0 B14R2.8239 CC1OC2=CC=C(N)C=C2NC1=O SBB010625 [0,0,0,0,0,0|3,0,1]=4 1 B14R2.8239 NC1=CC2=C(C=C1)NC(=O)C(=O)N2 SBB010604 [0,0,0,0,0,0|2,0,1]=3 2 B14R2.8239 OC1=NC2=CC=C(Cl)C=C2N=C1O SBB092055 [0,0,0,0,0,0|1,1,2]=4 3 B13R2.155 CC1=CC2=C(C=C1)OCC(=O)N2 SBB087684 [1,0,0,0,0,0|2,0,1]=4 4 B13R2.155 CC1=NC2=C(C=CC(F)=C2)C=C1 SBB087524 [1,0,0,0,0,0|1,0,1]=3 5 B13R2.155 CC1=NC2=CC(Cl)=CC=C2C=C1 SBB054589 [1,0,0,0,0,0|1,1,1]=4 6 B13R2.155 NC1=CC2=C(C=C1)CCC(=O)N2 SBB012767 [1,0,0,0,0,0|1,0,2]=4 7 B13R2.155 NC1=CC2=C(C=C1)N=CC(=O)N2 SBB014164 [1,0,0,0,0,0|2,0,0]=3 8 B13R2.155 NC1=CC2=C(C=C1)SCC(=O)N2 SBB007506 [1,0,0,0,0,0|2,0,1]=4 9 B13R2.155 NC1=CC=C2C=CC(O)=CC2=C1 SBB047734 [1,0,0,0,0,0|2,0,1]=4 10 B13R2.155 NC1=CC=C2OCC(=O)NC2=C1 SBB016739 [1,0,0,0,0,0|2,0,1]=4 11 B13R2.155 O=C1C=NC2=C(C=C(Br)C=C2)N1 SBB014181 [1,0,0,0,0,0|1,1,0]=3 12 B13R2.155 O=C1COC2=C(C=C(Cl)C=C2)N1 SBB003725 [1,0,0,0,0,0|1,1,1]=4 13 B13R2.155 O=C1COC2=CC=C(F)C=C2N1 SBB019002 [1,0,0,0,0,0|1,0,1]=3 14 B13R2.155 OC1=CC=C2C=CC(O)=CC2=C1 SBB061307 [1,0,0,0,0,0|2,0,1]=4 15 B13R2.369 CC1=C(C)C=C2C=CC=CC2=C1 SBB060955 [1,0,0,0,0,0|3,0,0]=4 16 B13R2.369 CC1=CC2=CC=CC=C2N=C1Cl SBB041011 [1,0,0,0,0,0|2,0,1]=4 17 B13R2.369 CC1NC2=CC=CC=C2NC1=O SBB056026 [1,0,0,0,0,0|2,0,1]=4 18 B13R2.369 CN1CC2=C(C=CC=C2)NC1=O SBB057720 [1,0,0,0,0,0|2,0,1]=4 19 B13R2.369 N=C1NC2=C(C=CC=C2)NC1=O SBB018775 [1,0,0,0,0,0|2,0,0]=3 20 B13R2.369 NC1=C(O)C=C2C=CC=CC2=C1 SBB056891 [1,0,0,0,0,0|2,0,0]=3 21 B13R2.369 NC1=CC2=C(C=CC=C2)C=C1N SBB000127 [1,0,0,0,0,0|3,0,0]=4 22 B13R2.369 NC1=CC2=C(C=CC=C2)OC1=O SBB028346 [1,0,0,0,0,0|2,0,0]=3 23 B13R2.369 NC1CC2=CC=CC=C2NC1=O SBB050350 [1,0,0,0,0,0|1,0,2]=4 24 B13R2.369 O=C1NC2=CC=CC=C2OC1=O SBB108834 [1,0,0,0,0,0|1,0,1]=3 25 B13R2.369 O=C1NC2=CC=CN=C2NC1=O SBB087674 [1,0,0,0,0,0|2,0,1]=4 26 B13R2.369 O=C1OC2=CC=CC=C2C=C1O SBB056328 [1,0,0,0,0,0|1,0,0]=2 27 B13R2.369 