0 B7R1.2 BrC1=CC(Br)=NN1 CS-0051603 [0,0,0,0,0,0|4,0,0]=4 1 B7R1.2 BrC1=CSC(Br)=C1 CS-M0432 [0,0,0,0,0,0|2,1,1]=4 2 B7R1.2 CC1=CC(=O)CC1 CS-W013730 [0,0,0,0,0,0|1,0,0]=1 3 B7R1.2 CC1=CC(=O)NN1 CS-W013725 [0,0,0,0,0,0|2,0,0]=2 4 B7R1.2 CC1=CC(Br)=CS1 CS-W003194 [0,0,0,0,0,0|1,1,1]=3 5 B7R1.2 CC1=CC(Br)=NN1 CS-W019617 [0,0,0,0,0,0|3,0,0]=3 6 B7R1.2 CC1=CC(Br)=NO1 CS-W018569 [0,0,0,0,0,0|2,0,0]=2 7 B7R1.2 CC1=CC(C)=NO1 CS-0005667 [0,0,0,0,0,0|2,0,0]=2 8 B7R1.2 CC1=CC(N)=NN1 CS-D0822 [0,0,0,0,0,0|3,0,0]=3 9 B7R1.2 CC1=CC(N)=NO1 CS-W022416 [0,0,0,0,0,0|2,0,0]=2 10 B7R1.2 CC1=CC(O)=NO1 CS-W011330 [0,0,0,0,0,0|1,0,1]=2 11 B7R1.2 CC1=CC=C(C)N1 CS-W011343 [0,0,0,0,0,0|3,0,1]=4 12 B7R1.2 CC1=CC=C(C)S1 CS-0022382 [0,0,0,0,0,0|3,0,1]=4 13 B7R1.2 CC1=CC=C(Cl)S1 CS-0194560 [0,0,0,0,0,0|3,0,1]=4 14 B7R1.2 CC1=CC=C(N)S1 CS-0665024 [0,0,0,0,0,0|3,0,1]=4 15 B7R1.2 CC1=CN(C)N=C1 CS-W021288 [0,0,0,0,0,0|3,0,1]=4 16 B7R1.2 CC1=CN(C)N=N1 CS-0061354 [0,0,0,0,0,0|4,0,0]=4 17 B7R1.2 CC1=CN=C(Br)S1 CS-W007316 [0,0,0,0,0,0|4,0,0]=4 18 B7R1.2 CC1=CN=C(C)N1 CS-W013729 [0,0,0,0,0,0|3,0,1]=4 19 B7R1.2 CC1=CN=C(C)S1 CS-W002408 [0,0,0,0,0,0|3,0,1]=4 20 B7R1.2 CC1=CN=C(Cl)S1 CS-D0062 [0,0,0,0,0,0|4,0,0]=4 21 B7R1.2 CC1=CN=C(I)N1 CS-0097972 [0,0,0,0,0,0|4,0,0]=4 22 B7R1.2 CC1=CN=C(N)S1 CS-WAA0093 [0,0,0,0,0,0|4,0,0]=4 23 B7R1.2 CC1=CNC(=O)N1 CS-0188032 [0,0,0,0,0,0|3,0,0]=3 24 B7R1.2 CC1=CNC(=S)N1 CS-0063879 [0,0,0,0,0,0|3,1,0]=4 25 B7R1.2 CC1=CNC(Br)=N1 CS-W020387 [0,0,0,0,0,0|4,0,0]=4 26 B7R1.2 CC1=CNC(C)=C1 CS-W011342 [0,0,0,0,0,0|2,0,1]=3 27 B7R1.2 CC1=COC(N)=N1 CS-0053949 [0,0,0,0,0,0|3,0,1]=4 28 B7R1.2 CC1=CSC(=N)N1 CS-0238235 [0,0,0,0,0,0|4,0,0]=4 29 B7R1.2 CC1=CSC(Br)=N1 CS-D0855 [0,0,0,0,0,0|4,0,0]=4 30 B7R1.2 CC1=CSC(C)=C1 CS-0152847 [0,0,0,0,0,0|1,1,1]=3 31 B7R1.2 CC1=CSC(C)=N1 CS-W013648 [0,0,0,0,0,0|2,1,1]=4 32 B7R1.2 CC1=CSC(Cl)=N1 CS-0054447 [0,0,0,0,0,0|4,0,0]=4 33 B7R1.2 CC1=CSC(N)=N1 CS-W009130 [0,0,0,0,0,0|4,0,0]=4 34 B7R1.2 CC1=NC(Br)=CS1 CS-0044498 [0,0,0,0,0,0|2,1,1]=4 35 B7R1.2 CC1=NC(Br)=NO1 CS-0085087 [0,0,0,0,0,0|3,0,0]=3 36 B7R1.2 CC1=NC(I)=CN1 CS-D0992 [0,0,0,0,0,0|3,0,1]=4 37 B7R1.2 CC1=NC(N)=NO1 CS-W022407 [0,0,0,0,0,0|3,0,0]=3 38 B7R1.2 CC1=NC(O)=NN1 CS-0240285 [0,0,0,0,0,0|3,0,1]=4 39 B7R1.2 CC1=NC(S)=NN1 CS-0152795 [0,0,0,0,0,0|3,1,0]=4 40 B7R1.2 CC1=NC=C(Br)N1 CS-0018955 [0,0,0,0,0,0|3,0,1]=4 41 B7R1.2 CC1=NC=C(Br)S1 CS-0103613 [0,0,0,0,0,0|3,0,1]=4 42 B7R1.2 CC1=NC=C(I)S1 CS-0528714 [0,0,0,0,0,0|3,0,1]=4 43 B7R1.2 CC1=NC=C(N)S1 CS-W006129 [0,0,0,0,0,0|3,0,1]=4 44 B7R1.2 CC1=NN=C(Br)O1 CS-0079631 [0,0,0,0,0,0|4,0,0]=4 45 B7R1.2 CC1=NN=C(Br)S1 CS-0119465 [0,0,0,0,0,0|4,0,0]=4 46 B7R1.2 CC1=NN=C(C)C1 