0 B10R1.15 ONC(=O)c1cccnc1 CSC000190125 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.15 ONC(=O)c1ncccn1 CSC012178745 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.6 CS(=O)c1ccccc1 CSC000038873 [1,0,0,0,0,0|1,0,0]=2 3 B9R1.6 CS(=O)c1ccccn1 CSC000064355 [1,0,0,0,0,0|2,0,0]=3 4 B9R1.8 CCSc1ncccn1 CSC000000290 [1,0,0,0,0,0|3,0,0]=4 5 B11R1.7 CCS(=O)(=O)c1ccccc1 CSC000031125 [0,1,0,0,0,0|1,0,0]=2 6 B11R1.7 CNS(=O)(=O)c1ccccc1 CSC000165098 [0,1,0,0,0,0|2,0,0]=3 7 B11R1.12 CCC(NC)c1ccccc1 CSC000737544 [0,1,0,0,0,0|1,0,1]=3 8 B11R1.16 CCNC(=O)c1ccccc1 CSC000160121 [0,1,0,0,0,0|0,0,0]=1 9 B11R1.16 CCNC(=O)c1cccnc1 CSC000160098 [0,1,0,0,0,0|1,0,0]=2 10 B11R1.16 CCNC(C)c1ccccc1 CSC000187283 [0,1,0,0,0,0|1,0,1]=3 11 B11R1.16 CCOC(=O)c1ccccn1 CSC000169882 [0,1,0,0,0,0|1,0,0]=2 12 B11R1.16 CCOC(=O)c1ccncc1 CSC000169898 [0,1,0,0,0,0|1,0,0]=2 13 B11R1.16 CCOC(=O)c1ccncn1 CSC012000388 [0,1,0,0,0,0|2,0,0]=3 14 B11R1.16 CCOC(=O)c1cnccn1 CSC000170199 [0,1,0,0,0,0|2,0,0]=3 15 B11R1.16 CCOC(=O)c1cncnc1 CSC011934276 [0,1,0,0,0,0|2,0,0]=3 16 B11R1.16 CN(CC=C)c1ccccc1 CSC000018674 [0,1,0,0,0,0|2,0,1]=4 17 B11R1.16 CN(CCN)c1ccccc1 CSC000231046 [0,1,0,0,0,0|2,0,0]=3 18 B11R1.16 CSCC(=O)c1ccccc1 CSC000748581 [0,1,0,0,0,0|0,0,0]=1 19 B11R1.22 CNC(=O)c1ccc(cc1)C CSC000159850 [0,1,0,0,0,0|1,0,0]=2 20 B11R1.22 CNC(=O)c1ccc(cc1)Cl CSC000159809 [0,1,0,0,0,0|1,0,0]=2 21 B11R1.22 CNC(=O)c1ccc(cc1)F CSC000159806 [0,1,0,0,0,0|1,0,0]=2 22 B11R1.22 CNC(=O)c1cnc(cn1)C CSC000159899 [0,1,0,0,0,0|3,0,0]=4 23 B11R1.22 COC(=O)c1cc[n+](cc1)[O-] CSC000000494 [0,1,0,0,0,0|2,0,0]=3 24 B11R1.22 COC(=O)c1ccc(cc1)Cl CSC000150334 [0,1,0,0,0,0|1,0,0]=2 25 B11R1.22 COC(=O)c1ccc(cc1)F CSC000150329 [0,1,0,0,0,0|1,0,0]=2 26 B11R1.22 COC(=O)c1ccc(cn1)Br CSC000697650 [0,1,0,0,0,0|2,0,0]=3 27 B11R1.22 COC(=O)c1ccc(cn1)Cl CSC000743185 [0,1,0,0,0,0|2,0,0]=3 28 B11R1.22 COC(=O)c1ccc(cn1)F CSC012017284 [0,1,0,0,0,0|2,0,0]=3 29 B11R1.22 COC(=O)c1ccc(nc1)C CSC000740734 [0,1,0,0,0,0|2,0,0]=3 30 B11R1.22 COC(=O)c1ccc(nc1)F CSC011934332 [0,1,0,0,0,0|2,0,0]=3 31 B11R1.22 COC(=O)c1cnc(cn1)C CSC000149074 [0,1,0,0,0,0|3,0,0]=4 32 B11R1.22 Cc1ccc(cn1)C(=O)NN CSC011193134 [0,1,0,0,0,0|3,0,0]=4 33 B11R1.22 NNC(=O)c1ccc(cc1)I CSC000189773 [0,1,0,0,0,0|2,0,0]=3 34 B11R1.22 NNC(=O)c1ccc(cc1)N CSC000186298 [0,1,0,0,0,0|2,0,0]=3 35 B11R1.22 NNC(=O)c1ccc(cn1)F CSC012021870 [0,1,0,0,0,0|3,0,0]=4 36 B11R1.23 CNC(=O)c1cccc(c1)Br CSC000155082 [0,1,0,0,0,0|1,0,0]=2 37 B11R1.23 CNC(=O)c1cccc(c1)C CSC000159928 [0,1,0,0,0,0|1,0,0]=2 38 B11R1.23 CNC(=O)c1cccc(c1)Cl CSC000159822 [0,1,0,0,0,0|1,0,0]=2 39 B11R1.23 CNC(=O)c1cccc(c1)F CSC000159920 [0,1,0,0,0,0|1,0,0]=2 40 B11R1.23 CNC(=O)c1cccc(c1)I CSC000155084 [0,1,0,0,0,0|1,0,0]=2 41 B11R1.23 CNC(=O)c1cccc(c1)O CSC000159807 [0,1,0,0,0,0|1,0,0]=2 42 B11R1.23 CNC(=O)c1cncc(c1)Br CSC000155086 [0,1,0,0,0,0|2,0,0]=3 43 B11R1.23 COC(=O)c1cc[nH]c(=O)c1 CSC011935111 [0,1,0,0,0,0|2,0,0]=3 44 B11R1.23 COC(=O)c1cccc(c1)Br CSC000148679 [0,1,0,0,0,0|1,0,0]=2 45 B11R1.23 COC(=O)c1cccc(c1)C CSC000149472 [0,1,0,0,0,0|1,0,0]=2 46 B11R1.23 COC(=O)c1cccc(c1)Cl CSC000150768 [0,1,0,0,0,0|1,0,0]=2 47 B11R1.23 COC(=O)c1cccc(c1)F CSC000148988 [0,1,0,0,0,0|1,0,0]=2 48 B11R1.23 COC(=O)c1cccc(c1)I CSC000148848 [0,1,0,0,0,0|1,0,0]=2 49 B11R1.23 COC(=O)c1cccc(c1)O CSC000150331 [0,1,0,0,0,0|1,0,0]=2 50 B11R1.23 COC(=O)c1cccc(n1)C CSC000741576 [0,1,0,0,0,0|2,0,0]=3 51 B11R1.23 COC(=O)c1cccc(n1)F CSC000724373 [0,1,0,0,0,0|2,0,0]=3 52 B11R1.23 COC(=O)c1ccnc(c1)C CSC012001301 [0,1,0,0,0,0|2,0,0]=3 53 B11R1.23 COC(=O)c1ccnc(c1)F CSC011581676 [0,1,0,0,0,0|2,0,0]=3 54 B11R1.23 COC(=O)c1ccnc(n1)C CSC000054160 [0,1,0,0,0,0|3,0,0]=4 55 B11R1.23 COC(=O)c1cncc(c1)Br CSC000148912 [0,1,0,0,0,0|2,0,0]=3 56 B11R1.23 COC(=O)c1cncc(c1)Br CSC000148912 [0,1,0,0,0,0|2,0,0]=3 57 B11R1.23 COC(=O)c1cncc(c1)F CSC000698520 [0,1,0,0,0,0|2,0,0]=3 58 B11R1.23 COC(=O)c1cncc(c1)O CSC000687108 [0,1,0,0,0,0|2,0,0]=3 59 B11R1.23 Cc1cccc(c1)C(=O)NN CSC000189845 [0,1,0,0,0,0|2,0,0]=3 60 B11R1.23 NNC(=O)c1cc(ccn1)Cl CSC000017052 [0,1,0,0,0,0|3,0,0]=4 61 B11R1.23 NNC(=O)c1cccc(c1)Br CSC000189783 [0,1,0,0,0,0|2,0,0]=3 62 B11R1.23 NNC(=O)c1cccc(c1)F CSC000189798 [0,1,0,0,0,0|2,0,0]=3 63 B11R1.23 NNC(=O)c1cccc(c1)I CSC000186306 [0,1,0,0,0,0|2,0,0]=3 64 B11R1.23 NNC(=O)c1cncc(c1)Br CSC000189809 [0,1,0,0,0,0|3,0,0]=4 65 B11R1.36 CN(C)C(=O)c1ccccc1 CSC000159565 [0,1,0,0,0,0|1,0,0]=2 66 B11R1.36 CN(C)C(=O)c1cccnc1 CSC000159538 [0,1,0,0,0,0|2,0,0]=3 67 B11R1.222 CNC(=O)c1ccccc1Br CSC000155073 [0,1,0,0,0,0|1,0,0]=2 68 B11R1.222 CNC(=O)c1ccccc1C CSC000159864 [0,1,0,0,0,0|1,0,0]=2 69 B11R1.222 CNC(=O)c1ccccc1Cl CSC000159797 [0,1,0,0,0,0|1,0,0]=2 70 B11R1.222 CNC(=O)c1ccccc1Cl CSC000159797 [0,1,0,0,0,0|1,0,0]=2 71 B11R1.222 CNC(=O)c1ccccc1I CSC000155083 [0,1,0,0,0,0|1,0,0]=2 72 B11R1.222 CNC(=O)c1ccccc1O CSC000185920 [0,1,0,0,0,0|1,0,0]=2 73 B11R1.222 CNC(=O)c1cccnc1C CSC011922290 [0,1,0,0,0,0|2,0,0]=3 74 B11R1.222 CNC(=O)c1nccnc1N CSC000025198 [0,1,0,0,0,0|3,0,0]=4 75 B11R1.222 COC(=O)c1ccccc1Cl CSC000150121 [0,1,0,0,0,0|1,0,0]=2 76 B11R1.222 COC(=O)c1ccccc1I CSC000148710 [0,1,0,0,0,0|1,0,0]=2 77 B11R1.222 COC(=O)c1cccnc1C CSC011216498 [0,1,0,0,0,0|2,0,0]=3 78 B11R1.222 COC(=O)c1cccnc1F CSC011934352 [0,1,0,0,0,0|2,0,0]=3 79 B11R1.222 COC(=O)c1ccncc1Br CSC010008606 [0,1,0,0,0,0|2,0,0]=3 80 B11R1.222 COC(=O)c1ccncc1C CSC011934321 [0,1,0,0,0,0|2,0,0]=3 81 B11R1.222 COC(=O)c1ccncc1Cl CSC000699585 [0,1,0,0,0,0|2,0,0]=3 82 B11R1.222 COC(=O)c1ccncc1F CSC000702545 [0,1,0,0,0,0|2,0,0]=3 83 B11R1.222 