OC1=C(C)N=C2C=CC=CC2=N1 SBB003967 [1,0,0,0,0,0|2,0,1]=4 28 B13R2.369 OC1=CC2=C(C=CC=C2)C=C1O SBB059330 [1,0,0,0,0,0|1,0,1]=3 29 B13R2.369 OC1=NC2=C(C=CC=C2)N=C1O SBB000138 [1,0,0,0,0,0|1,0,2]=4 30 B13R2.3683 CC1=CC=C2C=C(C)C=CC2=C1 SBB061146 [1,0,0,0,0,0|3,0,0]=4 31 B13R2.3683 CC1=NC2=C(C=C1)C=C(F)C=C2 SBB087523 [1,0,0,0,0,0|3,0,0]=4 32 B13R2.3683 NC1=CC=C2C=C(N)C=CC2=C1 SBB072565 [1,0,0,0,0,0|3,0,0]=4 33 B13R2.3683 O=C1C=CC2=CC(O)=CC=C2O1 SBB056309 [1,0,0,0,0,0|3,0,0]=4 34 B13R2.3683 OC1=CC2=C(C=C1)C=C(O)C=C2 SBB000129 [1,0,0,0,0,0|2,0,0]=3 35 B13R2.3683 OC1=CC2=CC=C(Br)C=C2C=C1 SBB054639 [1,0,0,0,0,0|1,1,0]=3 36 B15R2.63893 CC1=C(Cl)C(=O)OC2=CC(O)=CC=C21 SBB043697 [0,1,0,0,0,0|3,0,0]=4 37 B13R1.133 C\C(=C/C1=CC=C(F)C=C1)[N+](=O)[O-] SBB089774 [0,0,1,0,0,0|3,0,0]=4 38 B13R1.2872 CC1=CC=C(F)C=C1NC(=O)CCl SBB002363 [0,0,1,0,0,0|1,0,2]=4 39 B13R1.2872 O=C(CCl)NC1=CC(F)=CC=C1F SBB002361 [0,0,1,0,0,0|2,0,1]=4 40 B13R2.3028 CC1=CC=C2NC(=O)C(=O)C2=C1 SBB038748 [0,0,0,0,1,0|2,0,1]=4 41 B13R2.3028 N1C(=O)C(=O)C2=C1C=CC(Cl)=C2 SBB003741 [0,0,0,0,1,0|1,1,1]=4 42 B13R2.3028 O=C1NC2=C(C=C(Br)C=C2)C1=O SBB061707 [0,0,0,0,1,0|1,1,1]=4 43 B13R2.3028 O=C1NC2=C(C=C(F)C=C2)C1=O SBB012610 [0,0,0,0,1,0|1,0,1]=3 44 B13R2.3028 O=C1NC2=CC=C(Br)C=C2C1=O SBB038749 [0,0,0,0,1,0|1,1,1]=4 45 B13R2.3028 O=C1NC2=CC=C(I)C=C2C1=O SBB061948 [0,0,0,0,1,0|1,1,1]=4 46 B13R2.5190 O=C1NC2=CC(Br)=CC=C2C1=O SBB054674 [0,0,0,0,1,0|0,1,1]=3 47 B12R1.21 CC(=O)\C=C\C1=CC=C(Br)C=C1 SBB017373 [1,0,1,0,0,0|1,1,0]=4 48 B12R1.21 CC(=O)\C=C\C1=CC=C(Cl)C=C1 SBB089732 [1,0,1,0,0,0|1,1,0]=4 49 B12R1.21 CC(=O)\C=C\C1=CC=C(F)C=C1 SBB087791 [1,0,1,0,0,0|1,0,0]=3 50 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 SBB015822 [1,0,1,0,0,0|2,0,0]=4 51 B12R1.21 CC1=CC=C(\C=C\C(N)=O)C=C1 SBB113392 [1,0,1,0,0,0|1,0,0]=3 52 B12R1.21 NC(=O)COC1=CC=C(F)C=C1 SBB088264 [1,0,1,0,0,0|1,0,1]=4 53 B12R1.21 