0 B10R1.17 C#CCSc1ccccc1 CSC000172648 [0,0,0,0,0,0|1,0,2]=3 1 B10R1.17 C=CCSc1ccccc1 CSC000006400 [0,0,0,0,0,0|1,0,0]=1 2 B10R1.17 CCCSc1ccccc1 CSC000005822 [0,0,0,0,0,0|1,0,2]=3 3 B10R1.17 CCCSc1ccccn1 CSC000006455 [0,0,0,0,0,0|2,0,2]=4 4 B10R1.17 CCSCc1ccccc1 CSC000006444 [0,0,0,0,0,0|2,0,2]=4 5 B10R1.17 COCSc1ccccc1 CSC000000817 [0,0,0,0,0,0|2,0,1]=3 6 B10R1.17 CSCCc1ccncc1 CSC015420737 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.17 OCCSc1ccccc1 CSC000230494 [0,0,0,0,0,0|2,0,1]=3 8 B10R1.17 OCCSc1ccccn1 CSC000156319 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.17 OCCSc1ccncc1 CSC011297907 [0,0,0,0,0,0|3,0,1]=4 10 B11R1.1 Brc1ccc(cc1)OCC#N CSC000169425 [0,1,0,0,0,0|2,0,1]=4 11 B11R1.1 Brc1ccc(cc1)OCC=C CSC000172055 [0,1,0,0,0,0|1,0,0]=2 12 B11R1.1 Brc1ccc(cc1)SCC=C CSC009811901 [0,1,0,0,0,0|1,0,0]=2 13 B11R1.1 CCCOc1ccc(cc1)Br CSC000169948 [0,1,0,0,0,0|1,0,2]=4 14 B11R1.1 CCCOc1ccc(cc1)C CSC000169969 [0,1,0,0,0,0|1,0,2]=4 15 B11R1.1 CCCSc1ccc(cc1)Br CSC009811899 [0,1,0,0,0,0|1,0,2]=4 16 B11R1.1 CCCSc1ccc(cc1)C CSC000006743 [0,1,0,0,0,0|1,0,2]=4 17 B11R1.1 CCCSc1ccc(cc1)Cl CSC000005799 [0,1,0,0,0,0|1,0,2]=4 18 B11R1.1 CCCSc1ccc(cc1)F CSC015531415 [0,1,0,0,0,0|1,0,2]=4 19 B11R1.1 Cc1ccc(cc1)NCC#C CSC000219994 [0,1,0,0,0,0|0,0,2]=3 20 B11R1.1 Cc1ccc(cc1)NCCO CSC011233175 [0,1,0,0,0,0|1,0,1]=3 21 B11R1.1 Cc1ccc(cc1)OCC=C CSC000172063 [0,1,0,0,0,0|1,0,0]=2 22 B11R1.1 Cc1ccc(cc1)OCCO CSC011219107 [0,1,0,0,0,0|2,0,1]=4 23 B11R1.1 Cc1ccc(cc1)SCC#N CSC000173268 [0,1,0,0,0,0|2,0,1]=4 24 B11R1.1 Cc1ccc(cc1)SCC=C CSC000006760 [0,1,0,0,0,0|1,0,0]=2 25 B11R1.1 Cc1ccc(cc1)SCCO CSC000230582 [0,1,0,0,0,0|2,0,1]=4 26 B11R1.1 Clc1ccc(cc1)NCC#C CSC000220173 [0,1,0,0,0,0|0,0,2]=3 27 B11R1.1 Clc1ccc(cc1)SCC=C CSC000006393 [0,1,0,0,0,0|1,0,0]=2 28 B11R1.1 Fc1ccc(cc1)SCC=C CSC000006478 [0,1,0,0,0,0|1,0,0]=2 29 B11R1.1 NCCNc1ccc(cn1)Br CSC011214600 [0,1,0,0,0,0|2,0,1]=4 30 B11R1.1 OCCNc1ccc(cc1)Cl CSC011233097 [0,1,0,0,0,0|1,0,1]=3 31 B11R1.1 OCCNc1ccc(cc1)F CSC011233115 [0,1,0,0,0,0|1,0,1]=3 32 B11R1.1 OCCOc1ccc(cc1)Br CSC000686261 [0,1,0,0,0,0|2,0,1]=4 33 B11R1.1 