSc1cc(ccc1F)[C@H](C)N 62a_100000753309_200000210301 [0,2,0,0,0,0|1,1,0]=4 7816 B12R1.56 CSc1cc(ccc1F)[C@H](C)N 62a_200000210301_100000753309 [0,2,0,0,0,0|1,1,0]=4 7817 B12R1.56 CSc1cc(ccc1N)C(=O)C 62a_100012029215_200000210301 [0,2,0,0,0,0|1,1,0]=4 7818 B12R1.56 CSc1cc(ccc1N)C(C)C 62a_100011218581_200000210301 [0,2,0,0,0,0|1,1,0]=4 7819 B12R1.56 CSc1cc(ccc1N)C(C)C 62a_200000210301_100011218581 [0,2,0,0,0,0|1,1,0]=4 7820 B12R1.56 CSc1cc(ccc1N)N(C)C 62a_200000210301_200013039233 [0,2,0,0,0,0|1,1,0]=4 7821 B12R1.56 CSc1cc(ccc1N)N(C)C 62a_200013039233_200000210301 [0,2,0,0,0,0|1,1,0]=4 7822 B12R1.56 CSc1cc(ccc1O)C(=O)C 62a_100011772453_200000210301 [0,2,0,0,0,0|1,1,0]=4 7823 B12R1.56 C[C@H](N)c1ccc(c(c1)S[13CH3])F 62a_100000753309_200025704644 [0,2,0,0,0,0|1,1,0]=4 7824 B12R1.56 C[C@H](N)c1ccc(c(c1)S[13CH3])F 62a_200025704644_100000753309 [0,2,0,0,0,0|1,1,0]=4 7825 B12R1.56 Cc1ccc(cc1N[13CH3])C(C)C 2230a_100011216979_200025704644 [0,2,0,0,0,0|2,0,0]=4 7826 B12R1.56 Cc1ccc(cc1N[13CH3])C(C)C 34a_100011216979_200025704644 [0,2,0,0,0,0|2,0,0]=4 7827 B12R1.56 Cc1ccc(cc1N[13CH3])C(C)C 7a_100011216979_200025704644 [0,2,0,0,0,0|2,0,0]=4 7828 B12R1.56 Cc1ccc(cc1N[13CH3])N(C)C 34a_100015186894_200025704644 [0,2,0,0,0,0|2,0,0]=4 7829 B12R1.56 Cc1ccc(cc1O[13CH3])C(C)C 34a_100000212073_200025704644 [0,2,0,0,0,0|1,0,0]=3 7830 B12R1.56 Cc1ccc(cc1O[13CH3])C(C)C 7a_100000212073_200025704644 [0,2,0,0,0,0|1,0,0]=3 7831 B12R1.56 Cc1ccc(cc1O[13CH3])[N+](=O)[O-] 34a_100000740739_200025704644 [0,2,0,0,0,0|2,0,0]=4 7832 B12R1.56 Cc1ccc(cc1O[13CH3])[N+](=O)[O-] 7a_100000740739_200025704644 [0,2,0,0,0,0|2,0,0]=4 7833 B12R1.56 [13CH3]Oc1cc(ccc1Br)C(=O)N 34a_100012344895_200025704644 [0,2,0,0,0,0|2,0,0]=4 7834 B12R1.56 [13CH3]Oc1cc(ccc1Br)C(=O)N 7a_100012344895_200025704644 [0,2,0,0,0,0|2,0,0]=4 7835 B12R1.56 [13CH3]Oc1cc(ccc1Br)[N+](=O)[O-] 34a_100000691124_200025704644 [0,2,0,0,0,0|2,0,0]=4 7836 B12R1.56 [13CH3]Oc1cc(ccc1Br)[N+](=O)[O-] 7a_100000691124_200025704644 [0,2,0,0,0,0|2,0,0]=4 7837 B12R1.56 [13CH3]Oc1cc(ccc1Cl)[N+](=O)[O-] 34a_100000188705_200025704644 [0,2,0,0,0,0|2,0,0]=4 7838 B12R1.56 [13CH3]Oc1cc(ccc1Cl)[N+](=O)[O-] 7a_100000188705_200025704644 [0,2,0,0,0,0|2,0,0]=4 7839 B12R1.56 [13CH3]Oc1cc(ccc1F)[N+](=O)[O-] 34a_100011294461_200025704644 [0,2,0,0,0,0|2,0,0]=4 7840 B12R1.56 [13CH3]Oc1cc(ccc1F)[N+](=O)[O-] 7a_100011294461_200025704644 [0,2,0,0,0,0|2,0,0]=4 7841 B12R1.56 [13CH3]Oc1cc(ccc1I)[N+](=O)[O-] 34a_100000072739_200025704644 [0,2,0,0,0,0|2,0,0]=4 7842 B12R1.56 [13CH3]Oc1cc(ccc1I)[N+](=O)[O-] 7a_100000072739_200025704644 [0,2,0,0,0,0|2,0,0]=4 7843 B12R1.56 [13CH3]Oc1cc(ccc1N)C(=O)N 34a_100011850428_200025704644 [0,2,0,0,0,0|2,0,0]=4 7844 B12R1.56 [13CH3]Oc1cc(ccc1N)C(=O)N 7a_100011850428_200025704644 [0,2,0,0,0,0|2,0,0]=4 7845 B12R1.56 [13CH3]Oc1cc(ccc1N)[N+](=O)[O-] 34a_100000210499_200025704644 [0,2,0,0,0,0|2,0,0]=4 7846 B12R1.56 [13CH3]Oc1cc(ccc1N)[N+](=O)[O-] 7a_100000210499_200025704644 [0,2,0,0,0,0|2,0,0]=4 7847 B12R1.258 C=C(C)c1cccc(c1)C(=C)C 271570a_100000694244_100012123953 [0,2,0,0,0,0|2,0,0]=4 7848 B12R1.258 C=C(C)c1cccc(c1)C(=O)C 271570a_100000694244_100000210093 [0,2,0,0,0,0|2,0,0]=4 7849 B12R1.258 C=C(C)c1cccc(c1)C(C)C 271570a_100000694244_100011214899 [0,2,0,0,0,0|2,0,0]=4 7850 B12R1.258 C=C(C)c1cccc(c1)C(C)N 271570a_100000694244_100020642005 [0,2,0,0,0,0|2,0,0]=4 7851 B12R1.258 C=C(C)c1cccc(c1)C(C)O 271570a_100000694244_100000246457 [0,2,0,0,0,0|2,0,0]=4 7852 B12R1.258 C=C(C)c1cccc(c1)N(C)C 271570a_100000694244_100011215952 [0,2,0,0,0,0|2,0,0]=4 7853 B12R1.258 C=C(C)c1cccc(c1)S(=O)C 271570a_100000694244_100009816267 [0,2,0,0,0,0|1,1,0]=4 7854 B12R1.258 CC(=O)c1cccc(c1)C(C)C 1458a_100011934808_200000210301 [0,2,0,0,0,0|2,0,0]=4 7855 B12R1.258 CC(=O)c1cccc(c1)C(C)O 1458a_100000090953_200000210301 [0,2,0,0,0,0|2,0,0]=4 7856 B12R1.258 CC(=O)c1cccc(c1)N(C)C 1458a_100000210872_200000210301 [0,2,0,0,0,0|2,0,0]=4 7857 B12R1.258 CC(C)c1cccc(c1)C(=O)[13CH3] 1458a_100011934808_200025704644 [0,2,0,0,0,0|2,0,0]=4 7858 B12R1.258 CC(O)c1cccc(c1)C(=O)[13CH3] 1458a_100000090953_200025704644 [0,2,0,0,0,0|2,0,0]=4 7859 B12R1.258 CN(C)c1cccc(c1)C(=O)[13CH3] 1458a_100000210872_200025704644 [0,2,0,0,0,0|2,0,0]=4 7860 B12R1.436 CC(C)(C)c1cccc(c1)N[13CH3] 2230a_100000035496_200025704644 [0,2,0,0,0,0|2,0,0]=4 7861 B12R1.436 CC(C)(C)c1cccc(c1)N[13CH3] 34a_100000035496_200025704644 [0,2,0,0,0,0|2,0,0]=4 7862 B12R1.436 CC(C)(C)c1cccc(c1)N[13CH3] 7a_100000035496_200025704644 [0,2,0,0,0,0|2,0,0]=4 7863 B12R1.436 CC(C)(C)c1cccc(c1)O[13CH3] 34a_100000211624_200025704644 [0,2,0,0,0,0|1,0,0]=3 7864 B12R1.436 CC(C)(C)c1cccc(c1)O[13CH3] 7a_100000211624_200025704644 [0,2,0,0,0,0|1,0,0]=3 7865 B12R1.436 CC(C)(C)c1cccc(c1)S[13CH3] 62a_100009816526_200025704644 [0,2,0,0,0,0|1,1,0]=4 7866 B12R1.436 CC(C)(C)c1cccc(c1)S[13CH3] 62a_200025704644_100009816526 [0,2,0,0,0,0|1,1,0]=4 7867 B12R1.436 CC(C)(N)c1cccc(c1)S[13CH3] 62a_100016995529_200025704644 [0,2,0,0,0,0|1,1,0]=4 7868 B12R1.436 CC(C)(N)c1cccc(c1)S[13CH3] 62a_200025704644_100016995529 [0,2,0,0,0,0|1,1,0]=4 7869 B12R1.436 CC(C)(O)c1cccc(c1)O[13CH3] 34a_200000085863_200025704644 [0,2,0,0,0,0|1,0,0]=3 7870 B12R1.436 CC(C)(O)c1cccc(c1)O[13CH3] 7a_200000085863_200025704644 [0,2,0,0,0,0|1,0,0]=3 7871 B12R1.436 CC(C)(O)c1cccc(c1)S[13CH3] 62a_100011346009_200025704644 [0,2,0,0,0,0|1,1,0]=4 7872 B12R1.436 CC(C)(O)c1cccc(c1)S[13CH3] 62a_200025704644_100011346009 [0,2,0,0,0,0|1,1,0]=4 7873 B12R1.436 CC(F)(F)c1cccc(c1)N[13CH3] 34a_100000709193_200025704644 [0,2,0,0,0,0|2,0,0]=4 7874 B12R1.436 CC(F)(F)c1cccc(c1)N[13CH3] 7a_100000709193_200025704644 [0,2,0,0,0,0|2,0,0]=4 7875 B12R1.436 CC(F)(F)c1cccc(c1)S[13CH3] 62a_100010232180_200025704644 [0,2,0,0,0,0|1,1,0]=4 7876 B12R1.436 CC(F)(F)c1cccc(c1)S[13CH3] 62a_200025704644_100010232180 [0,2,0,0,0,0|1,1,0]=4 7877 B12R1.436 CNc1cccc(c1)C(C)(C)C 2230a_100000035496_200000210301 [0,2,0,0,0,0|2,0,0]=4 7878 B12R1.436 CNc1cccc(c1)C(C)(C)C 34a_100000035496_200000210301 [0,2,0,0,0,0|2,0,0]=4 7879 B12R1.436 CNc1cccc(c1)C(C)(C)C 7a_100000035496_200000210301 [0,2,0,0,0,0|2,0,0]=4 7880 B12R1.436 CNc1cccc(c1)C(C)(F)F 34a_100000709193_200000210301 [0,2,0,0,0,0|2,0,0]=4 7881 B12R1.436 CNc1cccc(c1)C(C)(F)F 7a_100000709193_200000210301 [0,2,0,0,0,0|2,0,0]=4 7882 B12R1.436 CNc1cccc(c1)S(=O)(=O)C 34a_100000209861_200000210301 [0,2,0,0,0,0|1,1,0]=4 7883 B12R1.436 CNc1cccc(c1)S(=O)(=O)C 7a_100000209861_200000210301 [0,2,0,0,0,0|1,1,0]=4 7884 B12R1.436 COc1cccc(c1)C(C)(C)C 34a_100000211624_200000210301 [0,2,0,0,0,0|1,0,0]=3 7885 B12R1.436 COc1cccc(c1)C(C)(C)C 7a_100000211624_200000210301 [0,2,0,0,0,0|1,0,0]=3 7886 B12R1.436 COc1cccc(c1)C(C)(C)O 34a_200000085863_200000210301 [0,2,0,0,0,0|1,0,0]=3 7887 B12R1.436 COc1cccc(c1)C(C)(C)O 7a_200000085863_200000210301 [0,2,0,0,0,0|1,0,0]=3 7888 B12R1.436 COc1cccc(c1)C(F)(F)F 34a_100000210832_200000210301 [0,2,0,0,0,0|2,0,0]=4 7889 B12R1.436 COc1cccc(c1)C(F)(F)F 7a_100000210832_200000210301 [0,2,0,0,0,0|2,0,0]=4 7890 B12R1.436 COc1cccc(c1)S(=O)(=O)[O-] 7a_100000116945_200000210301 [0,2,0,0,0,0|1,1,0]=4 7891 B12R1.436 CS(=O)(=O)c1cccc(c1)N[13CH3] 34a_100000209861_200025704644 [0,2,0,0,0,0|1,1,0]=4 7892 B12R1.436 CS(=O)(=O)c1cccc(c1)N[13CH3] 7a_100000209861_200025704644 [0,2,0,0,0,0|1,1,0]=4 7893 B12R1.436 CS(=O)(=O)c1cccc(c1)S[13CH3] 62a_100009815773_200025704644 [0,2,0,0,0,0|0,2,0]=4 7894 B12R1.436 CS(=O)(=O)c1cccc(c1)S[13CH3] 62a_200025704644_100009815773 [0,2,0,0,0,0|0,2,0]=4 7895 B12R1.436 CSc1cccc(c1)C(C)(C)C 62a_100009816526_200000210301 [0,2,0,0,0,0|1,1,0]=4 7896 B12R1.436 CSc1cccc(c1)C(C)(C)C 62a_200000210301_100009816526 [0,2,0,0,0,0|1,1,0]=4 7897 B12R1.436 CSc1cccc(c1)C(C)(C)N 62a_100016995529_200000210301 [0,2,0,0,0,0|1,1,0]=4 7898 B12R1.436 CSc1cccc(c1)C(C)(C)N 62a_200000210301_100016995529 [0,2,0,0,0,0|1,1,0]=4 7899 B12R1.436 CSc1cccc(c1)C(C)(C)O 62a_100011346009_200000210301 [0,2,0,0,0,0|1,1,0]=4 7900 B12R1.436 CSc1cccc(c1)C(C)(C)O 62a_200000210301_100011346009 [0,2,0,0,0,0|1,1,0]=4 7901 B12R1.436 CSc1cccc(c1)C(C)(F)F 62a_100010232180_200000210301 [0,2,0,0,0,0|1,1,0]=4 7902 B12R1.436 CSc1cccc(c1)C(C)(F)F 62a_200000210301_100010232180 [0,2,0,0,0,0|1,1,0]=4 7903 B12R1.436 CSc1cccc(c1)S(=O)(=O)C 62a_100009815773_200000210301 [0,2,0,0,0,0|0,2,0]=4 7904 B12R1.436 CSc1cccc(c1)S(=O)(=O)C 62a_200000210301_100009815773 [0,2,0,0,0,0|0,2,0]=4 7905 B12R1.436 CSc1cccc(c1)[Si](C)(C)C 62a_100009816414_200000210301 [0,2,0,0,0,0|1,1,0]=4 7906 B12R1.436 CSc1cccc(c1)[Si](C)(C)C 62a_200000210301_100009816414 [0,2,0,0,0,0|1,1,0]=4 7907 B12R1.436 C[Si](C)(C)c1cccc(c1)S[13CH3] 62a_100009816414_200025704644 [0,2,0,0,0,0|1,1,0]=4 7908 B12R1.436 C[Si](C)(C)c1cccc(c1)S[13CH3] 62a_200025704644_100009816414 [0,2,0,0,0,0|1,1,0]=4 7909 B12R1.436 [13CH3]Oc1cccc(c1)C(F)(F)F 34a_100000210832_200025704644 [0,2,0,0,0,0|2,0,0]=4 7910 B12R1.436 [13CH3]Oc1cccc(c1)C(F)(F)F 7a_100000210832_200025704644 [0,2,0,0,0,0|2,0,0]=4 7911 B12R1.436 [13CH3]Oc1cccc(c1)S(=O)(=O)[O-] 7a_100000116945_200025704644 [0,2,0,0,0,0|1,1,0]=4 7912 B12R1.440 C=C(C)c1cccc(c1C)OC 271570a_100000694244_100010002647 [0,2,0,0,0,0|1,0,0]=3 7913 B12R1.440 C=C(C)c1cccc(c1Cl)OC 271570a_100000694244_100010147677 [0,2,0,0,0,0|1,0,0]=3 7914 B12R1.440 C=C(C)c1cccc(c1F)OC 271570a_100000694244_100010185846 [0,2,0,0,0,0|1,0,0]=3 7915 B12R1.440 C=C(C)c1cccc(c1N)NC 271570a_100000694244_100000695761 [0,2,0,0,0,0|2,0,0]=4 7916 B12R1.440 C=C(C)c1cccc(c1N)OC 271570a_100000694244_100000708083 [0,2,0,0,0,0|1,0,0]=3 7917 B12R1.440 C=C(C)c1cccc(c1O)CC 271570a_100000694244_200010001580 [0,2,0,0,0,0|2,0,0]=4 7918 B12R1.440 C=C(C)c1cccc(c1O)OC 271570a_100000694244_100000686866 [0,2,0,0,0,0|1,0,0]=3 7919 B12R1.440 C=C(C)c1ccnc(c1C)OC 271570a_100000694244_100010068544 [0,2,0,0,0,0|2,0,0]=4 7920 B12R1.440 C=C(C)c1ccnc(c1F)OC 271570a_100000694244_100009885657 [0,2,0,0,0,0|2,0,0]=4 7921 B12R1.440 C=C(C)c1cncc(c1C)OC 271570a_100000694244_100010136163 [0,2,0,0,0,0|2,0,0]=4 7922 B12R1.440 C=C(C)c1nccc(c1C)OC 271570a_100000694244_100010067686 [0,2,0,0,0,0|2,0,0]=4 7923 B12R1.440 C=C(C)c1nccc(c1F)OC 271570a_100000694244_200010136267 [0,2,0,0,0,0|2,0,0]=4 7924 B12R1.440 C=C(C)c1nccc(c1N)OC 271570a_100000694244_100000100113 [0,2,0,0,0,0|2,0,0]=4 7925 B12R1.440 CC(=O)c1cccc(c1C)O[13CH3] 34a_200009877264_200025704644 [0,2,0,0,0,0|1,0,0]=3 7926 B12R1.440 CC(=O)c1cccc(c1C)O[13CH3] 7a_200009877264_200025704644 [0,2,0,0,0,0|1,0,0]=3 7927 B12R1.440 CC(=O)c1cccc(c1C)S[13CH3] 62a_100012706834_200025704644 [0,2,0,0,0,0|1,1,0]=4 7928 B12R1.440 CC(=O)c1cccc(c1C)S[13CH3] 62a_200025704644_100012706834 [0,2,0,0,0,0|1,1,0]=4 7929 B12R1.440 CC(=O)c1cccc(c1F)O[13CH3] 34a_100009856408_200025704644 [0,2,0,0,0,0|1,0,0]=3 7930 B12R1.440 CC(=O)c1cccc(c1F)O[13CH3] 7a_100009856408_200025704644 [0,2,0,0,0,0|1,0,0]=3 7931 B12R1.440 CC(=O)c1cccc(c1F)S[13CH3] 62a_100012355707_200025704644 [0,2,0,0,0,0|1,1,0]=4 7932 B12R1.440 CC(=O)c1cccc(c1F)S[13CH3] 62a_200025704644_100012355707 [0,2,0,0,0,0|1,1,0]=4 7933 B12R1.440 CC(=O)c1cccc(c1N)O[13CH3] 7a_100000036053_200025704644 [0,2,0,0,0,0|1,0,0]=3 7934 B12R1.440 CC(C)c1cccc(c1F)N[13CH3] 34a_100021981578_200025704644 [0,2,0,0,0,0|2,0,0]=4 7935 B12R1.440 CC(C)c1cccc(c1F)N[13CH3] 7a_100021981578_200025704644 [0,2,0,0,0,0|2,0,0]=4 7936 B12R1.440 CC(C)c1cccc(c1N)S[13CH3] 62a_100010571509_200025704644 [0,2,0,0,0,0|1,1,0]=4 7937 B12R1.440 CC(C)c1cccc(c1N)S[13CH3] 62a_200025704644_100010571509 [0,2,0,0,0,0|1,1,0]=4 7938 B12R1.440 CC(O)c1cccc(c1F)S[13CH3] 62a_200012356376_200025704644 [0,2,0,0,0,0|1,1,0]=4 7939 B12R1.440 CC(O)c1cccc(c1F)S[13CH3] 62a_200025704644_200012356376 [0,2,0,0,0,0|1,1,0]=4 7940 B12R1.440 CNc1cccc(c1F)C(C)C 34a_100021981578_200000210301 [0,2,0,0,0,0|2,0,0]=4 7941 B12R1.440 CNc1cccc(c1F)C(C)C 7a_100021981578_200000210301 [0,2,0,0,0,0|2,0,0]=4 7942 B12R1.440 COc1cccc(c1Br)C(=O)C 1458a_100010245468_200000210301 [0,2,0,0,0,0|1,0,0]=3 7943 B12R1.440 COc1cccc(c1Br)C(=O)[13CH3] 1458a_100010245468_200025704644 [0,2,0,0,0,0|1,0,0]=3 7944 B12R1.440 COc1cccc(c1Br)[N+](=O)[O-] 34a_100010197803_200000210301 [0,2,0,0,0,0|2,0,0]=4 7945 B12R1.440 COc1cccc(c1Br)[N+](=O)[O-] 7a_100010197803_200000210301 [0,2,0,0,0,0|2,0,0]=4 7946 B12R1.440 COc1cccc(c1C)C(=O)C 1458a_100011217801_200000210301 [0,2,0,0,0,0|1,0,0]=3 7947 B12R1.440 COc1cccc(c1C)C(=O)C 34a_200009877264_200000210301 [0,2,0,0,0,0|1,0,0]=3 7948 B12R1.440 COc1cccc(c1C)C(=O)C 7a_200009877264_200000210301 [0,2,0,0,0,0|1,0,0]=3 7949 B12R1.440 COc1cccc(c1C)C(=O)[13CH3] 1458a_100011217801_200025704644 [0,2,0,0,0,0|1,0,0]=3 7950 B12R1.440 COc1cccc(c1C)[N+](=O)[O-] 34a_100000740326_200000210301 [0,2,0,0,0,0|2,0,0]=4 7951 B12R1.440 COc1cccc(c1C)[N+](=O)[O-] 7a_100000740326_200000210301 [0,2,0,0,0,0|2,0,0]=4 7952 B12R1.440 COc1cccc(c1Cl)C(=O)C 1458a_100000068443_200000210301 [0,2,0,0,0,0|1,0,0]=3 7953 B12R1.440 COc1cccc(c1Cl)C(=O)[13CH3] 1458a_100000068443_200025704644 [0,2,0,0,0,0|1,0,0]=3 7954 B12R1.440 COc1cccc(c1Cl)[N+](=O)[O-] 34a_100012001863_200000210301 [0,2,0,0,0,0|2,0,0]=4 7955 B12R1.440 COc1cccc(c1Cl)[N+](=O)[O-] 7a_100012001863_200000210301 [0,2,0,0,0,0|2,0,0]=4 7956 B12R1.440 COc1cccc(c1F)C(=O)C 1458a_100000766180_200000210301 [0,2,0,0,0,0|1,0,0]=3 7957 B12R1.440 COc1cccc(c1F)C(=O)C 34a_100009856408_200000210301 [0,2,0,0,0,0|1,0,0]=3 7958 B12R1.440 COc1cccc(c1F)C(=O)C 7a_100009856408_200000210301 [0,2,0,0,0,0|1,0,0]=3 7959 B12R1.440 COc1cccc(c1F)C(=O)N 34a_100009841371_200000210301 [0,2,0,0,0,0|2,0,0]=4 7960 B12R1.440 COc1cccc(c1F)C(=O)N 7a_100009841371_200000210301 [0,2,0,0,0,0|2,0,0]=4 7961 B12R1.440 COc1cccc(c1F)C(=O)[13CH3] 1458a_100000766180_200025704644 [0,2,0,0,0,0|1,0,0]=3 7962 B12R1.440 COc1cccc(c1F)[N+](=O)[O-] 34a_100000100933_200000210301 [0,2,0,0,0,0|2,0,0]=4 7963 B12R1.440 COc1cccc(c1F)[N+](=O)[O-] 7a_100000100933_200000210301 [0,2,0,0,0,0|2,0,0]=4 7964 B12R1.440 COc1cccc(c1I)C(=O)C 1458a_100010075502_200000210301 [0,2,0,0,0,0|1,0,0]=3 7965 B12R1.440 COc1cccc(c1I)C(=O)[13CH3] 1458a_100010075502_200025704644 [0,2,0,0,0,0|1,0,0]=3 7966 B12R1.440 COc1cccc(c1I)[N+](=O)[O-] 7a_100010176071_200000210301 [0,2,0,0,0,0|2,0,0]=4 7967 B12R1.440 COc1cccc(c1N)C(=O)C 7a_100000036053_200000210301 [0,2,0,0,0,0|1,0,0]=3 7968 B12R1.440 COc1cccc(c1N)[N+](=O)[O-] 7a_100000739591_200000210301 [0,2,0,0,0,0|2,0,0]=4 7969 B12R1.440 COc1cccc(c1O)C(=O)C 1458a_100000212136_200000210301 [0,2,0,0,0,0|1,0,0]=3 7970 B12R1.440 COc1cccc(c1O)C(=O)[13CH3] 1458a_100000212136_200025704644 [0,2,0,0,0,0|1,0,0]=3 7971 B12R1.440 CSc1cccc(c1C)C(=O)C 62a_100012706834_200000210301 [0,2,0,0,0,0|1,1,0]=4 7972 B12R1.440 CSc1cccc(c1C)C(=O)C 62a_200000210301_100012706834 [0,2,0,0,0,0|1,1,0]=4 7973 B12R1.440 CSc1cccc(c1F)C(=O)C 62a_100012355707_200000210301 [0,2,0,0,0,0|1,1,0]=4 7974 B12R1.440 CSc1cccc(c1F)C(=O)C 62a_200000210301_100012355707 [0,2,0,0,0,0|1,1,0]=4 7975 B12R1.440 CSc1cccc(c1F)C(C)O 62a_200000210301_200012356376 [0,2,0,0,0,0|1,1,0]=4 7976 B12R1.440 CSc1cccc(c1F)C(C)O 62a_200012356376_200000210301 [0,2,0,0,0,0|1,1,0]=4 7977 B12R1.440 CSc1cccc(c1N)C(C)C 62a_100010571509_200000210301 [0,2,0,0,0,0|1,1,0]=4 7978 B12R1.440 CSc1cccc(c1N)C(C)C 62a_200000210301_100010571509 [0,2,0,0,0,0|1,1,0]=4 7979 B12R1.440 Cc1c(cccc1[N+](=O)[O-])O[13CH3] 34a_100000740326_200025704644 [0,2,0,0,0,0|2,0,0]=4 7980 B12R1.440 Cc1c(cccc1[N+](=O)[O-])O[13CH3] 7a_100000740326_200025704644 [0,2,0,0,0,0|2,0,0]=4 7981 B12R1.440 [13CH3]Oc1cccc(c1Br)[N+](=O)[O-] 34a_100010197803_200025704644 [0,2,0,0,0,0|2,0,0]=4 7982 B12R1.440 [13CH3]Oc1cccc(c1Br)[N+](=O)[O-] 7a_100010197803_200025704644 [0,2,0,0,0,0|2,0,0]=4 7983 B12R1.440 [13CH3]Oc1cccc(c1Cl)[N+](=O)[O-] 34a_100012001863_200025704644 [0,2,0,0,0,0|2,0,0]=4 7984 B12R1.440 [13CH3]Oc1cccc(c1Cl)[N+](=O)[O-] 7a_100012001863_200025704644 [0,2,0,0,0,0|2,0,0]=4 7985 B12R1.440 [13CH3]Oc1cccc(c1F)C(=O)N 34a_100009841371_200025704644 [0,2,0,0,0,0|2,0,0]=4 7986 B12R1.440 [13CH3]Oc1cccc(c1F)C(=O)N 7a_100009841371_200025704644 [0,2,0,0,0,0|2,0,0]=4 7987 B12R1.440 [13CH3]Oc1cccc(c1F)[N+](=O)[O-] 34a_100000100933_200025704644 [0,2,0,0,0,0|2,0,0]=4 7988 B12R1.440 [13CH3]Oc1cccc(c1F)[N+](=O)[O-] 7a_100000100933_200025704644 [0,2,0,0,0,0|2,0,0]=4 7989 B12R1.440 [13CH3]Oc1cccc(c1I)[N+](=O)[O-] 7a_100010176071_200025704644 [0,2,0,0,0,0|2,0,0]=4 7990 B12R1.440 [13CH3]Oc1cccc(c1N)[N+](=O)[O-] 7a_100000739591_200025704644 [0,2,0,0,0,0|2,0,0]=4 7991 B12R1.453 C=C(C)c1cc(ccc1Br)OC 271570a_100000694244_100009992028 [0,2,0,0,0,0|1,0,0]=3 7992 B12R1.453 C=C(C)c1cc(ccc1C)NC 271570a_100000694244_100000707694 [0,2,0,0,0,0|2,0,0]=4 7993 B12R1.453 C=C(C)c1cc(ccc1C)OC 271570a_100000694244_100012349166 [0,2,0,0,0,0|1,0,0]=3 7994 B12R1.453 C=C(C)c1cc(ccc1Cl)OC 271570a_100000694244_100011356938 [0,2,0,0,0,0|1,0,0]=3 7995 B12R1.453 C=C(C)c1cc(ccc1F)CC 271570a_100000694244_200010244628 [0,2,0,0,0,0|2,0,0]=4 7996 B12R1.453 C=C(C)c1cc(ccc1F)OC 271570a_100000694244_100000699733 [0,2,0,0,0,0|1,0,0]=3 7997 B12R1.453 C=C(C)c1cc(ccc1F)SC 271570a_100000694244_200010708804 [0,2,0,0,0,0|1,1,0]=4 7998 B12R1.453 C=C(C)c1cc(ccc1N)CC 271570a_100000694244_100012339725 [0,2,0,0,0,0|2,0,0]=4 7999 B12R1.453 C=C(C)c1cc(ccc1N)OC 271570a_100000694244_100015195136 [0,2,0,0,0,0|1,0,0]=3 8000 B12R1.453 C=C(C)c1cc(ccc1O)CC 271570a_100000694244_100012339963 [0,2,0,0,0,0|2,0,0]=4 8001 B12R1.453 C=C(C)c1cc(ccc1O)OC 271570a_100000694244_100000685887 [0,2,0,0,0,0|1,0,0]=3 8002 B12R1.453 C=C(C)c1cc(cnc1F)OC 271570a_100000694244_100010068374 [0,2,0,0,0,0|2,0,0]=4 8003 B12R1.453 C=C(C)c1cc(ncc1C)OC 271570a_100000694244_100010068546 [0,2,0,0,0,0|2,0,0]=4 8004 B12R1.453 C=C(C)c1cc(ncc1Cl)OC 271570a_100000694244_100010068019 [0,2,0,0,0,0|2,0,0]=4 8005 B12R1.453 C=C(C)c1cc(ncc1F)OC 271570a_100000694244_100010160775 [0,2,0,0,0,0|2,0,0]=4 8006 B12R1.453 C=C(C)c1nc(ccc1N)OC 271570a_100000694244_100000069805 [0,2,0,0,0,0|2,0,0]=4 8007 B12R1.453 CC(=O)c1cc(ccc1C)S[13CH3] 62a_100012706819_200025704644 [0,2,0,0,0,0|1,1,0]=4 8008 B12R1.453 CC(=O)c1cc(ccc1Cl)O[13CH3] 34a_100009867868_200025704644 [0,2,0,0,0,0|1,0,0]=3 8009 B12R1.453 CC(=O)c1cc(ccc1Cl)O[13CH3] 7a_100009867868_200025704644 [0,2,0,0,0,0|1,0,0]=3 8010 B12R1.453 CC(=O)c1cc(ccc1Cl)S[13CH3] 62a_100010712560_200025704644 [0,2,0,0,0,0|1,1,0]=4 8011 B12R1.453 CC(=O)c1cc(ccc1F)O[13CH3] 34a_100000091700_200025704644 [0,2,0,0,0,0|1,0,0]=3 8012 B12R1.453 CC(=O)c1cc(ccc1F)O[13CH3] 7a_100000091700_200025704644 [0,2,0,0,0,0|1,0,0]=3 8013 B12R1.453 CC(=O)c1cc(ccc1F)S[13CH3] 62a_100000689017_200025704644 [0,2,0,0,0,0|1,1,0]=4 8014 B12R1.453 CC(=O)c1cc(ccc1F)S[13CH3] 62a_200025704644_100010254839 [0,2,0,0,0,0|1,1,0]=4 8015 B12R1.453 CC(=O)c1cc(ccc1N)S[13CH3] 62a_100000695420_200025704644 [0,2,0,0,0,0|1,1,0]=4 8016 B12R1.453 CC(C)c1cc(ccc1F)S[13CH3] 62a_200025704644_200053017515 [0,2,0,0,0,0|1,1,0]=4 8017 B12R1.453 CC(C)c1cc(ccc1F)S[13CH3] 62a_200053017515_200025704644 [0,2,0,0,0,0|1,1,0]=4 8018 B12R1.453 CC(C)c1cc(ccc1N)S[13CH3] 62a_100000694223_200025704644 [0,2,0,0,0,0|1,1,0]=4 8019 B12R1.453 CC(C)c1cc(ccc1N)S[13CH3] 62a_200025704644_100000694223 [0,2,0,0,0,0|1,1,0]=4 8020 B12R1.453 CC(C)c1cc(ccc1O)S[13CH3] 62a_100000691460_200025704644 [0,2,0,0,0,0|1,1,0]=4 8021 B12R1.453 CC(C)c1cc(ccc1O)S[13CH3] 62a_200025704644_100000691460 [0,2,0,0,0,0|1,1,0]=4 8022 B12R1.453 CC(O)c1cc(ccc1F)S[13CH3] 62a_100011943926_200025704644 [0,2,0,0,0,0|1,1,0]=4 8023 B12R1.453 CC(O)c1cc(ccc1F)S[13CH3] 62a_200025704644_100011943926 [0,2,0,0,0,0|1,1,0]=4 8024 B12R1.453 CCc1ccc(c(c1)C(=O)C)O 1458a_200000748397_200000210301 [0,2,0,0,0,0|2,0,0]=4 8025 B12R1.453 CCc1ccc(c(c1)C(=O)[13CH3])O 1458a_200000748397_200025704644 [0,2,0,0,0,0|2,0,0]=4 8026 B12R1.453 CN(C)c1cc(ccc1F)S[13CH3] 62a_100010288836_200025704644 [0,2,0,0,0,0|1,1,0]=4 8027 B12R1.453 CN(C)c1cc(ccc1F)S[13CH3] 62a_200025704644_100010288836 [0,2,0,0,0,0|1,1,0]=4 8028 B12R1.453 CN(C)c1cc(ccc1I)O[13CH3] 34a_200010083878_200025704644 [0,2,0,0,0,0|1,0,0]=3 8029 B12R1.453 CNc1ccc(c(c1)N(C)C)C 34a_100011708272_200000210301 [0,2,0,0,0,0|2,0,0]=4 8030 B12R1.453 COc1ccc(c(c1)B(O)O)O 271570a_203496583355_100009814730 [0,2,0,0,0,0|2,0,0]=4 8031 B12R1.453 COc1ccc(c(c1)C(=O)C)Br 1458a_100000211723_200000210301 [0,2,0,0,0,0|1,0,0]=3 8032 B12R1.453 COc1ccc(c(c1)C(=O)C)C 1458a_100011399813_200000210301 [0,2,0,0,0,0|1,0,0]=3 8033 B12R1.453 COc1ccc(c(c1)C(=O)C)Cl 1458a_100000763818_200000210301 [0,2,0,0,0,0|1,0,0]=3 8034 B12R1.453 COc1ccc(c(c1)C(=O)C)Cl 34a_100009867868_200000210301 [0,2,0,0,0,0|1,0,0]=3 8035 B12R1.453 COc1ccc(c(c1)C(=O)C)Cl 7a_100009867868_200000210301 [0,2,0,0,0,0|1,0,0]=3 8036 B12R1.453 COc1ccc(c(c1)C(=O)C)F 1458a_100011217016_200000210301 [0,2,0,0,0,0|1,0,0]=3 8037 B12R1.453 COc1ccc(c(c1)C(=O)C)F 34a_100000091700_200000210301 [0,2,0,0,0,0|1,0,0]=3 8038 B12R1.453 COc1ccc(c(c1)C(=O)C)F 7a_100000091700_200000210301 [0,2,0,0,0,0|1,0,0]=3 8039 B12R1.453 COc1ccc(c(c1)C(=O)C)I 1458a_100012339533_200000210301 [0,2,0,0,0,0|1,0,0]=3 8040 B12R1.453 COc1ccc(c(c1)C(=O)C)O 1458a_100000211986_200000210301 [0,2,0,0,0,0|1,0,0]=3 8041 B12R1.453 COc1ccc(c(c1)C(=O)C)O 271570a_203496583355_100011360761 [0,2,0,0,0,0|1,0,0]=3 8042 B12R1.453 COc1ccc(c(c1)C(=O)N)O 271570a_203496583355_100000162014 [0,2,0,0,0,0|2,0,0]=4 8043 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])Br 1458a_100000211723_200025704644 [0,2,0,0,0,0|1,0,0]=3 8044 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])C 1458a_100011399813_200025704644 [0,2,0,0,0,0|1,0,0]=3 8045 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])Cl 1458a_100000763818_200025704644 [0,2,0,0,0,0|1,0,0]=3 8046 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])F 1458a_100011217016_200025704644 [0,2,0,0,0,0|1,0,0]=3 8047 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])I 1458a_100012339533_200025704644 [0,2,0,0,0,0|1,0,0]=3 8048 B12R1.453 COc1ccc(c(c1)C(=O)[13CH3])O 1458a_100000211986_200025704644 [0,2,0,0,0,0|1,0,0]=3 8049 B12R1.453 COc1ccc(c(c1)C(F)F)O 271570a_203496583355_100010189949 [0,2,0,0,0,0|2,0,0]=4 8050 B12R1.453 COc1ccc(c(c1)N(C)C)C 34a_200000087912_200000210301 [0,2,0,0,0,0|1,0,0]=3 8051 B12R1.453 COc1ccc(c(c1)N(C)C)I 34a_200010083878_200000210301 [0,2,0,0,0,0|1,0,0]=3 8052 B12R1.453 COc1ccc(c(c1)[C@H](C)N)O 271570a_203496583355_200015425320 [0,2,0,0,0,0|1,0,0]=3 8053 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])Br 34a_100012232398_200000210301 [0,2,0,0,0,0|2,0,0]=4 8054 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])Br 7a_100012232398_200000210301 [0,2,0,0,0,0|2,0,0]=4 8055 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])C 34a_100000742313_200000210301 [0,2,0,0,0,0|2,0,0]=4 8056 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])C 7a_100000742313_200000210301 [0,2,0,0,0,0|2,0,0]=4 8057 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])Cl 34a_100000718020_200000210301 [0,2,0,0,0,0|2,0,0]=4 8058 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])Cl 7a_100000718020_200000210301 [0,2,0,0,0,0|2,0,0]=4 8059 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])F 34a_100011294462_200000210301 [0,2,0,0,0,0|2,0,0]=4 8060 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])F 7a_100011294462_200000210301 [0,2,0,0,0,0|2,0,0]=4 8061 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])I 7a_100000031453_200000210301 [0,2,0,0,0,0|2,0,0]=4 8062 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])N 34a_100000740891_200000210301 [0,2,0,0,0,0|2,0,0]=4 8063 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])N 7a_100000740891_200000210301 [0,2,0,0,0,0|2,0,0]=4 8064 B12R1.453 CSc1ccc(c(c1)C(=O)C)C 62a_100012706819_200000210301 [0,2,0,0,0,0|1,1,0]=4 8065 B12R1.453 CSc1ccc(c(c1)C(=O)C)Cl 1458a_100000212015_200000210301 [0,2,0,0,0,0|1,1,0]=4 8066 B12R1.453 CSc1ccc(c(c1)C(=O)C)Cl 62a_100010712560_200000210301 [0,2,0,0,0,0|1,1,0]=4 8067 B12R1.453 CSc1ccc(c(c1)C(=O)C)F 1458a_200012183283_200000210301 [0,2,0,0,0,0|1,1,0]=4 8068 B12R1.453 CSc1ccc(c(c1)C(=O)C)F 62a_100000689017_200000210301 [0,2,0,0,0,0|1,1,0]=4 8069 B12R1.453 CSc1ccc(c(c1)C(=O)C)F 62a_200000210301_100010254839 [0,2,0,0,0,0|1,1,0]=4 8070 B12R1.453 CSc1ccc(c(c1)C(=O)C)N 62a_100000695420_200000210301 [0,2,0,0,0,0|1,1,0]=4 8071 B12R1.453 CSc1ccc(c(c1)C(=O)[13CH3])Cl 1458a_100000212015_200025704644 [0,2,0,0,0,0|1,1,0]=4 8072 B12R1.453 CSc1ccc(c(c1)C(=O)[13CH3])F 1458a_200012183283_200025704644 [0,2,0,0,0,0|1,1,0]=4 8073 B12R1.453 CSc1ccc(c(c1)C(C)C)F 62a_200000210301_200053017515 [0,2,0,0,0,0|1,1,0]=4 8074 B12R1.453 CSc1ccc(c(c1)C(C)C)F 62a_200053017515_200000210301 [0,2,0,0,0,0|1,1,0]=4 8075 B12R1.453 CSc1ccc(c(c1)C(C)C)N 62a_100000694223_200000210301 [0,2,0,0,0,0|1,1,0]=4 8076 B12R1.453 CSc1ccc(c(c1)C(C)C)N 62a_200000210301_100000694223 [0,2,0,0,0,0|1,1,0]=4 8077 B12R1.453 CSc1ccc(c(c1)C(C)C)O 62a_100000691460_200000210301 [0,2,0,0,0,0|1,1,0]=4 8078 B12R1.453 CSc1ccc(c(c1)C(C)C)O 62a_200000210301_100000691460 [0,2,0,0,0,0|1,1,0]=4 8079 B12R1.453 CSc1ccc(c(c1)C(C)O)F 62a_100011943926_200000210301 [0,2,0,0,0,0|1,1,0]=4 8080 B12R1.453 CSc1ccc(c(c1)C(C)O)F 62a_200000210301_100011943926 [0,2,0,0,0,0|1,1,0]=4 8081 B12R1.453 CSc1ccc(c(c1)N(C)C)F 62a_100010288836_200000210301 [0,2,0,0,0,0|1,1,0]=4 8082 B12R1.453 CSc1ccc(c(c1)N(C)C)F 62a_200000210301_100010288836 [0,2,0,0,0,0|1,1,0]=4 8083 B12R1.453 Cc1ccc(cc1N(C)C)N[13CH3] 34a_100011708272_200025704644 [0,2,0,0,0,0|2,0,0]=4 8084 B12R1.453 Cc1ccc(cc1N(C)C)O[13CH3] 34a_200000087912_200025704644 [0,2,0,0,0,0|1,0,0]=3 8085 B12R1.453 Cc1ccc(cc1[N+](=O)[O-])O[13CH3] 34a_100000742313_200025704644 [0,2,0,0,0,0|2,0,0]=4 8086 B12R1.453 Cc1ccc(cc1[N+](=O)[O-])O[13CH3] 7a_100000742313_200025704644 [0,2,0,0,0,0|2,0,0]=4 8087 B12R1.453 [13CH3]Oc1ccc(c(c1)[N+](=O)[O-])Br 34a_100012232398_200025704644 [0,2,0,0,0,0|2,0,0]=4 8088 B12R1.453 [13CH3]Oc1ccc(c(c1)[N+](=O)[O-])Br 7a_100012232398_200025704644 [0,2,0,0,0,0|2,0,0]=4 8089 B12R1.453 [13CH3]Oc1ccc(c(c1)[N+](=O)[O-])Cl 34a_100000718020_200025704644 [0,2,0,0,0,0|2,0,0]=4 8090 B12R1.453 [13CH3]Oc1ccc(c(c1)[N+](=O)[O-])Cl 7a_100000718020_200025704644 [0,2,0,0,0,0|2,0,0]=4 8091 B12R1.453 [13CH3]Oc1ccc(c(c1)[N+](=O)[O-])F 34a_100011294462_200025704644 [0,2,0,0,0,0|2,0,0]=4 8092 B12R1.453 [13CH3]Oc1ccc(c(c1)[N+](=O)[O-])F 7a_100011294462_200025704644 [0,2,0,0,0,0|2,0,0]=4 8093 B12R1.453 [13CH3]Oc1ccc(c(c1)[N+](=O)[O-])I 7a_100000031453_200025704644 [0,2,0,0,0,0|2,0,0]=4 8094 B12R1.453 [13CH3]Oc1ccc(c(c1)[N+](=O)[O-])N 34a_100000740891_200025704644 [0,2,0,0,0,0|2,0,0]=4 8095 B12R1.453 [13CH3]Oc1ccc(c(c1)[N+](=O)[O-])N 7a_100000740891_200025704644 [0,2,0,0,0,0|2,0,0]=4 8096 B12R1.654 C=Cc1c(ccc(c1C)OC)C 271570a_100011290941_100016151084 [0,2,0,0,0,0|1,0,1]=4 8097 B12R1.654 C=Cc1c(ccc(c1F)OC)F 271570a_100011290941_100010946477 [0,2,0,0,0,0|1,0,1]=4 8098 B12R1.654 C=Cc1ccc(c(c1F)OC)Cl 271570a_100011290941_200135222481 [0,2,0,0,0,0|1,0,1]=4 8099 B12R1.654 C=Cc1ccc(c(c1F)OC)N 271570a_100011290941_100010734149 [0,2,0,0,0,0|1,0,1]=4 8100 B12R1.654 CNc1c(ccc(c1C)OC)C 34a_100000089760_200000210301 [0,2,0,0,0,0|1,0,0]=3 8101 B12R1.654 CNc1c(ccc(c1C)OC)C 7a_100000089760_200000210301 [0,2,0,0,0,0|1,0,0]=3 8102 B12R1.654 CNc1c(ccc(c1Cl)OC)Cl 34a_100009956855_200000210301 [0,2,0,0,0,0|1,0,0]=3 8103 B12R1.654 CNc1c(ccc(c1Cl)OC)F 34a_100000061512_200000210301 [0,2,0,0,0,0|1,0,0]=3 8104 B12R1.654 CNc1c(ccc(c1F)OC)Cl 34a_100000061519_200000210301 [0,2,0,0,0,0|1,0,0]=3 8105 B12R1.654 CNc1c(ccc(c1F)OC)F 34a_200000062051_200000210301 [0,2,0,0,0,0|1,0,0]=3 8106 B12R1.654 CNc1ccc(c(c1F)OC)F 