NC(=O)NCC1=CC=C(F)C=C1 SBB088171 [1,0,1,0,0,0|1,0,1]=4 54 B12R1.21 NC(=O)NNC1=CC=C(F)C=C1 SBB058365 [1,0,1,0,0,0|2,0,0]=4 55 B12R1.21 NC(=O)\C=C\C1=CC=C(Cl)C=C1 SBB008061 [1,0,1,0,0,0|0,1,0]=3 56 B12R1.21 NC1=CC=C(\C=C\C(=O)O)C=C1 SBB003553 [1,0,1,0,0,0|2,0,0]=4 57 B12R1.21 O=C(O)\C=C\C1=CC=C(Br)C=C1 SBB059537 [1,0,1,0,0,0|1,1,0]=4 58 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 SBB008203 [1,0,1,0,0,0|1,1,0]=4 59 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 SBB005718 [1,0,1,0,0,0|1,0,0]=3 60 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 SBB007613 [1,0,1,0,0,0|2,0,0]=4 61 B12R1.21 O=[N+]([O-])\C=C\C1=CC=C(F)C=C1 SBB088052 [1,0,1,0,0,0|2,0,0]=4 62 B12R1.43 C\C(=C/C1=CC=CC=C1)C(=O)O SBB017509 [1,0,1,0,0,0|2,0,0]=4 63 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 SBB012361 [1,0,1,0,0,0|2,0,0]=4 64 B12R1.43 O=C(O)\C(F)=C\C1=CC=CC=C1 SBB087976 [1,0,1,0,0,0|2,0,0]=4 65 B12R1.43 O=C(O)\C(S)=C/C1=CC=CC=C1 SBB043389 [1,0,1,0,0,0|1,1,0]=4 66 B12R1.50 O=C(CCl)NC1=CC=CC(F)=C1 SBB040612 [1,0,1,0,0,0|1,0,1]=4 67 B12R1.226 OC(=O)\C=C\C1=CC(F)=CC=C1 SBB006621 [1,0,1,0,0,0|2,0,0]=4 68 B12R1.127 CC(=O)NC1=C(F)C=CC(F)=C1 SBB088486 [1,0,1,0,0,0|1,0,1]=4 69 B12R1.127 CC1=C(CC(=O)O)C=C(F)C=C1 SBB088165 [1,0,1,0,0,0|1,0,1]=4 70 B12R1.127 O=C(O)CC1=CC(F)=CC=C1Cl SBB064342 [1,0,1,0,0,0|2,0,0]=4 71 B12R1.127 OC(=O)CC1=C(F)C=CC(F)=C1 SBB006659 [1,0,1,0,0,0|2,0,0]=4 72 B12R1.233 CC1=C(CC(=O)O)C=CC(F)=C1 SBB027289 [1,0,1,0,0,0|1,0,1]=4 73 B12R1.233 O=C(O)CC1=C(F)C=C(F)C=C1 SBB037936 [1,0,1,0,0,0|1,0,1]=4 74 B12R1.233 OC(=O)CC1=C(Cl)C=C(F)C=C1 SBB003675 [1,0,1,0,0,0|1,0,1]=4 75 B12R2.24 BrC1=CC2=C(C=CC=C2)N=C1 SBB059386 [2,0,0,0,0,0|1,0,1]=4 76 B12R2.24 BrC1=CC=C2C=CC=CC2=N1 SBB093967 [2,0,0,0,0,0|1,0,1]=4 77 B12R2.24 CC1=CC2=C(C=CC=N2)C=C1 SBB059301 [2,0,0,0,0,0|1,0,1]=4 78 B12R2.24 CC1=CC=C2C=CC=CC2=C1 SBB060085 [2,0,0,0,0,0|2,0,0]=4 79 B12R2.24 