OCCOc1ccc(cc1)Cl CSC000237962 [0,1,0,0,0,0|2,0,1]=4 34 B11R1.1 OCCOc1ccc(cc1)F CSC011305846 [0,1,0,0,0,0|2,0,1]=4 35 B11R1.1 OCCOc1ccc(cc1)I CSC000230681 [0,1,0,0,0,0|2,0,1]=4 36 B11R1.1 OCCSc1ccc(cc1)Cl CSC000230527 [0,1,0,0,0,0|2,0,1]=4 37 B11R1.1 OCCSc1ccc(cc1)F CSC000230679 [0,1,0,0,0,0|2,0,1]=4 38 B11R1.16 CN(CC=C)c1ccccc1 CSC000018674 [0,1,0,0,0,0|0,0,0]=1 39 B11R1.16 CN(CCN)c1ccccc1 CSC000231046 [0,1,0,0,0,0|1,0,1]=3 40 B11R1.16 CSCC(=O)c1ccccc1 CSC000748581 [0,1,0,0,0,0|2,0,1]=4 41 B11R1.17 Brc1ccccc1OCC=C CSC000173964 [0,1,0,0,0,0|1,0,0]=2 42 B11R1.17 CCCOc1ccccc1Br CSC000174042 [0,1,0,0,0,0|1,0,2]=4 43 B11R1.17 CCCOc1ccccc1C CSC000169983 [0,1,0,0,0,0|1,0,2]=4 44 B11R1.17 CCCOc1ccccc1F CSC000173322 [0,1,0,0,0,0|1,0,2]=4 45 B11R1.17 CCCSc1ccccc1Br CSC000230854 [0,1,0,0,0,0|1,0,2]=4 46 B11R1.17 CCCSc1ccccc1Cl CSC000006739 [0,1,0,0,0,0|1,0,2]=4 47 B11R1.17 Cc1ccccc1NCC=C CSC011613358 [0,1,0,0,0,0|0,0,0]=1 48 B11R1.17 Cc1ccccc1NCCO CSC011233185 [0,1,0,0,0,0|1,0,1]=3 49 B11R1.17 Cc1ccccc1OCC=C CSC000172067 [0,1,0,0,0,0|1,0,0]=2 50 B11R1.17 Cc1ccccc1OCCO CSC011305843 [0,1,0,0,0,0|2,0,1]=4 51 B11R1.17 Cc1cnccc1NCCN CSC011934644 [0,1,0,0,0,0|2,0,1]=4 52 B11R1.17 Clc1ccccc1OCC#N CSC000169426 [0,1,0,0,0,0|2,0,1]=4 53 B11R1.17 Clc1ccccc1OCC=C CSC000172057 [0,1,0,0,0,0|1,0,0]=2 54 B11R1.17 Clc1ccccc1SCC#N CSC000149087 [0,1,0,0,0,0|2,0,1]=4 55 B11R1.17 FCCSc1ccccc1Br CSC010198681 [0,1,0,0,0,0|2,0,1]=4 56 B11R1.17 Fc1ccccc1OCC#N CSC000173231 [0,1,0,0,0,0|2,0,1]=4 57 B11R1.17 Fc1ccccc1OCC=C CSC000173442 [0,1,0,0,0,0|1,0,0]=2 58 B11R1.17 NCCNc1ccncc1Br CSC013404666 [0,1,0,0,0,0|2,0,1]=4 59 B11R1.17 NCCNc1ncccc1Br CSC011464841 [0,1,0,0,0,0|2,0,1]=4 60 B11R1.17 OCCNc1ccccc1Br CSC011233104 [0,1,0,0,0,0|1,0,1]=3 61 B11R1.17 OCCOc1ccccc1Cl CSC000230518 [0,1,0,0,0,0|2,0,1]=4 62 B11R1.17 OCCOc1ccccc1F CSC000756447 [0,1,0,0,0,0|2,0,1]=4 63 B11R1.17 OCCSc1ccccc1Br CSC000230852 [0,1,0,0,0,0|2,0,1]=4 64 B11R1.17 OCCSc1ccccc1Cl CSC000230572 [0,1,0,0,0,0|2,0,1]=4 65 B11R1.17 OCCSc1ccccc1F CSC000230732 [0,1,0,0,0,0|2,0,1]=4 66 B11R1.24 CCCOc1cccc(c1)C CSC000169976 [0,1,0,0,0,0|1,0,2]=4 