COC(=O)c1cnccc1C CSC011999757 [0,1,0,0,0,0|2,0,0]=3 84 B11R1.222 COC(=O)c1cnccc1Cl CSC012001583 [0,1,0,0,0,0|2,0,0]=3 85 B11R1.222 COC(=O)c1ncccc1Br CSC011935214 [0,1,0,0,0,0|2,0,0]=3 86 B11R1.222 COC(=O)c1ncccc1Cl CSC000093117 [0,1,0,0,0,0|2,0,0]=3 87 B11R1.222 COC(=O)c1ncccc1F CSC000084157 [0,1,0,0,0,0|2,0,0]=3 88 B11R1.222 COC(=O)c1nccnc1C CSC000090199 [0,1,0,0,0,0|3,0,0]=4 89 B11R1.222 NNC(=O)c1ccccc1Cl CSC000186534 [0,1,0,0,0,0|2,0,0]=3 90 B11R1.222 NNC(=O)c1ccccc1I CSC000190081 [0,1,0,0,0,0|2,0,0]=3 91 B11R1.222 NNC(=O)c1ccccc1O CSC000186518 [0,1,0,0,0,0|2,0,0]=3 92 B9R1.11 COC(=O)c1cccs1 CSC000148991 [0,0,0,0,1,0|2,0,0]=3 93 B9R1.11 COC(=O)c1ccsc1 CSC000194046 [0,0,0,0,1,0|2,0,0]=3 94 B9R1.11 COC(=O)c1cncs1 CSC000241751 [0,0,0,0,1,0|3,0,0]=4 95 B9R1.11 COC(=O)c1cscn1 CSC011218915 [0,0,0,0,1,0|3,0,0]=4 96 B9R1.11 NNC(=O)c1cccs1 CSC000184746 [0,0,0,0,1,0|3,0,0]=4 97 B9R1.11 NNC(=O)c1ccsc1 CSC000193922 [0,0,0,0,1,0|3,0,0]=4 98 B11R1.40 CCC(=O)Nc1ccccc1 CSC000153483 [0,0,0,0,0,1|0,0,0]=1 99 B11R1.40 CCC(=O)Nc1ccccn1 CSC000017115 [0,0,0,0,0,1|1,0,0]=2 100 B11R1.40 CCC(=O)Nc1cccnc1 CSC000159158 [0,0,0,0,0,1|1,0,0]=2 101 B11R1.40 CCC(=O)Oc1ccccc1 CSC000001944 [0,0,0,0,0,1|0,0,0]=1 102 B11R1.40 CCC(C)Sc1ccccc1 CSC009831573 [0,0,0,0,0,1|1,0,1]=3 103 B11R1.40 CCN(C)Cc1ccccc1 CSC000018720 [0,0,0,0,0,1|2,0,0]=3 104 B11R1.40 CNC(=O)Nc1ccccc1 CSC000178567 [0,0,0,0,0,1|1,0,0]=2 105 B11R1.40 CNC(=O)Nc1ccccn1 CSC000024314 [0,0,0,0,0,1|2,0,0]=3 106 B11R1.40 CNC(=O)Nc1cccnc1 CSC000233841 [0,0,0,0,0,1|2,0,0]=3 107 B11R1.40 COC(=O)Oc1ccccc1 CSC000020726 [0,0,0,0,0,1|1,0,0]=2 108 B11R1.40 NCC(=O)Nc1ccccc1 CSC000168422 [0,0,0,0,0,1|1,0,0]=2 109 B11R1.40 NCC(=O)Nc1ccncc1 CSC000238581 [0,0,0,0,0,1|2,0,0]=3 110 B10R1.13 CS(=O)c1ccc(cc1)Br CSC009816266 [1,1,0,0,0,0|1,0,0]=3 111 B10R1.13 CS(=O)c1ccc(cc1)Cl CSC000064343 [1,1,0,0,0,0|1,0,0]=3 112 B10R1.13 CS(=O)c1ccc(cc1)F CSC011920622 [1,1,0,0,0,0|1,0,0]=3 113 B10R1.13 CS(=O)c1ccc(cc1)O CSC000064373 [1,1,0,0,0,0|1,0,0]=3 114 B10R1.13 Cc1ccc(cc1)S(=O)C CSC000031592 [1,1,0,0,0,0|1,0,0]=3 115 B10R1.13 NC(=O)c1ccc(cc1)Cl CSC000162172 [1,1,0,0,0,0|1,0,0]=3 116 B10R1.13 NC(=O)c1ccc(cc1)I CSC000162191 [1,1,0,0,0,0|1,0,0]=3 117 B10R1.13 NC(=O)c1ccc(cn1)Br CSC011219284 [1,1,0,0,0,0|2,0,0]=4 118 B10R1.13 NC(=O)c1ccc(cn1)Cl CSC011834066 [1,1,0,0,0,0|2,0,0]=4 119 B10R1.13 NC(=O)c1ccc(cn1)F CSC012180490 [1,1,0,0,0,0|2,0,0]=4 120 B10R1.28 CS(=O)(=O)c1ccccc1 CSC000685546 [1,1,0,0,0,0|1,0,0]=3 121 B10R1.61 CS(=O)c1ccccc1F CSC011216808 [1,1,0,0,0,0|1,0,0]=3 122 B10R1.61 NC(=O)c1ccccc1Br CSC000162158 [1,1,0,0,0,0|1,0,0]=3 123 B10R1.61 NC(=O)c1ccccc1Cl CSC000162159 [1,1,0,0,0,0|1,0,0]=3 124 B10R1.61 NC(=O)c1ccccc1I CSC000162227 [1,1,0,0,0,0|1,0,0]=3 125 B10R1.61 NC(=O)c1cccnc1F CSC012002233 [1,1,0,0,0,0|2,0,0]=4 126 B10R1.61 NC(=O)c1ccncc1F CSC000698873 [1,1,0,0,0,0|2,0,0]=4 127 B10R1.61 NC(=O)c1ncccc1Cl CSC000099198 [1,1,0,0,0,0|2,0,0]=4 128 B10R1.61 NC(=O)c1ncccc1F CSC009850871 [1,1,0,0,0,0|2,0,0]=4 129 B10R1.113 NC(=O)c1cc(ccn1)Cl CSC000229564 [1,1,0,0,0,0|2,0,0]=4 130 B10R1.113 NC(=O)c1cccc(c1)Br CSC000162208 [1,1,0,0,0,0|1,0,0]=3 131 B10R1.113 NC(=O)c1cccc(c1)I CSC000162231 [1,1,0,0,0,0|1,0,0]=3 132 B10R1.113 NC(=O)c1cccc(n1)F CSC011830463 [1,1,0,0,0,0|2,0,0]=4 133 B10R1.113 NC(=O)c1cncc(c1)Br CSC000162242 [1,1,0,0,0,0|2,0,0]=4 134 B10R1.113 NC(=O)c1cncc(c1)F CSC011996012 [1,1,0,0,0,0|2,0,0]=4 135 B10R1.1 CCNc1ccc(cc1)Cl CSC000220165 [1,1,0,0,0,0|1,0,0]=3 136 B10R1.1 CCNc1ccc(cn1)Br CSC000741496 [1,1,0,0,0,0|2,0,0]=4 137 B10R1.1 CCOc1ccc(cc1)Br CSC000169946 [1,1,0,0,0,0|1,0,0]=3 138 B10R1.1 CCOc1ccc(cc1)Cl CSC000169960 [1,1,0,0,0,0|1,0,0]=3 139 B10R1.1 CCOc1ccc(cc1)I CSC000171712 [1,1,0,0,0,0|1,0,0]=3 140 B10R1.1 CCSc1ccc(cc1)Br CSC009811893 [1,1,0,0,0,0|1,0,0]=3 141 B10R1.1 CCSc1ccc(cc1)C CSC000006686 [1,1,0,0,0,0|1,0,0]=3 142 B10R1.1 CCSc1ccc(cc1)Cl CSC000005996 [1,1,0,0,0,0|1,0,0]=3 143 B10R1.1 CCSc1ccc(cc1)F CSC000006007 [1,1,0,0,0,0|1,0,0]=3 144 B10R1.1 CSCc1ccc(cc1)C CSC000051358 [1,1,0,0,0,0|1,0,1]=4 145 B10R1.1 CSCc1ccc(cc1)Cl CSC000000312 [1,1,0,0,0,0|1,0,1]=4 146 B10R1.1 CSCc1ccc(cc1)F CSC000051356 [1,1,0,0,0,0|1,0,1]=4 147 B10R1.4 CCNc1ccccc1Cl CSC000219383 [1,1,0,0,0,0|1,0,0]=3 148 B10R1.4 CCOc1ccccc1Cl CSC000169953 [1,1,0,0,0,0|1,0,0]=3 149 B10R1.4 CCOc1ccccc1F CSC000172994 [1,1,0,0,0,0|1,0,0]=3 150 B10R1.4 CCSc1ccccc1C CSC000053911 [1,1,0,0,0,0|1,0,0]=3 151 B10R1.4 CCSc1ccccc1Cl CSC000006683 [1,1,0,0,0,0|1,0,0]=3 152 B10R1.4 CSCc1ccccc1Br CSC000148299 [1,1,0,0,0,0|1,0,1]=4 153 B10R1.4 CSCc1ccccc1Cl CSC000051354 [1,1,0,0,0,0|1,0,1]=4 154 B10R1.10 CCOc1cccc(c1)Cl CSC000170019 [1,1,0,0,0,0|1,0,0]=3 155 B10R1.10 CCOc1cccc(c1)F CSC000170038 [1,1,0,0,0,0|1,0,0]=3 156 B10R1.10 CCSc1cccc(c1)C CSC000055746 [1,1,0,0,0,0|1,0,0]=3 157 B10R1.10 CCSc1cccc(c1)Cl CSC000059004 [1,1,0,0,0,0|1,0,0]=3 158 B10R1.10 CCSc1cccc(c1)F CSC000106542 [1,1,0,0,0,0|1,0,0]=3 159 B10R1.10 CSCc1cccc(c1)Cl CSC000051353 [1,1,0,0,0,0|1,0,1]=4 160 B10R1.10 CSCc1cccc(c1)F CSC000053058 [1,1,0,0,0,0|1,0,1]=4 161 B10R1.17 C#CCSc1ccccc1 CSC000172648 [1,1,0,0,0,0|1,0,1]=4 162 B10R1.17 C=CCSc1ccccc1 CSC000006400 [1,1,0,0,0,0|1,0,1]=4 163 B10R1.17 CCCSc1ccccc1 CSC000005822 [1,1,0,0,0,0|0,0,1]=3 164 B10R1.17 CCCSc1ccccn1 CSC000006455 [1,1,0,0,0,0|1,0,1]=4 165 B10R1.17 CCSCc1ccccc1 CSC000006444 [1,1,0,0,0,0|0,0,1]=3 166 B10R1.17 COCSc1ccccc1 CSC000000817 [1,1,0,0,0,0|1,0,0]=3 167 B10R1.17 CSCCc1ccncc1 CSC015420737 [1,1,0,0,0,0|1,0,1]=4 168 B10R1.17 OCCSc1ccccc1 CSC000230494 [1,1,0,0,0,0|1,0,0]=3 169 