CC1=NC2=C(C=CC=C2)C=C1 SBB008939 [2,0,0,0,0,0|1,0,1]=4 80 B12R2.24 ClC1=CC=C2C=CC=CC2=N1 SBB056975 [2,0,0,0,0,0|1,0,1]=4 81 B12R2.24 FC1=CC2=C(C=C1)N=CC=C2 SBB086530 [2,0,0,0,0,0|2,0,0]=4 82 B12R2.24 FC1=CC2=C(C=C1)N=CC=N2 SBB086576 [2,0,0,0,0,0|1,0,1]=4 83 B12R2.24 FC1=CC2=C(C=CC=C2)C=C1 SBB086491 [2,0,0,0,0,0|1,0,0]=3 84 B12R2.24 NC1=CC2=C(C=CC=C2)N=C1 SBB004125 [2,0,0,0,0,0|1,0,1]=4 85 B12R2.24 NC1=CC2=C(C=CC=C2)N=C1 SBB004128 [2,0,0,0,0,0|1,0,1]=4 86 B12R2.24 NC1=CC=C2C=CC=CC2=C1 SBB057506 [2,0,0,0,0,0|2,0,0]=4 87 B12R2.24 NC1=NC2=CC=CC=C2C=C1 SBB051994 [2,0,0,0,0,0|1,0,1]=4 88 B12R2.24 O=C1C=CC2=C(C=CC=C2)O1 SBB000094 [2,0,0,0,0,0|1,0,0]=3 89 B12R2.24 O=C1C=CC2=CC=CC=C2N1 SBB004119 [2,0,0,0,0,0|0,0,0]=2 90 B12R2.24 O=C1CCC2=CC=CC=C2N1 SBB056014 [2,0,0,0,0,0|0,0,2]=4 91 B12R2.24 O=C1CNC2=C(C=CC=C2)N1 SBB017923 [2,0,0,0,0,0|1,0,1]=4 92 B12R2.24 O=C1COC2=CC=CC=C2N1 SBB016409 [2,0,0,0,0,0|1,0,1]=4 93 B12R2.24 O=C1CSC2=C(C=CC=C2)N1 SBB061807 [2,0,0,0,0,0|1,0,1]=4 94 B12R2.24 OC1=CC2=C(C=CC=C2)N=C1 SBB059635 [2,0,0,0,0,0|0,0,1]=3 95 B12R2.24 OC1=CC2=CC=CC=C2C=C1 SBB040896 [2,0,0,0,0,0|1,0,0]=3 96 B12R2.24 OC1=CC=C2C=CN=CC2=C1 SBB056018 [2,0,0,0,0,0|2,0,0]=4 97 B12R2.24 OC1=CC=C2N=CC=CC2=C1 SBB004117 [2,0,0,0,0,0|2,0,0]=4 98 B12R2.24 OC1=NC2=CC=CC=C2N=C1 SBB056025 [2,0,0,0,0,0|1,0,1]=4 99 B12R2.24 SC1=CC2=C(C=CC=C2)C=C1 SBB059269 [2,0,0,0,0,0|1,1,0]=4 100 B14R1.536 CC1=CC=C(\C=C(/C#N)C(N)=O)C=C1 SBB112565 [0,1,1,0,0,0|2,0,0]=4 101 B14R1.536 N#C\C(=C/C1=CC=C(Br)C=C1)C(N)=O SBB112560 [0,1,1,0,0,0|1,1,0]=4 102 B14R1.536 N#C\C(=C/C1=CC=C(Cl)C=C1)C(N)=O SBB093757 [0,1,1,0,0,0|1,1,0]=4 103 B14R1.536 N#C\C(=C/C1=CC=C(F)C=C1)C(N)=O SBB112561 [0,1,1,0,0,0|1,0,0]=3 104 B14R1.536 N#C\C(=C/C1=CC=C(O)C=C1)C(N)=O SBB112531 [0,1,1,0,0,0|2,0,0]=4 105 B14R1.950 O=C(\C=N\O)NC1=CC(Cl)=CC=C1Cl SBB098036 [0,1,1,0,0,0|1,1,0]=4 106 B14R2.134 CC1=CC=C2C=CC(C=O)=CC2=C1 