34a_100137314619_200000210301 [0,2,0,0,0,0|1,0,0]=3 8107 B12R1.654 COc1c(ccc(c1F)C#N)O 271570a_203496583355_200010764284 [0,2,0,0,0,0|2,0,0]=4 8108 B12R1.654 COc1c(ccc(c1F)C=O)O 271570a_203496583355_200010981996 [0,2,0,0,0,0|2,0,0]=4 8109 B12R1.654 COc1c(ccc(c1F)N[13CH3])F 34a_100137314619_200025704644 [0,2,0,0,0,0|1,0,0]=3 8110 B12R1.654 COc1c(ccc(c1F)O[13CH3])F 34a_100000062073_200025704644 [0,2,0,0,0,0|0,0,0]=2 8111 B12R1.654 COc1c(ccc(c1F)O[13CH3])F 7a_100000062073_200025704644 [0,2,0,0,0,0|0,0,0]=2 8112 B12R1.654 COc1c(ccc(c1F)SC)Cl 62a_200000210301_200135222481 [0,2,0,0,0,0|0,1,0]=3 8113 B12R1.654 COc1c(ccc(c1F)SC)Cl 62a_200135222481_200000210301 [0,2,0,0,0,0|0,1,0]=3 8114 B12R1.654 COc1c(ccc(c1F)SC)N 62a_100010734149_200000210301 [0,2,0,0,0,0|0,1,0]=3 8115 B12R1.654 COc1c(ccc(c1F)SC)N 62a_200000210301_100010734149 [0,2,0,0,0,0|0,1,0]=3 8116 B12R1.654 COc1c(ccc(c1F)S[13CH3])Cl 62a_200025704644_200135222481 [0,2,0,0,0,0|0,1,0]=3 8117 B12R1.654 COc1c(ccc(c1F)S[13CH3])Cl 62a_200135222481_200025704644 [0,2,0,0,0,0|0,1,0]=3 8118 B12R1.654 COc1c(ccc(c1F)S[13CH3])N 62a_100010734149_200025704644 [0,2,0,0,0,0|0,1,0]=3 8119 B12R1.654 COc1c(ccc(c1F)S[13CH3])N 62a_200025704644_100010734149 [0,2,0,0,0,0|0,1,0]=3 8120 B12R1.654 COc1ccc(c(c1Br)OC)Cl 34a_200020794976_200000210301 [0,2,0,0,0,0|0,0,0]=2 8121 B12R1.654 COc1ccc(c(c1Br)OC)Cl 7a_200020794976_200000210301 [0,2,0,0,0,0|0,0,0]=2 8122 B12R1.654 COc1ccc(c(c1Br)O[13CH3])Cl 34a_200020794976_200025704644 [0,2,0,0,0,0|0,0,0]=2 8123 B12R1.654 COc1ccc(c(c1Br)O[13CH3])Cl 7a_200020794976_200025704644 [0,2,0,0,0,0|0,0,0]=2 8124 B12R1.654 COc1ccc(c(c1Br)SC)F 62a_200000210301_200055343962 [0,2,0,0,0,0|0,1,0]=3 8125 B12R1.654 COc1ccc(c(c1Br)SC)F 62a_200055343962_200000210301 [0,2,0,0,0,0|0,1,0]=3 8126 B12R1.654 COc1ccc(c(c1Br)S[13CH3])F 62a_200025704644_200055343962 [0,2,0,0,0,0|0,1,0]=3 8127 B12R1.654 COc1ccc(c(c1Br)S[13CH3])F 62a_200055343962_200025704644 [0,2,0,0,0,0|0,1,0]=3 8128 B12R1.654 COc1ccc(c(c1C)N[13CH3])C 34a_100000089760_200025704644 [0,2,0,0,0,0|1,0,0]=3 8129 B12R1.654 COc1ccc(c(c1C)N[13CH3])C 7a_100000089760_200025704644 [0,2,0,0,0,0|1,0,0]=3 8130 B12R1.654 COc1ccc(c(c1C)OC)O 271570a_203496583355_100010234078 [0,2,0,0,0,0|0,0,0]=2 8131 B12R1.654 COc1ccc(c(c1C)SC)C 62a_100016151084_200000210301 [0,2,0,0,0,0|0,1,0]=3 8132 B12R1.654 COc1ccc(c(c1C)SC)C 62a_200000210301_100016151084 [0,2,0,0,0,0|0,1,0]=3 8133 B12R1.654 COc1ccc(c(c1C)S[13CH3])C 62a_100016151084_200025704644 [0,2,0,0,0,0|0,1,0]=3 8134 B12R1.654 COc1ccc(c(c1C)S[13CH3])C 62a_200025704644_100016151084 [0,2,0,0,0,0|0,1,0]=3 8135 B12R1.654 COc1ccc(c(c1Cl)N[13CH3])Cl 34a_100009956855_200025704644 [0,2,0,0,0,0|1,0,0]=3 8136 B12R1.654 COc1ccc(c(c1Cl)N[13CH3])F 34a_100000061512_200025704644 [0,2,0,0,0,0|1,0,0]=3 8137 B12R1.654 COc1ccc(c(c1Cl)OC)F 34a_200000061507_200000210301 [0,2,0,0,0,0|0,0,0]=2 8138 B12R1.654 COc1ccc(c(c1Cl)OC)F 7a_200000061507_200000210301 [0,2,0,0,0,0|0,0,0]=2 8139 B12R1.654 COc1ccc(c(c1Cl)O[13CH3])F 34a_200000061507_200025704644 [0,2,0,0,0,0|0,0,0]=2 8140 B12R1.654 COc1ccc(c(c1Cl)O[13CH3])F 7a_200000061507_200025704644 [0,2,0,0,0,0|0,0,0]=2 8141 B12R1.654 COc1ccc(c(c1F)C=O)O 271570a_203496583355_100010204294 [0,2,0,0,0,0|2,0,0]=4 8142 B12R1.654 COc1ccc(c(c1F)N[13CH3])Cl 34a_100000061519_200025704644 [0,2,0,0,0,0|1,0,0]=3 8143 B12R1.654 COc1ccc(c(c1F)N[13CH3])F 34a_200000062051_200025704644 [0,2,0,0,0,0|1,0,0]=3 8144 B12R1.654 COc1ccc(c(c1F)OC)F 34a_100000062056_200000210301 [0,2,0,0,0,0|0,0,0]=2 8145 B12R1.654 COc1ccc(c(c1F)OC)F 34a_100000062073_200000210301 [0,2,0,0,0,0|0,0,0]=2 8146 B12R1.654 COc1ccc(c(c1F)OC)F 7a_100000062056_200000210301 [0,2,0,0,0,0|0,0,0]=2 8147 B12R1.654 COc1ccc(c(c1F)OC)F 7a_100000062073_200000210301 [0,2,0,0,0,0|0,0,0]=2 8148 B12R1.654 COc1ccc(c(c1F)OC)O 271570a_203496583355_200010341284 [0,2,0,0,0,0|0,0,0]=2 8149 B12R1.654 COc1ccc(c(c1F)O[13CH3])F 34a_100000062056_200025704644 [0,2,0,0,0,0|0,0,0]=2 8150 B12R1.654 COc1ccc(c(c1F)O[13CH3])F 7a_100000062056_200025704644 [0,2,0,0,0,0|0,0,0]=2 8151 B12R1.654 COc1ccc(c(c1F)SC)F 62a_100010946477_200000210301 [0,2,0,0,0,0|0,1,0]=3 8152 B12R1.654 COc1ccc(c(c1F)SC)F 62a_200000210301_100010946477 [0,2,0,0,0,0|0,1,0]=3 8153 B12R1.654 COc1ccc(c(c1F)SC)O 271570a_203496583355_200011099385 [0,2,0,0,0,0|0,1,0]=3 8154 B12R1.654 COc1ccc(c(c1F)S[13CH3])F 62a_100010946477_200025704644 [0,2,0,0,0,0|0,1,0]=3 8155 B12R1.654 COc1ccc(c(c1F)S[13CH3])F 62a_200025704644_100010946477 [0,2,0,0,0,0|0,1,0]=3 8156 B12R1.654 COc1ccc(c(c1O)C=O)F 271570a_203496583355_200010245882 [0,2,0,0,0,0|2,0,0]=4 8157 B12R1.654 COc1ccc(c(c1O)C=O)O 271570a_203496583355_100009813834 [0,2,0,0,0,0|2,0,0]=4 8158 B12R1.654 COc1ccc(c(c1O)CO)F 271570a_203496583355_200010942130 [0,2,0,0,0,0|2,0,0]=4 8159 B12R1.654 COc1ccc(c(c1O)SC)F 271570a_203496583355_200021624531 [0,2,0,0,0,0|0,1,0]=3 8160 B12R1.654 CSc1c(ccc(c1F)S[13CH3])F 62a_200025704644_202125771753 [0,2,0,0,0,0|0,2,0]=4 8161 B12R1.654 CSc1c(ccc(c1F)S[13CH3])F 62a_202125771753_200025704644 [0,2,0,0,0,0|0,2,0]=4 8162 B12R1.654 CSc1ccc(c(c1F)SC)F 62a_200000210301_202125771753 [0,2,0,0,0,0|0,2,0]=4 8163 B12R1.654 CSc1ccc(c(c1F)SC)F 62a_202125771753_200000210301 [0,2,0,0,0,0|0,2,0]=4 8164 B12R1.1879 C=Cc1c(cccc1CC)CC 271570a_100011290941_100010212195 [0,2,0,0,0,0|2,0,0]=4 8165 B12R1.1879 C=Cc1c(cccc1OC)CO 271570a_100011290941_100010236476 [0,2,0,0,0,0|2,0,0]=4 8166 B12R1.1879 C=Cc1c(cccc1OC)OC 271570a_100011290941_100000050062 [0,2,0,0,0,0|0,0,0]=2 8167 B12R1.1879 C=Cc1c(ccnc1OC)OC 271570a_100011290941_100010114374 [0,2,0,0,0,0|1,0,0]=3 8168 B12R1.1879 C=Cc1c(cncc1OC)OC 271570a_100011290941_200010191558 [0,2,0,0,0,0|1,0,0]=3 8169 B12R1.1879 C=Cc1c(cnnc1OC)OC 271570a_100011290941_100009871623 [0,2,0,0,0,0|2,0,0]=4 8170 B12R1.1879 C=Cc1c(ncnc1OC)OC 271570a_100011290941_100009995502 [0,2,0,0,0,0|2,0,0]=4 8171 B12R1.1879 C=Cc1cccc(c1C#N)OC 271570a_100011290941_100012356440 [0,2,0,0,0,0|1,0,1]=4 8172 B12R1.1879 C=Cc1cccc(c1C=O)OC 271570a_100011290941_100009814803 [0,2,0,0,0,0|1,0,1]=4 8173 B12R1.1879 C=Cc1cccc(c1OC)OC 271570a_100011290941_100009815961 [0,2,0,0,0,0|1,0,1]=4 8174 B12R1.1879 CCc1cccc(c1NC)CC 2230a_100000211307_200000210301 [0,2,0,0,0,0|2,0,0]=4 8175 B12R1.1879 CCc1cccc(c1NC)CC 34a_100000211307_200000210301 [0,2,0,0,0,0|2,0,0]=4 8176 B12R1.1879 CCc1cccc(c1NC)CC 7a_100000211307_200000210301 [0,2,0,0,0,0|2,0,0]=4 8177 B12R1.1879 CCc1cccc(c1N[13CH3])CC 2230a_100000211307_200025704644 [0,2,0,0,0,0|2,0,0]=4 8178 B12R1.1879 CCc1cccc(c1N[13CH3])CC 34a_100000211307_200025704644 [0,2,0,0,0,0|2,0,0]=4 8179 B12R1.1879 CCc1cccc(c1N[13CH3])CC 7a_100000211307_200025704644 [0,2,0,0,0,0|2,0,0]=4 8180 B12R1.1879 CCc1cccc(c1OC)CC 34a_100000078057_200000210301 [0,2,0,0,0,0|2,0,0]=4 8181 B12R1.1879 CCc1cccc(c1OC)CC 7a_100000078057_200000210301 [0,2,0,0,0,0|2,0,0]=4 8182 B12R1.1879 CCc1cccc(c1O[13CH3])CC 34a_100000078057_200025704644 [0,2,0,0,0,0|2,0,0]=4 8183 B12R1.1879 CCc1cccc(c1O[13CH3])CC 7a_100000078057_200025704644 [0,2,0,0,0,0|2,0,0]=4 8184 B12R1.1879 CCc1cccc(c1SC)CC 62a_100010212195_200000210301 [0,2,0,0,0,0|2,0,0]=4 8185 B12R1.1879 CCc1cccc(c1SC)CC 62a_200000210301_100010212195 [0,2,0,0,0,0|2,0,0]=4 8186 B12R1.1879 CCc1cccc(c1S[13CH3])CC 62a_100010212195_200025704644 [0,2,0,0,0,0|2,0,0]=4 8187 B12R1.1879 CCc1cccc(c1S[13CH3])CC 62a_200025704644_100010212195 [0,2,0,0,0,0|2,0,0]=4 8188 B12R1.1879 CNc1c(cccc1OC)C#N 2230a_100000722693_200000210301 [0,2,0,0,0,0|2,0,0]=4 8189 B12R1.1879 CNc1c(cccc1OC)CO 34a_100011999522_200000210301 [0,2,0,0,0,0|2,0,0]=4 8190 B12R1.1879 CNc1c(cccc1OC)OC 2230a_100011218430_200000210301 [0,2,0,0,0,0|0,0,0]=2 8191 B12R1.1879 CNc1c(cccc1OC)OC 34a_100011218430_200000210301 [0,2,0,0,0,0|0,0,0]=2 8192 B12R1.1879 CNc1c(cccc1SC)OC 2230a_200012283368_200000210301 [0,2,0,0,0,0|0,1,0]=3 8193 B12R1.1879 CNc1c(cccc1SC)OC 34a_200012283368_200000210301 [0,2,0,0,0,0|0,1,0]=3 8194 B12R1.1879 CNc1cccc(c1C#N)SC 62a_200000210301_200012769483 [0,2,0,0,0,0|1,1,0]=4 8195 B12R1.1879 CNc1cccc(c1C#N)S[13CH3] 62a_200025704644_200012769483 [0,2,0,0,0,0|1,1,0]=4 8196 B12R1.1879 CNc1cccc(c1OC)OC 34a_100011217386_200000210301 [0,2,0,0,0,0|1,0,0]=3 8197 B12R1.1879 CNc1ccnc(c1C#N)OC 27a_100102657272_200009870389 [0,2,0,0,0,0|2,0,0]=4 8198 B12R1.1879 CNc1nccc(c1C#N)OC 27a_100102657272_100000047147 [0,2,0,0,0,0|2,0,0]=4 8199 B12R1.1879 COc1c(cccc1O[13CH3])C#N 34a_200009874251_200025704644 [0,2,0,0,0,0|2,0,0]=4 8200 B12R1.1879 COc1cccc(c1C#N)SC 62a_200000210301_100012356440 [0,2,0,0,0,0|0,1,0]=3 8201 B12R1.1879 COc1cccc(c1C#N)S[13CH3] 62a_200025704644_100012356440 [0,2,0,0,0,0|0,1,0]=3 8202 B12R1.1879 COc1cccc(c1C=O)SC 62a_100009814803_200000210301 [0,2,0,0,0,0|0,1,0]=3 8203 B12R1.1879 COc1cccc(c1C=O)S[13CH3] 62a_100009814803_200025704644 [0,2,0,0,0,0|0,1,0]=3 8204 B12R1.1879 COc1cccc(c1N[13CH3])C#N 2230a_100000722693_200025704644 [0,2,0,0,0,0|2,0,0]=4 8205 B12R1.1879 COc1cccc(c1N[13CH3])CO 34a_100011999522_200025704644 [0,2,0,0,0,0|2,0,0]=4 8206 B12R1.1879 COc1cccc(c1N[13CH3])OC 2230a_100011218430_200025704644 [0,2,0,0,0,0|0,0,0]=2 8207 B12R1.1879 COc1cccc(c1N[13CH3])OC 34a_100011218430_200025704644 [0,2,0,0,0,0|0,0,0]=2 8208 B12R1.1879 COc1cccc(c1N[13CH3])SC 2230a_200012283368_200025704644 [0,2,0,0,0,0|0,1,0]=3 8209 B12R1.1879 COc1cccc(c1N[13CH3])SC 34a_200012283368_200025704644 [0,2,0,0,0,0|0,1,0]=3 8210 B12R1.1879 COc1cccc(c1OC)C#N 34a_100011934230_200000210301 [0,2,0,0,0,0|2,0,0]=4 8211 B12R1.1879 COc1cccc(c1OC)C#N 34a_200009874251_200000210301 [0,2,0,0,0,0|2,0,0]=4 8212 B12R1.1879 COc1cccc(c1OC)CO 34a_100011218668_200000210301 [0,2,0,0,0,0|2,0,0]=4 8213 B12R1.1879 COc1cccc(c1OC)N[13CH3] 34a_100011217386_200025704644 [0,2,0,0,0,0|1,0,0]=3 8214 B12R1.1879 COc1cccc(c1OC)OC 34a_100000032319_200000210301 [0,2,0,0,0,0|0,0,0]=2 8215 B12R1.1879 COc1cccc(c1OC)OC 34a_100000211025_200000210301 [0,2,0,0,0,0|0,0,0]=2 8216 B12R1.1879 COc1cccc(c1OC)O[13CH3] 34a_100000032319_200025704644 [0,2,0,0,0,0|0,0,0]=2 8217 B12R1.1879 COc1cccc(c1OC)SC 62a_200000210301_100010163134 [0,2,0,0,0,0|0,1,0]=3 8218 B12R1.1879 COc1cccc(c1OC)S[13CH3] 62a_200025704644_100010163134 [0,2,0,0,0,0|0,1,0]=3 8219 B12R1.1879 COc1cccc(c1O[13CH3])C#N 34a_100011934230_200025704644 [0,2,0,0,0,0|2,0,0]=4 8220 B12R1.1879 COc1cccc(c1O[13CH3])CO 34a_100011218668_200025704644 [0,2,0,0,0,0|2,0,0]=4 8221 B12R1.1879 COc1cccc(c1O[13CH3])OC 34a_100000211025_200025704644 [0,2,0,0,0,0|0,0,0]=2 8222 B12R1.1879 COc1cccc(c1SC)C=O 62a_100010209554_200000210301 [0,2,0,0,0,0|2,0,0]=4 8223 B12R1.1879 COc1cccc(c1SC)C=O 62a_200000210301_100010209554 [0,2,0,0,0,0|2,0,0]=4 8224 B12R1.1879 COc1cccc(c1SC)CO 62a_100010236476_200000210301 [0,2,0,0,0,0|2,0,0]=4 8225 B12R1.1879 COc1cccc(c1SC)CO 62a_200000210301_100010236476 [0,2,0,0,0,0|2,0,0]=4 8226 B12R1.1879 COc1cccc(c1SC)OC 62a_100000690108_200000210301 [0,2,0,0,0,0|0,0,0]=2 8227 B12R1.1879 COc1cccc(c1SC)OC 62a_200000210301_100000690108 [0,2,0,0,0,0|0,0,0]=2 8228 B12R1.1879 COc1cccc(c1S[13CH3])C=O 62a_100010209554_200025704644 [0,2,0,0,0,0|2,0,0]=4 8229 B12R1.1879 COc1cccc(c1S[13CH3])C=O 62a_200025704644_100010209554 [0,2,0,0,0,0|2,0,0]=4 8230 B12R1.1879 COc1cccc(c1S[13CH3])CO 62a_100010236476_200025704644 [0,2,0,0,0,0|2,0,0]=4 8231 B12R1.1879 COc1cccc(c1S[13CH3])CO 62a_200025704644_100010236476 [0,2,0,0,0,0|2,0,0]=4 8232 B12R1.1879 COc1cccc(c1S[13CH3])OC 62a_100000690108_200025704644 [0,2,0,0,0,0|0,0,0]=2 8233 B12R1.1879 COc1cccc(c1S[13CH3])OC 62a_200025704644_100000690108 [0,2,0,0,0,0|0,0,0]=2 8234 B12R1.1879 COc1ccnc(c1C#N)SC 62a_200000210301_100000047147 [0,2,0,0,0,0|1,1,0]=4 8235 B12R1.1879 COc1ccnc(c1C#N)S[13CH3] 62a_200025704644_100000047147 [0,2,0,0,0,0|1,1,0]=4 8236 B12R1.1879 COc1ccnc(c1C=O)SC 62a_200000210301_100009860067 [0,2,0,0,0,0|1,1,0]=4 8237 B12R1.1879 COc1ccnc(c1C=O)S[13CH3] 62a_200025704644_100009860067 [0,2,0,0,0,0|1,1,0]=4 8238 B12R1.1879 COc1ccnc(c1SC)OC 62a_100010114374_200000210301 [0,2,0,0,0,0|1,0,0]=3 8239 B12R1.1879 COc1ccnc(c1SC)OC 62a_200000210301_100010114374 [0,2,0,0,0,0|1,0,0]=3 8240 B12R1.1879 COc1ccnc(c1S[13CH3])OC 62a_100010114374_200025704644 [0,2,0,0,0,0|1,0,0]=3 8241 B12R1.1879 COc1ccnc(c1S[13CH3])OC 62a_200025704644_100010114374 [0,2,0,0,0,0|1,0,0]=3 8242 B12R1.1879 COc1cncc(c1SC)OC 62a_200000210301_200010191558 [0,2,0,0,0,0|1,0,0]=3 8243 B12R1.1879 COc1cncc(c1SC)OC 62a_200010191558_200000210301 [0,2,0,0,0,0|1,0,0]=3 8244 B12R1.1879 COc1cncc(c1S[13CH3])OC 62a_200010191558_200025704644 [0,2,0,0,0,0|1,0,0]=3 8245 B12R1.1879 COc1cncc(c1S[13CH3])OC 62a_200025704644_200010191558 [0,2,0,0,0,0|1,0,0]=3 8246 B12R1.1879 COc1cnnc(c1SC)OC 62a_200000210301_100009871623 [0,2,0,0,0,0|2,0,0]=4 8247 B12R1.1879 COc1cnnc(c1S[13CH3])OC 62a_200025704644_100009871623 [0,2,0,0,0,0|2,0,0]=4 8248 B12R1.1879 COc1nccc(c1C#N)SC 62a_200000210301_200009870389 [0,2,0,0,0,0|1,1,0]=4 8249 B12R1.1879 COc1nccc(c1C#N)S[13CH3] 62a_200025704644_200009870389 [0,2,0,0,0,0|1,1,0]=4 8250 B12R1.1879 COc1nccc(c1C=O)SC 62a_100010160771_200000210301 [0,2,0,0,0,0|1,1,0]=4 8251 B12R1.1879 COc1nccc(c1C=O)SC 62a_200000210301_100010160771 [0,2,0,0,0,0|1,1,0]=4 8252 B12R1.1879 COc1nccc(c1C=O)S[13CH3] 62a_100010160771_200025704644 [0,2,0,0,0,0|1,1,0]=4 8253 B12R1.1879 COc1nccc(c1C=O)S[13CH3] 62a_200025704644_100010160771 [0,2,0,0,0,0|1,1,0]=4 8254 B12R1.1879 COc1ncnc(c1SC)OC 62a_100009995502_200000210301 [0,2,0,0,0,0|2,0,0]=4 8255 B12R1.1879 COc1ncnc(c1SC)OC 62a_200000210301_100009995502 [0,2,0,0,0,0|2,0,0]=4 8256 B12R1.1879 COc1ncnc(c1S[13CH3])OC 62a_100009995502_200025704644 [0,2,0,0,0,0|2,0,0]=4 8257 B12R1.1879 COc1ncnc(c1S[13CH3])OC 62a_200025704644_100009995502 [0,2,0,0,0,0|2,0,0]=4 8258 B12R1.78 C=Cc1cc(ccc1C#N)OC 271570a_100011290941_100012355471 [0,2,0,0,0,0|1,0,1]=4 8259 B12R1.78 C=Cc1cc(ccc1C=O)OC 271570a_100011290941_100000723261 [0,2,0,0,0,0|1,0,1]=4 8260 B12R1.78 C=Cc1cc(ccc1CO)OC 271570a_100011290941_100011982768 [0,2,0,0,0,0|1,0,1]=4 8261 B12R1.78 C=Cc1cc(ccc1OC)OC 271570a_100011290941_100011215452 [0,2,0,0,0,0|1,0,1]=4 8262 B12R1.78 C=Cc1ccc(c(c1)OC)C#N 271570a_100011290941_100000694671 [0,2,0,0,0,0|1,0,1]=4 8263 B12R1.78 C=Cc1ccc(c(c1)OC)C=O 271570a_100011290941_100000697075 [0,2,0,0,0,0|1,0,1]=4 8264 B12R1.78 C=Cc1ccc(c(c1)OC)CC 271570a_100011290941_200010710398 [0,2,0,0,0,0|1,0,1]=4 8265 B12R1.78 C=Cc1ccc(c(c1)OC)CO 271570a_100011290941_100011277633 [0,2,0,0,0,0|1,0,1]=4 8266 B12R1.78 C=Cc1ccc(c(c1)OC)OC 271570a_100011290941_100000187503 [0,2,0,0,0,0|1,0,1]=4 8267 B12R1.78 C=Cc1ccc(c(c1)OC)OC 34a_100011217988_200000210301 [0,2,0,0,0,0|1,0,1]=4 8268 B12R1.78 C=Cc1ccc(c(c1)OC)O[13CH3] 34a_100011217988_200025704644 [0,2,0,0,0,0|1,0,1]=4 8269 B12R1.78 C=Cc1ccc(c(c1)OC)SC 271570a_100011290941_200011001119 [0,2,0,0,0,0|1,0,1]=4 8270 B12R1.78 C=Cc1ccc(cc1C#N)OC 271570a_100011290941_100000748272 [0,2,0,0,0,0|2,0,0]=4 8271 B12R1.78 C=Cc1ccc(cc1C=O)OC 271570a_100011290941_100000691568 [0,2,0,0,0,0|2,0,0]=4 8272 B12R1.78 C=Cc1ccc(cc1CC)OC 271570a_100011290941_100000720562 [0,2,0,0,0,0|1,0,0]=3 8273 B12R1.78 C=Cc1ccc(cc1CN)OC 271570a_100011290941_100000741592 [0,2,0,0,0,0|2,0,0]=4 8274 B12R1.78 C=Cc1ccc(cc1CO)OC 271570a_100011290941_200011273942 [0,2,0,0,0,0|2,0,0]=4 8275 B12R1.78 C=Cc1ccc(cc1OC)C#N 271570a_100011290941_100012356288 [0,2,0,0,0,0|2,0,0]=4 8276 B12R1.78 C=Cc1ccc(cc1OC)C=O 271570a_100011290941_100010244714 [0,2,0,0,0,0|2,0,0]=4 8277 B12R1.78 C=Cc1ccc(cc1OC)CC 271570a_100011290941_200010710389 [0,2,0,0,0,0|1,0,0]=3 8278 B12R1.78 C=Cc1ccc(cc1OC)CO 271570a_100011290941_100010234685 [0,2,0,0,0,0|2,0,0]=4 8279 B12R1.78 C=Cc1ccc(cc1OC)OC 271570a_100011290941_100000750026 [0,2,0,0,0,0|0,0,0]=2 8280 B12R1.78 C=Cc1ccc(nc1OC)OC 271570a_100011290941_100009816055 [0,2,0,0,0,0|1,0,0]=3 8281 B12R1.78 C=Cc1cnc(cc1OC)OC 271570a_100011290941_100010191559 [0,2,0,0,0,0|1,0,0]=3 8282 B12R1.78 C=Cc1cnc(nc1OC)OC 271570a_100011290941_100011215025 [0,2,0,0,0,0|2,0,0]=4 8283 B12R1.78 CCc1cc(ccc1C=O)SC 62a_100010209654_200000210301 [0,2,0,0,0,0|1,1,0]=4 8284 B12R1.78 CCc1cc(ccc1C=O)SC 62a_200000210301_100010209654 [0,2,0,0,0,0|1,1,0]=4 8285 B12R1.78 CCc1cc(ccc1C=O)S[13CH3] 62a_100010209654_200025704644 [0,2,0,0,0,0|1,1,0]=4 8286 B12R1.78 CCc1cc(ccc1C=O)S[13CH3] 62a_200025704644_100010209654 [0,2,0,0,0,0|1,1,0]=4 8287 B12R1.78 CCc1cc(ccc1NN)SC 62a_100000700371_200000210301 [0,2,0,0,0,0|1,1,0]=4 8288 B12R1.78 CCc1cc(ccc1NN)SC 62a_200000210301_100000700371 [0,2,0,0,0,0|1,1,0]=4 8289 B12R1.78 CCc1cc(ccc1NN)S[13CH3] 62a_100000700371_200025704644 [0,2,0,0,0,0|1,1,0]=4 8290 B12R1.78 CCc1cc(ccc1NN)S[13CH3] 62a_200025704644_100000700371 [0,2,0,0,0,0|1,1,0]=4 8291 B12R1.78 CCc1cc(ccc1OC)SC 62a_200000210301_200010179862 [0,2,0,0,0,0|1,1,0]=4 8292 B12R1.78 CCc1cc(ccc1OC)SC 62a_200010179862_200000210301 [0,2,0,0,0,0|1,1,0]=4 8293 B12R1.78 CCc1cc(ccc1OC)S[13CH3] 62a_200010179862_200025704644 [0,2,0,0,0,0|1,1,0]=4 8294 B12R1.78 CCc1cc(ccc1OC)S[13CH3] 62a_200025704644_200010179862 [0,2,0,0,0,0|1,1,0]=4 8295 B12R1.78 CCc1cc(ccc1SC)OC 62a_100000720562_200000210301 [0,2,0,0,0,0|1,0,0]=3 8296 B12R1.78 CCc1cc(ccc1SC)OC 62a_200000210301_100000720562 [0,2,0,0,0,0|1,0,0]=3 8297 B12R1.78 CCc1cc(ccc1S[13CH3])OC 62a_100000720562_200025704644 [0,2,0,0,0,0|1,0,0]=3 8298 B12R1.78 CCc1cc(ccc1S[13CH3])OC 62a_200025704644_100000720562 [0,2,0,0,0,0|1,0,0]=3 8299 B12R1.78 CCc1ccc(c(c1)NC)OC 2230a_100012035449_200000210301 [0,2,0,0,0,0|2,0,0]=4 8300 B12R1.78 CCc1ccc(c(c1)NC)OC 34a_100012035449_200000210301 [0,2,0,0,0,0|2,0,0]=4 8301 B12R1.78 CCc1ccc(c(c1)N[13CH3])OC 2230a_100012035449_200025704644 [0,2,0,0,0,0|2,0,0]=4 8302 B12R1.78 CCc1ccc(c(c1)N[13CH3])OC 34a_100012035449_200025704644 [0,2,0,0,0,0|2,0,0]=4 8303 B12R1.78 CCc1ccc(c(c1)OC)OC 34a_100000186467_200000210301 [0,2,0,0,0,0|1,0,0]=3 8304 B12R1.78 CCc1ccc(c(c1)OC)OC 34a_100009844796_200000210301 [0,2,0,0,0,0|1,0,0]=3 8305 B12R1.78 CCc1ccc(c(c1)OC)OC 7a_100000186467_200000210301 [0,2,0,0,0,0|1,0,0]=3 8306 B12R1.78 CCc1ccc(c(c1)OC)OC 7a_100009844796_200000210301 [0,2,0,0,0,0|1,0,0]=3 8307 B12R1.78 CCc1ccc(c(c1)OC)O[13CH3] 34a_100000186467_200025704644 [0,2,0,0,0,0|1,0,0]=3 8308 B12R1.78 CCc1ccc(c(c1)OC)O[13CH3] 7a_100000186467_200025704644 [0,2,0,0,0,0|1,0,0]=3 8309 B12R1.78 CCc1ccc(c(c1)OC)SC 62a_200000210301_200010710389 [0,2,0,0,0,0|1,0,0]=3 8310 B12R1.78 CCc1ccc(c(c1)OC)SC 62a_200010710389_200000210301 [0,2,0,0,0,0|1,0,0]=3 8311 B12R1.78 CCc1ccc(c(c1)OC)S[13CH3] 62a_200010710389_200025704644 [0,2,0,0,0,0|1,0,0]=3 8312 B12R1.78 CCc1ccc(c(c1)OC)S[13CH3] 62a_200025704644_200010710389 [0,2,0,0,0,0|1,0,0]=3 8313 B12R1.78 CCc1ccc(c(c1)O[13CH3])OC 34a_100009844796_200025704644 [0,2,0,0,0,0|1,0,0]=3 8314 B12R1.78 CCc1ccc(c(c1)O[13CH3])OC 7a_100009844796_200025704644 [0,2,0,0,0,0|1,0,0]=3 8315 B12R1.78 CCc1ccc(c(c1)SC)C#N 62a_200000210301_100010295696 [0,2,0,0,0,0|1,1,0]=4 8316 B12R1.78 CCc1ccc(c(c1)SC)OC 62a_100010062400_200000210301 [0,2,0,0,0,0|1,1,0]=4 8317 B12R1.78 CCc1ccc(c(c1)SC)OC 62a_200000210301_100010062400 [0,2,0,0,0,0|1,1,0]=4 8318 B12R1.78 CCc1ccc(c(c1)S[13CH3])C#N 62a_200025704644_100010295696 [0,2,0,0,0,0|1,1,0]=4 8319 B12R1.78 CCc1ccc(c(c1)S[13CH3])OC 62a_100010062400_200025704644 [0,2,0,0,0,0|1,1,0]=4 8320 B12R1.78 CCc1ccc(c(c1)S[13CH3])OC 62a_200025704644_100010062400 [0,2,0,0,0,0|1,1,0]=4 8321 B12R1.78 CCc1ccc(cc1OC)SC 62a_200000210301_200010710398 [0,2,0,0,0,0|0,1,0]=3 8322 B12R1.78 CCc1ccc(cc1OC)SC 62a_200010710398_200000210301 [0,2,0,0,0,0|0,1,0]=3 8323 B12R1.78 CCc1ccc(cc1OC)S[13CH3] 62a_200010710398_200025704644 [0,2,0,0,0,0|0,1,0]=3 8324 B12R1.78 CCc1ccc(cc1OC)S[13CH3] 62a_200025704644_200010710398 [0,2,0,0,0,0|0,1,0]=3 8325 B12R1.78 CNc1cc(c(cn1)C#N)OC 27a_100102657272_100009830018 [0,2,0,0,0,0|2,0,0]=4 8326 B12R1.78 CNc1cc(ccc1C#N)OC 2230a_100000687564_200000210301 [0,2,0,0,0,0|1,0,0]=3 8327 B12R1.78 CNc1cc(ccc1C#N)OC 34a_100000687564_200000210301 [0,2,0,0,0,0|1,0,0]=3 8328 B12R1.78 CNc1cc(ccc1C#N)OC 7a_100000687564_200000210301 [0,2,0,0,0,0|1,0,0]=3 8329 B12R1.78 CNc1cc(ccc1C#N)SC 62a_200000210301_200012356631 [0,2,0,0,0,0|1,1,0]=4 8330 B12R1.78 CNc1cc(ccc1C#N)S[13CH3] 62a_200025704644_200012356631 [0,2,0,0,0,0|1,1,0]=4 8331 B12R1.78 CNc1cc(ccc1CO)OC 34a_100011998734_200000210301 [0,2,0,0,0,0|1,0,0]=3 8332 B12R1.78 CNc1cc(ccc1OC)OC 2230a_100000184736_200000210301 [0,2,0,0,0,0|1,0,0]=3 8333 B12R1.78 CNc1cc(ccc1OC)OC 34a_100000184736_200000210301 [0,2,0,0,0,0|1,0,0]=3 8334 B12R1.78 CNc1cc(ncc1C#N)OC 27a_100102657272_100000696732 [0,2,0,0,0,0|2,0,0]=4 8335 B12R1.78 CNc1ccc(c(c1)OC)C#N 34a_100011999456_200000210301 [0,2,0,0,0,0|1,0,0]=3 8336 B12R1.78 CNc1ccc(c(c1)OC)CO 34a_100012183141_200000210301 [0,2,0,0,0,0|1,0,0]=3 8337 B12R1.78 CNc1ccc(c(c1)OC)OC 34a_100000187404_200000210301 [0,2,0,0,0,0|1,0,0]=3 8338 B12R1.78 CNc1ccc(c(c1)SC)OC 62a_114948341033_200000210301 [0,2,0,0,0,0|1,1,0]=4 8339 B12R1.78 CNc1ccc(c(c1)SC)OC 62a_200000210301_114948341033 [0,2,0,0,0,0|1,1,0]=4 8340 B12R1.78 CNc1ccc(c(c1)S[13CH3])OC 62a_114948341033_200025704644 [0,2,0,0,0,0|1,1,0]=4 8341 B12R1.78 CNc1ccc(c(c1)S[13CH3])OC 62a_200025704644_114948341033 [0,2,0,0,0,0|1,1,0]=4 8342 B12R1.78 CNc1ccc(c(n1)OC)C#N 27a_100102657272_100010136633 [0,2,0,0,0,0|2,0,0]=4 8343 B12R1.78 CNc1ccc(cc1C#N)OC 34a_100011997231_200000210301 [0,2,0,0,0,0|2,0,0]=4 8344 B12R1.78 CNc1ccc(cc1CO)OC 34a_100012001277_200000210301 [0,2,0,0,0,0|2,0,0]=4 8345 B12R1.78 CNc1ccc(cc1OC)C#N 34a_100000701993_200000210301 [0,2,0,0,0,0|2,0,0]=4 8346 B12R1.78 CNc1ccc(cc1OC)CO 2230a_100000087641_200000210301 [0,2,0,0,0,0|2,0,0]=4 8347 B12R1.78 CNc1ccc(cc1OC)CO 34a_100000087641_200000210301 [0,2,0,0,0,0|2,0,0]=4 8348 B12R1.78 CNc1ccc(cc1OC)OC 2230a_100000211191_200000210301 [0,2,0,0,0,0|0,0,0]=2 8349 B12R1.78 CNc1ccc(cc1OC)OC 34a_100000211191_200000210301 [0,2,0,0,0,0|0,0,0]=2 8350 B12R1.78 CNc1ccc(cc1OC)SC 2230a_100000766855_200000210301 [0,2,0,0,0,0|0,1,0]=3 8351 B12R1.78 CNc1ccc(cc1OC)SC 34a_100000766855_200000210301 [0,2,0,0,0,0|0,1,0]=3 8352 B12R1.78 COc1cc(c(cn1)C#N)SC 62a_200000210301_100000696732 [0,2,0,0,0,0|1,1,0]=4 8353 B12R1.78 COc1cc(c(cn1)C#N)S[13CH3] 62a_200025704644_100000696732 [0,2,0,0,0,0|1,1,0]=4 8354 B12R1.78 COc1cc(c(cn1)SC)OC 62a_100010191559_200000210301 [0,2,0,0,0,0|1,0,0]=3 8355 B12R1.78 COc1cc(c(cn1)SC)OC 62a_200000210301_100010191559 [0,2,0,0,0,0|1,0,0]=3 8356 B12R1.78 COc1cc(c(cn1)S[13CH3])OC 62a_100010191559_200025704644 [0,2,0,0,0,0|1,0,0]=3 8357 B12R1.78 COc1cc(c(cn1)S[13CH3])OC 62a_200025704644_100010191559 [0,2,0,0,0,0|1,0,0]=3 8358 B12R1.78 COc1cc(c(nn1)OC)OC 34a_200010760773_200000210301 [0,2,0,0,0,0|2,0,0]=4 8359 B12R1.78 COc1cc(c(nn1)OC)O[13CH3] 34a_200010760773_200025704644 [0,2,0,0,0,0|2,0,0]=4 8360 B12R1.78 COc1cc(ccc1C#N)N[13CH3] 34a_100011999456_200025704644 [0,2,0,0,0,0|1,0,0]=3 8361 B12R1.78 COc1cc(ccc1C#N)SC 62a_200000210301_100000694671 [0,2,0,0,0,0|0,1,0]=3 8362 B12R1.78 COc1cc(ccc1C#N)S[13CH3] 62a_200025704644_100000694671 [0,2,0,0,0,0|0,1,0]=3 8363 B12R1.78 COc1cc(ccc1C=O)SC 62a_100000697075_200000210301 [0,2,0,0,0,0|0,1,0]=3 8364 B12R1.78 COc1cc(ccc1C=O)SC 62a_200000210301_100010290300 [0,2,0,0,0,0|0,1,0]=3 8365 B12R1.78 COc1cc(ccc1C=O)S[13CH3] 62a_100000697075_200025704644 [0,2,0,0,0,0|0,1,0]=3 8366 B12R1.78 COc1cc(ccc1C=O)S[13CH3] 62a_200025704644_100010290300 [0,2,0,0,0,0|0,1,0]=3 8367 B12R1.78 COc1cc(ccc1CO)CO 34a_200010669990_200000210301 [0,2,0,0,0,0|2,0,0]=4 8368 B12R1.78 COc1cc(ccc1CO)N[13CH3] 34a_100012183141_200025704644 [0,2,0,0,0,0|1,0,0]=3 8369 B12R1.78 COc1cc(ccc1CO)O[13CH3] 34a_200000116926_200025704644 [0,2,0,0,0,0|0,0,0]=2 8370 B12R1.78 COc1cc(ccc1CO)SC 62a_100011277633_200000210301 [0,2,0,0,0,0|0,1,0]=3 8371 B12R1.78 COc1cc(ccc1CO)SC 62a_200000210301_100011277633 [0,2,0,0,0,0|0,1,0]=3 8372 B12R1.78 COc1cc(ccc1CO)S[13CH3] 62a_100011277633_200025704644 [0,2,0,0,0,0|0,1,0]=3 8373 B12R1.78 COc1cc(ccc1CO)S[13CH3] 62a_200025704644_100011277633 [0,2,0,0,0,0|0,1,0]=3 8374 B12R1.78 COc1cc(ccc1N[13CH3])C#N 34a_100000701993_200025704644 [0,2,0,0,0,0|2,0,0]=4 8375 B12R1.78 COc1cc(ccc1N[13CH3])CO 2230a_100000087641_200025704644 [0,2,0,0,0,0|2,0,0]=4 8376 B12R1.78 COc1cc(ccc1N[13CH3])CO 34a_100000087641_200025704644 [0,2,0,0,0,0|2,0,0]=4 8377 B12R1.78 COc1cc(ccc1N[13CH3])SC 2230a_100000766855_200025704644 [0,2,0,0,0,0|0,1,0]=3 8378 B12R1.78 COc1cc(ccc1N[13CH3])SC 34a_100000766855_200025704644 [0,2,0,0,0,0|0,1,0]=3 8379 B12R1.78 COc1cc(ccc1O[13CH3])C#N 34a_100000184589_200025704644 [0,2,0,0,0,0|2,0,0]=4 8380 B12R1.78 COc1cc(ccc1O[13CH3])C#N 7a_100000184589_200025704644 [0,2,0,0,0,0|2,0,0]=4 8381 B12R1.78 COc1cc(ccc1O[13CH3])CN 34a_100000185554_200025704644 [0,2,0,0,0,0|2,0,0]=4 8382 B12R1.78 COc1cc(ccc1SC)C#N 62a_200000210301_100012356288 [0,2,0,0,0,0|2,0,0]=4 8383 B12R1.78 COc1cc(ccc1SC)C=O 62a_100010244714_200000210301 [0,2,0,0,0,0|2,0,0]=4 8384 B12R1.78 COc1cc(ccc1SC)C=O 62a_200000210301_100010244714 [0,2,0,0,0,0|2,0,0]=4 8385 B12R1.78 COc1cc(ccc1SC)CO 62a_100010234685_200000210301 [0,2,0,0,0,0|2,0,0]=4 8386 B12R1.78 COc1cc(ccc1SC)CO 62a_200000210301_100010234685 [0,2,0,0,0,0|2,0,0]=4 8387 B12R1.78 COc1cc(ccc1SC)SC 62a_200011001119_200000210301 [0,2,0,0,0,0|0,1,0]=3 8388 B12R1.78 COc1cc(ccc1SC)S[13CH3] 62a_200011001119_200025704644 [0,2,0,0,0,0|0,1,0]=3 8389 B12R1.78 COc1cc(ccc1S[13CH3])C#N 62a_200025704644_100012356288 [0,2,0,0,0,0|2,0,0]=4 8390 B12R1.78 COc1cc(ccc1S[13CH3])C=O 62a_100010244714_200025704644 [0,2,0,0,0,0|2,0,0]=4 8391 B12R1.78 COc1cc(ccc1S[13CH3])C=O 62a_200025704644_100010244714 [0,2,0,0,0,0|2,0,0]=4 8392 B12R1.78 COc1cc(ccc1S[13CH3])CO 62a_100010234685_200025704644 [0,2,0,0,0,0|2,0,0]=4 8393 B12R1.78 COc1cc(ccc1S[13CH3])CO 62a_200025704644_100010234685 [0,2,0,0,0,0|2,0,0]=4 8394 B12R1.78 COc1cc(cnc1C#N)SC 62a_200000210301_100000719880 [0,2,0,0,0,0|1,1,0]=4 8395 B12R1.78 COc1cc(cnc1C#N)S[13CH3] 62a_200025704644_100000719880 [0,2,0,0,0,0|1,1,0]=4 8396 B12R1.78 COc1cc(cnc1C=O)SC 62a_100010246152_200000210301 [0,2,0,0,0,0|1,1,0]=4 8397 B12R1.78 COc1cc(cnc1C=O)SC 62a_200000210301_100010246152 [0,2,0,0,0,0|1,1,0]=4 8398 B12R1.78 COc1cc(cnc1C=O)S[13CH3] 62a_100010246152_200025704644 [0,2,0,0,0,0|1,1,0]=4 8399 B12R1.78 COc1cc(cnc1C=O)S[13CH3] 62a_200025704644_100010246152 [0,2,0,0,0,0|1,1,0]=4 8400 B12R1.78 COc1cc(cnc1CO)SC 62a_200000210301_200010246159 [0,2,0,0,0,0|1,1,0]=4 8401 B12R1.78 COc1cc(cnc1CO)SC 62a_200010246159_200000210301 [0,2,0,0,0,0|1,1,0]=4 8402 B12R1.78 COc1cc(cnc1CO)S[13CH3] 62a_200010246159_200025704644 [0,2,0,0,0,0|1,1,0]=4 8403 B12R1.78 COc1cc(cnc1CO)S[13CH3] 62a_200025704644_200010246159 [0,2,0,0,0,0|1,1,0]=4 8404 B12R1.78 COc1cc(cnc1OC)SC 62a_200000210301_100010234541 [0,2,0,0,0,0|1,1,0]=4 8405 B12R1.78 COc1cc(cnc1OC)S[13CH3] 62a_200025704644_100010234541 [0,2,0,0,0,0|1,1,0]=4 8406 B12R1.78 COc1cc(ncc1C#N)SC 62a_200000210301_100009830018 [0,2,0,0,0,0|1,1,0]=4 8407 B12R1.78 COc1cc(ncc1C#N)S[13CH3] 62a_200025704644_100009830018 [0,2,0,0,0,0|1,1,0]=4 8408 B12R1.78 COc1cc(ncc1C=O)SC 62a_100009846838_200000210301 [0,2,0,0,0,0|1,1,0]=4 8409 B12R1.78 COc1cc(ncc1C=O)SC 62a_200000210301_100009846838 [0,2,0,0,0,0|1,1,0]=4 8410 B12R1.78 COc1cc(ncc1C=O)S[13CH3] 62a_100009846838_200025704644 [0,2,0,0,0,0|1,1,0]=4 8411 B12R1.78 COc1cc(ncc1C=O)S[13CH3] 62a_200025704644_100009846838 [0,2,0,0,0,0|1,1,0]=4 8412 B12R1.78 COc1cc(ncc1CO)SC 62a_100010714672_200000210301 [0,2,0,0,0,0|1,1,0]=4 8413 B12R1.78 COc1cc(ncc1CO)SC 62a_200000210301_100010714672 [0,2,0,0,0,0|1,1,0]=4 8414 B12R1.78 COc1cc(ncc1CO)S[13CH3] 62a_100010714672_200025704644 [0,2,0,0,0,0|1,1,0]=4 8415 B12R1.78 COc1cc(ncc1CO)S[13CH3] 62a_200025704644_100010714672 [0,2,0,0,0,0|1,1,0]=4 8416 B12R1.78 COc1ccc(c(c1)C#N)C#N 34a_100000038067_200000210301 [0,2,0,0,0,0|2,0,0]=4 8417 B12R1.78 COc1ccc(c(c1)C#N)C#N 7a_100000038067_200000210301 [0,2,0,0,0,0|2,0,0]=4 8418 B12R1.78 COc1ccc(c(c1)C#N)N[13CH3] 34a_100011997231_200025704644 [0,2,0,0,0,0|2,0,0]=4 8419 B12R1.78 COc1ccc(c(c1)C#N)OC 34a_200011934229_200000210301 [0,2,0,0,0,0|2,0,0]=4 8420 B12R1.78 COc1ccc(c(c1)C#N)OC 7a_200011934229_200000210301 [0,2,0,0,0,0|2,0,0]=4 8421 B12R1.78 COc1ccc(c(c1)C#N)O[13CH3] 34a_200011934229_200025704644 [0,2,0,0,0,0|2,0,0]=4 8422 B12R1.78 COc1ccc(c(c1)C#N)O[13CH3] 7a_200011934229_200025704644 [0,2,0,0,0,0|2,0,0]=4 8423 B12R1.78 COc1ccc(c(c1)C#N)SC 62a_200000210301_100000748272 [0,2,0,0,0,0|2,0,0]=4 8424 B12R1.78 COc1ccc(c(c1)C#N)S[13CH3] 62a_200025704644_100000748272 [0,2,0,0,0,0|2,0,0]=4 8425 B12R1.78 COc1ccc(c(c1)C=O)SC 62a_100000691568_200000210301 [0,2,0,0,0,0|2,0,0]=4 8426 B12R1.78 COc1ccc(c(c1)C=O)SC 62a_200000210301_100000691568 [0,2,0,0,0,0|2,0,0]=4 8427 B12R1.78 COc1ccc(c(c1)C=O)S[13CH3] 62a_100000691568_200025704644 [0,2,0,0,0,0|2,0,0]=4 8428 B12R1.78 COc1ccc(c(c1)C=O)S[13CH3] 62a_200025704644_100000691568 [0,2,0,0,0,0|2,0,0]=4 8429 B12R1.78 COc1ccc(c(c1)CN)SC 62a_100000741592_200000210301 [0,2,0,0,0,0|2,0,0]=4 8430 B12R1.78 COc1ccc(c(c1)CN)SC 62a_200000210301_100000741592 [0,2,0,0,0,0|2,0,0]=4 8431 B12R1.78 COc1ccc(c(c1)CN)S[13CH3] 62a_100000741592_200025704644 [0,2,0,0,0,0|2,0,0]=4 8432 B12R1.78 COc1ccc(c(c1)CN)S[13CH3] 62a_200025704644_100000741592 [0,2,0,0,0,0|2,0,0]=4 8433 B12R1.78 COc1ccc(c(c1)CO)N[13CH3] 34a_100012001277_200025704644 [0,2,0,0,0,0|2,0,0]=4 8434 B12R1.78 COc1ccc(c(c1)CO)SC 62a_200000210301_200011273942 [0,2,0,0,0,0|2,0,0]=4 8435 B12R1.78 COc1ccc(c(c1)CO)SC 62a_200011273942_200000210301 [0,2,0,0,0,0|2,0,0]=4 8436 B12R1.78 COc1ccc(c(c1)CO)S[13CH3] 62a_200011273942_200025704644 [0,2,0,0,0,0|2,0,0]=4 8437 B12R1.78 COc1ccc(c(c1)CO)S[13CH3] 62a_200025704644_200011273942 [0,2,0,0,0,0|2,0,0]=4 8438 B12R1.78 COc1ccc(c(c1)N[13CH3])C#N 2230a_100000687564_200025704644 [0,2,0,0,0,0|1,0,0]=3 8439 B12R1.78 COc1ccc(c(c1)N[13CH3])C#N 34a_100000687564_200025704644 [0,2,0,0,0,0|1,0,0]=3 8440 B12R1.78 COc1ccc(c(c1)N[13CH3])C#N 7a_100000687564_200025704644 [0,2,0,0,0,0|1,0,0]=3 8441 B12R1.78 COc1ccc(c(c1)N[13CH3])CO 34a_100011998734_200025704644 [0,2,0,0,0,0|1,0,0]=3 8442 B12R1.78 COc1ccc(c(c1)N[13CH3])OC 2230a_100000184736_200025704644 [0,2,0,0,0,0|1,0,0]=3 8443 B12R1.78 COc1ccc(c(c1)N[13CH3])OC 34a_100000184736_200025704644 [0,2,0,0,0,0|1,0,0]=3 8444 B12R1.78 COc1ccc(c(c1)OC)C#N 34a_100011999188_200000210301 [0,2,0,0,0,0|0,0,0]=2 8445 B12R1.78 COc1ccc(c(c1)OC)C#N 7a_100011999188_200000210301 [0,2,0,0,0,0|0,0,0]=2 8446 B12R1.78 COc1ccc(c(c1)OC)CO 34a_200000116926_200000210301 [0,2,0,0,0,0|0,0,0]=2 8447 B12R1.78 COc1ccc(c(c1)OC)N=O 34a_200010658452_200000210301 [0,2,0,0,0,0|0,0,0]=2 8448 B12R1.78 COc1ccc(c(c1)OC)N=O 7a_200010658452_200000210301 [0,2,0,0,0,0|0,0,0]=2 8449 B12R1.78 COc1ccc(c(c1)OC)N[13CH3] 2230a_100000211191_200025704644 [0,2,0,0,0,0|0,0,0]=2 8450 B12R1.78 COc1ccc(c(c1)OC)N[13CH3] 34a_100000211191_200025704644 [0,2,0,0,0,0|0,0,0]=2 8451 B12R1.78 COc1ccc(c(c1)OC)OC 34a_100000039706_200000210301 [0,2,0,0,0,0|0,0,0]=2 8452 B12R1.78 COc1ccc(c(c1)OC)OC 34a_100000074795_200000210301 [0,2,0,0,0,0|0,0,0]=2 8453 B12R1.78 COc1ccc(c(c1)OC)OC 34a_100009840267_200000210301 [0,2,0,0,0,0|0,0,0]=2 8454 B12R1.78 COc1ccc(c(c1)OC)O[13CH3] 34a_100009840267_200025704644 [0,2,0,0,0,0|0,0,0]=2 8455 B12R1.78 COc1ccc(c(c1)OC)SC 62a_100000750026_200000210301 [0,2,0,0,0,0|0,0,0]=2 8456 B12R1.78 COc1ccc(c(c1)OC)SC 62a_200000210301_100000750026 [0,2,0,0,0,0|0,0,0]=2 8457 B12R1.78 COc1ccc(c(c1)OC)S[13CH3] 62a_100000750026_200025704644 [0,2,0,0,0,0|0,0,0]=2 8458 B12R1.78 COc1ccc(c(c1)OC)S[13CH3] 62a_200025704644_100000750026 [0,2,0,0,0,0|0,0,0]=2 8459 B12R1.78 COc1ccc(c(c1)O[13CH3])C#N 34a_100011999188_200025704644 [0,2,0,0,0,0|0,0,0]=2 8460 B12R1.78 COc1ccc(c(c1)O[13CH3])C#N 7a_100011999188_200025704644 [0,2,0,0,0,0|0,0,0]=2 8461 B12R1.78 COc1ccc(c(c1)O[13CH3])N=O 34a_200010658452_200025704644 [0,2,0,0,0,0|0,0,0]=2 8462 B12R1.78 COc1ccc(c(c1)O[13CH3])N=O 7a_200010658452_200025704644 [0,2,0,0,0,0|0,0,0]=2 8463 B12R1.78 COc1ccc(c(c1)O[13CH3])OC 34a_100000074795_200025704644 [0,2,0,0,0,0|0,0,0]=2 8464 B12R1.78 COc1ccc(c(c1)SC)C#N 62a_200000210301_100012355471 [0,2,0,0,0,0|0,1,0]=3 8465 B12R1.78 COc1ccc(c(c1)SC)C=O 62a_100000723261_200000210301 [0,2,0,0,0,0|0,1,0]=3 8466 B12R1.78 COc1ccc(c(c1)SC)C=O 62a_200000210301_100000723261 [0,2,0,0,0,0|0,1,0]=3 8467 B12R1.78 COc1ccc(c(c1)SC)CO 62a_100011982768_200000210301 [0,2,0,0,0,0|0,1,0]=3 8468 B12R1.78 COc1ccc(c(c1)SC)CO 62a_200000210301_100011982768 [0,2,0,0,0,0|0,1,0]=3 8469 B12R1.78 COc1ccc(c(c1)SC)OC 62a_100011215452_200000210301 [0,2,0,0,0,0|0,1,0]=3 8470 B12R1.78 COc1ccc(c(c1)SC)OC 62a_200000210301_100011215452 [0,2,0,0,0,0|0,1,0]=3 8471 B12R1.78 COc1ccc(c(c1)S[13CH3])C#N 62a_200025704644_100012355471 [0,2,0,0,0,0|0,1,0]=3 8472 B12R1.78 COc1ccc(c(c1)S[13CH3])C=O 62a_100000723261_200025704644 [0,2,0,0,0,0|0,1,0]=3 8473 B12R1.78 COc1ccc(c(c1)S[13CH3])C=O 62a_200025704644_100000723261 [0,2,0,0,0,0|0,1,0]=3 8474 B12R1.78 COc1ccc(c(c1)S[13CH3])CO 62a_100011982768_200025704644 [0,2,0,0,0,0|0,1,0]=3 8475 B12R1.78 COc1ccc(c(c1)S[13CH3])CO 62a_200025704644_100011982768 [0,2,0,0,0,0|0,1,0]=3 8476 B12R1.78 COc1ccc(c(c1)S[13CH3])OC 62a_100011215452_200025704644 [0,2,0,0,0,0|0,1,0]=3 8477 B12R1.78 COc1ccc(c(c1)S[13CH3])OC 62a_200025704644_100011215452 [0,2,0,0,0,0|0,1,0]=3 8478 B12R1.78 COc1ccc(c(n1)OC)OC 34a_100000085135_200000210301 [0,2,0,0,0,0|1,0,0]=3 8479 B12R1.78 COc1ccc(c(n1)OC)O[13CH3] 34a_100000085135_200025704644 [0,2,0,0,0,0|1,0,0]=3 8480 B12R1.78 COc1ccc(c(n1)OC)SC 62a_100009816055_200000210301 [0,2,0,0,0,0|1,0,0]=3 8481 B12R1.78 COc1ccc(c(n1)OC)SC 62a_200000210301_100009816055 [0,2,0,0,0,0|1,0,0]=3 8482 B12R1.78 COc1ccc(c(n1)OC)S[13CH3] 62a_100009816055_200025704644 [0,2,0,0,0,0|1,0,0]=3 8483 B12R1.78 COc1ccc(c(n1)OC)S[13CH3] 62a_200025704644_100009816055 [0,2,0,0,0,0|1,0,0]=3 8484 B12R1.78 COc1ccc(c(n1)SC)C=O 62a_100012351648_200000210301 [0,2,0,0,0,0|1,1,0]=4 8485 B12R1.78 COc1ccc(c(n1)SC)C=O 62a_200000210301_100012351648 [0,2,0,0,0,0|1,1,0]=4 8486 B12R1.78 COc1ccc(c(n1)SC)CO 62a_100009885603_200000210301 [0,2,0,0,0,0|1,1,0]=4 8487 B12R1.78 COc1ccc(c(n1)SC)CO 62a_200000210301_100009885603 [0,2,0,0,0,0|1,1,0]=4 8488 B12R1.78 COc1ccc(c(n1)S[13CH3])C=O 62a_100012351648_200025704644 [0,2,0,0,0,0|1,1,0]=4 8489 B12R1.78 COc1ccc(c(n1)S[13CH3])C=O 62a_200025704644_100012351648 [0,2,0,0,0,0|1,1,0]=4 8490 B12R1.78 COc1ccc(c(n1)S[13CH3])CO 62a_100009885603_200025704644 [0,2,0,0,0,0|1,1,0]=4 8491 B12R1.78 COc1ccc(c(n1)S[13CH3])CO 62a_200025704644_100009885603 [0,2,0,0,0,0|1,1,0]=4 8492 B12R1.78 COc1ccc(cc1OC)C#N 34a_100000184589_200000210301 [0,2,0,0,0,0|2,0,0]=4 8493 B12R1.78 COc1ccc(cc1OC)C#N 34a_100000188611_200000210301 [0,2,0,0,0,0|2,0,0]=4 8494 B12R1.78 COc1ccc(cc1OC)C#N 7a_100000184589_200000210301 [0,2,0,0,0,0|2,0,0]=4 8495 B12R1.78 COc1ccc(cc1OC)C#N 7a_100000188611_200000210301 [0,2,0,0,0,0|2,0,0]=4 8496 B12R1.78 COc1ccc(cc1OC)CN 34a_100000185554_200000210301 [0,2,0,0,0,0|2,0,0]=4 8497 B12R1.78 COc1ccc(cc1OC)CN 34a_100000740000_200000210301 [0,2,0,0,0,0|2,0,0]=4 8498 B12R1.78 COc1ccc(cc1OC)CO 34a_100011215239_200000210301 [0,2,0,0,0,0|2,0,0]=4 8499 B12R1.78 COc1ccc(cc1OC)N[13CH3] 34a_100000187404_200025704644 [0,2,0,0,0,0|1,0,0]=3 8500 B12R1.78 COc1ccc(cc1OC)O[13CH3] 34a_100000039706_200025704644 [0,2,0,0,0,0|0,0,0]=2 8501 B12R1.78 COc1ccc(cc1OC)SC 62a_200000210301_100011356967 [0,2,0,0,0,0|0,1,0]=3 8502 B12R1.78 COc1ccc(cc1OC)S[13CH3] 62a_200025704644_100011356967 [0,2,0,0,0,0|0,1,0]=3 8503 B12R1.78 COc1ccc(cc1O[13CH3])C#N 34a_100000188611_200025704644 [0,2,0,0,0,0|2,0,0]=4 8504 B12R1.78 COc1ccc(cc1O[13CH3])C#N 7a_100000188611_200025704644 [0,2,0,0,0,0|2,0,0]=4 8505 B12R1.78 COc1ccc(cc1O[13CH3])CN 34a_100000740000_200025704644 [0,2,0,0,0,0|2,0,0]=4 8506 B12R1.78 COc1ccc(cc1O[13CH3])CO 34a_100011215239_200025704644 [0,2,0,0,0,0|2,0,0]=4 8507 B12R1.78 COc1ccc(cc1SC)SC 62a_200009892704_200000210301 [0,2,0,0,0,0|0,2,0]=4 8508 B12R1.78 COc1ccc(cc1SC)S[13CH3] 62a_200009892704_200025704644 [0,2,0,0,0,0|0,2,0]=4 8509 B12R1.78 COc1ccc(nc1OC)SC 62a_200000210301_100010214848 [0,2,0,0,0,0|1,1,0]=4 8510 B12R1.78 COc1ccc(nc1OC)S[13CH3] 62a_200025704644_100010214848 [0,2,0,0,0,0|1,1,0]=4 8511 B12R1.78 COc1cnc(c(c1)SC)C#N 62a_200000210301_100010187620 [0,2,0,0,0,0|1,1,0]=4 8512 B12R1.78 COc1cnc(c(c1)SC)C=O 62a_200000210301_200010135874 [0,2,0,0,0,0|1,1,0]=4 8513 B12R1.78 COc1cnc(c(c1)SC)C=O 62a_200010135874_200000210301 [0,2,0,0,0,0|1,1,0]=4 8514 B12R1.78 COc1cnc(c(c1)S[13CH3])C#N 62a_200025704644_100010187620 [0,2,0,0,0,0|1,1,0]=4 8515 B12R1.78 COc1cnc(c(c1)S[13CH3])C=O 62a_200010135874_200025704644 [0,2,0,0,0,0|1,1,0]=4 8516 B12R1.78 COc1cnc(c(c1)S[13CH3])C=O 62a_200025704644_200010135874 [0,2,0,0,0,0|1,1,0]=4 8517 B12R1.78 COc1nc(ccc1C#N)SC 62a_200000210301_100000708423 [0,2,0,0,0,0|1,1,0]=4 8518 B12R1.78 COc1nc(ccc1C#N)S[13CH3] 62a_200025704644_100000708423 [0,2,0,0,0,0|1,1,0]=4 8519 B12R1.78 COc1nc(ccc1C=O)SC 62a_100009864722_200000210301 [0,2,0,0,0,0|1,1,0]=4 8520 B12R1.78 COc1nc(ccc1C=O)SC 62a_200000210301_100009864722 [0,2,0,0,0,0|1,1,0]=4 8521 B12R1.78 COc1nc(ccc1C=O)S[13CH3] 62a_100009864722_200025704644 [0,2,0,0,0,0|1,1,0]=4 8522 B12R1.78 COc1nc(ccc1C=O)S[13CH3] 62a_200025704644_100009864722 [0,2,0,0,0,0|1,1,0]=4 8523 B12R1.78 COc1nc(ccc1CN)SC 62a_100015687481_200000210301 [0,2,0,0,0,0|1,1,0]=4 8524 B12R1.78 COc1nc(ccc1CN)SC 62a_200000210301_100015687481 [0,2,0,0,0,0|1,1,0]=4 8525 B12R1.78 COc1nc(ccc1CN)S[13CH3] 62a_100015687481_200025704644 [0,2,0,0,0,0|1,1,0]=4 8526 B12R1.78 COc1nc(ccc1CN)S[13CH3] 62a_200025704644_100015687481 [0,2,0,0,0,0|1,1,0]=4 8527 B12R1.78 COc1nc(ccc1CO)SC 62a_100010988397_200000210301 [0,2,0,0,0,0|1,1,0]=4 8528 B12R1.78 COc1nc(ccc1CO)SC 62a_200000210301_100010988397 [0,2,0,0,0,0|1,1,0]=4 8529 B12R1.78 COc1nc(ccc1CO)S[13CH3] 62a_100010988397_200025704644 [0,2,0,0,0,0|1,1,0]=4 8530 B12R1.78 COc1nc(ccc1CO)S[13CH3] 62a_200025704644_100010988397 [0,2,0,0,0,0|1,1,0]=4 8531 B12R1.78 COc1ncc(c(n1)OC)SC 62a_100011215025_200000210301 [0,2,0,0,0,0|2,0,0]=4 8532 B12R1.78 COc1ncc(c(n1)OC)SC 62a_200000210301_100011215025 [0,2,0,0,0,0|2,0,0]=4 8533 B12R1.78 COc1ncc(c(n1)OC)S[13CH3] 62a_100011215025_200025704644 [0,2,0,0,0,0|2,0,0]=4 8534 B12R1.78 COc1ncc(c(n1)OC)S[13CH3] 62a_200025704644_100011215025 [0,2,0,0,0,0|2,0,0]=4 8535 B12R1.78 [13CH3]Oc1cc(ccc1CO)CO 34a_200010669990_200025704644 [0,2,0,0,0,0|2,0,0]=4 8536 B12R1.78 [13CH3]Oc1ccc(c(c1)C#N)C#N 34a_100000038067_200025704644 [0,2,0,0,0,0|2,0,0]=4 8537 B12R1.78 [13CH3]Oc1ccc(c(c1)C#N)C#N 7a_100000038067_200025704644 [0,2,0,0,0,0|2,0,0]=4 8538 B12R1.449 C=Cc1cc(c(cc1Br)Br)OC 271570a_100011290941_200014006352 [0,2,0,0,0,0|1,0,1]=4 8539 B12R1.449 C=Cc1cc(c(cc1C)F)OC 271570a_100011290941_100011009880 [0,2,0,0,0,0|1,0,1]=4 8540 B12R1.449 C=Cc1cc(c(cc1C)N)OC 271570a_100011290941_100010141321 [0,2,0,0,0,0|1,0,1]=4 8541 B12R1.449 C=Cc1cc(c(cc1F)Cl)OC 271570a_100011290941_100010739614 [0,2,0,0,0,0|1,0,1]=4 8542 B12R1.449 C=Cc1cc(c(cc1F)F)OC 271570a_100011290941_200015541288 [0,2,0,0,0,0|1,0,1]=4 8543 B12R1.449 C=Cc1cc(c(cc1F)N)OC 271570a_100011290941_100012766639 [0,2,0,0,0,0|1,0,1]=4 8544 B12R1.449 C=Cc1cc(c(cc1F)O)OC 271570a_100011290941_100010189133 [0,2,0,0,0,0|1,0,1]=4 8545 B12R1.449 C=Cc1cc(c(cc1N)C)OC 271570a_100011290941_200010584344 [0,2,0,0,0,0|1,0,1]=4 8546 B12R1.449 C=Cc1cc(c(cc1N)F)OC 271570a_100011290941_100010365326 [0,2,0,0,0,0|1,0,1]=4 8547 B12R1.449 CCc1cc(c(cc1Br)F)OC 34a_100011156610_200000210301 [0,2,0,0,0,0|1,0,0]=3 8548 B12R1.449 CCc1cc(c(cc1Br)F)OC 7a_100011156610_200000210301 [0,2,0,0,0,0|1,0,0]=3 8549 B12R1.449 CCc1cc(c(cc1Br)F)O[13CH3] 34a_100011156610_200025704644 [0,2,0,0,0,0|1,0,0]=3 8550 B12R1.449 CCc1cc(c(cc1Br)F)O[13CH3] 7a_100011156610_200025704644 [0,2,0,0,0,0|1,0,0]=3 8551 B12R1.449 CNc1cc(c(cc1Br)Br)OC 34a_100000718616_200000210301 [0,2,0,0,0,0|1,0,0]=3 8552 B12R1.449 CNc1cc(c(cc1Br)Br)OC 7a_100000718616_200000210301 [0,2,0,0,0,0|1,0,0]=3 8553 B12R1.449 CNc1cc(c(cc1Br)C)OC 34a_100010244135_200000210301 [0,2,0,0,0,0|1,0,0]=3 8554 B12R1.449 CNc1cc(c(cc1Br)C)OC 7a_100010244135_200000210301 [0,2,0,0,0,0|1,0,0]=3 8555 B12R1.449 CNc1cc(c(cc1Br)Cl)OC 34a_100013022580_200000210301 [0,2,0,0,0,0|1,0,0]=3 8556 B12R1.449 CNc1cc(c(cc1Br)Cl)OC 7a_100013022580_200000210301 [0,2,0,0,0,0|1,0,0]=3 8557 B12R1.449 CNc1cc(c(cc1Br)F)OC 34a_100010208193_200000210301 [0,2,0,0,0,0|1,0,0]=3 8558 B12R1.449 CNc1cc(c(cc1Br)F)OC 7a_100010208193_200000210301 [0,2,0,0,0,0|1,0,0]=3 8559 B12R1.449 CNc1cc(c(cc1C)Br)OC 34a_100010232211_200000210301 [0,2,0,0,0,0|1,0,0]=3 8560 B12R1.449 CNc1cc(c(cc1C)Br)OC 7a_100010232211_200000210301 [0,2,0,0,0,0|1,0,0]=3 8561 B12R1.449 CNc1cc(c(cc1C)Cl)OC 2230a_100009858536_200000210301 [0,2,0,0,0,0|1,0,0]=3 8562 B12R1.449 CNc1cc(c(cc1C)Cl)OC 34a_100009858536_200000210301 [0,2,0,0,0,0|1,0,0]=3 8563 B12R1.449 CNc1cc(c(cc1C)Cl)OC 7a_100009858536_200000210301 [0,2,0,0,0,0|1,0,0]=3 8564 B12R1.449 CNc1cc(c(cc1Cl)Br)OC 34a_100012361290_200000210301 [0,2,0,0,0,0|1,0,0]=3 8565 B12R1.449 CNc1cc(c(cc1Cl)Br)OC 7a_100012361290_200000210301 [0,2,0,0,0,0|1,0,0]=3 8566 B12R1.449 CNc1cc(c(cc1Cl)Cl)OC 34a_100011830341_200000210301 [0,2,0,0,0,0|1,0,0]=3 8567 B12R1.449 CNc1cc(c(cc1Cl)F)OC 34a_100009958774_200000210301 [0,2,0,0,0,0|1,0,0]=3 8568 B12R1.449 CNc1cc(c(cc1Cl)F)OC 