B10R1.17 OCCSc1ccccn1 CSC000156319 [1,1,0,0,0,0|2,0,0]=4 170 B10R1.17 OCCSc1ccncc1 CSC011297907 [1,1,0,0,0,0|2,0,0]=4 171 B10R1.18 CS(=O)Cc1ccccc1 CSC000064350 [1,1,0,0,0,0|1,0,1]=4 172 B10R1.11 CCNC(=O)c1cccs1 CSC000160180 [0,1,0,0,1,0|1,0,0]=3 173 B10R1.11 CCNC(=O)c1cnco1 CSC016126841 [0,1,0,0,1,0|2,0,0]=4 174 B10R1.11 CCOC(=O)c1ccco1 CSC000169938 [0,1,0,0,1,0|1,0,0]=3 175 B10R1.11 CCOC(=O)c1cccs1 CSC000170332 [0,1,0,0,1,0|1,0,0]=3 176 B10R1.11 CCOC(=O)c1ccoc1 CSC011213098 [0,1,0,0,1,0|1,0,0]=3 177 B10R1.11 CCOC(=O)c1ccsc1 CSC011212746 [0,1,0,0,1,0|1,0,0]=3 178 B10R1.11 CCOC(=O)c1nccs1 CSC011468584 [0,1,0,0,1,0|2,0,0]=4 179 B10R1.14 CNC(=O)c1ccc(s1)Br CSC000155069 [0,1,0,0,1,0|2,0,0]=4 180 B10R1.14 COC(=O)c1cc(c[nH]1)Br CSC000205823 [0,1,0,0,1,0|2,0,0]=4 181 B10R1.14 COC(=O)c1cc(c[nH]1)F CSC000100949 [0,1,0,0,1,0|2,0,0]=4 182 B10R1.14 COC(=O)c1cc(co1)Br CSC009992624 [0,1,0,0,1,0|2,0,0]=4 183 B10R1.14 COC(=O)c1cc(cs1)Br CSC009815473 [0,1,0,0,1,0|2,0,0]=4 184 B10R1.14 COC(=O)c1cc(cs1)C CSC000040733 [0,1,0,0,1,0|2,0,0]=4 185 B10R1.14 COC(=O)c1ccc(o1)C CSC000151062 [0,1,0,0,1,0|2,0,0]=4 186 B10R1.14 COC(=O)c1ccc(o1)Cl CSC000191419 [0,1,0,0,1,0|2,0,0]=4 187 B10R1.14 COC(=O)c1ccc(s1)Br CSC000148107 [0,1,0,0,1,0|2,0,0]=4 188 B10R1.14 COC(=O)c1ccc(s1)C CSC000150765 [0,1,0,0,1,0|2,0,0]=4 189 B10R1.14 COC(=O)c1ccc(s1)Cl CSC000148076 [0,1,0,0,1,0|2,0,0]=4 190 B10R1.14 COC(=O)c1coc(c1)C CSC012017277 [0,1,0,0,1,0|2,0,0]=4 191 B10R1.14 COC(=O)c1csc(c1)Br CSC000692058 [0,1,0,0,1,0|2,0,0]=4 192 B10R1.23 CN(C)C(=O)c1cccs1 CSC000159634 [0,1,0,0,1,0|2,0,0]=4 193 B10R1.23 CN(C)C(=O)c1ccsc1 CSC000194205 [0,1,0,0,1,0|2,0,0]=4 194 B10R1.149 COC(=O)c1ccoc1Br CSC011935261 [0,1,0,0,1,0|2,0,0]=4 195 B10R1.149 COC(=O)c1ccoc1C CSC000198963 [0,1,0,0,1,0|2,0,0]=4 196 B10R1.149 COC(=O)c1ccsc1Br CSC009822520 [0,1,0,0,1,0|2,0,0]=4 197 B10R1.149 COC(=O)c1ccsc1C CSC012003538 [0,1,0,0,1,0|2,0,0]=4 198 B10R1.149 COC(=O)c1cocc1C CSC009857685 [0,1,0,0,1,0|2,0,0]=4 199 B10R1.149 COC(=O)c1cscc1Br CSC012351140 [0,1,0,0,1,0|2,0,0]=4 200 B10R1.149 COC(=O)c1sccc1Br CSC011218980 [0,1,0,0,1,0|2,0,0]=4 201 B10R1.149 COC(=O)c1sccc1C CSC000150764 [0,1,0,0,1,0|2,0,0]=4 202 B12R1.32 CCCC(=O)Oc1ccccc1 CSC000001941 [0,1,0,0,0,1|0,0,0]=2 203 B12R1.32 CCNC(=O)Nc1ccccc1 CSC000163281 [0,1,0,0,0,1|0,0,0]=2 204 B12R1.32 CCNC(=O)Nc1ccncc1 CSC000181110 [0,1,0,0,0,1|1,0,0]=3 205 B12R1.32 CNCC(=O)Nc1ccccc1 CSC000168086 [0,1,0,0,0,1|0,0,0]=2 206 B12R1.32 CNCC(=O)Nc1cccnc1 CSC011225664 [0,1,0,0,0,1|1,0,0]=3 207 B12R1.32 COCC(=O)Nc1cccnc1 CSC000159174 [0,1,0,0,0,1|1,0,0]=3 208 B12R1.32 COCC(=O)Nc1ccncc1 CSC000186599 [0,1,0,0,0,1|1,0,0]=3 209 B12R1.32 NCCC(=O)Nc1ccccc1 CSC011195676 [0,1,0,0,0,1|0,0,0]=2 210 B12R1.32 O=C(CC#N)Nc1cccnc1 CSC000238487 [0,1,0,0,0,1|1,0,1]=4 211 B12R1.32 O=C(CC#N)Nc1ccncc1 CSC000695098 [0,1,0,0,0,1|1,0,1]=4 212 B12R1.34 CCC(=O)N(C)c1ccccc1 CSC000158323 [0,1,0,0,0,1|0,0,0]=2 213 B12R1.34 CN(C(=O)CN)c1ccccc1 CSC000174886 [0,1,0,0,0,1|1,0,0]=3 214 B12R1.34 COC(=O)C(O)c1ccccc1 CSC000150732 [0,1,0,0,0,1|1,0,0]=3 215 B12R1.34 COC(=O)[C@@H](O)c1ccccc1 CSC009815906 [0,1,0,0,0,1|1,0,0]=3 216 B12R1.34 COC(=O)[C@H](O)c1ccccc1 CSC009815907 [0,1,0,0,0,1|1,0,0]=3 217 B12R1.34 NNC(=O)C(O)c1ccccc1 CSC011203043 [0,1,0,0,0,1|2,0,0]=4 218 B12R1.43 CC(C)C(=O)Nc1ccccc1 CSC000153472 [0,1,0,0,0,1|0,0,0]=2 219 B12R1.43 CC(C)C(=O)Nc1cccnc1 CSC000242802 [0,1,0,0,0,1|1,0,0]=3 220 B12R1.43 CC(C)C(=O)Oc1ccccc1 CSC000001937 [0,1,0,0,0,1|0,0,0]=2 221 B12R1.43 NC(=O)C(=O)Nc1ccccc1 CSC000015721 [0,1,0,0,0,1|1,0,1]=4 222 B12R1.49 CCC(=O)Nc1ccc(cc1)Br CSC000153582 [0,1,0,0,0,1|0,0,0]=2 223 B12R1.49 CCC(=O)Nc1ccc(cc1)C CSC000153933 [0,1,0,0,0,1|0,0,0]=2 224 B12R1.49 CCC(=O)Nc1ccc(cc1)Cl CSC000154025 [0,1,0,0,0,1|0,0,0]=2 225 B12R1.49 CCC(=O)Nc1ccc(cc1)F CSC000153719 [0,1,0,0,0,1|0,0,0]=2 226 B12R1.49 CCC(=O)Nc1ccc(cc1)O CSC000243810 [0,1,0,0,0,1|0,0,0]=2 227 B12R1.49 CCC(=O)Nc1ccc(cn1)Br CSC000193322 [0,1,0,0,0,1|1,0,0]=3 228 B12R1.49 CCC(=O)Nc1ccc(cn1)C CSC015415890 [0,1,0,0,0,1|1,0,0]=3 229 B12R1.49 CCC(=O)Nc1ccc(cn1)Cl CSC000016801 [0,1,0,0,0,1|1,0,0]=3 230 B12R1.49 CCC(=O)Nc1ccc(cn1)I CSC000243765 [0,1,0,0,0,1|1,0,0]=3 231 B12R1.49 CCC(=O)Oc1ccc(cc1)Br CSC009811598 [0,1,0,0,0,1|0,0,0]=2 232 B12R1.49 CCC(=O)Oc1ccc(cc1)Cl CSC000001868 [0,1,0,0,0,1|0,0,0]=2 233 B12R1.49 CNC(=O)Cc1ccc(cc1)Br CSC000155101 [0,1,0,0,0,1|1,0,0]=3 234 B12R1.49 CNC(=O)Cc1ccc(cc1)C CSC000185632 [0,1,0,0,0,1|1,0,0]=3 235 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl CSC000159878 [0,1,0,0,0,1|1,0,0]=3 236 B12R1.49 CNC(=O)Cc1ccc(cc1)F CSC000159896 [0,1,0,0,0,1|1,0,0]=3 237 B12R1.49 CNC(=O)Nc1ccc(cc1)Br CSC000235171 [0,1,0,0,0,1|1,0,0]=3 238 B12R1.49 CNC(=O)Nc1ccc(cc1)F CSC000178572 [0,1,0,0,0,1|1,0,0]=3 239 B12R1.49 COC(=O)Cc1ccc(cc1)Br CSC000149743 [0,1,0,0,0,1|1,0,0]=3 240 B12R1.49 COC(=O)Cc1ccc(cc1)C CSC000204387 [0,1,0,0,0,1|1,0,0]=3 241 B12R1.49 COC(=O)Cc1ccc(cc1)F CSC000148989 [0,1,0,0,0,1|1,0,0]=3 242 B12R1.49 COC(=O)Cc1ccc(cc1)I CSC012356276 [0,1,0,0,0,1|1,0,0]=3 243 B12R1.49 COC(=O)Cc1ccc(cc1)O CSC000211648 [0,1,0,0,0,1|1,0,0]=3 244 B12R1.49 COC(=O)Cc1ccc(nc1)C CSC000050249 [0,1,0,0,0,1|2,0,0]=4 245 B12R1.49 Cc1ccc(cc1)CC(=O)NN CSC000189221 [0,1,0,0,0,1|2,0,0]=4 246 B12R1.49 Cc1ccc(cc1)NC(=O)CN CSC000168395 [0,1,0,0,0,1|1,0,0]=3 247 B12R1.49 Cc1ccc(cc1)NC(=O)CO CSC000246325 [0,1,0,0,0,1|1,0,0]=3 248 B12R1.49 NCC(=O)Nc1ccc(cc1)Br CSC000168324 [0,1,0,0,0,1|1,0,0]=3 249 B12R1.49 NCC(=O)Nc1ccc(cc1)Cl CSC000168449 [0,1,0,0,0,1|1,0,0]=3 250 B12R1.49 NCC(=O)Nc1ccc(cc1)F CSC000168424 [0,1,0,0,0,1|1,0,0]=3 251 B12R1.49 NNC(=O)Cc1ccc(cc1)Br CSC000189848 [0,1,0,0,0,1|2,0,0]=4 252 B12R1.49 NNC(=O)Nc1ccc(cc1)Br CSC000744892 [0,1,0,0,0,1|2,0,0]=4 253 B12R1.49 NNC(=O)Nc1ccc(cc1)Cl CSC000756480 [0,1,0,0,0,1|2,0,0]=4 254 B12R1.50 CCC(=O)Nc1cccc(c1)Br CSC000153628 [0,1,0,0,0,1|0,0,0]=2 255 B12R1.50 CCC(=O)Nc1cccc(c1)C CSC000153655 [0,1,0,0,0,1|0,0,0]=2 256 B12R1.50 CCC(=O)Nc1cccc(c1)Cl CSC000153961 [0,1,0,0,0,1|0,0,0]=2 257 B12R1.50 CCC(=O)Nc1cccc(c1)F CSC000153973 [0,1,0,0,0,1|0,0,0]=2 258 B12R1.50 CCC(=O)Nc1cccc(c1)O CSC000158609 [0,1,0,0,0,1|0,0,0]=2 259 B12R1.50 CNC(=O)Cc1cccc(c1)Br CSC011714096 [0,1,0,0,0,1|1,0,0]=3 260 B12R1.50 CNC(=O)Cc1cccc(c1)Cl CSC011795159 [0,1,0,0,0,1|1,0,0]=3 261 B12R1.50 CNC(=O)Cc1cccc(c1)F CSC000159957 [0,1,0,0,0,1|1,0,0]=3 262 B12R1.50 CNC(=O)Nc1cccc(c1)Br CSC000235173 [0,1,0,0,0,1|1,0,0]=3 263 B12R1.50 CNC(=O)Nc1cccc(c1)C CSC000178579 [0,1,0,0,0,1|1,0,0]=3 264 B12R1.50 CNC(=O)Nc1cccc(c1)Cl CSC000178564 [0,1,0,0,0,1|1,0,0]=3 265 B12R1.50 CNC(=O)Nc1cccc(c1)F CSC000235183 [0,1,0,0,0,1|1,0,0]=3 266 B12R1.50 COC(=O)Cc1cccc(c1)Br CSC000699549 [0,1,0,0,0,1|1,0,0]=3 267 B12R1.50 COC(=O)Cc1cccc(c1)C CSC011661688 [0,1,0,0,0,1|1,0,0]=3 268 B12R1.50 COC(=O)Cc1cccc(c1)Cl CSC011690634 [0,1,0,0,0,1|1,0,0]=3 269 B12R1.50 COC(=O)Cc1cccc(c1)F CSC000151121 [0,1,0,0,0,1|1,0,0]=3 270 B12R1.50 Cc1cccc(c1)NC(=O)CN CSC000168384 [0,1,0,0,0,1|1,0,0]=3 271 B12R1.50 Cc1cccc(c1)NC(=O)CO CSC000749660 [0,1,0,0,0,1|1,0,0]=3 272 B12R1.50 NCC(=O)Nc1cccc(c1)Br CSC000168392 [0,1,0,0,0,1|1,0,0]=3 273 B12R1.50 NCC(=O)Nc1cccc(c1)Cl CSC000168427 [0,1,0,0,0,1|1,0,0]=3 274 B12R1.50 NCC(=O)Nc1cccc(c1)F CSC000168492 [0,1,0,0,0,1|1,0,0]=3 275 B12R1.50 NNC(=O)Cc1cccc(c1)Cl CSC011203430 [0,1,0,0,0,1|2,0,0]=4 276 B12R1.50 NNC(=O)Cc1cccc(c1)F CSC000189928 [0,1,0,0,0,1|2,0,0]=4 277 B12R1.50 NNC(=O)Nc1cccc(c1)Cl CSC000752571 [0,1,0,0,0,1|2,0,0]=4 278 B12R1.118 CCN(CC)Cc1ccccc1 CSC000184721 [0,1,0,0,0,1|2,0,0]=4 279 B12R1.194 CCS(=O)(=O)Cc1ccccc1 CSC000047422 [0,1,0,0,0,1|1,0,0]=3 280 B12R1.194 CCS(=O)(=O)Nc1cccnc1 CSC000169631 [0,1,0,0,0,1|2,0,0]=4 281 B12R1.371 CCC(=O)Nc1ccccc1Br CSC000153536 [0,1,0,0,0,1|0,0,0]=2 282 B12R1.371 CCC(=O)Nc1ccccc1C CSC000153667 [0,1,0,0,0,1|0,0,0]=2 283 B12R1.371 CCC(=O)Nc1ccccc1Cl CSC000153746 [0,1,0,0,0,1|0,0,0]=2 284 B12R1.371 CCC(=O)Nc1ccccc1F CSC000154229 [0,1,0,0,0,1|0,0,0]=2 285 B12R1.371 CCC(=O)Nc1ccccc1I CSC000154056 [0,1,0,0,0,1|0,0,0]=2 286 B12R1.371 CCC(=O)Oc1ccccc1Cl CSC000001856 [0,1,0,0,0,1|0,0,0]=2 287 B12R1.371 CNC(=O)Cc1ccccc1Br CSC009816160 [0,1,0,0,0,1|1,0,0]=3 288 B12R1.371 CNC(=O)Cc1ccccc1C CSC000175625 [0,1,0,0,0,1|1,0,0]=3 289 B12R1.371 CNC(=O)Cc1ccccc1Cl CSC000159959 [0,1,0,0,0,1|1,0,0]=3 290 B12R1.371 CNC(=O)Cc1ccccc1F CSC000159918 [0,1,0,0,0,1|1,0,0]=3 291 B12R1.371 CNC(=O)Cc1ccccc1N CSC000738506 [0,1,0,0,0,1|1,0,0]=3 292 B12R1.371 CNC(=O)Nc1ccccc1C CSC000235315 [0,1,0,0,0,1|1,0,0]=3 293 B12R1.371 CNC(=O)Nc1ccccc1Cl CSC000178583 [0,1,0,0,0,1|1,0,0]=3 294 B12R1.371 CNC(=O)Nc1ncccc1C CSC000048767 [0,1,0,0,0,1|2,0,0]=4 295 B12R1.371 COC(=O)Cc1ccccc1Br CSC000699816 [0,1,0,0,0,1|1,0,0]=3 296 B12R1.371 COC(=O)Cc1ccccc1C CSC000175439 [0,1,0,0,0,1|1,0,0]=3 297 B12R1.371 COC(=O)Cc1ccccc1F CSC000149365 [0,1,0,0,0,1|1,0,0]=3 298 B12R1.371 COC(=O)Cc1ccccc1O CSC000758901 [0,1,0,0,0,1|1,0,0]=3 299 B12R1.371 Cc1ccccc1CC(=O)NN CSC000190038 [0,1,0,0,0,1|2,0,0]=4 300 B12R1.371 Cc1ccccc1CC(=O)NO CSC000190267 [0,1,0,0,0,1|2,0,0]=4 301 B12R1.371 Cc1ccccc1NC(=O)CN CSC000168393 [0,1,0,0,0,1|1,0,0]=3 302 B12R1.371 ClCC(=O)Nc1cccnc1Cl CSC000182560 [0,1,0,0,0,1|2,0,0]=4 303 B12R1.371 NCC(=O)Nc1ccccc1Cl CSC000168390 [0,1,0,0,0,1|1,0,0]=3 304 B12R1.371 NCC(=O)Nc1ccccc1F CSC000168463 [0,1,0,0,0,1|1,0,0]=3 305 B12R1.371 NNC(=O)Cc1ccccc1Cl CSC000189918 [0,1,0,0,0,1|2,0,0]=4 306 B12R1.371 NNC(=O)Cc1ccccc1F CSC000190036 [0,1,0,0,0,1|2,0,0]=4 307 B12R1.9 CCS(=O)(=O)c1ccc(cc1)Br CSC000765143 [0,2,0,0,0,0|1,0,0]=3 308 B12R1.9 CCS(=O)(=O)c1ccc(cc1)C CSC000014200 [0,2,0,0,0,0|1,0,0]=3 309 B12R1.9 CCS(=O)(=O)c1ccc(cc1)Cl CSC000013680 [0,2,0,0,0,0|1,0,0]=3 310 B12R1.9 CNS(=O)(=O)c1ccc(cc1)C CSC000165107 [0,2,0,0,0,0|2,0,0]=4 311 B12R1.10 CCS(=O)(=O)c1cccc(c1)Br CSC009815775 [0,2,0,0,0,0|1,0,0]=3 312 B12R1.10 CNS(=O)(=O)c1cccc(c1)Br CSC000165148 [0,2,0,0,0,0|2,0,0]=4 313 B12R1.39 C=CCS(=O)(=O)c1ccccc1 CSC000014074 [0,2,0,0,0,0|1,0,1]=4 314 B12R1.39 CCCS(=O)(=O)c1ccccc1 CSC000031128 [0,2,0,0,0,0|1,0,0]=3 315 B12R1.39 CCNS(=O)(=O)c1ccccc1 CSC000165186 [0,2,0,0,0,0|1,0,0]=3 316 B12R1.39 CCNS(=O)(=O)c1cccnc1 CSC011280848 [0,2,0,0,0,0|2,0,0]=4 317 B12R1.39 O=S(=O)(CC#N)c1ccccc1 CSC000209857 [0,2,0,0,0,0|1,0,1]=4 318 B12R1.39 OCCS(=O)(=O)c1ccccc1 CSC011215558 [0,2,0,0,0,0|1,0,0]=3 319 B12R1.253 CC(C)S(=O)(=O)c1ccccc1 CSC000031126 [0,2,0,0,0,0|1,0,0]=3 320 B12R1.253 CN(C)S(=O)(=O)c1ccccc1 CSC000165037 [0,2,0,0,0,0|2,0,0]=4 321 B12R1.3 CCN(CC#C)c1ccccc1 CSC000224038 [0,2,0,0,0,0|2,0,0]=4 322 B12R1.3 CCN[C@H](CO)c1ccccc1 CSC012017371 [0,2,0,0,0,0|0,0,2]=4 323 B12R1.12 CCC(NC)c1ccc(cc1)Br CSC000231127 [0,2,0,0,0,0|1,0,1]=4 324 B12R1.12 CCC(NC)c1ccc(cc1)F CSC000737546 [0,2,0,0,0,0|1,0,1]=4 325 B12R1.243 CCN(CC)c1ccccc1C CSC000021038 [0,2,0,0,0,0|2,0,0]=4 326 B12R1.478 CCC(C(=O)N)c1ccccc1 CSC000192809 [0,2,0,0,0,0|0,0,1]=3 327 B12R1.478 CCN(C(=O)C)c1ccccc1 CSC000189716 [0,2,0,0,0,0|1,0,0]=3 328 B12R1.478 COC(C(=O)N)c1ccccc1 CSC011347434 [0,2,0,0,0,0|1,0,1]=4 329 B12R1.16 CCNC(=O)c1ccc(cc1)Br CSC000155174 [0,2,0,0,0,0|0,0,0]=2 330 B12R1.16 CCNC(=O)c1ccc(cc1)C CSC000160135 [0,2,0,0,0,0|0,0,0]=2 331 B12R1.16 CCNC(=O)c1ccc(cc1)Cl CSC000160097 [0,2,0,0,0,0|0,0,0]=2 332 B12R1.16 CCNC(=O)c1ccc(cc1)F CSC000160094 [0,2,0,0,0,0|0,0,0]=2 333 B12R1.16 CCNC(=O)c1ccc(cc1)I CSC000155177 [0,2,0,0,0,0|0,0,0]=2 334 B12R1.16 CCNC(=O)c1ccc(cc1)N CSC000741011 [0,2,0,0,0,0|0,0,0]=2 335 B12R1.16 CCNC(=O)c1ccc(cn1)Br CSC011781264 [0,2,0,0,0,0|1,0,0]=3 336 B12R1.16 CCNC(C)c1ccc(cc1)Br CSC000231352 [0,2,0,0,0,0|1,0,1]=4 337 B12R1.16 CCOC(=O)c1cc[n+](cc1)[O-] CSC000005895 [0,2,0,0,0,0|1,0,0]=3 338 B12R1.16 CCOC(=O)c1ccc(cc1)Br CSC000169895 [0,2,0,0,0,0|0,0,0]=2 339 B12R1.16 CCOC(=O)c1ccc(cc1)Cl CSC000169919 [0,2,0,0,0,0|0,0,0]=2 340 B12R1.16 CCOC(=O)c1ccc(cc1)F CSC000169906 [0,2,0,0,0,0|0,0,0]=2 341 B12R1.16 CCOC(=O)c1ccc(cc1)I CSC000170077 [0,2,0,0,0,0|0,0,0]=2 342 B12R1.16 CCOC(=O)c1ccc(cn1)Br CSC011781174 [0,2,0,0,0,0|1,0,0]=3 343 B12R1.16 CCOC(=O)c1ccc(cn1)F CSC012003450 [0,2,0,0,0,0|1,0,0]=3 344 B12R1.16 CCOC(=O)c1ccc(nc1)C CSC011213257 [0,2,0,0,0,0|1,0,0]=3 345 B12R1.16 CCOC(=O)c1ccc(nc1)F CSC012183745 [0,2,0,0,0,0|1,0,0]=3 346 B12R1.17 CCNC(=O)c1cc(ccn1)Cl CSC000194128 [0,2,0,0,0,0|1,0,0]=3 347 B12R1.17 CCNC(=O)c1cccc(c1)Br CSC000155180 [0,2,0,0,0,0|0,0,0]=2 348 B12R1.17 CCNC(=O)c1cccc(c1)C CSC000160206 [0,2,0,0,0,0|0,0,0]=2 349 B12R1.17 CCNC(=O)c1cccc(c1)Cl CSC000160110 [0,2,0,0,0,0|0,0,0]=2 350 B12R1.17 CCNC(=O)c1cccc(c1)F CSC000160200 [0,2,0,0,0,0|0,0,0]=2 351 B12R1.17 CCNC(=O)c1cccc(c1)I CSC000155182 [0,2,0,0,0,0|0,0,0]=2 352 B12R1.17 CCNC(=O)c1cccc(c1)N CSC000181407 [0,2,0,0,0,0|0,0,0]=2 353 B12R1.17 CCOC(=O)c1cccc(c1)Br CSC000170152 [0,2,0,0,0,0|0,0,0]=2 354 B12R1.17 CCOC(=O)c1cccc(c1)C CSC000170498 [0,2,0,0,0,0|0,0,0]=2 355 B12R1.17 CCOC(=O)c1cccc(c1)Cl CSC000170058 [0,2,0,0,0,0|0,0,0]=2 356 B12R1.17 CCOC(=O)c1cccc(c1)F CSC000170323 [0,2,0,0,0,0|0,0,0]=2 357 B12R1.17 CCOC(=O)c1cccc(c1)I CSC000170211 [0,2,0,0,0,0|0,0,0]=2 358 B12R1.17 CCOC(=O)c1cccc(c1)O CSC000169910 [0,2,0,0,0,0|0,0,0]=2 359 B12R1.17 CCOC(=O)c1ccnc(c1)C CSC011935281 [0,2,0,0,0,0|1,0,0]=3 360 B12R1.17 CCOC(=O)c1cncc(c1)Br CSC000170250 [0,2,0,0,0,0|1,0,0]=3 361 B12R1.17 CCOC(=O)c1cncc(c1)F CSC012017147 [0,2,0,0,0,0|1,0,0]=3 362 B12R1.17 CCOC(=O)c1cncc(c1)O CSC000185702 [0,2,0,0,0,0|1,0,0]=3 363 B12R1.30 C=CCNC(=O)c1ccccc1 CSC000160304 [0,2,0,0,0,0|0,0,1]=3 364 B12R1.30 C=CCNC(=O)c1cccnc1 CSC000160286 [0,2,0,0,0,0|1,0,1]=4 365 B12R1.30 C=CCOC(=O)c1ccccc1 CSC000006409 [0,2,0,0,0,0|0,0,1]=3 366 B12R1.30 CC(NCCO)c1ccccc1 CSC000224688 [0,2,0,0,0,0|1,0,1]=4 367 B12R1.30 CCCNC(=O)c1ccccc1 CSC000161722 [0,2,0,0,0,0|0,0,0]=2 368 B12R1.30 CCCNC(C)c1ccccc1 CSC000187307 [0,2,0,0,0,0|1,0,1]=4 369 B12R1.30 CCCOC(=O)c1ccccn1 CSC000169884 [0,2,0,0,0,0|1,0,0]=3 370 B12R1.30 CN(CCCN)c1ccccc1 CSC000211881 [0,2,0,0,0,0|2,0,0]=4 371 B12R1.30 C[C@@H](NCCO)c1ccccc1 CSC000753783 [0,2,0,0,0,0|1,0,1]=4 372 B12R1.30 NCCNC(=O)c1ccccn1 CSC011198448 [0,2,0,0,0,0|1,0,0]=3 373 B12R1.30 NCCNC(=O)c1ccncc1 CSC011198449 [0,2,0,0,0,0|1,0,0]=3 374 B12R1.30 O=C(NCC#C)c1ccccc1 CSC000175919 [0,2,0,0,0,0|0,0,1]=3 375 B12R1.30 O=C(OCC#C)c1ccccc1 CSC000006640 [0,2,0,0,0,0|0,0,1]=3 376 B12R1.30 OCCNC(=O)c1ccccn1 CSC000158865 [0,2,0,0,0,0|1,0,0]=3 377 B12R1.107 CC(C)NC(=O)c1ccccc1 CSC000157549 [0,2,0,0,0,0|0,0,0]=2 378 B12R1.107 CC(C)NC(=O)c1cccnc1 CSC000157531 [0,2,0,0,0,0|1,0,0]=3 379 B12R1.107 CC(C)OC(=O)c1ccccc1 CSC000170135 [0,2,0,0,0,0|0,0,0]=2 380 B12R1.107 CC(C)OC(=O)c1ccccn1 CSC000169883 [0,2,0,0,0,0|1,0,0]=3 381 B12R1.107 NC(=O)CS(=O)c1ccccc1 CSC000064346 [0,2,0,0,0,0|1,0,1]=4 382 B12R1.308 CCNC(=O)c1ccccc1Br CSC000155173 [0,2,0,0,0,0|0,0,0]=2 383 B12R1.308 CCNC(=O)c1ccccc1C CSC000160149 [0,2,0,0,0,0|0,0,0]=2 384 B12R1.308 CCNC(=O)c1ccccc1Cl CSC000160087 [0,2,0,0,0,0|0,0,0]=2 385 B12R1.308 CCNC(=O)c1ccccc1F CSC000160117 [0,2,0,0,0,0|0,0,0]=2 386 B12R1.308 CCNC(=O)c1ccccc1I CSC000155181 [0,2,0,0,0,0|0,0,0]=2 387 B12R1.308 CCNC(=O)c1ccccc1N CSC000205978 [0,2,0,0,0,0|0,0,0]=2 388 B12R1.308 CCNC(=O)c1ccccc1O CSC000192205 [0,2,0,0,0,0|0,0,0]=2 389 B12R1.308 CCOC(=O)c1ccccc1Br CSC000169876 [0,2,0,0,0,0|0,0,0]=2 390 B12R1.308 CCOC(=O)c1ccccc1C CSC000170245 [0,2,0,0,0,0|0,0,0]=2 391 B12R1.308 CCOC(=O)c1ccccc1Cl CSC000169879 [0,2,0,0,0,0|0,0,0]=2 392 B12R1.308 CCOC(=O)c1ccccc1F CSC000170099 [0,2,0,0,0,0|0,0,0]=2 393 B12R1.308 CCOC(=O)c1ccccc1I CSC000170190 [0,2,0,0,0,0|0,0,0]=2 394 B12R1.308 CCOC(=O)c1ccccc1O CSC000169922 [0,2,0,0,0,0|0,0,0]=2 395 B12R1.308 CCOC(=O)c1cccnc1C CSC000750000 [0,2,0,0,0,0|1,0,0]=3 396 B12R1.308 CCOC(=O)c1ccncc1Br CSC010238393 [0,2,0,0,0,0|1,0,0]=3 397 B12R1.308 CCOC(=O)c1cnccc1C CSC000728538 [0,2,0,0,0,0|1,0,0]=3 398 B12R1.308 CCOC(=O)c1cnccc1Cl CSC000708780 [0,2,0,0,0,0|1,0,0]=3 399 B12R1.308 CCOC(=O)c1ncccc1C CSC000725470 [0,2,0,0,0,0|1,0,0]=3 400 B12R1.308 CCOC(=O)c1ncccc1F CSC000106390 [0,2,0,0,0,0|1,0,0]=3 401 B12R1.308 CCOC(=O)c1nccnc1C CSC000094559 [0,2,0,0,0,0|2,0,0]=4 402 B12R1.308 CCOC(=O)c1nccnc1N CSC000246222 [0,2,0,0,0,0|2,0,0]=4 403 B12R1.5 CCC(=O)c1ccc(cc1)OC CSC000170455 [0,2,0,0,0,0|0,0,0]=2 404 B12R1.5 CCc1ccc(cc1)C(=O)OC CSC000149224 [0,2,0,0,0,0|1,0,0]=3 405 B12R1.5 CNC(=O)c1ccc(cc1)CO CSC000159720 [0,2,0,0,0,0|1,0,0]=3 406 B12R1.5 CNC(=O)c1ccc(cc1)OC CSC000159827 [0,2,0,0,0,0|1,0,0]=3 407 B12R1.5 CNc1ccc(cc1)C(=O)OC CSC000220287 [0,2,0,0,0,0|1,0,0]=3 408 B12R1.5 COC(=O)c1ccc(cc1)C#N CSC000148855 [0,2,0,0,0,0|1,0,0]=3 409 B12R1.5 COC(=O)c1ccc(cc1)C=C CSC000061247 [0,2,0,0,0,0|1,0,0]=3 410 B12R1.5 COC(=O)c1ccc(cc1)CO CSC000151488 [0,2,0,0,0,0|1,0,0]=3 411 B12R1.5 COC(=O)c1ccc(cc1)OC CSC000150779 [0,2,0,0,0,0|1,0,0]=3 