SBB088422 [1,1,0,0,0,0|2,0,0]=4 107 B14R2.29365 CC1=CC(=O)NC2=C1C=CC(N)=C2 SBB059405 [1,1,0,0,0,0|1,0,0]=3 108 B14R2.29365 CC1=CC(=O)NC2=C1C=CC(N)=N2 SBB013623 [1,1,0,0,0,0|2,0,0]=4 109 B14R2.29365 CC1=CC(=O)OC2=C1C=CC(N)=C2 SBB008517 [1,1,0,0,0,0|2,0,0]=4 110 B14R2.29365 CC1=CC(=O)OC2=C1C=CC(O)=C2 SBB009085 [1,1,0,0,0,0|2,0,0]=4 111 B14R2.29365 CC1=CC2=C(C=C1)C(C)=CC(=O)O2 SBB088913 [1,1,0,0,0,0|2,0,0]=4 112 B14R2.1128 N#CC1=CC2=CC=CC=C2OC1=O SBB067605 [1,1,0,0,0,0|2,0,0]=4 113 B14R2.1128 NNC1=NC2=CC=CC=C2NC1=O SBB017861 [1,1,0,0,0,0|2,0,0]=4 114 B14R2.1128 O=C1NC2=CC=CC=C2N=C1CBr SBB054976 [1,1,0,0,0,0|2,0,0]=4 115 B14R2.1128 O=CC1=CC2=C(C=CC=C2)NC1=O SBB005056 [1,1,0,0,0,0|0,0,1]=3 116 B14R2.8188 CC1=C(Br)C(=O)NC2=CC=CC=C21 SBB049553 [1,1,0,0,0,0|1,0,0]=3 117 B14R2.8188 CN1C(=O)C(=O)NC2=CC=CC=C21 SBB017865 [1,1,0,0,0,0|1,0,1]=4 118 B14R2.8188 CN1C(=O)NC2=CC=CC=C2C1=O SBB006365 [1,1,0,0,0,0|2,0,0]=4 119 B14R2.28472 NC1=C2NC(=O)C(=O)NC2=CC=C1 SBB014623 [1,1,0,0,0,0|1,0,1]=4 120 B14R2.2332 COC1=CC2=C(C=C1)C=C(Br)C=C2 SBB059487 [1,1,0,0,0,0|1,1,0]=4 121 B14R2.2332 N#CC1=CC2=C(C=C1)C=C(O)C=C2 SBB059370 [1,1,0,0,0,0|2,0,0]=4 122 B14R2.2332 O=CC1=CC2=CC=C(O)C=C2C=C1 SBB052354 [1,1,0,0,0,0|2,0,0]=4 123 B14R2.29369 OC1=CC=C2C=C(Br)C=CC2=C1Br SBB043714 [1,1,0,0,0,0|1,1,0]=4 124 B14R2.8716 CN1C(=O)C(=O)C2=CC(F)=CC=C21 SBB013309 [0,1,0,0,1,0|1,0,1]=4 125 B14R2.19008 CC1=C(C=O)C2=CC(F)=CC=C2N1 SBB010606 [0,1,0,0,1,0|2,0,0]=4 126 B14R2.8737 CC1=C(C)C2=C(C=C1)C(=O)C(=O)N2 SBB072811 [0,1,0,0,1,0|1,0,1]=4 127 B14R2.8737 CC1=C(Cl)C=CC2=C1NC(=O)C2=O SBB066731 [0,1,0,0,1,0|0,1,1]=4 128 B14R2.27750 O=C1NC2=C(C1=O)C(Cl)=CC(Cl)=C2 SBB013560 [0,1,0,0,1,0|0,1,1]=4 129 B16R2.23520 CC1=CC2=C(C=C1)C=C(C(=O)O)C(=O)N2 SBB007457 [0,2,0,0,0,0|1,0,0]=3 130 B16R2.37660 COC1=CC=C2C=C(C=O)C(=O)NC2=C1 SBB041661 [0,2,0,0,0,0|1,0,1]=4 131 B16R2.37660 CSC1=CC=C2C=C(C=O)C(=O)NC2=C1 