CS-0134611 [0,0,0,0,0,0|3,0,1]=4 47 B7R1.2 CC1=NN=C(Cl)S1 CS-0071966 [0,0,0,0,0,0|4,0,0]=4 48 B7R1.2 CC1=NN=C(N)N1 CS-W019573 [0,0,0,0,0,0|4,0,0]=4 49 B7R1.2 CC1=NN=C(N)S1 CS-0076370 [0,0,0,0,0,0|4,0,0]=4 50 B7R1.2 CC1=NN=C(O)C1 CS-W013724 [0,0,0,0,0,0|2,0,2]=4 51 B7R1.2 CC1=NNC(=N)O1 CS-W005125 [0,0,0,0,0,0|4,0,0]=4 52 B7R1.2 CC1=NNC(=O)O1 CS-W019158 [0,0,0,0,0,0|3,0,0]=3 53 B7R1.2 CC1=NNC(=S)O1 CS-0061408 [0,0,0,0,0,0|3,1,0]=4 54 B7R1.2 CC1=NNC(=S)S1 CS-W013406 [0,0,0,0,0,0|3,1,0]=4 55 B7R1.2 CC1=NNC(C)=N1 CS-W011336 [0,0,0,0,0,0|4,0,0]=4 56 B7R1.2 CC1=NNC(Cl)=C1 CS-0050525 [0,0,0,0,0,0|3,0,0]=3 57 B7R1.2 CC1=NOC(=O)O1 CS-0460220 [0,0,0,0,0,0|3,0,0]=3 58 B7R1.2 CC1=NOC(N)=C1 CS-M0240 [0,0,0,0,0,0|3,0,0]=3 59 B7R1.2 CC1=NSC(Br)=C1 CS-0136608 [0,0,0,0,0,0|3,0,0]=3 60 B7R1.2 CC1=NSC(Br)=N1 CS-0028376 [0,0,0,0,0,0|4,0,0]=4 61 B7R1.2 CC1=NSC(Cl)=N1 CS-W022352 [0,0,0,0,0,0|4,0,0]=4 62 B7R1.2 CC1=NSC(I)=C1 CS-0308922 [0,0,0,0,0,0|3,0,0]=3 63 B7R1.2 CC1=NSC(N)=C1 CS-M1245 [0,0,0,0,0,0|3,0,0]=3 64 B7R1.2 CC1=NSC(N)=N1 CS-0038032 [0,0,0,0,0,0|4,0,0]=4 65 B7R1.2 CC1C=CC(=O)O1 CS-0152699 [0,0,0,0,0,0|2,0,2]=4 66 B7R1.2 CC1CCC(=O)O1 CS-W016654 [0,0,0,0,0,0|2,0,1]=3 67 B7R1.2 CC1CNC(=O)C1 CS-0040667 [0,0,0,0,0,0|2,0,2]=4 68 B7R1.2 CC1COC(=O)N1 CS-0181060 [0,0,0,0,0,0|3,0,1]=4 69 B7R1.2 CN1C=C(Br)C=N1 CS-W002913 [0,0,0,0,0,0|3,0,1]=4 70 B7R1.2 CN1C=C(Br)N=N1 CS-W009000 [0,0,0,0,0,0|4,0,0]=4 71 B7R1.2 CN1C=C(Cl)C=N1 CS-W003493 [0,0,0,0,0,0|3,0,1]=4 72 B7R1.2 CN1C=C(I)C=N1 CS-W004080 [0,0,0,0,0,0|3,0,1]=4 73 B7R1.2 CN1C=C(N)C=N1 CS-0151184 [0,0,0,0,0,0|3,0,1]=4 74 B7R1.2 CN1C=C(N)C=N1 CS-W007391 [0,0,0,0,0,0|3,0,1]=4 75 B7R1.2 CN1C=C(N)N=N1 CS-0099489 [0,0,0,0,0,0|4,0,0]=4 76 B7R1.2 CN1C=C(O)C=N1 CS-0044173 [0,0,0,0,0,0|2,0,2]=4 77 B7R1.2 CN1C=CC(N)=C1 CS-0196553 [0,0,0,0,0,0|3,0,1]=4 78 B7R1.2 CN1C=NC(Br)=C1 CS-0139796 [0,0,0,0,0,0|4,0,0]=4 79 B7R1.2 CN1C=NC(Br)=C1 CS-W004044 [0,0,0,0,0,0|4,0,0]=4 80 B7R1.2 CN1C=NC(I)=C1 CS-W003987 [0,0,0,0,0,0|4,0,0]=4 81 B7R1.2 CN1CCC(=O)C1 CS-0172438 [0,0,0,0,0,0|2,0,1]=3 82 B7R1.2 C[C@@H]1CCC(=O)N1 CS-0046592 [0,0,0,0,0,0|2,0,1]=3 83 B7R1.2 C[C@@H]1CNC(=O)O1 CS-0416189 [0,0,0,0,0,0|3,0,1]=4 84 B7R1.2 C[C@@H]1COC(=O)N1 CS-0158229 [0,0,0,0,0,0|3,0,1]=4 85 B7R1.2 C[C@@H]1COC(=O)O1 CS-0015926 [0,0,0,0,0,0|3,0,1]=4 86 B7R1.2 C[C@H]1CC(=O)CN1 CS-0567258 [0,0,0,0,0,0|1,0,2]=3 87 B7R1.2 C[C@H]1CCC(=O)N1 CS-0046594 [0,0,0,0,0,0|2,0,1]=3 88 B7R1.2 C[C@H]1CNC(=O)C1 CS-0055121 [0,0,0,0,0,0|2,0,2]=4 89 B7R1.2 C[C@H]1COC(=O)N1 CS-0059840 [0,0,0,0,0,0|3,0,1]=4 90 B7R1.2 C[C@H]1COC(=O)O1 CS-W011314 [0,0,0,0,0,0|3,0,1]=4 91 B7R1.2 ClC1=CC(Br)=CS1 CS-0157326 [0,0,0,0,0,0|2,1,1]=4 92 B7R1.2 