412 B12R1.5 COC(=O)c1ccc(cc1)SC CSC000175311 [0,2,0,0,0,0|1,0,0]=3 413 B12R1.5 COC(=O)c1ccc(cn1)C#C CSC000062780 [0,2,0,0,0,0|2,0,0]=4 414 B12R1.5 COC(=O)c1ccc(nc1)OC CSC000181318 [0,2,0,0,0,0|2,0,0]=4 415 B12R1.5 CSc1ccc(cc1)C(=O)NN CSC000190082 [0,2,0,0,0,0|2,0,0]=4 416 B12R1.5 NNC(=O)c1ccc(cc1)C#N CSC000016251 [0,2,0,0,0,0|2,0,0]=4 417 B12R1.20 CN(C)C(=O)c1ccc(cc1)Br CSC000159574 [0,2,0,0,0,0|1,0,0]=3 418 B12R1.20 CN(C)C(=O)c1ccc(cc1)C CSC000159581 [0,2,0,0,0,0|1,0,0]=3 419 B12R1.20 CN(C)C(=O)c1ccc(cc1)Cl CSC000159537 [0,2,0,0,0,0|1,0,0]=3 420 B12R1.20 CN(C)C(=O)c1ccc(cc1)F CSC000159534 [0,2,0,0,0,0|1,0,0]=3 421 B12R1.20 CN(C)C(=O)c1ccc(cc1)I CSC000159556 [0,2,0,0,0,0|1,0,0]=3 422 B12R1.367 CNC(=O)c1ccc(c(c1)Br)F CSC012359898 [0,2,0,0,0,0|1,0,0]=3 423 B12R1.367 CNC(=O)c1ccc(c(c1)C)C CSC000159929 [0,2,0,0,0,0|1,0,0]=3 424 B12R1.367 CNC(=O)c1ccc(c(c1)C)N CSC000739472 [0,2,0,0,0,0|1,0,0]=3 425 B12R1.367 CNC(=O)c1ccc(c(c1)Cl)Cl CSC000159832 [0,2,0,0,0,0|1,0,0]=3 426 B12R1.367 CNC(=O)c1ccc(c(c1)F)F CSC000194207 [0,2,0,0,0,0|1,0,0]=3 427 B12R1.367 CNC(=O)c1ccc(c(c1)N)C CSC000737617 [0,2,0,0,0,0|1,0,0]=3 428 B12R1.367 COC(=O)c1ccc(=O)n(c1)C CSC000054066 [0,2,0,0,0,0|2,0,0]=4 429 B12R1.367 COC(=O)c1ccc(c(c1)Br)Cl CSC012356255 [0,2,0,0,0,0|1,0,0]=3 430 B12R1.367 COC(=O)c1ccc(c(c1)Br)F CSC000722584 [0,2,0,0,0,0|1,0,0]=3 431 B12R1.367 COC(=O)c1ccc(c(c1)Br)I CSC011294788 [0,2,0,0,0,0|1,0,0]=3 432 B12R1.367 COC(=O)c1ccc(c(c1)C)Br CSC011215878 [0,2,0,0,0,0|1,0,0]=3 433 B12R1.367 COC(=O)c1ccc(c(c1)C)C CSC000149473 [0,2,0,0,0,0|1,0,0]=3 434 B12R1.367 COC(=O)c1ccc(c(c1)C)Cl CSC011217186 [0,2,0,0,0,0|1,0,0]=3 435 B12R1.367 COC(=O)c1ccc(c(c1)C)F CSC000698631 [0,2,0,0,0,0|1,0,0]=3 436 B12R1.367 COC(=O)c1ccc(c(c1)C)O CSC011997373 [0,2,0,0,0,0|1,0,0]=3 437 B12R1.367 COC(=O)c1ccc(c(c1)Cl)Br CSC012359697 [0,2,0,0,0,0|1,0,0]=3 438 B12R1.367 COC(=O)c1ccc(c(c1)Cl)C CSC011219533 [0,2,0,0,0,0|1,0,0]=3 439 B12R1.367 COC(=O)c1ccc(c(c1)Cl)F CSC011997363 [0,2,0,0,0,0|1,0,0]=3 440 B12R1.367 COC(=O)c1ccc(c(c1)Cl)I CSC012356344 [0,2,0,0,0,0|1,0,0]=3 441 B12R1.367 COC(=O)c1ccc(c(c1)Cl)N CSC000704683 [0,2,0,0,0,0|1,0,0]=3 442 B12R1.367 COC(=O)c1ccc(c(c1)F)Br CSC000703229 [0,2,0,0,0,0|1,0,0]=3 443 B12R1.367 COC(=O)c1ccc(c(c1)F)C CSC000216653 [0,2,0,0,0,0|1,0,0]=3 444 B12R1.367 COC(=O)c1ccc(c(c1)F)Cl CSC011216032 [0,2,0,0,0,0|1,0,0]=3 445 B12R1.367 COC(=O)c1ccc(c(c1)F)F CSC000194019 [0,2,0,0,0,0|1,0,0]=3 446 B12R1.367 COC(=O)c1ccc(c(c1)F)I CSC000062896 [0,2,0,0,0,0|1,0,0]=3 447 B12R1.367 COC(=O)c1ccc(c(c1)I)C CSC011218856 [0,2,0,0,0,0|1,0,0]=3 448 B12R1.367 COC(=O)c1ccc(c(c1)I)Cl CSC011294800 [0,2,0,0,0,0|1,0,0]=3 449 B12R1.367 COC(=O)c1ccc(c(c1)I)F CSC012361652 [0,2,0,0,0,0|1,0,0]=3 450 B12R1.367 COC(=O)c1ccc(c(c1)N)Br CSC011450966 [0,2,0,0,0,0|1,0,0]=3 451 B12R1.367 COC(=O)c1ccc(c(c1)N)I CSC011290891 [0,2,0,0,0,0|1,0,0]=3 452 B12R1.367 COC(=O)c1ccc(c(c1)O)Br CSC011934688 [0,2,0,0,0,0|1,0,0]=3 453 B12R1.367 COC(=O)c1ccc(c(c1)O)C CSC000736511 [0,2,0,0,0,0|1,0,0]=3 454 B12R1.367 COC(=O)c1ccn(c(=O)c1)C CSC011315524 [0,2,0,0,0,0|2,0,0]=4 455 B12R1.367 Cc1ccc(cc1Br)C(=O)NN CSC000188075 [0,2,0,0,0,0|2,0,0]=4 456 B12R1.367 Cc1ccc(cc1C)C(=O)NN CSC000189846 [0,2,0,0,0,0|2,0,0]=4 457 B12R1.367 Cc1ccc(cc1Cl)C(=O)NN CSC011823865 [0,2,0,0,0,0|2,0,0]=4 458 B12R1.367 NNC(=O)c1ccc(c(c1)Br)Cl CSC011219835 [0,2,0,0,0,0|2,0,0]=4 459 B12R1.367 NNC(=O)c1ccc(c(c1)Cl)Br CSC011217245 [0,2,0,0,0,0|2,0,0]=4 460 B12R1.367 NNC(=O)c1ccc(c(c1)Cl)Cl CSC000187931 [0,2,0,0,0,0|2,0,0]=4 461 B12R1.367 NNC(=O)c1ccc(c(c1)F)F CSC000194116 [0,2,0,0,0,0|2,0,0]=4 462 B12R1.1703 CNC(=O)c1ccc(cc1C)C CSC000159917 [0,2,0,0,0,0|1,0,0]=3 463 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Br CSC011372354 [0,2,0,0,0,0|1,0,0]=3 464 B12R1.1703 CNC(=O)c1ccc(cc1Cl)C CSC000188180 [0,2,0,0,0,0|1,0,0]=3 465 B12R1.1703 CNC(=O)c1ccc(cc1Cl)Cl CSC000159828 [0,2,0,0,0,0|1,0,0]=3 466 B12R1.1703 CNC(=O)c1ccc(cc1Cl)N CSC000742945 [0,2,0,0,0,0|1,0,0]=3 467 B12R1.1703 CNC(=O)c1ccc(cc1F)Br CSC000233932 [0,2,0,0,0,0|1,0,0]=3 468 B12R1.1703 CNC(=O)c1ccc(cc1F)Cl CSC011190852 [0,2,0,0,0,0|1,0,0]=3 469 B12R1.1703 CNC(=O)c1ccc(cc1F)F CSC000159900 [0,2,0,0,0,0|1,0,0]=3 470 B12R1.1703 COC(=O)c1ccc(cc1Br)Br CSC012357387 [0,2,0,0,0,0|1,0,0]=3 471 B12R1.1703 COC(=O)c1ccc(cc1Br)C CSC012340597 [0,2,0,0,0,0|1,0,0]=3 472 B12R1.1703 COC(=O)c1ccc(cc1Br)Cl CSC012359205 [0,2,0,0,0,0|1,0,0]=3 473 B12R1.1703 COC(=O)c1ccc(cc1Br)F CSC000204356 [0,2,0,0,0,0|1,0,0]=3 474 B12R1.1703 COC(=O)c1ccc(cc1C)C CSC000149307 [0,2,0,0,0,0|1,0,0]=3 475 B12R1.1703 COC(=O)c1ccc(cc1C)Cl CSC012000500 [0,2,0,0,0,0|1,0,0]=3 476 B12R1.1703 COC(=O)c1ccc(cc1C)F CSC011997371 [0,2,0,0,0,0|1,0,0]=3 477 B12R1.1703 COC(=O)c1ccc(cc1Cl)C CSC012179639 [0,2,0,0,0,0|1,0,0]=3 478 B12R1.1703 COC(=O)c1ccc(cc1Cl)Cl CSC000150782 [0,2,0,0,0,0|1,0,0]=3 479 B12R1.1703 COC(=O)c1ccc(cc1Cl)F CSC000149744 [0,2,0,0,0,0|1,0,0]=3 480 B12R1.1703 COC(=O)c1ccc(cc1Cl)I CSC000060724 [0,2,0,0,0,0|1,0,0]=3 481 B12R1.1703 COC(=O)c1ccc(cc1F)C CSC000697821 [0,2,0,0,0,0|1,0,0]=3 482 B12R1.1703 COC(=O)c1ccc(cc1F)Cl CSC000216677 [0,2,0,0,0,0|1,0,0]=3 483 B12R1.1703 COC(=O)c1ccc(cc1F)F CSC000149155 [0,2,0,0,0,0|1,0,0]=3 484 B12R1.1703 COC(=O)c1ccc(cc1F)I CSC010244672 [0,2,0,0,0,0|1,0,0]=3 485 B12R1.1703 COC(=O)c1ccc(cc1F)N CSC000688129 [0,2,0,0,0,0|1,0,0]=3 486 B12R1.1703 COC(=O)c1ccc(cc1F)O CSC011999631 [0,2,0,0,0,0|1,0,0]=3 487 B12R1.1703 COC(=O)c1ccc(cc1N)Cl CSC000170103 [0,2,0,0,0,0|1,0,0]=3 488 B12R1.1703 COC(=O)c1ccc(cc1N)F CSC000740600 [0,2,0,0,0,0|1,0,0]=3 