SBB302183 [0,2,0,0,0,0|1,0,1]=4 132 B16R2.41208 CC1=CC2=C(C=C(C=O)C(=O)N2)C(C)=C1 SBB092766 [0,2,0,0,0,0|1,0,1]=4 133 B16R2.23521 O=C(O)C1=CC2=C(C=CC(O)=C2)C=C1O SBB037881 [0,2,0,0,0,0|2,0,0]=4 134 B14R2.4529 CC1=CC=C2C=C(C(=O)O)OC2=C1 SBB301967 [0,0,1,1,0,0|2,0,0]=4 135 B14R2.4529 O=C(O)C1=CC2=C(C=C(F)C=C2)N1 SBB017983 [0,0,1,1,0,0|2,0,0]=4 136 B14R2.7969 O=C(O)C1=CC2=C(F)C=CC=C2N1 SBB048931 [0,0,1,1,0,0|2,0,0]=4 137 B12R1.20 O=C(O)C(O)C1=CC=C(F)C=C1 SBB063787 [0,0,1,0,1,0|1,0,1]=4 138 B12R2.132 CC1=CNC2=C1C=C(F)C=C2 SBB086634 [1,0,0,0,1,0|2,0,0]=4 139 B12R2.132 CC1=CSC2=CC=C(F)C=C12 SBB088020 [1,0,0,0,1,0|2,0,0]=4 140 B12R2.132 O=C1CCC2=CC=C(F)C=C12 SBB056321 [1,0,0,0,1,0|0,0,2]=4 141 B12R2.606 CC1=CC2=C(C=C1)NC(=O)N2 SBB059280 [1,0,0,0,1,0|2,0,0]=4 142 B12R2.606 FC1=CC2=C(C=C1)N=C(S)N2 SBB019016 [1,0,0,0,1,0|1,1,0]=4 143 B12R2.606 FC1=CC=C2N=C(Cl)NC2=C1 SBB054582 [1,0,0,0,1,0|2,0,0]=4 144 B12R2.606 N1C(=O)OC2=C1C=C(Cl)C=C2 SBB003864 [1,0,0,0,1,0|1,1,0]=4 145 B12R2.606 NC1=CC2=C(C=C1)NC(=O)N2 SBB012801 [1,0,0,0,1,0|2,0,0]=4 146 B12R2.606 NC1=CC2=C(C=C1)OC(=O)N2 SBB072177 [1,0,0,0,1,0|2,0,0]=4 147 B12R2.606 NC1=CC=C2CC(=O)NC2=C1 SBB072398 [1,0,0,0,1,0|1,0,1]=4 148 B12R2.606 O=C1CC2=C(C=C(Cl)C=C2)N1 SBB058442 [1,0,0,0,1,0|0,1,1]=4 149 B12R2.606 O=C1CC2=CC(F)=CC=C2N1 SBB018719 [1,0,0,0,1,0|2,0,0]=4 150 B12R2.606 O=C1NC2=CC=C(Br)C=C2N1 SBB094734 [1,0,0,0,1,0|1,1,0]=4 151 B12R2.606 O=C1NC2=CC=C(Cl)C=C2N1 SBB056005 [1,0,0,0,1,0|1,1,0]=4 152 B12R2.606 O=C1NC2=CC=C(F)C=C2N1 SBB056008 [1,0,0,0,1,0|1,0,0]=3 153 B12R2.18 O=C1CC2=C(C=CC=C2)C1=O SBB068426 [1,0,0,0,1,0|0,0,2]=4 154 B12R2.18 O=C1NC2=C(C=CC=C2)C1=O SBB009100 [1,0,0,0,1,0|0,0,1]=3 155 B12R2.18 O=C1SC2=C(C=CC=C2)C1=O SBB087795 [1,0,0,0,1,0|1,0,1]=4 156 B14R2.738 CC1=NC2=C(C=CC=C2)NC(=O)C1 SBB009494 [1,0,0,0,0,1|2,0,0]=4 157 B14R2.738 O=C1CC(=O)NC2=CC=CC=C2N1 SBB042852 [1,0,0,0,0,1|1,0,1]=4