67 B11R1.24 CCCSc1cccc(c1)Br CSC009815762 [0,1,0,0,0,0|1,0,2]=4 68 B11R1.24 CCCSc1cccc(c1)C CSC000055754 [0,1,0,0,0,0|1,0,2]=4 69 B11R1.24 CCCSc1cccc(c1)Cl CSC000059010 [0,1,0,0,0,0|1,0,2]=4 70 B11R1.24 Cc1cccc(c1)NCCO CSC011232808 [0,1,0,0,0,0|1,0,1]=3 71 B11R1.24 Cc1cccc(c1)OCCO CSC011215094 [0,1,0,0,0,0|2,0,1]=4 72 B11R1.24 Cc1cccc(c1)SCCO CSC011432187 [0,1,0,0,0,0|2,0,1]=4 73 B11R1.24 Cc1ccnc(c1)NCCN CSC011532785 [0,1,0,0,0,0|2,0,1]=4 74 B11R1.24 NCCNc1cncc(c1)Br CSC014501548 [0,1,0,0,0,0|2,0,1]=4 75 B11R1.24 OCCOc1cccc(c1)F CSC011305856 [0,1,0,0,0,0|2,0,1]=4 76 B11R1.24 OCCSc1cccc(c1)Br CSC011756134 [0,1,0,0,0,0|2,0,1]=4 77 B11R1.24 OCCSc1cccc(c1)Cl CSC011721761 [0,1,0,0,0,0|2,0,1]=4 78 B11R1.24 OCCSc1cccc(c1)F CSC011996949 [0,1,0,0,0,0|2,0,1]=4 79 B11R1.28 CC#CCNc1ccccc1 CSC011641403 [0,1,0,0,0,0|0,0,2]=3 80 B11R1.28 CCCCNc1ccccc1 CSC000211623 [0,1,0,0,0,0|0,0,2]=3 81 B11R1.28 CCCCNc1ccccn1 CSC000156416 [0,1,0,0,0,0|1,0,2]=4 82 B11R1.28 CCCCOc1ccccc1 CSC011212283 [0,1,0,0,0,0|1,0,2]=4 83 B11R1.28 CCCNCc1ccccn1 CSC000201641 [0,1,0,0,0,0|1,0,2]=4 84 B11R1.28 CCCNCc1cccnc1 CSC000180834 [0,1,0,0,0,0|1,0,2]=4 85 B11R1.28 CCCNCc1ccncc1 CSC000180873 [0,1,0,0,0,0|1,0,2]=4 86 B11R1.28 CCCSCc1ccccc1 CSC000006446 [0,1,0,0,0,0|1,0,2]=4 87 B11R1.28 COCCOc1ccccc1 CSC000757042 [0,1,0,0,0,0|1,0,2]=4 88 B11R1.28 COCCSc1ccccc1 CSC025761232 [0,1,0,0,0,0|1,0,2]=4 89 B11R1.28 CSCCCc1ccccc1 CSC000051364 [0,1,0,0,0,0|1,0,2]=4 90 B11R1.28 CSCCOc1ccccc1 CSC000148400 [0,1,0,0,0,0|1,0,2]=4 91 B11R1.28 N#CCCSc1ccccc1 CSC000172086 [0,1,0,0,0,0|1,0,2]=4 92 B11R1.28 OCCCOc1ccccc1 CSC011215863 [0,1,0,0,0,0|1,0,2]=4 93 B11R1.28 OCCNCc1ccccc1 CSC000180844 [0,1,0,0,0,0|1,0,1]=3 94 B11R1.28 OCCNCc1ccccn1 CSC000200435 [0,1,0,0,0,0|2,0,1]=4 95 B11R1.28 OCCNCc1ccncc1 CSC000200482 [0,1,0,0,0,0|2,0,1]=4 96 B11R1.28 OCCSCc1ccccc1 CSC011205989 [0,1,0,0,0,0|2,0,1]=4 97 B11R1.40 CCC(=O)Nc1ccccc1 CSC000153483 [0,1,0,0,0,0|0,0,3]=4 98 B11R1.40 CCC(C)Sc1ccccc1 CSC009831573 [0,1,0,0,0,0|1,0,2]=4 99 B11R1.40 CNC(=O)Nc1ccccc1 CSC000178567 [0,1,0,0,0,0|1,0,2]=4 100 B11R1.40 NCC(=O)Nc1ccccc1 CSC000168422 [0,1,0,0,0,0|1,0,2]=4 101 B11R1.91 CC(=C)COc1ccccc1 CSC000171512 [0,1,0,0,0,0|1,0,0]=2 102 B11R1.91 CC(=C)CSc1ccccc1 CSC000006268 [0,1,0,0,0,0|1,0,0]=2 103 B11R1.91 CC(=O)NNc1ccccc1 CSC000153448 [0,1,0,0,0,0|1,0,1]=3 104 B11R1.91 CC(=O)OCc1ccccc1 CSC000000625 [0,1,0,0,0,0|2,0,1]=4 105 B11R1.91 CC(C)CNc1ccccn1 CSC000156674 [0,1,0,0,0,0|1,0,2]=4 106 B11R1.91 CC(N)CNc1ccccn1 CSC011914399 [0,1,0,0,0,0|1,0,2]=4 107 B11R1.91 CC(O)CNc1ccccc1 CSC011364939 [0,1,0,0,0,0|0,0,2]=3 108 B11R1.91 NC(=O)C#Cc1ccccc1 CSC000041776 [0,1,0,0,0,0|2,0,1]=4 109 B11R1.91 NC(=O)COc1ccccc1 CSC000150575 [0,1,0,0,0,0|2,0,0]=3 110 B11R1.91 NC(=O)CSc1ccccn1 CSC000149794 [0,1,0,0,0,0|3,0,0]=4 111 B11R1.91 OC(=O)CSc1ccccn1 CSC000156281 [0,1,0,0,0,0|3,0,0]=4 112 B9R0.18 C=CCNC(=O)NCC=C CSC000024405 [0,0,1,0,0,0|2,0,1]=4 113 B10R1.1 CCNc1ccc(cc1)Cl CSC000220165 [1,1,0,0,0,0|0,0,1]=3 114 B10R1.1 CCNc1ccc(cn1)Br CSC000741496 [1,1,0,0,0,0|1,0,1]=4 115 B10R1.1 CCOc1ccc(cc1)Br CSC000169946 [1,1,0,0,0,0|1,0,1]=4 116 B10R1.1 CCOc1ccc(cc1)Cl CSC000169960 [1,1,0,0,0,0|1,0,1]=4 117 B10R1.1 CCOc1ccc(cc1)I CSC000171712 [1,1,0,0,0,0|1,0,1]=4 118 B10R1.1 CCSc1ccc(cc1)Br CSC009811893 [1,1,0,0,0,0|1,0,1]=4 119 B10R1.1 CCSc1ccc(cc1)C CSC000006686 [1,1,0,0,0,0|1,0,1]=4 120 B10R1.1 CCSc1ccc(cc1)Cl CSC000005996 [1,1,0,0,0,0|1,0,1]=4 121 B10R1.1 CCSc1ccc(cc1)F CSC000006007 [1,1,0,0,0,0|1,0,1]=4 122 B10R1.1 CSCc1ccc(cc1)C CSC000051358 [1,1,0,0,0,0|1,0,1]=4 123 B10R1.1 CSCc1ccc(cc1)Cl CSC000000312 [1,1,0,0,0,0|1,0,1]=4 124 B10R1.1 CSCc1ccc(cc1)F CSC000051356 [1,1,0,0,0,0|1,0,1]=4 125 B10R1.4 CCNc1ccccc1Cl CSC000219383 [1,1,0,0,0,0|0,0,1]=3 126 B10R1.4 CCOc1ccccc1Cl CSC000169953 [1,1,0,0,0,0|1,0,1]=4 127 B10R1.4 CCOc1ccccc1F CSC000172994 [1,1,0,0,0,0|1,0,1]=4 128 B10R1.4 CCSc1ccccc1C CSC000053911 [1,1,0,0,0,0|1,0,1]=4 129 B10R1.4 CCSc1ccccc1Cl CSC000006683 [1,1,0,0,0,0|1,0,1]=4 130 B10R1.4 CSCc1ccccc1Br CSC000148299 [1,1,0,0,0,0|1,0,1]=4 131 B10R1.4 CSCc1ccccc1Cl CSC000051354 [1,1,0,0,0,0|1,0,1]=4 132 B10R1.10 CCOc1cccc(c1)Cl CSC000170019 [1,1,0,0,0,0|1,0,1]=4 133 B10R1.10 CCOc1cccc(c1)F CSC000170038 [1,1,0,0,0,0|1,0,1]=4 134 