N=C1N=C(N)CS1 CS-0206268 [0,0,0,0,0,0|3,1,0]=4 93 B7R1.2 NC1=CC(=O)NN1 CS-W005676 [0,0,0,0,0,0|3,0,0]=3 94 B7R1.2 NC1=CC(Br)=NN1 CS-B0747 [0,0,0,0,0,0|4,0,0]=4 95 B7R1.2 NC1=CC(N)=NN1 CS-0060291 [0,0,0,0,0,0|4,0,0]=4 96 B7R1.2 NC1=NC(=O)CO1 CS-0005538 [0,0,0,0,0,0|2,0,0]=2 97 B7R1.2 NC1=NC(=O)CS1 CS-W005207 [0,0,0,0,0,0|2,1,0]=3 98 B7R1.2 NC1=NNC(=O)N1 CS-0018771 [0,0,0,0,0,0|4,0,0]=4 99 B7R1.2 NC1=NNC(Cl)=C1 CS-0050541 [0,0,0,0,0,0|4,0,0]=4 100 B7R1.2 NC1=NNC(O)=C1 CS-0166925 [0,0,0,0,0,0|3,0,1]=4 101 B7R1.2 N[C@@H]1COC(=O)C1 CS-W009169 [0,0,0,0,0,0|2,0,2]=4 102 B7R1.2 N[C@H]1COC(=O)C1 CS-B1346 [0,0,0,0,0,0|2,0,2]=4 103 B7R1.2 O=C1C=C(Cl)SN1 CS-B1826 [0,0,0,0,0,0|2,1,0]=3 104 B7R1.2 O=C1C=C(O)CN1 CS-0311627 [0,0,0,0,0,0|2,0,1]=3 105 B7R1.2 O=C1C=CC(=O)N1 CS-W007324 [0,0,0,0,0,0|3,0,1]=4 106 B7R1.2 O=C1CCC(=O)C1 CS-D0815 [0,0,0,0,0,0|2,0,1]=3 107 B7R1.2 O=C1CCC(=O)N1 CS-0019112 [0,0,0,0,0,0|3,0,0]=3 108 B7R1.2 O=C1CCC(=O)O1 CS-0011581 [0,0,0,0,0,0|3,0,0]=3 109 B7R1.2 O=C1CCC(O)C1 CS-0051334 [0,0,0,0,0,0|2,0,2]=4 110 B7R1.2 O=C1CNC(=O)C1 CS-0048723 [0,0,0,0,0,0|2,0,1]=3 111 B7R1.2 O=C1CNC(=O)N1 CS-W011328 [0,0,0,0,0,0|3,0,0]=3 112 B7R1.2 O=C1CNC(=O)O1 CS-W011320 [0,0,0,0,0,0|3,0,0]=3 113 B7R1.2 O=C1CNC(=S)N1 CS-W013612 [0,0,0,0,0,0|3,0,0]=3 114 B7R1.2 O=C1COC(=O)C1 CS-W016655 [0,0,0,0,0,0|1,0,1]=2 115 B7R1.2 O=C1COC(=O)N1 CS-0005564 [0,0,0,0,0,0|2,0,0]=2 116 B7R1.2 O=C1CSC(=O)N1 CS-W019917 [0,0,0,0,0,0|2,1,0]=3 117 B7R1.2 O=C1CSC(=S)N1 CS-W011081 [0,0,0,0,0,0|2,1,0]=3 118 B7R1.2 O=C1NNC(=S)N1 CS-0567330 [0,0,0,0,0,0|4,0,0]=4 119 B7R1.2 O=C1OCC(Cl)O1 CS-0046028 [0,0,0,0,0,0|3,0,1]=4 120 B7R1.2 O=C1OCC(F)O1 CS-0155468 [0,0,0,0,0,0|3,0,1]=4 121 B7R1.2 [C@@H]1(O)COC(=O)C1 CS-W013702 [0,0,0,0,0,0|1,0,3]=4 122 B6R1.2 BrC1=CC=NS1 CS-0157906 [1,0,0,0,0,0|2,1,0]=4 123 B6R1.2 BrC1=CN=CO1 CS-0469695 [1,0,0,0,0,0|2,0,1]=4 124 B6R1.2 BrC1=CON=C1 CS-W018197 [1,0,0,0,0,0|2,0,1]=4 125 B6R1.2 BrC1=CSC=C1 CS-W009226 [1,0,0,0,0,0|1,1,1]=4 126 B6R1.2 BrC1=NC=CO1 CS-0084599 [1,0,0,0,0,0|2,0,1]=4 127 B6R1.2 BrC1=NNC=C1 CS-D0856 [1,0,0,0,0,0|3,0,0]=4 128 B6R1.2 BrC1=NOC=C1 CS-0039114 [1,0,0,0,0,0|2,0,0]=3 129 B6R1.2 CC1=CC=CN1 CS-W011360 [1,0,0,0,0,0|1,0,1]=3 130 B6R1.2 CC1=CC=CS1 CS-W011331 [1,0,0,0,0,0|0,1,1]=3 131 B6R1.2 CC1=CC=NO1 CS-0085310 [1,0,0,0,0,0|1,0,0]=2 132 B6R1.2 CC1=CN=CN1 CS-D1459 [1,0,0,0,0,0|2,0,1]=4 133 B6R1.2 CC1=CN=CS1 CS-W007489 [1,0,0,0,0,0|1,1,1]=4 134 B6R1.2 CC1=CN=NN1 CS-W004917 [1,0,0,0,0,0|3,0,0]=4 135 B6R1.2 CC1=CNN=C1 CS-4303 [1,0,0,0,0,0|3,0,0]=4 136 B6R1.2 CC1=COC=N1 CS-0028372 [1,0,0,0,0,0|2,0,1]=4 137 B6R1.2 CC1=CSC=N1 CS-W001245 [1,0,0,0,0,0|2,0,1]=4 138 B6R1.2 CC1=NC=CN1 CS-W019983 [1,0,0,0,0,0|2,0,1]=4 139 B6R1.2 CC1=NC=CO1 CS-0312016 [1,0,0,0,0,0|1,0,1]=3 140 B6R1.2 CC1=NC=CS1 CS-W002260 [1,0,0,0,0,0|1,1,1]=4 141 B6R1.2 CC1=NN=CN1 CS-M1664 [1,0,0,0,0,0|3,0,0]=4 142 B6R1.2 CC1=NN=CO1 CS-W018813 [1,0,0,0,0,0|2,0,1]=4 143 B6R1.2 CC1=NNC=C1 CS-B0947 [1,0,0,0,0,0|2,0,0]=3 144 B6R1.2 CC1=NON=C1 CS-0063186 [1,0,0,0,0,0|3,0,0]=4 145 B6R1.2 CN1C=CC=C1 CS-W001239 [1,0,0,0,0,0|2,0,1]=4 146 B6R1.2 CN1C=CN=C1 CS-0188308 [1,0,0,0,0,0|3,0,0]=4 147 B6R1.2 CN1C=CN=N1 CS-W018672 [1,0,0,0,0,0|3,0,0]=4 148 B6R1.2 CN1C=C[NH+]=C1 CS-0196814 [1,0,0,0,0,0|3,0,0]=4 149 B6R1.2 ClC1=CC=CS1 CS-W011216 [1,0,0,0,0,0|1,1,1]=4 150 B6R1.2 ClC1=CSC=C1 CS-W013592 [1,0,0,0,0,0|1,1,1]=4 151 B6R1.2 ClC1=NNC=C1 CS-W021893 [1,0,0,0,0,0|3,0,0]=4 152 B6R1.2 FC1=NNC=C1 CS-0035415 [1,0,0,0,0,0|3,0,0]=4 153 B6R1.2 IC1=CC=CS1 CS-W007589 [1,0,0,0,0,0|1,1,1]=4 154 B6R1.2 IC1=CON=C1 CS-W005185 [1,0,0,0,0,0|2,0,1]=4 155 B6R1.2 IC1=CSC=C1 CS-W004948 [1,0,0,0,0,0|1,1,1]=4 156 B6R1.2 IC1=NC=CO1 CS-0051894 [1,0,0,0,0,0|2,0,1]=4 157 B6R1.2 IC1=NNC=C1 CS-D0881 [1,0,0,0,0,0|3,0,0]=4 158 B6R1.2 NC1=CC=NN1 CS-0032811 [1,0,0,0,0,0|3,0,0]=4 159 B6R1.2 NC1=CC=NO1 CS-W005361 [1,0,0,0,0,0|2,0,0]=3 160 B6R1.2 NC1=CC=NS1 CS-0160228 [1,0,0,0,0,0|2,1,0]=4 161 B6R1.2 NC1=CON=C1 CS-0018833 [1,0,0,0,0,0|2,0,1]=4 162 B6R1.2 NC1=CON=C1 CS-W004673 [1,0,0,0,0,0|2,0,1]=4 163 B6R1.2 NC1=CSC=C1 CS-0167153 [1,0,0,0,0,0|1,1,1]=4 164 B6R1.2 NC1=CSC=C1 CS-D0258 [1,0,0,0,0,0|1,1,1]=4 165 B6R1.2 NC1=CSC=C1 CS-D0330 [1,0,0,0,0,0|1,1,1]=4 166 B6R1.2 NC1=NC=CO1 CS-D0841 [1,0,0,0,0,0|2,0,1]=4 167 B6R1.2 NC1=NNC=C1 CS-D1141 [1,0,0,0,0,0|3,0,0]=4 168 B6R1.2 NC1=NOC=C1 CS-W007329 [1,0,0,0,0,0|2,0,0]=3 169 B6R1.2 O=C1C=CCC1 CS-W011359 [1,0,0,0,0,0|1,0,0]=2 170 B6R1.2 O=C1C=CCO1 CS-W008270 [1,0,0,0,0,0|1,0,0]=2 171 B6R1.2 O=C1C=CCS1 CS-0348812 [1,0,0,0,0,0|1,1,0]=3 172 B6R1.2 O=C1C=CNN1 CS-W004179 [1,0,0,0,0,0|2,0,0]=3 173 B6R1.2 O=C1C=CSN1 CS-0005502 [1,0,0,0,0,0|1,1,0]=3 174 B6R1.2 O=C1CC=NN1 CS-W004408 [1,0,0,0,0,0|2,0,1]=4 175 B6R1.2 O=C1CCCN1 CS-0197058 [1,0,0,0,0,0|2,0,1]=4 176 B6R1.2 O=C1CCNC1 CS-W005267 [1,0,0,0,0,0|1,0,2]=4 177 B6R1.2 O=C1CCNN1 CS-W001151 [1,0,0,0,0,0|3,0,0]=4 178 B6R1.2 O=C1CCOC1 CS-D1574 [1,0,0,0,0,0|0,0,2]=3 179 B6R1.2 O=C1CCSC1 CS-W011310 [1,0,0,0,0,0|0,1,2]=4 180 B6R1.2 O=C1N=CNN1 CS-0044804 [1,0,0,0,0,0|3,0,0]=4 181 B6R1.2 O=C1NC=CN1 CS-W002186 [1,0,0,0,0,0|3,0,0]=4 182 B6R1.2 O=C1NCCO1 CS-W007548 [1,0,0,0,0,0|2,0,1]=4 183 B6R1.2 O=C1OC=CO1 CS-W013752 [1,0,0,0,0,0|2,0,1]=4 184 B6R1.2 OC1=NNC=C1 CS-0044191 [1,0,0,0,0,0|2,0,1]=4 185 B6R1.2 OC1=NOC=C1 CS-0047268 [1,0,0,0,0,0|1,0,1]=3 186 B6R1.2 OC1C=CCC1 CS-0451001 [1,0,0,0,0,0|1,0,2]=4 