489 B12R1.1703 COC(=O)c1ccc(cc1N)I CSC010172136 [0,2,0,0,0,0|1,0,0]=3 490 B12R1.1703 COC(=O)c1ccc(cc1O)F CSC011216117 [0,2,0,0,0,0|1,0,0]=3 491 B12R1.1703 COC(=O)c1ncc(cc1F)F CSC000106392 [0,2,0,0,0,0|2,0,0]=4 492 B12R1.1703 Cc1cc(ccc1C(=O)NN)Cl CSC011996896 [0,2,0,0,0,0|2,0,0]=4 493 B12R1.1703 Cc1ccc(c(c1)C)C(=O)NN CSC000189823 [0,2,0,0,0,0|2,0,0]=4 494 B12R1.1703 Cc1ccc(c(c1)Cl)C(=O)NN CSC000187075 [0,2,0,0,0,0|2,0,0]=4 495 B12R1.1703 Cc1ccc(c(c1)O)C(=O)NN CSC000193368 [0,2,0,0,0,0|2,0,0]=4 496 B12R1.1703 NNC(=O)c1ccc(cc1Br)F CSC000203923 [0,2,0,0,0,0|2,0,0]=4 497 B12R1.1703 NNC(=O)c1ccc(cc1Cl)Br CSC000751675 [0,2,0,0,0,0|2,0,0]=4 498 B12R1.1703 NNC(=O)c1ccc(cc1F)Br CSC009812619 [0,2,0,0,0,0|2,0,0]=4 499 B12R1.1703 NNC(=O)c1ccc(cc1F)F CSC000189803 [0,2,0,0,0,0|2,0,0]=4 500 B12R1.24 COC(=O)c1cccc(=O)n1C CSC000730068 [0,2,0,0,0,0|2,0,0]=4 501 B12R1.24 COC(=O)c1cccc(c1Br)C CSC012339457 [0,2,0,0,0,0|1,0,0]=3 502 B12R1.24 COC(=O)c1cccc(c1Br)F CSC012357630 [0,2,0,0,0,0|1,0,0]=3 503 B12R1.24 COC(=O)c1cccc(c1C)Br CSC012298220 [0,2,0,0,0,0|1,0,0]=3 504 B12R1.24 COC(=O)c1cccc(c1C)C CSC000149159 [0,2,0,0,0,0|1,0,0]=3 505 B12R1.24 COC(=O)c1cccc(c1C)I CSC010168159 [0,2,0,0,0,0|1,0,0]=3 506 B12R1.24 COC(=O)c1cccc(c1C)O CSC011999632 [0,2,0,0,0,0|1,0,0]=3 507 B12R1.24 COC(=O)c1cccc(c1Cl)Br CSC012349815 [0,2,0,0,0,0|1,0,0]=3 508 B12R1.24 COC(=O)c1cccc(c1Cl)C CSC012002529 [0,2,0,0,0,0|1,0,0]=3 509 B12R1.24 COC(=O)c1cccc(c1Cl)Cl CSC000148926 [0,2,0,0,0,0|1,0,0]=3 510 B12R1.24 COC(=O)c1cccc(c1F)Br CSC012355674 [0,2,0,0,0,0|1,0,0]=3 511 B12R1.24 COC(=O)c1cccc(c1F)C CSC012001762 [0,2,0,0,0,0|1,0,0]=3 512 B12R1.24 COC(=O)c1cccc(c1F)Cl CSC011997369 [0,2,0,0,0,0|1,0,0]=3 513 B12R1.24 COC(=O)c1cccc(c1F)F CSC011220063 [0,2,0,0,0,0|1,0,0]=3 514 B12R1.24 COC(=O)c1cccc(c1I)C CSC011294812 [0,2,0,0,0,0|1,0,0]=3 515 B12R1.24 COC(=O)c1cccc(c1I)F CSC010151095 [0,2,0,0,0,0|1,0,0]=3 516 B12R1.24 COC(=O)c1cccc(c1N)Br CSC011356556 [0,2,0,0,0,0|1,0,0]=3 517 B12R1.24 COC(=O)c1cccc(c1N)Cl CSC011356568 [0,2,0,0,0,0|1,0,0]=3 518 B12R1.24 COC(=O)c1cccc(c1N)F CSC000707970 [0,2,0,0,0,0|1,0,0]=3 519 B12R1.24 COC(=O)c1cccc(c1N)I CSC000055437 [0,2,0,0,0,0|1,0,0]=3 520 B12R1.24 COC(=O)c1cccc(c1O)Br CSC009816214 [0,2,0,0,0,0|1,0,0]=3 521 B12R1.24 COC(=O)c1cccc(c1O)C CSC000149854 [0,2,0,0,0,0|1,0,0]=3 522 B12R1.24 COC(=O)c1ccnc(c1F)F CSC012662669 [0,2,0,0,0,0|2,0,0]=4 523 B12R1.24 Cc1cccc(c1C)C(=O)NN CSC000189804 [0,2,0,0,0,0|2,0,0]=4 524 B12R1.24 Cc1cccc(c1O)C(=O)NN CSC000193353 [0,2,0,0,0,0|2,0,0]=4 525 B12R1.24 NNC(=O)c1cccc(c1Cl)Cl CSC000189813 [0,2,0,0,0,0|2,0,0]=4 526 B12R1.225 CN(C)C(=O)c1cccc(c1)Br CSC000159571 [0,2,0,0,0,0|1,0,0]=3 527 B12R1.225 CN(C)C(=O)c1cccc(c1)Cl CSC000159551 [0,2,0,0,0,0|1,0,0]=3 528 B12R1.225 CN(C)C(=O)c1cccc(c1)F CSC000159658 [0,2,0,0,0,0|1,0,0]=3 529 B12R1.225 CN(C)C(=O)c1cccc(c1)I CSC000159588 [0,2,0,0,0,0|1,0,0]=3 530 B12R1.225 CN(C)C(=O)c1cccc(c1)O CSC000159535 [0,2,0,0,0,0|1,0,0]=3 531 B12R1.225 CN(C)C(=O)c1cncc(c1)Br CSC000159598 [0,2,0,0,0,0|2,0,0]=4 532 B12R1.354 CNC(=O)c1cc(ccc1C)C CSC000159876 [0,2,0,0,0,0|1,0,0]=3 533 B12R1.354 CNC(=O)c1cc(ccc1Cl)Br CSC000155089 [0,2,0,0,0,0|1,0,0]=3 534 B12R1.354 CNC(=O)c1cc(ccc1F)F CSC000194209 [0,2,0,0,0,0|1,0,0]=3 535 B12R1.354 CNC(=O)c1cc(ccc1I)Cl CSC011279454 [0,2,0,0,0,0|1,0,0]=3 536 B12R1.354 COC(=O)c1cc(ccc1Br)Br CSC011218029 [0,2,0,0,0,0|1,0,0]=3 537 B12R1.354 COC(=O)c1cc(ccc1Br)C CSC012339458 [0,2,0,0,0,0|1,0,0]=3 538 B12R1.354 COC(=O)c1cc(ccc1Br)Cl CSC011228367 [0,2,0,0,0,0|1,0,0]=3 539 B12R1.354 COC(=O)c1cc(ccc1Br)F CSC000205820 [0,2,0,0,0,0|1,0,0]=3 540 B12R1.354 COC(=O)c1cc(ccc1Br)I CSC012340073 [0,2,0,0,0,0|1,0,0]=3 541 B12R1.354 COC(=O)c1cc(ccc1C)Br CSC000703529 [0,2,0,0,0,0|1,0,0]=3 542 B12R1.354 COC(=O)c1cc(ccc1C)C CSC000148939 [0,2,0,0,0,0|1,0,0]=3 543 B12R1.354 COC(=O)c1cc(ccc1C)Cl CSC012000380 [0,2,0,0,0,0|1,0,0]=3 544 B12R1.354 COC(=O)c1cc(ccc1C)I CSC012360116 [0,2,0,0,0,0|1,0,0]=3 545 B12R1.354 COC(=O)c1cc(ccc1Cl)Br CSC000149116 [0,2,0,0,0,0|1,0,0]=3 546 B12R1.354 COC(=O)c1cc(ccc1Cl)Cl CSC000148927 [0,2,0,0,0,0|1,0,0]=3 547 B12R1.354 COC(=O)c1cc(ccc1Cl)F CSC011997379 [0,2,0,0,0,0|1,0,0]=3 548 B12R1.354 COC(=O)c1cc(ccc1Cl)I CSC012353682 [0,2,0,0,0,0|1,0,0]=3 549 B12R1.354 COC(=O)c1cc(ccc1Cl)O CSC012001761 [0,2,0,0,0,0|1,0,0]=3 550 B12R1.354 COC(=O)c1cc(ccc1F)C CSC000703722 [0,2,0,0,0,0|1,0,0]=3 551 B12R1.354 COC(=O)c1cc(ccc1F)F CSC000194029 [0,2,0,0,0,0|1,0,0]=3 552 B12R1.354 COC(=O)c1cc(ccc1F)I CSC012350775 [0,2,0,0,0,0|1,0,0]=3 553 B12R1.354 COC(=O)c1cc(ccc1I)Br CSC000148213 [0,2,0,0,0,0|1,0,0]=3 554 B12R1.354 COC(=O)c1cc(ccc1I)F CSC000058944 [0,2,0,0,0,0|1,0,0]=3 555 B12R1.354 COC(=O)c1cc(ccc1N)C CSC000216452 [0,2,0,0,0,0|1,0,0]=3 556 B12R1.354 COC(=O)c1cc(ccc1N)Cl CSC000172362 [0,2,0,0,0,0|1,0,0]=3 557 B12R1.354 COC(=O)c1cc(ccc1N)F CSC000173281 [0,2,0,0,0,0|1,0,0]=3 558 B12R1.354 COC(=O)c1cc(ccc1O)C CSC000216618 [0,2,0,0,0,0|1,0,0]=3 559 B12R1.354 COC(=O)c1cc(ccc1O)F CSC011219540 [0,2,0,0,0,0|1,0,0]=3 560 B12R1.354 COC(=O)c1cc(ccc1O)I CSC000149868 [0,2,0,0,0,0|1,0,0]=3 561 B12R1.354 COC(=O)c1cc(ccc1O)O CSC011203519 [0,2,0,0,0,0|1,0,0]=3 562 B12R1.354 COC(=O)c1cc(cnc1F)Br CSC010243567 [0,2,0,0,0,0|2,0,0]=4 563 B12R1.354 Cc1ccc(c(c1)C(=O)NN)C CSC000189821 [0,2,0,0,0,0|2,0,0]=4 564 B12R1.354 Cc1ccc(c(c1)C(=O)NN)O CSC000193374 [0,2,0,0,0,0|2,0,0]=4 565 B12R1.354 NNC(=O)c1cc(ccc1Br)F CSC000205862 [0,2,0,0,0,0|2,0,0]=4 566 B12R1.354 NNC(=O)c1cc(ccc1Cl)Br CSC000189792 [0,2,0,0,0,0|2,0,0]=4 567 B12R1.354 NNC(=O)c1cc(ccc1F)F