B10R1.10 CCSc1cccc(c1)C CSC000055746 [1,1,0,0,0,0|1,0,1]=4 135 B10R1.10 CCSc1cccc(c1)Cl CSC000059004 [1,1,0,0,0,0|1,0,1]=4 136 B10R1.10 CCSc1cccc(c1)F CSC000106542 [1,1,0,0,0,0|1,0,1]=4 137 B10R1.10 CSCc1cccc(c1)Cl CSC000051353 [1,1,0,0,0,0|1,0,1]=4 138 B10R1.10 CSCc1cccc(c1)F CSC000053058 [1,1,0,0,0,0|1,0,1]=4 139 B10R1.18 CS(=O)Cc1ccccc1 CSC000064350 [1,1,0,0,0,0|1,0,1]=4 140 B12R1.1 CC#CCNc1ccc(cc1)C CSC011641516 [0,2,0,0,0,0|0,0,2]=4 141 B12R1.1 CCCNCc1ccc(cc1)Br CSC000186942 [0,2,0,0,0,0|0,0,2]=4 142 B12R1.1 CCCNCc1ccc(cc1)C CSC000186941 [0,2,0,0,0,0|0,0,2]=4 143 B12R1.1 CCCNCc1ccc(cc1)Cl CSC000180872 [0,2,0,0,0,0|0,0,2]=4 144 B12R1.1 OCCNCc1ccc(cc1)Br CSC000186819 [0,2,0,0,0,0|1,0,1]=4 145 B12R1.1 OCCNCc1ccc(cc1)Br CSC000186819 [0,2,0,0,0,0|1,0,1]=4 146 B12R1.1 OCCNCc1ccc(cc1)Cl CSC000180886 [0,2,0,0,0,0|1,0,1]=4 147 B12R1.1 OCCNCc1ccc(cc1)F CSC000180845 [0,2,0,0,0,0|1,0,1]=4 148 B12R1.21 CC(=O)COc1ccc(cc1)Cl CSC000150450 [0,2,0,0,0,0|1,0,1]=4 149 B12R1.21 CC(=O)CSc1ccc(cc1)C CSC000172844 [0,2,0,0,0,0|1,0,1]=4 150 B12R1.21 CC(=O)CSc1ccc(cc1)Cl CSC000150472 [0,2,0,0,0,0|1,0,1]=4 151 B12R1.21 CC(=O)CSc1ccc(cc1)F CSC000148136 [0,2,0,0,0,0|1,0,1]=4 152 B12R1.21 CC(=O)NNc1ccc(cc1)Br CSC009815283 [0,2,0,0,0,0|1,0,1]=4 153 B12R1.21 CC(=O)NNc1ccc(cc1)C CSC000002330 [0,2,0,0,0,0|1,0,1]=4 154 B12R1.21 Cc1ccc(cc1)SCC(=O)N CSC000149676 [0,2,0,0,0,0|2,0,0]=4 155 B12R1.21 NC(=O)CCc1ccc(cc1)Cl CSC000022186 [0,2,0,0,0,0|2,0,0]=4 156 B12R1.21 NC(=O)COc1ccc(cc1)Br CSC000150415 [0,2,0,0,0,0|2,0,0]=4 157 B12R1.21 NC(=O)COc1ccc(cc1)Cl CSC000150449 [0,2,0,0,0,0|2,0,0]=4 158 B12R1.21 NC(=O)COc1ccc(cc1)F CSC000150549 [0,2,0,0,0,0|2,0,0]=4 159 B12R1.21 NC(=O)CSc1ccc(cc1)Cl CSC000150469 [0,2,0,0,0,0|2,0,0]=4 160 B12R1.21 OC(=O)COc1ccc(cc1)Br CSC000182358 [0,2,0,0,0,0|2,0,0]=4 161 B12R1.69 Cc1cc(ccc1NCCO)Cl CSC012185096 [0,2,0,0,0,0|1,0,1]=4 162 B12R1.69 Cc1cc(ccc1OCC=C)Br CSC011308933 [0,2,0,0,0,0|1,0,0]=3 163 B12R1.69 Cc1ccc(c(c1)Br)OCC=C CSC000241584 [0,2,0,0,0,0|1,0,0]=3 164 B12R1.69 Cc1ccc(c(c1)F)NCCO CSC011243636 [0,2,0,0,0,0|1,0,1]=4 165 B12R1.69 Clc1cc(ccc1OCC=C)Br CSC009811538 [0,2,0,0,0,0|1,0,0]=3 166 B12R1.69 Clc1ccc(c(c1)Br)OCC=C CSC000172271 [0,2,0,0,0,0|1,0,0]=3 167 B12R1.69 Clc1ccc(c(c1)Cl)OCC=C CSC000006397 [0,2,0,0,0,0|1,0,0]=3 168 B12R1.69 Fc1cc(ccc1OCC=C)Br CSC000172283 [0,2,0,0,0,0|1,0,0]=3 169 B12R1.69 Fc1ccc(c(c1)Br)OCC=C CSC000172273 [0,2,0,0,0,0|1,0,0]=3 170 B12R1.71 C=CCNc1ccc(cn1)C#N CSC000242244 [0,2,0,0,0,0|1,0,0]=3 171 B12R1.71 C=CCOc1ccc(cc1)C#N CSC000172076 [0,2,0,0,0,0|1,0,0]=3 172 B12R1.385 Cc1cc(ccc1Br)OCC=C CSC012348113 [0,2,0,0,0,0|1,0,0]=3 173 B12R1.385 Fc1ccc(cc1Cl)SCC=C CSC000021473 [0,2,0,0,0,0|1,0,0]=3 174 B12R1.3 CCN(CC#C)c1ccccc1 CSC000224038 [0,2,0,0,0,0|0,0,2]=4 175 B12R1.30 C=CCNC(=O)c1ccccc1 CSC000160304 [0,2,0,0,0,0|0,0,0]=2 176 B12R1.30 C=CCNC(=O)c1cccnc1 CSC000160286 [0,2,0,0,0,0|1,0,0]=3 177 B12R1.30 C=CCOC(=O)c1ccccc1 CSC000006409 [0,2,0,0,0,0|1,0,0]=3 178 B12R1.30 CC(NCC#C)c1ccccc1 CSC000216251 [0,2,0,0,0,0|0,0,2]=4 179 B12R1.30 CC(NCCO)c1ccccc1 CSC000224688 [0,2,0,0,0,0|1,0,1]=4 180 B12R1.30 CCCNC(=O)c1ccccc1 CSC000161722 [0,2,0,0,0,0|0,0,2]=4 181 B12R1.30 CCCNC(C)c1ccccc1 CSC000187307 [0,2,0,0,0,0|0,0,2]=4 182 B12R1.30 CN(CCCN)c1ccccc1 CSC000211881 [0,2,0,0,0,0|0,0,2]=4 183 B12R1.30 C[C@@H](NCC=C)c1ccccc1 CSC011934170 [0,2,0,0,0,0|0,0,0]=2 184 B12R1.30 C[C@@H](NCCO)c1ccccc1 CSC000753783 [0,2,0,0,0,0|1,0,1]=4 185 B12R1.30 O=C(NCC#C)c1ccccc1 CSC000175919 [0,2,0,0,0,0|0,0,2]=4 186 B12R1.39 C=CCS(=O)(=O)c1ccccc1 CSC000014074 [0,2,0,0,0,0|1,0,0]=3 187 B12R1.107 CN(CC(=O)O)c1ccccn1 CSC015360306 [0,2,0,0,0,0|2,0,0]=4 188 B12R1.107 CN(NC(=O)C)c1ccccc1 CSC000017130 [0,2,0,0,0,0|1,0,1]=4 189 B12R1.107 NC(=O)CS(=O)c1ccccc1 CSC000064346 [0,2,0,0,0,0|2,0,0]=4 190 B12R1.121 C=CCOc1ccccc1C#N CSC000172157 [0,2,0,0,0,0|1,0,0]=3 191 B12R1.121 CCc1ccccc1NCCO CSC011233141 [0,2,0,0,0,0|1,0,1]=4 192 B12R1.121 COc1ccccc1OCC=C CSC000006401 [0,2,0,0,0,0|1,0,0]=3 193 B12R1.121 COc1ccccc1SCC=C CSC000055742 [0,2,0,0,0,0|1,0,0]=3 194 B12R1.121 OCc1ccccc1OCC=C CSC000246290 [0,2,0,0,0,0|1,0,0]=3 195 B12R1.125 CC(=C)COc1ccccc1C CSC000171510 [0,2,0,0,0,0|1,0,0]=3 196 B12R1.125 CC(=C)CSc1ccccc1C CSC000053913 [0,2,0,0,0,0|1,0,0]=3 