187 B6R1.2 S=C1NCCO1 CS-0097403 [1,0,0,0,0,0|2,0,1]=4 188 B6R1.2 SC1=CC=CS1 CS-W016596 [1,0,0,0,0,0|1,1,1]=4 189 B8R1.1 BrCC1=CC(Br)=CS1 CS-0616674 [0,1,0,0,0,0|1,1,1]=4 190 B8R1.1 CC1=CC(C#N)=NN1 CS-W006080 [0,1,0,0,0,0|3,0,0]=4 191 B8R1.1 CC1=CC(C#N)=NO1 CS-W016632 [0,1,0,0,0,0|2,0,0]=3 192 B8R1.1 CC1=CC(C=O)=CS1 CS-0054199 [0,1,0,0,0,0|0,1,1]=3 193 B8R1.1 CC1=CC(C=O)=NN1 CS-W005538 [0,1,0,0,0,0|2,0,0]=3 194 B8R1.1 CC1=CC(C=O)=NO1 CS-0085287 [0,1,0,0,0,0|1,0,0]=2 195 B8R1.1 CC1=CC(CCl)=NO1 CS-0037640 [0,1,0,0,0,0|2,0,0]=3 196 B8R1.1 CC1=CC(CN)=NO1 CS-0036286 [0,1,0,0,0,0|2,0,0]=3 197 B8R1.1 CC1=CC(CO)=NN1 CS-0037641 [0,1,0,0,0,0|2,0,1]=4 198 B8R1.1 CC1=CC=C(C=O)N1 CS-0038064 [0,1,0,0,0,0|2,0,1]=4 199 B8R1.1 CC1=CC=C(C=O)O1 CS-W020103 [0,1,0,0,0,0|2,0,1]=4 200 B8R1.1 CC1=CC=C(C=O)S1 CS-W018539 [0,1,0,0,0,0|2,0,1]=4 201 B8R1.1 CC1=CSC(C=O)=C1 CS-0135491 [0,1,0,0,0,0|2,0,0]=3 202 B8R1.1 CC1=CSC(C=O)=N1 CS-W011145 [0,1,0,0,0,0|3,0,0]=4 203 B8R1.1 CC1=CSC(CN)=C1 CS-0626196 [0,1,0,0,0,0|1,1,1]=4 204 B8R1.1 CC1=NC(C=O)=CO1 CS-W008275 [0,1,0,0,0,0|1,0,1]=3 205 B8R1.1 CC1=NC(C=O)=CS1 CS-W003295 [0,1,0,0,0,0|1,1,1]=4 206 B8R1.1 CC1=NC(CBr)=NO1 CS-0085090 [0,1,0,0,0,0|3,0,0]=4 207 B8R1.1 CC1=NC(CCl)=NO1 CS-0075702 [0,1,0,0,0,0|3,0,0]=4 208 B8R1.1 CC1=NC(CN)=NO1 CS-0036626 [0,1,0,0,0,0|3,0,0]=4 209 B8R1.1 CC1=NC(CO)=CO1 CS-0061381 [0,1,0,0,0,0|1,0,2]=4 210 B8R1.1 CC1=NC=C(C=O)N1 CS-0186659 [0,1,0,0,0,0|2,0,1]=4 211 B8R1.1 CC1=NC=C(C=O)O1 CS-W021727 [0,1,0,0,0,0|2,0,1]=4 212 B8R1.1 CC1=NC=C(C=O)S1 CS-W019857 [0,1,0,0,0,0|2,0,1]=4 213 B8R1.1 CC1=NOC(CCl)=C1 CS-0085295 [0,1,0,0,0,0|2,0,0]=3 214 B8R1.1 CC1=NOC(CCl)=N1 CS-0075701 [0,1,0,0,0,0|3,0,0]=4 215 B8R1.1 CC1=NOC(CN)=C1 CS-0085262 [0,1,0,0,0,0|2,0,0]=3 216 B8R1.1 CC1=NOC(CN)=C1 CS-W004628 [0,1,0,0,0,0|2,0,0]=3 217 B8R1.1 CC1=NOC(CO)=C1 CS-0047000 [0,1,0,0,0,0|2,0,0]=3 218 B8R1.1 CC1=NOC(CO)=N1 CS-0085088 [0,1,0,0,0,0|3,0,0]=4 219 B8R1.1 CCC1=CC(=N)NN1 CS-W016620 [0,1,0,0,0,0|3,0,0]=4 220 B8R1.1 CCC1=NC(Br)=NO1 CS-0259269 [0,1,0,0,0,0|3,0,0]=4 221 B8R1.1 CCC1=NC(N)=NO1 CS-0308504 [0,1,0,0,0,0|3,0,0]=4 222 B8R1.1 CCC1=NOC(N)=C1 CS-0036176 [0,1,0,0,0,0|3,0,0]=4 223 B8R1.1 CCC1CCC(=O)N1 CS-0046651 [0,1,0,0,0,0|2,0,1]=4 224 B8R1.1 CN1C=C(C=O)C=N1 CS-W019871 [0,1,0,0,0,0|2,0,1]=4 225 B8R1.1 CN1C=C(C=O)N=N1 CS-0106610 [0,1,0,0,0,0|3,0,0]=4 226 B8R1.1 CN1C=CC(C=O)=C1 CS-0116718 [0,1,0,0,0,0|2,0,1]=4 227 B8R1.1 CN1C=NC(C=O)=C1 CS-0052470 [0,1,0,0,0,0|3,0,0]=4 228 B8R1.1 COC1=CC(=O)CC1 CS-0040746 [0,1,0,0,0,0|1,0,0]=2 229 B8R1.1 COC1=CC(=O)NC1 CS-W005299 [0,1,0,0,0,0|2,0,0]=3 230 B8R1.1 COC1=CC(N)=NN1 CS-0050450 [0,1,0,0,0,0|3,0,0]=4 231 B8R1.1 ClCC1=CC(Br)=NO1 