7a_100009958774_200000210301 [0,2,0,0,0,0|1,0,0]=3 8569 B12R1.449 CNc1cc(c(cc1F)Cl)OC 34a_100009872666_200000210301 [0,2,0,0,0,0|1,0,0]=3 8570 B12R1.449 CNc1cc(c(cc1F)Cl)OC 7a_100009872666_200000210301 [0,2,0,0,0,0|1,0,0]=3 8571 B12R1.449 CNc1cc(c(cc1N)F)SC 62a_100013631271_200000210301 [0,2,0,0,0,0|1,1,0]=4 8572 B12R1.449 CNc1cc(c(cc1N)F)SC 62a_200000210301_100013631271 [0,2,0,0,0,0|1,1,0]=4 8573 B12R1.449 CNc1cc(c(cc1N)F)S[13CH3] 62a_100013631271_200025704644 [0,2,0,0,0,0|1,1,0]=4 8574 B12R1.449 CNc1cc(c(cc1N)F)S[13CH3] 62a_200025704644_100013631271 [0,2,0,0,0,0|1,1,0]=4 8575 B12R1.449 COc1cc(c(cc1Br)Br)N[13CH3] 34a_100000718616_200025704644 [0,2,0,0,0,0|1,0,0]=3 8576 B12R1.449 COc1cc(c(cc1Br)Br)N[13CH3] 7a_100000718616_200025704644 [0,2,0,0,0,0|1,0,0]=3 8577 B12R1.449 COc1cc(c(cc1Br)Br)SC 62a_200000210301_200014006352 [0,2,0,0,0,0|0,1,0]=3 8578 B12R1.449 COc1cc(c(cc1Br)Br)SC 62a_200014006352_200000210301 [0,2,0,0,0,0|0,1,0]=3 8579 B12R1.449 COc1cc(c(cc1Br)Br)S[13CH3] 62a_200014006352_200025704644 [0,2,0,0,0,0|0,1,0]=3 8580 B12R1.449 COc1cc(c(cc1Br)Br)S[13CH3] 62a_200025704644_200014006352 [0,2,0,0,0,0|0,1,0]=3 8581 B12R1.449 COc1cc(c(cc1Br)C)N[13CH3] 34a_100010232211_200025704644 [0,2,0,0,0,0|1,0,0]=3 8582 B12R1.449 COc1cc(c(cc1Br)C)N[13CH3] 7a_100010232211_200025704644 [0,2,0,0,0,0|1,0,0]=3 8583 B12R1.449 COc1cc(c(cc1Br)Cl)N[13CH3] 34a_100012361290_200025704644 [0,2,0,0,0,0|1,0,0]=3 8584 B12R1.449 COc1cc(c(cc1Br)Cl)N[13CH3] 7a_100012361290_200025704644 [0,2,0,0,0,0|1,0,0]=3 8585 B12R1.449 COc1cc(c(cc1C)Br)N[13CH3] 34a_100010244135_200025704644 [0,2,0,0,0,0|1,0,0]=3 8586 B12R1.449 COc1cc(c(cc1C)Br)N[13CH3] 7a_100010244135_200025704644 [0,2,0,0,0,0|1,0,0]=3 8587 B12R1.449 COc1cc(c(cc1C)N)SC 62a_200000210301_200010584344 [0,2,0,0,0,0|0,1,0]=3 8588 B12R1.449 COc1cc(c(cc1C)N)SC 62a_200010584344_200000210301 [0,2,0,0,0,0|0,1,0]=3 8589 B12R1.449 COc1cc(c(cc1C)N)S[13CH3] 62a_200010584344_200025704644 [0,2,0,0,0,0|0,1,0]=3 8590 B12R1.449 COc1cc(c(cc1C)N)S[13CH3] 62a_200025704644_200010584344 [0,2,0,0,0,0|0,1,0]=3 8591 B12R1.449 COc1cc(c(cc1Cl)Br)N[13CH3] 34a_100013022580_200025704644 [0,2,0,0,0,0|1,0,0]=3 8592 B12R1.449 COc1cc(c(cc1Cl)Br)N[13CH3] 7a_100013022580_200025704644 [0,2,0,0,0,0|1,0,0]=3 8593 B12R1.449 COc1cc(c(cc1Cl)C)N[13CH3] 2230a_100009858536_200025704644 [0,2,0,0,0,0|1,0,0]=3 8594 B12R1.449 COc1cc(c(cc1Cl)C)N[13CH3] 34a_100009858536_200025704644 [0,2,0,0,0,0|1,0,0]=3 8595 B12R1.449 COc1cc(c(cc1Cl)C)N[13CH3] 7a_100009858536_200025704644 [0,2,0,0,0,0|1,0,0]=3 8596 B12R1.449 COc1cc(c(cc1Cl)Cl)N[13CH3] 34a_100011830341_200025704644 [0,2,0,0,0,0|1,0,0]=3 8597 B12R1.449 COc1cc(c(cc1Cl)F)N[13CH3] 34a_100009872666_200025704644 [0,2,0,0,0,0|1,0,0]=3 8598 B12R1.449 COc1cc(c(cc1Cl)F)N[13CH3] 7a_100009872666_200025704644 [0,2,0,0,0,0|1,0,0]=3 8599 B12R1.449 COc1cc(c(cc1Cl)F)SC 62a_100010739614_200000210301 [0,2,0,0,0,0|0,1,0]=3 8600 B12R1.449 COc1cc(c(cc1Cl)F)SC 62a_200000210301_100010739614 [0,2,0,0,0,0|0,1,0]=3 8601 B12R1.449 COc1cc(c(cc1Cl)F)S[13CH3] 62a_100010739614_200025704644 [0,2,0,0,0,0|0,1,0]=3 8602 B12R1.449 COc1cc(c(cc1Cl)F)S[13CH3] 62a_200025704644_100010739614 [0,2,0,0,0,0|0,1,0]=3 8603 B12R1.449 COc1cc(c(cc1F)Br)N[13CH3] 34a_100010208193_200025704644 [0,2,0,0,0,0|1,0,0]=3 8604 B12R1.449 COc1cc(c(cc1F)Br)N[13CH3] 7a_100010208193_200025704644 [0,2,0,0,0,0|1,0,0]=3 8605 B12R1.449 COc1cc(c(cc1F)C)SC 62a_100011009880_200000210301 [0,2,0,0,0,0|0,1,0]=3 8606 B12R1.449 COc1cc(c(cc1F)C)SC 62a_200000210301_100011009880 [0,2,0,0,0,0|0,1,0]=3 8607 B12R1.449 COc1cc(c(cc1F)C)S[13CH3] 62a_100011009880_200025704644 [0,2,0,0,0,0|0,1,0]=3 8608 B12R1.449 COc1cc(c(cc1F)C)S[13CH3] 62a_200025704644_100011009880 [0,2,0,0,0,0|0,1,0]=3 8609 B12R1.449 COc1cc(c(cc1F)Cl)N[13CH3] 34a_100009958774_200025704644 [0,2,0,0,0,0|1,0,0]=3 8610 B12R1.449 COc1cc(c(cc1F)Cl)N[13CH3] 7a_100009958774_200025704644 [0,2,0,0,0,0|1,0,0]=3 8611 B12R1.449 COc1cc(c(cc1F)F)C#N 34a_100015806265_200000210301 [0,2,0,0,0,0|2,0,0]=4 8612 B12R1.449 COc1cc(c(cc1F)F)C#N 7a_100015806265_200000210301 [0,2,0,0,0,0|2,0,0]=4 8613 B12R1.449 COc1cc(c(cc1F)F)SC 62a_200000210301_200015541288 [0,2,0,0,0,0|0,1,0]=3 8614 B12R1.449 COc1cc(c(cc1F)F)SC 62a_200015541288_200000210301 [0,2,0,0,0,0|0,1,0]=3 8615 B12R1.449 COc1cc(c(cc1F)F)S[13CH3] 62a_200015541288_200025704644 [0,2,0,0,0,0|0,1,0]=3 8616 B12R1.449 COc1cc(c(cc1F)F)S[13CH3] 62a_200025704644_200015541288 [0,2,0,0,0,0|0,1,0]=3 8617 B12R1.449 COc1cc(c(cc1F)N)SC 62a_100010365326_200000210301 [0,2,0,0,0,0|0,1,0]=3 8618 B12R1.449 COc1cc(c(cc1F)N)SC 62a_200000210301_100010365326 [0,2,0,0,0,0|0,1,0]=3 8619 B12R1.449 COc1cc(c(cc1F)N)S[13CH3] 62a_100010365326_200025704644 [0,2,0,0,0,0|0,1,0]=3 8620 B12R1.449 COc1cc(c(cc1F)N)S[13CH3] 62a_200025704644_100010365326 [0,2,0,0,0,0|0,1,0]=3 8621 B12R1.449 COc1cc(c(cc1F)O)C=O 271570a_203496583355_100010366953 [0,2,0,0,0,0|2,0,0]=4 8622 B12R1.449 COc1cc(c(cc1N)C)SC 62a_100010141321_200000210301 [0,2,0,0,0,0|0,1,0]=3 8623 B12R1.449 COc1cc(c(cc1N)C)SC 62a_200000210301_100010141321 [0,2,0,0,0,0|0,1,0]=3 8624 B12R1.449 COc1cc(c(cc1N)C)S[13CH3] 62a_100010141321_200025704644 [0,2,0,0,0,0|0,1,0]=3 8625 B12R1.449 COc1cc(c(cc1N)C)S[13CH3] 62a_200025704644_100010141321 [0,2,0,0,0,0|0,1,0]=3 8626 B12R1.449 COc1cc(c(cc1N)F)SC 62a_100012766639_200000210301 [0,2,0,0,0,0|0,1,0]=3 8627 B12R1.449 COc1cc(c(cc1N)F)SC 62a_200000210301_100012766639 [0,2,0,0,0,0|0,1,0]=3 8628 B12R1.449 COc1cc(c(cc1N)F)S[13CH3] 62a_100012766639_200025704644 [0,2,0,0,0,0|0,1,0]=3 8629 B12R1.449 COc1cc(c(cc1N)F)S[13CH3] 62a_200025704644_100012766639 [0,2,0,0,0,0|0,1,0]=3 8630 B12R1.449 COc1cc(c(cc1O)F)C=O 271570a_203496583355_100000695681 [0,2,0,0,0,0|2,0,0]=4 8631 B12R1.449 COc1cc(c(cc1O)F)OC 271570a_203496583355_100010141368 [0,2,0,0,0,0|0,0,0]=2 8632 B12R1.449 COc1cc(c(cc1O)F)SC 62a_200000210301_100010189133 [0,2,0,0,0,0|0,1,0]=3 8633 B12R1.449 COc1cc(c(cc1O)F)S[13CH3] 62a_200025704644_100010189133 [0,2,0,0,0,0|0,1,0]=3 8634 B12R1.449 COc1cc(c(cc1O)O)C=O 271570a_203496583355_100000741691 [0,2,0,0,0,0|2,0,0]=4 8635 B12R1.449 COc1cc(c(cc1O)O)C=O 271570a_203496583355_100010762608 [0,2,0,0,0,0|2,0,0]=4 8636 B12R1.449 COc1cc(c(nc1N)C)SC 62a_200000210301_200010892190 [0,2,0,0,0,0|1,1,0]=4 8637 B12R1.449 COc1cc(c(nc1N)C)SC 62a_200010892190_200000210301 [0,2,0,0,0,0|1,1,0]=4 8638 B12R1.449 COc1cc(c(nc1N)C)S[13CH3] 62a_200010892190_200025704644 [0,2,0,0,0,0|1,1,0]=4 8639 B12R1.449 COc1cc(c(nc1N)C)S[13CH3] 62a_200025704644_200010892190 [0,2,0,0,0,0|1,1,0]=4 8640 B12R1.449 COc1nc(c(cc1C)O)OC 271570a_203496583355_100021123867 [0,2,0,0,0,0|1,0,0]=3 8641 B12R1.449 COc1nc(c(cc1O)Br)OC 271570a_203496583355_100025726379 [0,2,0,0,0,0|1,0,0]=3 8642 B12R1.449 [13CH3]Oc1cc(c(cc1F)F)C#N 34a_100015806265_200025704644 [0,2,0,0,0,0|2,0,0]=4 8643 B12R1.449 [13CH3]Oc1cc(c(cc1F)F)C#N 7a_100015806265_200025704644 [0,2,0,0,0,0|2,0,0]=4 8644 B10R1.20 C=Cc1ccccc1OC 271570a_100011290941_100000174000 [0,0,1,1,0,0|1,0,1]=4 8645 B10R1.20 C=Cc1cnccc1OC 271570a_100011290941_100011997281 [0,0,1,1,0,0|1,0,1]=4 8646 B10R1.20 C=Cc1ncccc1OC 271570a_100011290941_100000690851 [0,0,1,1,0,0|2,0,0]=4 8647 B10R2.31 Oc1ccc2c(c1)CC2 271570a_203496583355_100009818592 [1,0,0,1,0,0|1,0,0]=3 8648 B12R2.43 CCc1cccc(c1)C2CC2 271570a_100011220607_100000684523 [0,1,0,1,0,0|2,0,0]=4 8649 B12R2.43 CNc1cccc(c1)C2CC2 271570a_100011220607_100000219648 [0,1,0,1,0,0|2,0,0]=4 8650 B12R2.43 CNc1cccc(c1)C2CC2 34a_100025755985_200000210301 [0,1,0,1,0,0|2,0,0]=4 8651 B12R2.43 CNc1cccc(c1)C2CC2 7a_100025755985_200000210301 [0,1,0,1,0,0|2,0,0]=4 8652 B12R2.43 COc1cc(ccn1)C2CC2 271570a_100011220607_100000117307 [0,1,0,1,0,0|2,0,0]=4 8653 B12R2.43 COc1cccc(c1)C2CC2 271570a_100011220607_100000170001 [0,1,0,1,0,0|1,0,0]=3 8654 B12R2.43 COc1cccc(c1)C2CC2 34a_100011787725_200000210301 [0,1,0,1,0,0|1,0,0]=3 8655 B12R2.43 COc1cccc(c1)C2CC2 7a_100011787725_200000210301 [0,1,0,1,0,0|1,0,0]=3 8656 B12R2.43 COc1cccc(n1)C2CC2 271570a_100011220607_100000760917 [0,1,0,1,0,0|2,0,0]=4 8657 B12R2.43 COc1ccnc(c1)C2CC2 271570a_100011220607_100011216251 [0,1,0,1,0,0|2,0,0]=4 8658 B12R2.43 COc1cncc(c1)C2CC2 271570a_100011220607_100000684773 [0,1,0,1,0,0|2,0,0]=4 8659 B12R2.43 CSc1cccc(c1)C2CC2 271570a_100011220607_100011215954 [0,1,0,1,0,0|1,1,0]=4 8660 B12R2.43 CSc1cccc(c1)C2CC2 62a_200000210301_100009816567 [0,1,0,1,0,0|1,1,0]=4 8661 B12R2.43 [13CH3]Nc1cccc(c1)C2CC2 34a_100025755985_200025704644 [0,1,0,1,0,0|2,0,0]=4 8662 B12R2.43 [13CH3]Nc1cccc(c1)C2CC2 7a_100025755985_200025704644 [0,1,0,1,0,0|2,0,0]=4 8663 B12R2.43 [13CH3]Oc1cccc(c1)C2CC2 34a_100011787725_200025704644 [0,1,0,1,0,0|1,0,0]=3 8664 B12R2.43 [13CH3]Oc1cccc(c1)C2CC2 7a_100011787725_200025704644 [0,1,0,1,0,0|1,0,0]=3 8665 B12R2.43 [13CH3]Sc1cccc(c1)C2CC2 62a_200025704644_100009816567 [0,1,0,1,0,0|1,1,0]=4 8666 B12R2.44 C=Cc1ccc2c(c1)COC2 271570a_100011290941_100000698232 [0,1,0,1,0,0|1,0,1]=4 8667 B12R2.44 C=Cc1ccc2c(c1)OCC2 271570a_100011290941_100009818566 [0,1,0,1,0,0|1,0,1]=4 8668 B12R2.44 C=Cc1ccc2c(c1)OCO2 271570a_100011290941_100000688060 [0,1,0,1,0,0|1,0,1]=4 8669 B12R2.44 CNc1ccc2c(c1)CCC2 2230a_100000211504_200000210301 [0,1,0,1,0,0|2,0,0]=4 8670 B12R2.44 CNc1ccc2c(c1)CCC2 34a_100000211504_200000210301 [0,1,0,1,0,0|2,0,0]=4 8671 B12R2.44 CNc1ccc2c(c1)CCO2 2230a_100000736984_200000210301 [0,1,0,1,0,0|2,0,0]=4 8672 B12R2.44 CNc1ccc2c(c1)CCO2 34a_100000736984_200000210301 [0,1,0,1,0,0|2,0,0]=4 8673 B12R2.44 CNc1ccc2c(c1)COC2 2230a_100011728444_200000210301 [0,1,0,1,0,0|1,0,0]=3 8674 B12R2.44 CNc1ccc2c(c1)COC2 34a_100011728444_200000210301 [0,1,0,1,0,0|1,0,0]=3 8675 B12R2.44 CNc1ccc2c(c1)OCO2 2230a_100000209953_200000210301 [0,1,0,1,0,0|1,0,0]=3 8676 B12R2.44 CNc1ccc2c(c1)OCO2 34a_100000209953_200000210301 [0,1,0,1,0,0|1,0,0]=3 8677 B12R2.44 CNc1ccc2ccoc2c1 34a_100000102395_200000210301 [0,1,0,1,0,0|1,0,1]=4 8678 B12R2.44 CNc1ccc2cnoc2c1 34a_100000084182_200000210301 [0,1,0,1,0,0|1,0,1]=4 8679 B12R2.44 CNc1ccc2ncoc2c1 34a_100011248239_200000210301 [0,1,0,1,0,0|1,0,1]=4 8680 B12R2.44 COc1ccc2[nH]ccc2c1 34a_100000756620_200000210301 [0,1,0,1,0,0|1,0,1]=4 8681 B12R2.44 COc1ccc2c(c1)CCC2 34a_100000209987_200000210301 [0,1,0,1,0,0|1,0,0]=3 8682 B12R2.44 COc1ccc2c(c1)CCC2 7a_100000209987_200000210301 [0,1,0,1,0,0|1,0,0]=3 8683 B12R2.44 COc1ccc2c(c1)CCN2 34a_100020636429_200000210301 [0,1,0,1,0,0|1,0,0]=3 8684 B12R2.44 COc1ccc2c(c1)CNC2 34a_100015195982_200000210301 [0,1,0,1,0,0|1,0,0]=3 8685 B12R2.44 COc1ccc2c(c1)NCC2 34a_100020636427_200000210301 [0,1,0,1,0,0|1,0,0]=3 8686 B12R2.44 COc1ccc2c(c1)OCO2 34a_100000210298_200000210301 [0,1,0,1,0,0|0,0,0]=2 8687 B12R2.44 COc1ccc2cc[nH]c2c1 34a_100000036713_200000210301 [0,1,0,1,0,0|1,0,1]=4 8688 B12R2.44 COc1ccc2ccoc2c1 34a_100000089557_200000210301 [0,1,0,1,0,0|0,0,1]=3 8689 B12R2.44 COc1ccc2ccoc2c1 7a_100000089557_200000210301 [0,1,0,1,0,0|0,0,1]=3 8690 B12R2.44 COc1ccc2cnoc2c1 34a_100000098417_200000210301 [0,1,0,1,0,0|0,0,1]=3 8691 B12R2.44 COc1ccc2cnoc2c1 7a_100000098417_200000210301 [0,1,0,1,0,0|0,0,1]=3 8692 B12R2.44 COc1ccc2ncsc2c1 34a_100011995850_200000210301 [0,1,0,1,0,0|0,1,1]=4 8693 B12R2.44 COc1ccc2ncsc2c1 7a_100011995850_200000210301 [0,1,0,1,0,0|0,1,1]=4 8694 B12R2.44 COc1ccc2nonc2c1 34a_100000036933_200000210301 [0,1,0,1,0,0|1,0,0]=3 8695 B12R2.44 COc1ccc2occc2c1 34a_100000070125_200000210301 [0,1,0,1,0,0|1,0,1]=4 8696 B12R2.44 COc1ccc2occc2c1 7a_100000070125_200000210301 [0,1,0,1,0,0|1,0,1]=4 8697 B12R2.44 COc1ccc2sccc2c1 34a_100012180905_200000210301 [0,1,0,1,0,0|1,0,1]=4 8698 B12R2.44 COc1ccc2sccc2c1 7a_100012180905_200000210301 [0,1,0,1,0,0|1,0,1]=4 8699 B12R2.44 COc1ccc2scnc2c1 34a_200009850626_200000210301 [0,1,0,1,0,0|1,0,1]=4 8700 B12R2.44 COc1ccc2scnc2c1 7a_200009850626_200000210301 [0,1,0,1,0,0|1,0,1]=4 8701 B12R2.44 CSc1ccc2c(c1)C=CC2 62a_100009814306_200000210301 [0,1,0,1,0,0|1,1,0]=4 8702 B12R2.44 CSc1ccc2c(c1)C=CC2 62a_200000210301_100009814306 [0,1,0,1,0,0|1,1,0]=4 8703 B12R2.44 CSc1ccc2c(c1)CCC2 62a_100000745594_200000210301 [0,1,0,1,0,0|1,1,0]=4 8704 B12R2.44 CSc1ccc2c(c1)CCC2 62a_200000210301_100000745594 [0,1,0,1,0,0|1,1,0]=4 8705 B12R2.44 CSc1ccc2c(c1)CCN2 62a_100000691068_200000210301 [0,1,0,1,0,0|1,1,0]=4 8706 B12R2.44 CSc1ccc2c(c1)CCN2 62a_200000210301_100000691068 [0,1,0,1,0,0|1,1,0]=4 8707 B12R2.44 CSc1ccc2c(c1)CCO2 62a_100000729065_200000210301 [0,1,0,1,0,0|1,1,0]=4 8708 B12R2.44 CSc1ccc2c(c1)CCO2 62a_200000210301_100000729065 [0,1,0,1,0,0|1,1,0]=4 8709 B12R2.44 CSc1ccc2c(c1)CNC2 62a_100000702344_200000210301 [0,1,0,1,0,0|1,1,0]=4 8710 B12R2.44 CSc1ccc2c(c1)CNC2 62a_200000210301_100000702344 [0,1,0,1,0,0|1,1,0]=4 8711 B12R2.44 CSc1ccc2c(c1)COC2 62a_100000698232_200000210301 [0,1,0,1,0,0|0,1,0]=3 8712 B12R2.44 CSc1ccc2c(c1)COC2 62a_200000210301_100000698232 [0,1,0,1,0,0|0,1,0]=3 8713 B12R2.44 CSc1ccc2c(c1)NCC2 62a_100000754641_200000210301 [0,1,0,1,0,0|1,1,0]=4 8714 B12R2.44 CSc1ccc2c(c1)NCC2 62a_200000210301_100000754641 [0,1,0,1,0,0|1,1,0]=4 8715 B12R2.44 CSc1ccc2c(c1)OCC2 62a_100009818566_200000210301 [0,1,0,1,0,0|0,1,0]=3 8716 B12R2.44 CSc1ccc2c(c1)OCC2 62a_200000210301_100009818566 [0,1,0,1,0,0|0,1,0]=3 8717 B12R2.44 CSc1ccc2ccoc2c1 62a_200000210301_100000759542 [0,1,0,1,0,0|0,1,1]=4 8718 B12R2.44 CSc1ccc2cnoc2c1 62a_200000210301_100009817722 [0,1,0,1,0,0|0,1,1]=4 8719 B12R2.44 CSc1ccc2ncoc2c1 62a_200000210301_100009817590 [0,1,0,1,0,0|0,1,1]=4 8720 B12R2.44 CSc1ccc2nonc2c1 62a_100009814275_200000210301 [0,1,0,1,0,0|1,1,0]=4 8721 B12R2.44 CSc1ccc2nonc2c1 62a_200000210301_100009814275 [0,1,0,1,0,0|1,1,0]=4 8722 B12R2.44 [13CH3]Nc1ccc2c(c1)CCC2 2230a_100000211504_200025704644 [0,1,0,1,0,0|2,0,0]=4 8723 B12R2.44 [13CH3]Nc1ccc2c(c1)CCC2 34a_100000211504_200025704644 [0,1,0,1,0,0|2,0,0]=4 8724 B12R2.44 [13CH3]Nc1ccc2c(c1)CCO2 2230a_100000736984_200025704644 [0,1,0,1,0,0|2,0,0]=4 8725 B12R2.44 [13CH3]Nc1ccc2c(c1)CCO2 34a_100000736984_200025704644 [0,1,0,1,0,0|2,0,0]=4 8726 B12R2.44 [13CH3]Nc1ccc2c(c1)COC2 2230a_100011728444_200025704644 [0,1,0,1,0,0|1,0,0]=3 8727 B12R2.44 [13CH3]Nc1ccc2c(c1)COC2 34a_100011728444_200025704644 [0,1,0,1,0,0|1,0,0]=3 8728 B12R2.44 [13CH3]Nc1ccc2c(c1)OCO2 2230a_100000209953_200025704644 [0,1,0,1,0,0|1,0,0]=3 8729 B12R2.44 [13CH3]Nc1ccc2c(c1)OCO2 34a_100000209953_200025704644 [0,1,0,1,0,0|1,0,0]=3 8730 B12R2.44 [13CH3]Nc1ccc2ccoc2c1 34a_100000102395_200025704644 [0,1,0,1,0,0|1,0,1]=4 8731 B12R2.44 [13CH3]Nc1ccc2cnoc2c1 34a_100000084182_200025704644 [0,1,0,1,0,0|1,0,1]=4 8732 B12R2.44 [13CH3]Nc1ccc2ncoc2c1 34a_100011248239_200025704644 [0,1,0,1,0,0|1,0,1]=4 8733 B12R2.44 [13CH3]Oc1ccc2[nH]ccc2c1 34a_100000756620_200025704644 [0,1,0,1,0,0|1,0,1]=4 8734 B12R2.44 [13CH3]Oc1ccc2c(c1)CCC2 34a_100000209987_200025704644 [0,1,0,1,0,0|1,0,0]=3 8735 B12R2.44 [13CH3]Oc1ccc2c(c1)CCC2 7a_100000209987_200025704644 [0,1,0,1,0,0|1,0,0]=3 8736 B12R2.44 [13CH3]Oc1ccc2c(c1)CCN2 34a_100020636429_200025704644 [0,1,0,1,0,0|1,0,0]=3 8737 B12R2.44 [13CH3]Oc1ccc2c(c1)CNC2 34a_100015195982_200025704644 [0,1,0,1,0,0|1,0,0]=3 8738 B12R2.44 [13CH3]Oc1ccc2c(c1)NCC2 34a_100020636427_200025704644 [0,1,0,1,0,0|1,0,0]=3 8739 B12R2.44 [13CH3]Oc1ccc2c(c1)OCO2 34a_100000210298_200025704644 [0,1,0,1,0,0|0,0,0]=2 8740 B12R2.44 [13CH3]Oc1ccc2cc[nH]c2c1 34a_100000036713_200025704644 [0,1,0,1,0,0|1,0,1]=4 8741 B12R2.44 [13CH3]Oc1ccc2ccoc2c1 34a_100000089557_200025704644 [0,1,0,1,0,0|0,0,1]=3 8742 B12R2.44 [13CH3]Oc1ccc2ccoc2c1 7a_100000089557_200025704644 [0,1,0,1,0,0|0,0,1]=3 8743 B12R2.44 [13CH3]Oc1ccc2cnoc2c1 34a_100000098417_200025704644 [0,1,0,1,0,0|0,0,1]=3 8744 B12R2.44 [13CH3]Oc1ccc2cnoc2c1 7a_100000098417_200025704644 [0,1,0,1,0,0|0,0,1]=3 8745 B12R2.44 [13CH3]Oc1ccc2ncsc2c1 34a_100011995850_200025704644 [0,1,0,1,0,0|0,1,1]=4 8746 B12R2.44 [13CH3]Oc1ccc2ncsc2c1 7a_100011995850_200025704644 [0,1,0,1,0,0|0,1,1]=4 8747 B12R2.44 [13CH3]Oc1ccc2nonc2c1 34a_100000036933_200025704644 [0,1,0,1,0,0|1,0,0]=3 8748 B12R2.44 [13CH3]Oc1ccc2occc2c1 34a_100000070125_200025704644 [0,1,0,1,0,0|1,0,1]=4 8749 B12R2.44 [13CH3]Oc1ccc2occc2c1 7a_100000070125_200025704644 [0,1,0,1,0,0|1,0,1]=4 8750 B12R2.44 [13CH3]Oc1ccc2sccc2c1 34a_100012180905_200025704644 [0,1,0,1,0,0|1,0,1]=4 8751 B12R2.44 [13CH3]Oc1ccc2sccc2c1 7a_100012180905_200025704644 [0,1,0,1,0,0|1,0,1]=4 8752 B12R2.44 [13CH3]Oc1ccc2scnc2c1 34a_200009850626_200025704644 [0,1,0,1,0,0|1,0,1]=4 8753 B12R2.44 [13CH3]Oc1ccc2scnc2c1 7a_200009850626_200025704644 [0,1,0,1,0,0|1,0,1]=4 8754 B12R2.44 [13CH3]Sc1ccc2c(c1)C=CC2 62a_100009814306_200025704644 [0,1,0,1,0,0|1,1,0]=4 8755 B12R2.44 [13CH3]Sc1ccc2c(c1)C=CC2 62a_200025704644_100009814306 [0,1,0,1,0,0|1,1,0]=4 8756 B12R2.44 [13CH3]Sc1ccc2c(c1)CCC2 62a_100000745594_200025704644 [0,1,0,1,0,0|1,1,0]=4 8757 B12R2.44 [13CH3]Sc1ccc2c(c1)CCC2 62a_200025704644_100000745594 [0,1,0,1,0,0|1,1,0]=4 8758 B12R2.44 [13CH3]Sc1ccc2c(c1)CCN2 62a_100000691068_200025704644 [0,1,0,1,0,0|1,1,0]=4 8759 B12R2.44 [13CH3]Sc1ccc2c(c1)CCN2 62a_200025704644_100000691068 [0,1,0,1,0,0|1,1,0]=4 8760 B12R2.44 [13CH3]Sc1ccc2c(c1)CCO2 62a_100000729065_200025704644 [0,1,0,1,0,0|1,1,0]=4 8761 B12R2.44 [13CH3]Sc1ccc2c(c1)CCO2 62a_200025704644_100000729065 [0,1,0,1,0,0|1,1,0]=4 8762 B12R2.44 [13CH3]Sc1ccc2c(c1)CNC2 62a_100000702344_200025704644 [0,1,0,1,0,0|1,1,0]=4 8763 B12R2.44 [13CH3]Sc1ccc2c(c1)CNC2 62a_200025704644_100000702344 [0,1,0,1,0,0|1,1,0]=4 8764 B12R2.44 [13CH3]Sc1ccc2c(c1)COC2 62a_100000698232_200025704644 [0,1,0,1,0,0|0,1,0]=3 8765 B12R2.44 [13CH3]Sc1ccc2c(c1)COC2 62a_200025704644_100000698232 [0,1,0,1,0,0|0,1,0]=3 8766 B12R2.44 [13CH3]Sc1ccc2c(c1)NCC2 62a_100000754641_200025704644 [0,1,0,1,0,0|1,1,0]=4 8767 B12R2.44 [13CH3]Sc1ccc2c(c1)NCC2 62a_200025704644_100000754641 [0,1,0,1,0,0|1,1,0]=4 8768 B12R2.44 [13CH3]Sc1ccc2c(c1)OCC2 62a_100009818566_200025704644 [0,1,0,1,0,0|0,1,0]=3 8769 B12R2.44 [13CH3]Sc1ccc2c(c1)OCC2 62a_200025704644_100009818566 [0,1,0,1,0,0|0,1,0]=3 8770 B12R2.44 [13CH3]Sc1ccc2ccoc2c1 62a_200025704644_100000759542 [0,1,0,1,0,0|0,1,1]=4 8771 B12R2.44 [13CH3]Sc1ccc2cnoc2c1 62a_200025704644_100009817722 [0,1,0,1,0,0|0,1,1]=4 8772 B12R2.44 [13CH3]Sc1ccc2ncoc2c1 62a_200025704644_100009817590 [0,1,0,1,0,0|0,1,1]=4 8773 B12R2.44 [13CH3]Sc1ccc2nonc2c1 62a_100009814275_200025704644 [0,1,0,1,0,0|1,1,0]=4 8774 B12R2.44 [13CH3]Sc1ccc2nonc2c1 62a_200025704644_100009814275 [0,1,0,1,0,0|1,1,0]=4 8775 B12R2.143 CC=Cc1ccc2c(c1)CC2 271570a_100016259895_100009818592 [0,1,0,1,0,0|2,0,0]=4 8776 B12R2.143 CCSc1ccc2c(c1)CC2 62a_100000210202_100009818592 [0,1,0,1,0,0|1,1,0]=4 8777 B12R2.143 CCSc1ccc2c(c1)CC2 62a_100009818592_100000210202 [0,1,0,1,0,0|1,1,0]=4 8778 B12R2.143 CNCc1ccc2c(c1)CC2 207a_100102657272_100010273998 [0,1,0,1,0,0|2,0,0]=4 8779 B12R2.143 CNCc1ccc2c(c1)CC2 270004a_106832991635_100010273998 [0,1,0,1,0,0|2,0,0]=4 8780 B12R2.143 COCc1ccc2c(c1)CC2 34a_100010733339_200000210301 [0,1,0,1,0,0|1,0,0]=3 8781 B12R2.143 COCc1ccc2c(c1)CC2 7a_100010733339_200000210301 [0,1,0,1,0,0|1,0,0]=3 8782 B12R2.143 FCSc1ccc2c(c1)CC2 62a_100009818592_100015361967 [0,1,0,1,0,0|1,1,0]=4 8783 B12R2.143 FCSc1ccc2c(c1)CC2 62a_100015361967_100009818592 [0,1,0,1,0,0|1,1,0]=4 8784 B12R2.143 [13CH3]OCc1ccc2c(c1)CC2 34a_100010733339_200025704644 [0,1,0,1,0,0|1,0,0]=3 8785 B12R2.143 [13CH3]OCc1ccc2c(c1)CC2 7a_100010733339_200025704644 [0,1,0,1,0,0|1,0,0]=3 8786 B12R2.315 C=Cc1cccc2c1CCO2 271570a_100011290941_100009819624 [0,1,0,1,0,0|1,0,1]=4 8787 B12R2.315 C=Cc1cccc2c1COC2 271570a_100011290941_100010384907 [0,1,0,1,0,0|1,0,1]=4 8788 B12R2.315 C=Cc1cccc2c1OCO2 271570a_100011290941_100009814252 [0,1,0,1,0,0|1,0,1]=4 8789 B12R2.315 CNc1cccc2c1CCC2 2230a_100000043548_200000210301 [0,1,0,1,0,0|2,0,0]=4 8790 B12R2.315 CNc1cccc2c1CCC2 34a_100000043548_200000210301 [0,1,0,1,0,0|2,0,0]=4 8791 B12R2.315 CNc1cccc2c1CCO2 2230a_100000084147_200000210301 [0,1,0,1,0,0|1,0,0]=3 8792 B12R2.315 CNc1cccc2c1CCO2 34a_100000084147_200000210301 [0,1,0,1,0,0|1,0,0]=3 8793 B12R2.315 CNc1cccc2c1COC2 2230a_100000125316_200000210301 [0,1,0,1,0,0|1,0,0]=3 8794 B12R2.315 CNc1cccc2c1COC2 34a_100000125316_200000210301 [0,1,0,1,0,0|1,0,0]=3 8795 B12R2.315 CNc1cccc2c1OCC2 2230a_100000102157_200000210301 [0,1,0,1,0,0|2,0,0]=4 8796 B12R2.315 CNc1cccc2c1OCC2 34a_100000102157_200000210301 [0,1,0,1,0,0|2,0,0]=4 8797 B12R2.315 CNc1cccc2c1OCO2 2230a_100000699912_200000210301 [0,1,0,1,0,0|1,0,0]=3 8798 B12R2.315 CNc1cccc2c1OCO2 34a_100000699912_200000210301 [0,1,0,1,0,0|1,0,0]=3 8799 B12R2.315 CNc1cccc2c1nco2 34a_100000717946_200000210301 [0,1,0,1,0,0|1,0,1]=4 8800 B12R2.315 CNc1cccc2c1non2 27a_100102657272_100009820244 [0,1,0,1,0,0|2,0,0]=4 8801 B12R2.315 COc1cccc2c1CCC2 34a_100000074356_200000210301 [0,1,0,1,0,0|1,0,0]=3 8802 B12R2.315 COc1cccc2c1CCC2 7a_100000074356_200000210301 [0,1,0,1,0,0|1,0,0]=3 8803 B12R2.315 COc1cccc2c1CCN2 34a_100000703684_200000210301 [0,1,0,1,0,0|1,0,0]=3 8804 B12R2.315 COc1cccc2c1CCO2 34a_100000090053_200000210301 [0,1,0,1,0,0|0,0,0]=2 8805 B12R2.315 COc1cccc2c1CCO2 7a_100000090053_200000210301 [0,1,0,1,0,0|0,0,0]=2 8806 B12R2.315 COc1cccc2c1CNC2 34a_100015191671_200000210301 [0,1,0,1,0,0|1,0,0]=3 8807 B12R2.315 COc1cccc2c1OCO2 34a_100000046630_200000210301 [0,1,0,1,0,0|0,0,0]=2 8808 B12R2.315 COc1cccc2c1OCO2 7a_100000046630_200000210301 [0,1,0,1,0,0|0,0,0]=2 8809 B12R2.315 COc1cccc2c1cc[nH]2 34a_100000763377_200000210301 [0,1,0,1,0,0|1,0,1]=4 8810 B12R2.315 COc1cccc2c1ccs2 34a_100000077759_200000210301 [0,1,0,1,0,0|0,1,1]=4 8811 B12R2.315 COc1cccc2c1ccs2 7a_100000077759_200000210301 [0,1,0,1,0,0|0,1,1]=4 8812 B12R2.315 COc1cccc2c1ncs2 34a_100000101385_200000210301 [0,1,0,1,0,0|0,1,1]=4 8813 B12R2.315 COc1cccc2c1ncs2 7a_100000101385_200000210301 [0,1,0,1,0,0|0,1,1]=4 8814 B12R2.315 CSc1cccc2c1CC=C2 62a_100009844718_200000210301 [0,1,0,1,0,0|1,1,0]=4 8815 B12R2.315 CSc1cccc2c1CC=C2 62a_200000210301_100009844718 [0,1,0,1,0,0|1,1,0]=4 8816 B12R2.315 CSc1cccc2c1CCC2 62a_100010343934_200000210301 [0,1,0,1,0,0|1,1,0]=4 8817 B12R2.315 CSc1cccc2c1CCC2 62a_200000210301_100010343934 [0,1,0,1,0,0|1,1,0]=4 8818 B12R2.315 CSc1cccc2c1CCN2 62a_100009817896_200000210301 [0,1,0,1,0,0|1,1,0]=4 8819 B12R2.315 CSc1cccc2c1CCN2 62a_200000210301_100009817896 [0,1,0,1,0,0|1,1,0]=4 8820 B12R2.315 CSc1cccc2c1CCO2 62a_100009819624_200000210301 [0,1,0,1,0,0|0,1,0]=3 8821 B12R2.315 CSc1cccc2c1CCO2 62a_200000210301_100009819624 [0,1,0,1,0,0|0,1,0]=3 8822 B12R2.315 CSc1cccc2c1CNC2 62a_100000703859_200000210301 [0,1,0,1,0,0|1,1,0]=4 8823 B12R2.315 CSc1cccc2c1CNC2 62a_200000210301_100000703859 [0,1,0,1,0,0|1,1,0]=4 8824 B12R2.315 CSc1cccc2c1COC2 62a_100010384907_200000210301 [0,1,0,1,0,0|0,1,0]=3 8825 B12R2.315 CSc1cccc2c1COC2 62a_200000210301_100010384907 [0,1,0,1,0,0|0,1,0]=3 8826 B12R2.315 CSc1cccc2c1NCC2 62a_100016995435_200000210301 [0,1,0,1,0,0|1,1,0]=4 8827 B12R2.315 CSc1cccc2c1NCC2 62a_200000210301_100016995435 [0,1,0,1,0,0|1,1,0]=4 8828 B12R2.315 CSc1cccc2c1OCC2 62a_100009818991_200000210301 [0,1,0,1,0,0|1,1,0]=4 8829 B12R2.315 CSc1cccc2c1OCC2 62a_200000210301_100009818991 [0,1,0,1,0,0|1,1,0]=4 8830 B12R2.315 CSc1cccc2c1cco2 62a_200000210301_100000756496 [0,1,0,1,0,0|0,1,1]=4 8831 B12R2.315 CSc1cccc2c1cno2 62a_200000210301_100009818589 [0,1,0,1,0,0|0,1,1]=4 8832 B12R2.315 CSc1cccc2c1nco2 62a_200000210301_100009816834 [0,1,0,1,0,0|0,1,1]=4 8833 B12R2.315 CSc1cccc2c1non2 62a_100009820244_200000210301 [0,1,0,1,0,0|1,1,0]=4 8834 B12R2.315 CSc1cccc2c1non2 62a_200000210301_100009820244 [0,1,0,1,0,0|1,1,0]=4 8835 B12R2.315 [13CH3]Nc1cccc2c1CCC2 2230a_100000043548_200025704644 [0,1,0,1,0,0|2,0,0]=4 8836 B12R2.315 [13CH3]Nc1cccc2c1CCC2 34a_100000043548_200025704644 [0,1,0,1,0,0|2,0,0]=4 8837 B12R2.315 [13CH3]Nc1cccc2c1CCO2 2230a_100000084147_200025704644 [0,1,0,1,0,0|1,0,0]=3 8838 B12R2.315 [13CH3]Nc1cccc2c1CCO2 34a_100000084147_200025704644 [0,1,0,1,0,0|1,0,0]=3 8839 B12R2.315 [13CH3]Nc1cccc2c1COC2 2230a_100000125316_200025704644 [0,1,0,1,0,0|1,0,0]=3 8840 B12R2.315 [13CH3]Nc1cccc2c1COC2 34a_100000125316_200025704644 [0,1,0,1,0,0|1,0,0]=3 8841 B12R2.315 [13CH3]Nc1cccc2c1OCC2 2230a_100000102157_200025704644 [0,1,0,1,0,0|2,0,0]=4 8842 B12R2.315 [13CH3]Nc1cccc2c1OCC2 34a_100000102157_200025704644 [0,1,0,1,0,0|2,0,0]=4 8843 B12R2.315 [13CH3]Nc1cccc2c1OCO2 2230a_100000699912_200025704644 [0,1,0,1,0,0|1,0,0]=3 8844 B12R2.315 [13CH3]Nc1cccc2c1OCO2 34a_100000699912_200025704644 [0,1,0,1,0,0|1,0,0]=3 8845 B12R2.315 [13CH3]Nc1cccc2c1nco2 34a_100000717946_200025704644 [0,1,0,1,0,0|1,0,1]=4 8846 B12R2.315 [13CH3]Oc1cccc2c1CCC2 34a_100000074356_200025704644 [0,1,0,1,0,0|1,0,0]=3 8847 B12R2.315 [13CH3]Oc1cccc2c1CCC2 7a_100000074356_200025704644 [0,1,0,1,0,0|1,0,0]=3 8848 B12R2.315 [13CH3]Oc1cccc2c1CCN2 34a_100000703684_200025704644 [0,1,0,1,0,0|1,0,0]=3 8849 B12R2.315 [13CH3]Oc1cccc2c1CCO2 34a_100000090053_200025704644 [0,1,0,1,0,0|0,0,0]=2 8850 B12R2.315 [13CH3]Oc1cccc2c1CCO2 7a_100000090053_200025704644 [0,1,0,1,0,0|0,0,0]=2 8851 B12R2.315 [13CH3]Oc1cccc2c1CNC2 34a_100015191671_200025704644 [0,1,0,1,0,0|1,0,0]=3 8852 B12R2.315 [13CH3]Oc1cccc2c1OCO2 34a_100000046630_200025704644 [0,1,0,1,0,0|0,0,0]=2 8853 B12R2.315 [13CH3]Oc1cccc2c1OCO2 7a_100000046630_200025704644 [0,1,0,1,0,0|0,0,0]=2 8854 B12R2.315 [13CH3]Oc1cccc2c1cc[nH]2 34a_100000763377_200025704644 [0,1,0,1,0,0|1,0,1]=4 8855 B12R2.315 [13CH3]Oc1cccc2c1ccs2 34a_100000077759_200025704644 [0,1,0,1,0,0|0,1,1]=4 8856 B12R2.315 [13CH3]Oc1cccc2c1ccs2 7a_100000077759_200025704644 [0,1,0,1,0,0|0,1,1]=4 8857 B12R2.315 [13CH3]Oc1cccc2c1ncs2 34a_100000101385_200025704644 [0,1,0,1,0,0|0,1,1]=4 8858 B12R2.315 [13CH3]Oc1cccc2c1ncs2 7a_100000101385_200025704644 [0,1,0,1,0,0|0,1,1]=4 8859 B12R2.315 [13CH3]Sc1cccc2c1CC=C2 62a_100009844718_200025704644 [0,1,0,1,0,0|1,1,0]=4 8860 B12R2.315 [13CH3]Sc1cccc2c1CC=C2 62a_200025704644_100009844718 [0,1,0,1,0,0|1,1,0]=4 8861 B12R2.315 [13CH3]Sc1cccc2c1CCC2 62a_100010343934_200025704644 [0,1,0,1,0,0|1,1,0]=4 8862 B12R2.315 [13CH3]Sc1cccc2c1CCC2 62a_200025704644_100010343934 [0,1,0,1,0,0|1,1,0]=4 8863 B12R2.315 [13CH3]Sc1cccc2c1CCN2 62a_100009817896_200025704644 [0,1,0,1,0,0|1,1,0]=4 8864 B12R2.315 [13CH3]Sc1cccc2c1CCN2 62a_200025704644_100009817896 [0,1,0,1,0,0|1,1,0]=4 8865 B12R2.315 [13CH3]Sc1cccc2c1CCO2 62a_100009819624_200025704644 [0,1,0,1,0,0|0,1,0]=3 8866 B12R2.315 [13CH3]Sc1cccc2c1CCO2 62a_200025704644_100009819624 [0,1,0,1,0,0|0,1,0]=3 8867 B12R2.315 [13CH3]Sc1cccc2c1CNC2 62a_100000703859_200025704644 [0,1,0,1,0,0|1,1,0]=4 8868 B12R2.315 [13CH3]Sc1cccc2c1CNC2 62a_200025704644_100000703859 [0,1,0,1,0,0|1,1,0]=4 8869 B12R2.315 [13CH3]Sc1cccc2c1COC2 62a_100010384907_200025704644 [0,1,0,1,0,0|0,1,0]=3 8870 B12R2.315 [13CH3]Sc1cccc2c1COC2 62a_200025704644_100010384907 [0,1,0,1,0,0|0,1,0]=3 8871 B12R2.315 [13CH3]Sc1cccc2c1NCC2 62a_100016995435_200025704644 [0,1,0,1,0,0|1,1,0]=4 8872 B12R2.315 [13CH3]Sc1cccc2c1NCC2 62a_200025704644_100016995435 [0,1,0,1,0,0|1,1,0]=4 8873 B12R2.315 [13CH3]Sc1cccc2c1OCC2 62a_100009818991_200025704644 [0,1,0,1,0,0|1,1,0]=4 8874 B12R2.315 [13CH3]Sc1cccc2c1OCC2 62a_200025704644_100009818991 [0,1,0,1,0,0|1,1,0]=4 8875 B12R2.315 [13CH3]Sc1cccc2c1cco2 62a_200025704644_100000756496 [0,1,0,1,0,0|0,1,1]=4 8876 B12R2.315 [13CH3]Sc1cccc2c1cno2 62a_200025704644_100009818589 [0,1,0,1,0,0|0,1,1]=4 8877 B12R2.315 [13CH3]Sc1cccc2c1nco2 62a_200025704644_100009816834 [0,1,0,1,0,0|0,1,1]=4 8878 B12R2.315 [13CH3]Sc1cccc2c1non2 62a_100009820244_200025704644 [0,1,0,1,0,0|1,1,0]=4 8879 B12R2.315 [13CH3]Sc1cccc2c1non2 