197 B12R1.125 CC(=O)NNc1ccccc1C CSC015226515 [0,2,0,0,0,0|1,0,1]=4 198 B12R1.125 CC(C)CNc1ccccc1Br CSC011231685 [0,2,0,0,0,0|0,0,2]=4 199 B12R1.125 Cc1ccccc1OCC(=O)N CSC000150533 [0,2,0,0,0,0|2,0,0]=4 200 B12R1.125 NC(=O)CCc1ccccc1Cl CSC000162028 [0,2,0,0,0,0|2,0,0]=4 201 B12R1.125 NC(=O)CCc1ccccc1F CSC000016472 [0,2,0,0,0,0|2,0,0]=4 202 B12R1.125 NC(=O)COc1ccccc1Cl CSC000150432 [0,2,0,0,0,0|2,0,0]=4 203 B12R1.125 NC(=O)COc1ccccc1F CSC000150391 [0,2,0,0,0,0|2,0,0]=4 204 B12R1.125 NC(=O)COc1ccccc1O CSC000162348 [0,2,0,0,0,0|2,0,0]=4 205 B12R1.125 NC(=O)NNc1ccccc1Cl CSC000022921 [0,2,0,0,0,0|2,0,0]=4 206 B12R1.125 OC(=O)COc1ccccc1F CSC000182486 [0,2,0,0,0,0|2,0,0]=4 207 B12R1.267 CCCNCc1ccccc1C CSC000196471 [0,2,0,0,0,0|0,0,2]=4 208 B12R1.267 CCCNCc1ccccc1Cl CSC000196458 [0,2,0,0,0,0|0,0,2]=4 209 B12R1.267 Cc1ccccc1CNCCO CSC000200476 [0,2,0,0,0,0|1,0,1]=4 210 B12R1.267 Cc1ccccc1NCCC#N CSC000219713 [0,2,0,0,0,0|0,0,2]=4 211 B12R1.267 OCCNCc1ccccc1Cl CSC000200449 [0,2,0,0,0,0|1,0,1]=4 212 B12R1.267 OCCNCc1ccccc1F CSC000200485 [0,2,0,0,0,0|1,0,1]=4 213 B12R1.374 Cc1ccc(c(c1)SCC=C)C CSC000006498 [0,2,0,0,0,0|1,0,0]=3 214 B12R1.374 Cc1ccc(cc1OCC=C)Br CSC013996621 [0,2,0,0,0,0|1,0,0]=3 215 B12R1.374 Clc1ccc(c(c1)NCC#C)Cl CSC000220016 [0,2,0,0,0,0|0,0,2]=4 216 B12R1.374 Fc1ccc(cc1OCC=C)Br CSC013224552 [0,2,0,0,0,0|1,0,0]=3 217 B12R1.1631 Fc1cccc(c1OCC=C)F CSC000047891 [0,2,0,0,0,0|1,0,0]=3 218 B12R1.28 CCCCNc1cccc(c1)C CSC000219676 [0,2,0,0,0,0|0,0,2]=4 219 B12R1.28 CCCNCc1cccc(c1)Br CSC000187640 [0,2,0,0,0,0|0,0,2]=4 220 B12R1.28 CCCNCc1cccc(c1)C CSC000196480 [0,2,0,0,0,0|0,0,2]=4 221 B12R1.28 CCCNCc1cccc(c1)Cl CSC000196467 [0,2,0,0,0,0|0,0,2]=4 222 B12R1.28 CCCNCc1cccc(c1)F CSC000196477 [0,2,0,0,0,0|0,0,2]=4 223 B12R1.28 OCCNCc1cccc(c1)Br CSC000187539 [0,2,0,0,0,0|1,0,1]=4 224 B12R1.100 Cc1cc(nc(n1)NCC=C)C CSC000243907 [0,2,0,0,0,0|2,0,0]=4 225 B12R1.100 Fc1cc(cc(c1)OCC=C)Br CSC012568985 [0,2,0,0,0,0|1,0,0]=3 226 B12R1.226 NC(=O)COc1cccc(c1)Cl CSC000150646 [0,2,0,0,0,0|2,0,0]=4 227 B12R1.382 C=CCOc1cccc(c1)C#N CSC000172524 [0,2,0,0,0,0|1,0,0]=3 228 B12R1.8 C=CCCNCc1ccccc1 