CS-0085279 [0,1,0,0,0,0|2,0,0]=3 232 B8R1.1 NC1=CC(CO)=NN1 CS-W021110 [0,1,0,0,0,0|3,0,0]=4 233 B8R1.1 NCC1=CC(Br)=CO1 CS-0527193 [0,1,0,0,0,0|1,0,1]=3 234 B8R1.1 NCC1=CC(Br)=CS1 CS-0041883 [0,1,0,0,0,0|1,1,1]=4 235 B8R1.1 NCC1=CC(Br)=CS1 CS-0053205 [0,1,0,0,0,0|1,1,1]=4 236 B8R1.1 NCC1=CC(Br)=NO1 CS-0268561 [0,1,0,0,0,0|2,0,0]=3 237 B8R1.1 NCC1=CC(Br)=NO1 CS-W021086 [0,1,0,0,0,0|2,0,0]=3 238 B8R1.1 NCC1CCC(=O)N1 CS-0029734 [0,1,0,0,0,0|2,0,1]=4 239 B8R1.1 NCC1CCC(=O)N1 CS-0075962 [0,1,0,0,0,0|2,0,1]=4 240 B8R1.1 NC[C@@H]1CCC(=O)N1 CS-0144990 [0,1,0,0,0,0|2,0,1]=4 241 B8R1.1 NC[C@H]1CCC(=O)N1 CS-0105178 [0,1,0,0,0,0|2,0,1]=4 242 B8R1.1 O=C1CCC(CO)C1 CS-0315717 [0,1,0,0,0,0|1,0,2]=4 243 B8R1.1 O=C1CCC(CO)N1 CS-W001608 [0,1,0,0,0,0|2,0,1]=4 244 B8R1.1 O=C1CCC(CO)O1 CS-0113560 [0,1,0,0,0,0|2,0,1]=4 245 B8R1.1 O=C1CC[C@@H](CBr)N1 CS-B0460 [0,1,0,0,0,0|2,0,1]=4 246 B8R1.1 O=C1CC[C@@H](CO)N1 CS-B0366 [0,1,0,0,0,0|2,0,1]=4 247 B8R1.1 O=C1CC[C@H](CO)N1 CS-W001840 [0,1,0,0,0,0|2,0,1]=4 248 B8R1.1 O=C1N=C(CCl)NN1 CS-W018467 [0,1,0,0,0,0|3,0,0]=4 249 B8R1.1 O=CC1=CC(Br)=CN1 CS-W020675 [0,1,0,0,0,0|3,0,0]=4 250 B8R1.1 O=CC1=CC(Br)=CS1 CS-W005050 [0,1,0,0,0,0|3,0,0]=4 251 B8R1.1 O=CC1=CC(Br)=NO1 CS-W021887 [0,1,0,0,0,0|2,0,1]=4 252 B8R1.1 O=CC1=CC(Cl)=CS1 CS-0053818 [0,1,0,0,0,0|3,0,0]=4 253 B8R1.1 O=CC1=CC(I)=CN1 CS-B1239 [0,1,0,0,0,0|3,0,0]=4 254 B8R1.1 O=CC1=CC(I)=CS1 CS-0041659 [0,1,0,0,0,0|3,0,0]=4 255 B8R1.1 O=CC1=CC(O)=CS1 CS-0517218 [0,1,0,0,0,0|3,0,0]=4 256 B8R1.1 O=CC1=CNC(Br)=C1 CS-0060104 [0,1,0,0,0,0|2,0,1]=4 257 B8R1.1 O=CC1=CSC(Br)=C1 CS-0050554 [0,1,0,0,0,0|1,1,1]=4 258 B8R1.1 OCC1=CC(Br)=CS1 CS-0042536 [0,1,0,0,0,0|1,1,1]=4 259 B8R1.1 OCC1=CC(Br)=NO1 CS-0031362 [0,1,0,0,0,0|2,0,0]=3 260 B8R1.18 C=C1CC(=O)OC1=O CS-0073152 [0,1,0,0,0,0|3,0,0]=4 261 B8R1.18 CC1=C(Br)SC(Br)=C1 CS-W001197 [0,1,0,0,0,0|3,0,0]=4 262 B8R1.18 CC1=C(C)NC(=O)N1 CS-0309054 [0,1,0,0,0,0|3,0,0]=4 263 B8R1.18 CC1=C(C)OC(=O)O1 CS-W013644 [0,1,0,0,0,0|3,0,0]=4 264 B8R1.18 CC1=C(Cl)SC(Cl)=C1 CS-W001225 [0,1,0,0,0,0|3,0,0]=4 265 B8R1.18 CC1=CC(=O)C(C)O1 CS-W011269 [0,1,0,0,0,0|0,0,0]=1 266 B8R1.18 CC1=CC(=O)NN1C CS-0217939 [0,1,0,0,0,0|2,0,0]=3 267 B8R1.18 CC1=CC(=O)OC1=O CS-0007668 [0,1,0,0,0,0|2,0,0]=3 268 B8R1.18 CC1=CC(Br)=C(C)S1 CS-0197145 [0,1,0,0,0,0|1,1,1]=4 269 B8R1.18 CC1=CC(Br)=NN1C CS-W005278 [0,1,0,0,0,0|3,0,0]=4 270 B8R1.18 CC1=CC(C)=NN1C CS-W013666 [0,1,0,0,0,0|3,0,0]=4 271 B8R1.18 CC1=CC(Cl)=NN1C CS-0101169 [0,1,0,0,0,0|3,0,0]=4 272 B8R1.18 CC1=CC(I)=C(C)S1 CS-0356208 [0,1,0,0,0,0|1,1,1]=4 273 B8R1.18 CC1=CC(N)=NN1C CS-0037942 [0,1,0,0,0,0|3,0,0]=4 274 B8R1.18 CC1=CN(C)C(=O)N1 CS-0119775 [0,1,0,0,0,0|3,0,0]=4 