62a_200025704644_100009820244 [0,1,0,1,0,0|1,1,0]=4 8880 B12R2.1384 C=C(C)c1ccc2c(c1)CC2 271570a_100000694244_100009818592 [0,1,0,1,0,0|2,0,0]=4 8881 B12R2.1384 CC(=O)c1ccc2c(c1)CC2 1458a_100000137882_200000210301 [0,1,0,1,0,0|2,0,0]=4 8882 B12R2.1384 [13CH3]C(=O)c1ccc2c(c1)CC2 1458a_100000137882_200025704644 [0,1,0,1,0,0|2,0,0]=4 8883 B8R1.1 CCc1cc(cs1)O 271570a_203496583355_100009846239 [1,0,0,0,1,0|2,0,0]=4 8884 B8R1.1 CCc1ccc(s1)O 271570a_203496583355_100009844052 [1,0,0,0,1,0|2,0,0]=4 8885 B8R1.1 COc1ccn(n1)C 34a_100012642153_200000210301 [1,0,0,0,1,0|2,0,0]=4 8886 B8R1.1 COc1cnn(c1)C 34a_100000707646_200000210301 [1,0,0,0,1,0|2,0,0]=4 8887 B8R1.1 COc1nc(cs1)O 271570a_203496583355_100000727839 [1,0,0,0,1,0|2,0,0]=4 8888 B8R1.1 COc1ncc(s1)O 271570a_203496583355_100000729428 [1,0,0,0,1,0|2,0,0]=4 8889 B8R1.1 CSc1cc(cs1)C 62a_100009876951_200000210301 [1,0,0,0,1,0|1,1,0]=4 8890 B8R1.1 CSc1cc(cs1)C 62a_200000210301_100009876951 [1,0,0,0,1,0|1,1,0]=4 8891 B8R1.1 CSc1cc(cs1)O 271570a_203496583355_200010256830 [1,0,0,0,1,0|1,1,0]=4 8892 B8R1.1 CSc1ccc(s1)C 62a_100000031368_200000210301 [1,0,0,0,1,0|1,1,0]=4 8893 B8R1.1 CSc1ccc(s1)C 62a_200000210301_100000031368 [1,0,0,0,1,0|1,1,0]=4 8894 B8R1.1 CSc1csc(c1)C 62a_100000759034_200000210301 [1,0,0,0,1,0|1,1,0]=4 8895 B8R1.1 CSc1csc(c1)C 62a_200000210301_100000759034 [1,0,0,0,1,0|1,1,0]=4 8896 B8R1.1 Cc1cc(cs1)S[13CH3] 62a_100000759034_200025704644 [1,0,0,0,1,0|1,1,0]=4 8897 B8R1.1 Cc1cc(cs1)S[13CH3] 62a_200025704644_100000759034 [1,0,0,0,1,0|1,1,0]=4 8898 B8R1.1 Cc1ccc(s1)S[13CH3] 62a_100000031368_200025704644 [1,0,0,0,1,0|1,1,0]=4 8899 B8R1.1 Cc1ccc(s1)S[13CH3] 62a_200025704644_100000031368 [1,0,0,0,1,0|1,1,0]=4 8900 B8R1.1 Cc1csc(c1)S[13CH3] 62a_100009876951_200025704644 [1,0,0,0,1,0|1,1,0]=4 8901 B8R1.1 Cc1csc(c1)S[13CH3] 62a_200025704644_100009876951 [1,0,0,0,1,0|1,1,0]=4 8902 B8R1.1 Cn1cc(cn1)O[13CH3] 34a_100000707646_200025704644 [1,0,0,0,1,0|2,0,0]=4 8903 B8R1.1 Cn1ccc(n1)O[13CH3] 34a_100012642153_200025704644 [1,0,0,0,1,0|2,0,0]=4 8904 B8R1.11 CCc1ccsc1O 271570a_203496583355_200009875468 [1,0,0,0,1,0|2,0,0]=4 8905 B8R1.11 CCc1cscc1O 271570a_203496583355_100011068457 [1,0,0,0,1,0|2,0,0]=4 8906 B8R1.11 COc1ccnn1C 34a_100020632926_200000210301 [1,0,0,0,1,0|2,0,0]=4 8907 B8R1.11 COc1n[nH]cc1O 271570a_203496583355_100010982843 [1,0,0,0,1,0|2,0,0]=4 8908 B8R1.11 CSc1ccsc1C 62a_100000684487_200000210301 [1,0,0,0,1,0|1,1,0]=4 8909 B8R1.11 CSc1ccsc1C 62a_200000210301_100000684487 [1,0,0,0,1,0|1,1,0]=4 8910 B8R1.11 CSc1cscc1C 62a_100000759966_200000210301 [1,0,0,0,1,0|1,1,0]=4 8911 B8R1.11 CSc1cscc1C 62a_200000210301_100000759966 [1,0,0,0,1,0|1,1,0]=4 8912 B8R1.11 CSc1sccc1C 62a_100010247149_200000210301 [1,0,0,0,1,0|1,1,0]=4 8913 B8R1.11 CSc1sccc1C 62a_200000210301_100010247149 [1,0,0,0,1,0|1,1,0]=4 8914 B8R1.11 CSc1sccc1O 271570a_203496583355_200010341309 [1,0,0,0,1,0|1,1,0]=4 8915 B8R1.11 Cc1ccsc1S[13CH3] 62a_100010247149_200025704644 [1,0,0,0,1,0|1,1,0]=4 8916 B8R1.11 Cc1ccsc1S[13CH3] 62a_200025704644_100010247149 [1,0,0,0,1,0|1,1,0]=4 8917 B8R1.11 Cc1cscc1S[13CH3] 62a_100000759966_200025704644 [1,0,0,0,1,0|1,1,0]=4 8918 B8R1.11 Cc1cscc1S[13CH3] 62a_200025704644_100000759966 [1,0,0,0,1,0|1,1,0]=4 8919 B8R1.11 Cc1sccc1S[13CH3] 62a_100000684487_200025704644 [1,0,0,0,1,0|1,1,0]=4 8920 B8R1.11 Cc1sccc1S[13CH3] 62a_200025704644_100000684487 [1,0,0,0,1,0|1,1,0]=4 8921 B8R1.11 Cn1nccc1O[13CH3] 34a_100020632926_200025704644 [1,0,0,0,1,0|2,0,0]=4 8922 B10R1.3 C#Cc1ccc(nc1)OC 34a_200009884252_200000210301 [0,0,0,0,1,1|1,0,1]=4 8923 B10R1.3 C#Cc1ccc(nc1)O[13CH3] 34a_200009884252_200025704644 [0,0,0,0,1,1|1,0,1]=4 8924 B10R1.3 C=Cc1ccc(cc1)OC 271570a_100011290941_100000171711 [0,0,0,0,1,1|1,0,1]=4 8925 B10R1.3 C=Cc1ccc(cc1)OC 34a_100000189437_200000210301 [0,0,0,0,1,1|1,0,1]=4 8926 B10R1.3 C=Cc1ccc(cc1)OC 7a_100000189437_200000210301 [0,0,0,0,1,1|1,0,1]=4 8927 B10R1.3 C=Cc1ccc(cc1)O[13CH3] 34a_100000189437_200025704644 [0,0,0,0,1,1|1,0,1]=4 8928 B10R1.3 C=Cc1ccc(cc1)O[13CH3] 7a_100000189437_200025704644 [0,0,0,0,1,1|1,0,1]=4 8929 B10R1.3 C=Cc1ccc(cn1)OC 271570a_100011290941_100000755202 [0,0,0,0,1,1|1,0,1]=4 8930 B10R1.3 C=Cc1ccc(nc1)OC 271570a_100011290941_100000047065 [0,0,0,0,1,1|1,0,1]=4 8931 B10R1.3 CCc1ccc(cc1)NC 2230a_100000211069_200000210301 [0,0,0,0,1,1|2,0,0]=4 8932 B10R1.3 CCc1ccc(cc1)NC 34a_100000211069_200000210301 [0,0,0,0,1,1|2,0,0]=4 8933 B10R1.3 CCc1ccc(cc1)N[13CH3] 2230a_100000211069_200025704644 [0,0,0,0,1,1|2,0,0]=4 8934 B10R1.3 CCc1ccc(cc1)N[13CH3] 34a_100000211069_200025704644 [0,0,0,0,1,1|2,0,0]=4 8935 B10R1.3 CCc1ccc(cc1)OC 34a_100000211359_200000210301 [0,0,0,0,1,1|1,0,0]=3 8936 B10R1.3 CCc1ccc(cc1)OC 7a_100000211359_200000210301 [0,0,0,0,1,1|1,0,0]=3 8937 B10R1.3 CCc1ccc(cc1)O[13CH3] 34a_100000211359_200025704644 [0,0,0,0,1,1|1,0,0]=3 8938 B10R1.3 CCc1ccc(cc1)O[13CH3] 7a_100000211359_200025704644 [0,0,0,0,1,1|1,0,0]=3 8939 B10R1.3 CCc1ccc(cc1)SC 62a_100011215824_200000210301 [0,0,0,0,1,1|1,1,0]=4 8940 B10R1.3 CCc1ccc(cc1)SC 62a_200000210301_100011215824 [0,0,0,0,1,1|1,1,0]=4 8941 B10R1.3 CCc1ccc(cc1)S[13CH3] 62a_100011215824_200025704644 [0,0,0,0,1,1|1,1,0]=4 8942 B10R1.3 CCc1ccc(cc1)S[13CH3] 62a_200025704644_100011215824 [0,0,0,0,1,1|1,1,0]=4 8943 B10R1.3 CCc1ccc(cn1)SC 62a_100009820025_200000210301 [0,0,0,0,1,1|1,1,0]=4 8944 B10R1.3 CCc1ccc(cn1)SC 62a_200000210301_100009820025 [0,0,0,0,1,1|1,1,0]=4 8945 B10R1.3 CCc1ccc(cn1)S[13CH3] 62a_100009820025_200025704644 [0,0,0,0,1,1|1,1,0]=4 8946 B10R1.3 CCc1ccc(cn1)S[13CH3] 62a_200025704644_100009820025 [0,0,0,0,1,1|1,1,0]=4 8947 B10R1.3 CCc1ccc(nc1)SC 62a_100009843584_200000210301 [0,0,0,0,1,1|1,1,0]=4 8948 B10R1.3 CCc1ccc(nc1)SC 62a_200000210301_100009843584 [0,0,0,0,1,1|1,1,0]=4 8949 B10R1.3 CCc1ccc(nc1)S[13CH3] 62a_100009843584_200025704644 [0,0,0,0,1,1|1,1,0]=4 8950 B10R1.3 CCc1ccc(nc1)S[13CH3] 62a_200025704644_100009843584 [0,0,0,0,1,1|1,1,0]=4 8951 B10R1.3 CNc1ccc(cc1)OC 34a_100000182112_200000210301 [0,0,0,0,1,1|1,0,0]=3 8952 B10R1.3 CNc1ccc(cc1)OC 34a_100000184247_200000210301 [0,0,0,0,1,1|1,0,0]=3 8953 B10R1.3 CNc1ccc(cc1)O[13CH3] 34a_100000182112_200025704644 [0,0,0,0,1,1|1,0,0]=3 8954 B10R1.3 CNc1ccc(cc1)SC 34a_100000212337_200000210301 [0,0,0,0,1,1|1,1,0]=4 8955 B10R1.3 CNc1ccc(cc1)SC 62a_100000743151_200000210301 [0,0,0,0,1,1|1,1,0]=4 8956 B10R1.3 CNc1ccc(cc1)SC 62a_200000210301_100000743151 [0,0,0,0,1,1|1,1,0]=4 8957 B10R1.3 CNc1ccc(cc1)S[13CH3] 62a_100000743151_200025704644 [0,0,0,0,1,1|1,1,0]=4 8958 B10R1.3 CNc1ccc(cc1)S[13CH3] 62a_200025704644_100000743151 [0,0,0,0,1,1|1,1,0]=4 8959 B10R1.3 CNc1ccc(cn1)SC 27a_100102657272_100009820866 [0,0,0,0,1,1|1,1,0]=4 8960 B10R1.3 CNc1ccc(cn1)SC 62a_100000741341_200000210301 [0,0,0,0,1,1|1,1,0]=4 8961 B10R1.3 CNc1ccc(cn1)SC 62a_200000210301_100000741341 [0,0,0,0,1,1|1,1,0]=4 8962 B10R1.3 CNc1ccc(cn1)S[13CH3] 62a_100000741341_200025704644 [0,0,0,0,1,1|1,1,0]=4 8963 B10R1.3 CNc1ccc(cn1)S[13CH3] 62a_200025704644_100000741341 [0,0,0,0,1,1|1,1,0]=4 8964 B10R1.3 CNc1ccc(nc1)SC 62a_100000764248_200000210301 [0,0,0,0,1,1|1,1,0]=4 8965 B10R1.3 CNc1ccc(nc1)SC 62a_200000210301_100000764248 [0,0,0,0,1,1|1,1,0]=4 8966 B10R1.3 CNc1ccc(nc1)S[13CH3] 62a_100000764248_200025704644 [0,0,0,0,1,1|1,1,0]=4 8967 B10R1.3 CNc1ccc(nc1)S[13CH3] 62a_200025704644_100000764248 [0,0,0,0,1,1|1,1,0]=4 8968 B10R1.3 CNc1ccc(nn1)OC 27a_100102657272_100010231723 [0,0,0,0,1,1|2,0,0]=4 8969 B10R1.3 CNc1ncc(cn1)OC 27a_100102657272_100000069167 [0,0,0,0,1,1|2,0,0]=4 8970 B10R1.3 COc1ccc(cc1)C#N 34a_100000210344_200000210301 [0,0,0,0,1,1|2,0,0]=4 8971 B10R1.3 COc1ccc(cc1)C#N 7a_100000210344_200000210301 [0,0,0,0,1,1|2,0,0]=4 8972 B10R1.3 COc1ccc(cc1)CN 34a_100000185549_200000210301 [0,0,0,0,1,1|2,0,0]=4 8973 B10R1.3 COc1ccc(cc1)CO 34a_100000211755_200000210301 [0,0,0,0,1,1|2,0,0]=4 8974 B10R1.3 COc1ccc(cc1)N[13CH3] 34a_100000184247_200025704644 [0,0,0,0,1,1|1,0,0]=3 8975 B10R1.3 COc1ccc(cc1)OC 34a_100000210503_200000210301 [0,0,0,0,1,1|0,0,0]=2 8976 B10R1.3 COc1ccc(cc1)O[13CH3] 34a_100000210503_200025704644 [0,0,0,0,1,1|0,0,0]=2 8977 B10R1.3 COc1ccc(cc1)SC 34a_100000211864_200000210301 [0,0,0,0,1,1|0,1,0]=3 8978 B10R1.3 COc1ccc(cc1)SC 62a_200000210301_100000171711 [0,0,0,0,1,1|0,1,0]=3 8979 B10R1.3 COc1ccc(cc1)S[13CH3] 62a_200025704644_100000171711 [0,0,0,0,1,1|0,1,0]=3 8980 B10R1.3 COc1ccc(cn1)CN 34a_100000757128_200000210301 [0,0,0,0,1,1|2,0,0]=4 8981 B10R1.3 COc1ccc(cn1)O[13CH3] 34a_100011934560_200025704644 [0,0,0,0,1,1|0,0,0]=2 8982 B10R1.3 COc1ccc(cn1)SC 62a_100000047065_200000210301 [0,0,0,0,1,1|0,1,0]=3 8983 B10R1.3 COc1ccc(cn1)SC 62a_200000210301_100000047065 [0,0,0,0,1,1|0,1,0]=3 8984 B10R1.3 COc1ccc(cn1)S[13CH3] 62a_100000047065_200025704644 [0,0,0,0,1,1|0,1,0]=3 8985 B10R1.3 COc1ccc(cn1)S[13CH3] 62a_200025704644_100000047065 [0,0,0,0,1,1|0,1,0]=3 8986 B10R1.3 COc1ccc(nc1)C#N 34a_100011934750_200000210301 [0,0,0,0,1,1|2,0,0]=4 8987 B10R1.3 COc1ccc(nc1)C#N 7a_100011934750_200000210301 [0,0,0,0,1,1|2,0,0]=4 8988 B10R1.3 COc1ccc(nc1)CN 34a_100020605196_200000210301 [0,0,0,0,1,1|2,0,0]=4 8989 B10R1.3 COc1ccc(nc1)CO 34a_103436540053_200000210301 [0,0,0,0,1,1|2,0,0]=4 8990 B10R1.3 COc1ccc(nc1)OC 34a_100011934560_200000210301 [0,0,0,0,1,1|0,0,0]=2 8991 B10R1.3 COc1ccc(nc1)OC 34a_100012002028_200000210301 [0,0,0,0,1,1|0,0,0]=2 8992 B10R1.3 COc1ccc(nc1)O[13CH3] 34a_100012002028_200025704644 [0,0,0,0,1,1|0,0,0]=2 8993 B10R1.3 COc1ccc(nc1)SC 62a_100000755202_200000210301 [0,0,0,0,1,1|0,1,0]=3 8994 B10R1.3 COc1ccc(nc1)SC 62a_200000210301_100000744180 [0,0,0,0,1,1|0,1,0]=3 8995 B10R1.3 COc1ccc(nc1)S[13CH3] 62a_100000755202_200025704644 [0,0,0,0,1,1|0,1,0]=3 8996 B10R1.3 COc1ccc(nc1)S[13CH3] 62a_200025704644_100000744180 [0,0,0,0,1,1|0,1,0]=3 8997 B10R1.3 COc1ccc(nn1)SC 62a_100009819040_200000210301 [0,0,0,0,1,1|1,1,0]=4 8998 B10R1.3 COc1ccc(nn1)SC 62a_200000210301_100009819040 [0,0,0,0,1,1|1,1,0]=4 8999 B10R1.3 COc1ccc(nn1)S[13CH3] 62a_100009819040_200025704644 [0,0,0,0,1,1|1,1,0]=4 9000 B10R1.3 COc1ccc(nn1)S[13CH3] 62a_200025704644_100009819040 [0,0,0,0,1,1|1,1,0]=4 9001 B10R1.3 COc1cnc(cn1)SC 62a_100011998698_200000210301 [0,0,0,0,1,1|1,1,0]=4 9002 B10R1.3 COc1cnc(cn1)SC 62a_200000210301_100011998698 [0,0,0,0,1,1|1,1,0]=4 9003 B10R1.3 COc1cnc(cn1)S[13CH3] 62a_100011998698_200025704644 [0,0,0,0,1,1|1,1,0]=4 9004 B10R1.3 COc1cnc(cn1)S[13CH3] 62a_200025704644_100011998698 [0,0,0,0,1,1|1,1,0]=4 9005 B10R1.3 COc1cnc(nc1)OC 34a_100000099601_200000210301 [0,0,0,0,1,1|1,0,0]=3 9006 B10R1.3 COc1cnc(nc1)OC 7a_100000099601_200000210301 [0,0,0,0,1,1|1,0,0]=3 9007 B10R1.3 COc1cnc(nc1)SC 34a_100000075549_200000210301 [0,0,0,0,1,1|1,1,0]=4 9008 B10R1.3 COc1cnc(nc1)SC 62a_100000069167_200000210301 [0,0,0,0,1,1|1,1,0]=4 9009 B10R1.3 COc1cnc(nc1)SC 62a_200000210301_100000069167 [0,0,0,0,1,1|1,1,0]=4 9010 B10R1.3 COc1cnc(nc1)SC 7a_100000075549_200000210301 [0,0,0,0,1,1|1,1,0]=4 9011 B10R1.3 COc1cnc(nc1)S[13CH3] 62a_100000069167_200025704644 [0,0,0,0,1,1|1,1,0]=4 9012 B10R1.3 COc1cnc(nc1)S[13CH3] 62a_200025704644_100000069167 [0,0,0,0,1,1|1,1,0]=4 9013 B10R1.3 COc1ncc(cn1)O[13CH3] 34a_100000099601_200025704644 [0,0,0,0,1,1|1,0,0]=3 9014 B10R1.3 COc1ncc(cn1)O[13CH3] 7a_100000099601_200025704644 [0,0,0,0,1,1|1,0,0]=3 9015 B10R1.3 COc1ncc(cn1)SC 62a_100000686852_200000210301 [0,0,0,0,1,1|1,1,0]=4 9016 B10R1.3 COc1ncc(cn1)SC 62a_200000210301_100000686852 [0,0,0,0,1,1|1,1,0]=4 9017 B10R1.3 COc1ncc(cn1)S[13CH3] 62a_100000686852_200025704644 [0,0,0,0,1,1|1,1,0]=4 9018 B10R1.3 COc1ncc(cn1)S[13CH3] 62a_200025704644_100000686852 [0,0,0,0,1,1|1,1,0]=4 9019 B10R1.3 CSc1ccc(cc1)N[13CH3] 34a_100000212337_200025704644 [0,0,0,0,1,1|1,1,0]=4 9020 B10R1.3 CSc1ccc(cc1)O[13CH3] 34a_100000211864_200025704644 [0,0,0,0,1,1|0,1,0]=3 9021 B10R1.3 CSc1ccc(cc1)SC 62a_100011263217_200000210301 [0,0,0,0,1,1|0,2,0]=4 9022 B10R1.3 CSc1ccc(cc1)SC 62a_200000210301_100011263217 [0,0,0,0,1,1|0,2,0]=4 9023 B10R1.3 CSc1ccc(cc1)S[13CH3] 62a_100011263217_200025704644 [0,0,0,0,1,1|0,2,0]=4 9024 B10R1.3 CSc1ccc(cc1)S[13CH3] 62a_200025704644_100011263217 [0,0,0,0,1,1|0,2,0]=4 9025 B10R1.3 CSc1ccc(cn1)S[13CH3] 62a_100011408404_200025704644 [0,0,0,0,1,1|0,2,0]=4 9026 B10R1.3 CSc1ccc(cn1)S[13CH3] 62a_200025704644_100011408404 [0,0,0,0,1,1|0,2,0]=4 9027 B10R1.3 CSc1ccc(nc1)SC 62a_100009820866_200000210301 [0,0,0,0,1,1|0,2,0]=4 9028 B10R1.3 CSc1ccc(nc1)SC 62a_100011408404_200000210301 [0,0,0,0,1,1|0,2,0]=4 9029 B10R1.3 CSc1ccc(nc1)SC 62a_200000210301_100009820866 [0,0,0,0,1,1|0,2,0]=4 9030 B10R1.3 CSc1ccc(nc1)SC 62a_200000210301_100011408404 [0,0,0,0,1,1|0,2,0]=4 9031 B10R1.3 CSc1ccc(nc1)S[13CH3] 62a_100009820866_200025704644 [0,0,0,0,1,1|0,2,0]=4 9032 B10R1.3 CSc1ccc(nc1)S[13CH3] 62a_200025704644_100009820866 [0,0,0,0,1,1|0,2,0]=4 9033 B10R1.3 CSc1ncc(cn1)O[13CH3] 34a_100000075549_200025704644 [0,0,0,0,1,1|1,1,0]=4 9034 B10R1.3 CSc1ncc(cn1)O[13CH3] 7a_100000075549_200025704644 [0,0,0,0,1,1|1,1,0]=4 9035 B10R1.3 [13CH3]Oc1ccc(cc1)C#N 34a_100000210344_200025704644 [0,0,0,0,1,1|2,0,0]=4 9036 B10R1.3 [13CH3]Oc1ccc(cc1)C#N 7a_100000210344_200025704644 [0,0,0,0,1,1|2,0,0]=4 9037 B10R1.3 [13CH3]Oc1ccc(cc1)CN 34a_100000185549_200025704644 [0,0,0,0,1,1|2,0,0]=4 9038 B10R1.3 [13CH3]Oc1ccc(cc1)CO 34a_100000211755_200025704644 [0,0,0,0,1,1|2,0,0]=4 9039 B10R1.3 [13CH3]Oc1ccc(cn1)CN 34a_100000757128_200025704644 [0,0,0,0,1,1|2,0,0]=4 9040 B10R1.3 [13CH3]Oc1ccc(nc1)C#N 34a_100011934750_200025704644 [0,0,0,0,1,1|2,0,0]=4 9041 B10R1.3 [13CH3]Oc1ccc(nc1)C#N 7a_100011934750_200025704644 [0,0,0,0,1,1|2,0,0]=4 9042 B10R1.3 [13CH3]Oc1ccc(nc1)CN 34a_100020605196_200025704644 [0,0,0,0,1,1|2,0,0]=4 9043 B10R1.3 [13CH3]Oc1ccc(nc1)CO 34a_103436540053_200025704644 [0,0,0,0,1,1|2,0,0]=4