CSC011934112 [0,2,0,0,0,0|0,0,0]=2 229 B12R1.8 CCCCCNc1ccccc1 CSC000219563 [0,2,0,0,0,0|0,0,2]=4 230 B12R1.8 CCCCNCc1ccccc1 CSC000196024 [0,2,0,0,0,0|0,0,2]=4 231 B12R1.27 CC(CO)NCc1ccccc1 CSC000713660 [0,2,0,0,0,0|1,0,1]=4 232 B12R1.27 CCC(=O)NNc1ccccc1 CSC000001587 [0,2,0,0,0,0|1,0,1]=4 233 B12R1.27 CNC(=O)CCc1ccccc1 CSC000159837 [0,2,0,0,0,0|1,0,1]=4 234 B12R1.27 CNC(=O)COc1ccccc1 CSC000150564 [0,2,0,0,0,0|1,0,1]=4 235 B12R1.27 CNC(=O)CSc1ccccc1 CSC000150703 [0,2,0,0,0,0|1,0,1]=4 236 B12R1.27 COC(=O)COc1ccccc1 CSC000148705 [0,2,0,0,0,0|1,0,1]=4 237 B12R1.27 COC(=O)CSc1ccccc1 CSC000151200 [0,2,0,0,0,0|1,0,1]=4 238 B12R1.27 NNC(=O)CCc1ccccc1 CSC000189782 [0,2,0,0,0,0|2,0,0]=4 239 B12R1.27 NNC(=O)COc1ccccc1 CSC000186219 [0,2,0,0,0,0|2,0,0]=4 240 B12R1.27 NNC(=O)CSc1ccccc1 CSC000189974 [0,2,0,0,0,0|2,0,0]=4 241 B12R1.32 CN(CC=C)Cc1ccccc1 CSC000018679 [0,2,0,0,0,0|0,0,0]=2 242 B12R1.32 CNCC(=O)Nc1ccccc1 CSC000168086 [0,2,0,0,0,0|1,0,1]=4 243 B12R1.32 NCCC(=O)Nc1ccccc1 CSC011195676 [0,2,0,0,0,0|1,0,1]=4 244 B12R1.252 CC(=C)CNCc1ccccc1 CSC000224140 [0,2,0,0,0,0|0,0,0]=2 245 B12R1.252 CC(=CCOc1ccccc1)C CSC000173691 [0,2,0,0,0,0|1,0,0]=3 246 B12R1.252 CC(=O)CCSc1ccccc1 CSC000208507 [0,2,0,0,0,0|1,0,1]=4 247 B12R1.252 CC(=O)CSCc1ccccc1 CSC000172147 [0,2,0,0,0,0|1,0,1]=4 248 B12R1.252 CC(=O)NCCc1ccccc1 CSC000153396 [0,2,0,0,0,0|1,0,1]=4 249 B12R1.252 CC(=O)OCCc1ccccc1 CSC000024547 [0,2,0,0,0,0|1,0,1]=4 250 B12R1.252 CC(C)CCNc1ccccc1 CSC000219564 [0,2,0,0,0,0|0,0,2]=4 251 B12R1.252 NC(=O)CCCc1ccccc1 CSC011273634 [0,2,0,0,0,0|1,0,1]=4 252 B12R1.252 NC(=O)CSCc1ccccc1 CSC000149389 [0,2,0,0,0,0|2,0,0]=4 253 B12R1.252 NC(=O)NCCc1ccccc1 CSC000238938 [0,2,0,0,0,0|2,0,0]=4 254 B12R1.43 NC(=O)C(=O)Nc1ccccc1 CSC000015721 [0,2,0,0,0,0|1,0,1]=4 255 B12R1.43 N[C@@H](Cc1ccccc1)C(=O)N CSC011423145 [0,2,0,0,0,0|2,0,0]=4 256 B12R2.2 c1c[nH]c(n1)c2ccccc2 CSC000211779 [0,1,0,1,0,0|1,0,1]=4 257 B12R2.2 c1csc(n1)c2ccccc2 CSC011996109 [0,1,0,1,0,0|2,0,0]=4 258 B12R2.2057 C(NC1CC1)c2ccccc2 CSC000196367 [0,1,0,1,0,0|0,0,2]=4 259 B12R2.2057 C(Nc1ccccc1)C2CC2 CSC011316272 [0,1,0,1,0,0|0,0,2]=4