275 B8R1.18 CC1=NC(C)=C(C)O1 CS-0153589 [0,1,0,0,0,0|2,0,1]=4 276 B8R1.18 CC1=NN(C)C(Br)=C1 CS-0050658 [0,1,0,0,0,0|3,0,0]=4 277 B8R1.18 CC1=NN(C)C(N)=C1 CS-W007940 [0,1,0,0,0,0|3,0,0]=4 278 B8R1.18 CC1=NN(C)C(O)=C1 CS-W019386 [0,1,0,0,0,0|2,0,1]=4 279 B8R1.18 CC1CC(=O)OC1=O CS-Z0015 [0,1,0,0,0,0|3,0,0]=4 280 B8R1.18 CC1NC(=O)NC1=O CS-0084851 [0,1,0,0,0,0|3,0,0]=4 281 B8R1.18 CN1CC(=O)NC1=O CS-0062340 [0,1,0,0,0,0|3,0,0]=4 282 B8R1.18 CN1CC(=O)OC1=O CS-0109855 [0,1,0,0,0,0|3,0,0]=4 283 B8R1.18 CN1NC(N)=CC1=O CS-0903171 [0,1,0,0,0,0|3,0,0]=4 284 B8R1.18 CN1SC(Cl)=CC1=O CS-W018768 [0,1,0,0,0,0|2,1,0]=4 285 B8R1.18 NN1CC(=O)NC1=O CS-0015259 [0,1,0,0,0,0|3,0,0]=4 286 B8R1.18 O=C1C=C(Br)C(=O)O1 CS-W021883 [0,1,0,0,0,0|2,0,1]=4 287 B8R1.50 CC1=C(Br)C(=N)NN1 CS-W010179 [0,1,0,0,0,0|3,0,0]=4 288 B8R1.50 CC1=C(Br)C(=O)NN1 CS-0137217 [0,1,0,0,0,0|2,0,0]=3 289 B8R1.50 CC1=C(Br)C(N)=NO1 CS-W000691 [0,1,0,0,0,0|2,0,0]=3 290 B8R1.50 CC1=C(Br)C(O)=NO1 CS-0315332 [0,1,0,0,0,0|1,0,1]=3 291 B8R1.50 CC1=C(C)C(=O)N=N1 CS-W011280 [0,1,0,0,0,0|2,0,0]=3 292 B8R1.50 CC1=C(C)C(I)=NN1 CS-0373254 [0,1,0,0,0,0|3,0,0]=4 293 B8R1.50 CC1=C(C)C(N)=NN1 CS-W022051 [0,1,0,0,0,0|3,0,0]=4 294 B8R1.50 CC1=C(C)C(N)=NO1 CS-D0788 [0,1,0,0,0,0|2,0,0]=3 295 B8R1.50 CC1=C(Cl)C(N)=NO1 CS-0453960 [0,1,0,0,0,0|2,0,0]=3 296 B8R1.50 CC1=C(O)C(=O)CO1 CS-W013643 [0,1,0,0,0,0|0,0,0]=1 297 B8R1.50 CC1=C(O)COC1=O CS-0085459 [0,1,0,0,0,0|1,0,1]=3 298 B8R1.50 CC1=NNC(C)=C1Br CS-W017470 [0,1,0,0,0,0|3,0,0]=4 299 B8R1.50 CC1=NNC(C)=C1Cl CS-0153639 [0,1,0,0,0,0|3,0,0]=4 300 B8R1.50 CC1=NNC(C)=C1I CS-W002184 [0,1,0,0,0,0|3,0,0]=4 301 B8R1.50 CC1=NNC(C)=C1N CS-0453349 [0,1,0,0,0,0|3,0,0]=4 302 B8R1.50 CC1=NNC(C)=C1O CS-0061152 [0,1,0,0,0,0|3,0,0]=4 303 B8R1.50 CC1=NNC(N)=C1Br CS-0035978 [0,1,0,0,0,0|3,0,0]=4 304 B8R1.50 CC1=NOC(C)=C1Br CS-W017425 [0,1,0,0,0,0|2,0,0]=3 305 B8R1.50 CC1=NOC(C)=C1I CS-W020086 [0,1,0,0,0,0|2,0,0]=3 306 B8R1.50 CC1=NOC(C)=C1N CS-W008258 [0,1,0,0,0,0|2,0,0]=3 307 B8R1.50 CC1=NOC(N)=C1Br CS-0437401 [0,1,0,0,0,0|3,0,0]=4 308 B8R1.50 CC1=NOC(N)=C1C CS-0085283 [0,1,0,0,0,0|3,0,0]=4 309 B8R1.50 CC1=NOC(N)=C1Cl CS-M0026 [0,1,0,0,0,0|3,0,0]=4 310 B8R1.50 CC1=NSC(Br)=C1Br CS-0160921 [0,1,0,0,0,0|3,0,0]=4 311 B8R1.50 CC1=NSC(N)=C1Br CS-0089683 [0,1,0,0,0,0|3,0,0]=4 312 B8R1.50 CC1C(=O)CCC1=O CS-W013660 [0,1,0,0,0,0|2,0,1]=4 313 B8R1.50 CC1CCC(=O)C1=O CS-W011271 [0,1,0,0,0,0|1,0,1]=3 314 B8R1.50 CN1C(=O)CCC1=O CS-0151201 [0,1,0,0,0,0|3,0,0]=4 315 B8R1.50 CN1C(=O)CNC1=O CS-0038030 [0,1,0,0,0,0|3,0,0]=4 316 B8R1.50 CN1C(=O)CNC1=S CS-0069106 [0,1,0,0,0,0|3,0,0]=4 317 B8R1.50 CN1C(=O)CSC1=O CS-W021969 [0,1,0,0,0,0|2,1,0]=4 318 B8R1.50 