CSC000194117 [0,2,0,0,0,0|2,0,0]=4 568 B12R1.354 NNC(=O)c1cc(ccc1O)Br CSC000193350 [0,2,0,0,0,0|2,0,0]=4 569 B12R1.358 CNC(=O)c1cc(cc(c1)Cl)Cl CSC000159869 [0,2,0,0,0,0|1,0,0]=3 570 B12R1.358 CNC(=O)c1cc(cc(c1)F)F CSC000159711 [0,2,0,0,0,0|1,0,0]=3 571 B12R1.358 COC(=O)c1cc(cc(c1)Br)Br CSC011216377 [0,2,0,0,0,0|1,0,0]=3 572 B12R1.358 COC(=O)c1cc(cc(c1)Br)C CSC012359405 [0,2,0,0,0,0|1,0,0]=3 573 B12R1.358 COC(=O)c1cc(cc(c1)Br)Cl CSC012353713 [0,2,0,0,0,0|1,0,0]=3 574 B12R1.358 COC(=O)c1cc(cc(c1)Br)N CSC011794265 [0,2,0,0,0,0|1,0,0]=3 575 B12R1.358 COC(=O)c1cc(cc(c1)Br)O CSC000696291 [0,2,0,0,0,0|1,0,0]=3 576 B12R1.358 COC(=O)c1cc(cc(c1)Cl)F CSC011997378 [0,2,0,0,0,0|1,0,0]=3 577 B12R1.358 COC(=O)c1cc(cc(c1)F)F CSC000151266 [0,2,0,0,0,0|1,0,0]=3 578 B12R1.358 COC(=O)c1cc(cc(c1)I)N CSC000693439 [0,2,0,0,0,0|1,0,0]=3 579 B12R1.358 COC(=O)c1cc(cc(c1)O)O CSC000211728 [0,2,0,0,0,0|1,0,0]=3 580 B12R1.358 COC(=O)c1cc(nc(c1)O)C CSC015345939 [0,2,0,0,0,0|2,0,0]=4 581 B12R1.358 Cc1cc(cc(c1)C(=O)NN)C CSC000189822 [0,2,0,0,0,0|2,0,0]=4 582 B12R1.358 NNC(=O)c1cc(cc(c1)Cl)Cl CSC000189815 [0,2,0,0,0,0|2,0,0]=4 583 B12R1.358 NNC(=O)c1cc(cc(c1)F)F CSC000189945 [0,2,0,0,0,0|2,0,0]=4 584 B12R1.435 CCc1cccc(n1)C(=O)OC CSC009857250 [0,2,0,0,0,0|2,0,0]=4 585 B12R1.435 CNC(=O)c1cccc(c1)OC CSC000159855 [0,2,0,0,0,0|1,0,0]=3 586 B12R1.435 COC(=O)c1cc(ccn1)OC CSC000066548 [0,2,0,0,0,0|2,0,0]=4 587 B12R1.435 COC(=O)c1cccc(c1)C#N CSC000151112 [0,2,0,0,0,0|1,0,0]=3 588 B12R1.435 COC(=O)c1cccc(c1)OC CSC000148714 [0,2,0,0,0,0|1,0,0]=3 589 B12R1.435 COC(=O)c1cccc(c1)SC CSC009884918 [0,2,0,0,0,0|1,0,0]=3 590 B12R1.435 COC(=O)c1cccc(n1)C#N CSC000085285 [0,2,0,0,0,0|2,0,0]=4 591 B12R1.124 CN(C)C(=O)c1ccccc1C CSC000159597 [0,2,0,0,0,0|1,0,0]=3 592 B12R1.124 CN(C)C(=O)c1ccccc1Cl CSC000159527 [0,2,0,0,0,0|1,0,0]=3 593 B12R1.124 CN(C)C(=O)c1ccccc1F CSC000159560 [0,2,0,0,0,0|1,0,0]=3 594 B12R1.124 CN(C)C(=O)c1ccccc1I CSC000159584 [0,2,0,0,0,0|1,0,0]=3 595 B12R1.77 CNC(=O)c1ccccc1OC CSC000159813 [0,2,0,0,0,0|1,0,0]=3 596 B12R1.77 CNC(=O)c1ccccc1SC CSC000159722 [0,2,0,0,0,0|1,0,0]=3 597 B12R1.77 CNc1ccccc1C(=O)NN CSC000019922 [0,2,0,0,0,0|2,0,0]=4 598 B12R1.77 COC(=O)c1ccccc1OC CSC000150339 [0,2,0,0,0,0|1,0,0]=3 599 B12R1.77 COC(=O)c1ccccc1SC CSC000151494 [0,2,0,0,0,0|1,0,0]=3 600 B12R1.77 COC(=O)c1cccnc1OC CSC011203184 [0,2,0,0,0,0|2,0,0]=4 601 B12R1.77 COC(=O)c1cccnc1SC CSC000149765 [0,2,0,0,0,0|2,0,0]=4 602 B12R1.77 COC(=O)c1ncccc1OC CSC011997691 [0,2,0,0,0,0|2,0,0]=4 603 B12R1.77 COc1ccccc1C(=O)NN CSC000189102 [0,2,0,0,0,0|2,0,0]=4 604 B12R1.3441 CNC(=O)c1c(cccc1Cl)Cl CSC011195916 [0,2,0,0,0,0|1,0,0]=3 605 B12R1.3441 CNC(=O)c1c(cccc1F)F CSC011195917 [0,2,0,0,0,0|1,0,0]=3 606 B12R1.3441 COC(=O)c1c(cccc1Br)C CSC010204206 [0,2,0,0,0,0|1,0,0]=3 607 B12R1.3441 COC(=O)c1c(cccc1Br)Cl CSC012340579 [0,2,0,0,0,0|1,0,0]=3 608 B12R1.3441 COC(=O)c1c(cccc1Br)N CSC010253892 [0,2,0,0,0,0|1,0,0]=3 609 B12R1.3441 COC(=O)c1c(cccc1C)C CSC011997366 [0,2,0,0,0,0|1,0,0]=3 610 B12R1.3441 COC(=O)c1c(cccc1Cl)Cl CSC000148928 [0,2,0,0,0,0|1,0,0]=3 611 B12R1.3441 COC(=O)c1c(cccc1F)F CSC000148932 [0,2,0,0,0,0|1,0,0]=3 612 B12R1.3441 COC(=O)c1c(cccc1F)O CSC011216559 [0,2,0,0,0,0|1,0,0]=3 613 B12R1.3441 COC(=O)c1c(cccc1I)C CSC010187551 [0,2,0,0,0,0|1,0,0]=3 614 B12R1.3441 COC(=O)c1c(cccc1I)F CSC010254406 [0,2,0,0,0,0|1,0,0]=3 615 B12R1.3441 NNC(=O)c1c(cccc1Cl)Cl CSC000189814 [0,2,0,0,0,0|2,0,0]=4 616 B12R1.3441 NNC(=O)c1c(cccc1Cl)F CSC000189775 [0,2,0,0,0,0|2,0,0]=4 617 B12R1.3441 NNC(=O)c1c(cccc1F)F CSC000189817 [0,2,0,0,0,0|2,0,0]=4 618 B12R2.18 Cn1c2ccccc2oc1=O CSC000171226 [0,0,0,1,0,1|1,0,0]=3 619 B12R2.32 CCN1Cc2ccccc2C1 CSC016200629 [0,0,0,1,0,1|2,0,0]=4 620 B12R2.32 CSc1nc2ccccc2[nH]1 CSC000169833 [0,0,0,1,0,1|2,0,0]=4 621 B12R2.32 CSc1nc2ccccc2o1 CSC000000691 [0,0,0,1,0,1|1,0,1]=4 622 B12R2.32 CSc1nc2ccccc2s1 CSC000000696 [0,0,0,1,0,1|1,1,0]=4 623 B12R2.2058 C1CC(C1)Sc2ccccc2 CSC000092208 [0,0,0,1,0,1|1,0,1]=4 624 B8R1.8 CCSc1cccs1 CSC009829625 [1,0,0,0,1,0|2,0,0]=4 625 B12R1.27 CCC(=O)NCc1ccccc1 CSC000153145 [0,0,0,0,0,2|0,0,0]=2 626 B12R1.27 CCC(=O)NCc1ccccn1 CSC000154896 [0,0,0,0,0,2|1,0,0]=3 627 B12R1.27 CCC(=O)NCc1cccnc1 CSC000154920 [0,0,0,0,0,2|1,0,0]=3 628 B12R1.27 CCC(=O)NCc1ccncc1 CSC000154908 [0,0,0,0,0,2|1,0,0]=3 629 B12R1.27 CCC(=O)NNc1ccccc1 CSC000001587 [0,0,0,0,0,2|0,0,0]=2 630 B12R1.27 CCC(=O)OCc1ccccc1 CSC000000848 [0,0,0,0,0,2|0,0,0]=2 631 B12R1.27 CCC(C)SCc1ccccc1 CSC000000404 [0,0,0,0,0,2|1,0,1]=4 632 B12R1.27 CNC(=O)CCc1ccccc1 CSC000159837 [0,0,0,0,0,2|1,0,0]=3 633 B12R1.27 CNC(=O)COc1ccccc1 CSC000150564 [0,0,0,0,0,2|1,0,0]=3 634 B12R1.27 CNC(=O)CSc1ccccc1 CSC000150703 [0,0,0,0,0,2|1,0,0]=3 635 B12R1.27 CNC(=O)NCc1ccccc1 CSC000222791 [0,0,0,0,0,2|1,0,0]=3 636 B12R1.27 CNC(=O)NCc1ccccn1 CSC000233842 [0,0,0,0,0,2|2,0,0]=4 637 B12R1.27 CNC(=O)NCc1cccnc1 CSC000233843 [0,0,0,0,0,2|2,0,0]=4 638 B12R1.27 CNC(=O)NCc1ccncc1 CSC000235220 [0,0,0,0,0,2|2,0,0]=4 639 B12R1.27 COC(=O)C#Cc1ccccc1 CSC011216089 [0,0,0,0,0,2|1,0,0]=3 640 B12R1.27 COC(=O)COc1ccccc1 CSC000148705 [0,0,0,0,0,2|1,0,0]=3 641 B12R1.27 COC(=O)CSc1ccccc1 CSC000151200 [0,0,0,0,0,2|1,0,0]=3 642 B12R1.27 COC(=O)CSc1ccccn1 CSC000156013 [0,0,0,0,0,2|2,0,0]=4 643 B12R1.27 COC(=O)NCc1ccccc1 CSC000235978 [0,0,0,0,0,2|1,0,0]=3 644 B12R1.27 NNC(=O)CCc1ccccc1 CSC000189782 [0,0,0,0,0,2|2,0,0]=4 645 B12R1.27 NNC(=O)COc1ccccc1 CSC000186219 [0,0,0,0,0,2|2,0,0]=4 646 B12R1.27 NNC(=O)CSc1ccccc1 CSC000189974 [0,0,0,0,0,2|2,0,0]=4 647 B12R1.27 OCC(=O)NCc1ccccc1 CSC000246335 [0,0,0,0,0,2|1,0,0]=3