CN1CCC(=O)C1=O CS-0139148 [0,1,0,0,0,0|2,0,0]=3 319 B8R1.50 O=C1CCC(=O)C1Br CS-0036203 [0,1,0,0,0,0|2,0,1]=4 320 B8R1.50 O=C1CCC(=O)N1Br CS-W008781 [0,1,0,0,0,0|3,0,0]=4 321 B8R1.50 O=C1CCC(=O)N1Cl CS-W020129 [0,1,0,0,0,0|3,0,0]=4 322 B8R1.50 O=C1CCC(=O)N1I CS-W008878 [0,1,0,0,0,0|3,0,0]=4 323 B8R1.50 O=C1CCC(=O)N1O CS-W008598 [0,1,0,0,0,0|3,0,0]=4 324 B8R1.50 O=C1COC(=O)C1Cl CS-0155475 [0,1,0,0,0,0|1,0,1]=3 325 B8R1.50 O=C1OCC(O)=C1Br CS-0093761 [0,1,0,0,0,0|1,0,1]=3 326 B8R1.50 O=C1SSC(Cl)=C1Cl CS-W016865 [0,1,0,0,0,0|2,1,0]=4 327 B8R1.51 CC1(C)CCC(=O)C1 CS-W018408 [0,1,0,0,0,0|1,0,2]=4 328 B8R1.51 CC1(C)CCC(=O)N1 CS-W022267 [0,1,0,0,0,0|2,0,1]=4 329 B8R1.51 CC1(C)CCC(=O)O1 CS-0061120 [0,1,0,0,0,0|2,0,1]=4 330 B8R1.51 CC1=NC(C)(C)CO1 CS-0204303 [0,1,0,0,0,0|2,0,1]=4 331 B6R0.1 C=CCC(=O)OC CS-0158011 [0,0,1,0,0,0|2,0,1]=4 332 B6R0.1 CCC(=O)COC CS-0213932 [0,0,1,0,0,0|2,0,1]=4 333 B6R0.1 CCNC(=O)CBr CS-0239382 [0,0,1,0,0,0|2,0,1]=4 334 B6R0.1 CCOC(=O)CN CS-W020007 [0,0,1,0,0,0|2,0,1]=4 335 B6R0.1 CCOC(=O)CO CS-W019892 [0,0,1,0,0,0|1,0,1]=3 336 B6R0.1 COC(=O)\C=C/I CS-0150951 [0,0,1,0,0,0|2,0,0]=3 337 B6R0.1 COC(=O)\C=C\I CS-0042162 [0,0,1,0,0,0|2,0,0]=3 338 B6R0.2 CC(=O)CC(N)=O CS-0134202 [0,0,1,0,0,0|1,0,2]=4 339 B6R0.2 CC(=O)CN(C)C CS-0204530 [0,0,1,0,0,0|2,0,1]=4 340 B6R0.2 CC(=O)C[C@@H](C)N CS-0434876 [0,0,1,0,0,0|1,0,2]=4 341 B6R0.2 CC(=O)NC(C)C CS-M3536 [0,0,1,0,0,0|2,0,1]=4 342 B6R0.2 CC(=O)OC(C)Br CS-0135277 [0,0,1,0,0,0|2,0,1]=4 343 B6R0.2 CC(=O)[CH-]C(C)=O CS-0196895 [0,0,1,0,0,0|0,0,2]=3 344 B6R0.2 CC(=O)\C=C(\C)[O-] CS-0035182 [0,0,1,0,0,0|0,0,1]=2 345 B6R0.2 CC(=O)\C=C(\C)[O-] CS-0085298 [0,0,1,0,0,0|0,0,1]=2 346 B6R0.2 CC(=O)\C=C(\C)[O-] CS-0085476 [0,0,1,0,0,0|0,0,1]=2 347 B6R0.2 CC(=O)\C=C(\C)[O-] CS-0105902 [0,0,1,0,0,0|0,0,1]=2 348 B6R0.2 CC(C)=CB(O)O CS-0046252 [0,0,1,0,0,0|3,0,0]=4 349 B6R0.2 CC(C)=CC(=O)O CS-W011327 [0,0,1,0,0,0|2,0,0]=3 350 B6R0.2 CC(O)CC(=O)O CS-0062335 [0,0,1,0,0,0|1,0,2]=4 351 B6R0.2 CC(O)CC(N)=O CS-0435186 [0,0,1,0,0,0|1,0,2]=4 352 B6R0.2 C[C@H](O)CC(=O)O CS-0031375 [0,0,1,0,0,0|1,0,2]=4 353 B6R0.2 C\C(Cl)=C/C(=O)O CS-0834363 [0,0,1,0,0,0|2,0,0]=3 354 B6R0.2 C\C(Cl)=C\C(=O)O CS-0834361 [0,0,1,0,0,0|2,0,0]=3 355 B6R0.2 C\C(O)=N\C(=N)N CS-W007823 [0,0,1,0,0,0|3,0,0]=4 356 B6R0.2 NC(=O)CC(=O)O CS-0149950 [0,0,1,0,0,0|2,0,1]=4 357 B6R0.2 O=C(O)[Ca]C(=O)O CS-0160132 [0,0,1,0,0,0|3,0,0]=4 358 B6R0.2 [C@H](C)(O)CC(=O)O CS-0044101 [0,0,1,0,0,0|1,0,2]=4 359 B6R0.4 C#CCOC(C)=O CS-0158541 [0,0,1,0,0,0|2,0,1]=4 360 B6R0.4 C=CCCC(=O)O CS-W009138 [0,0,1,0,0,0|2,0,1]=4 361 B6R0.4 CC(=O)OCCBr CS-W007598 [0,0,1,0,0,0|2,0,1]=4 362 B6R0.4 CC(=O)OCCN CS-0657679 [0,0,1,0,0,0|2,0,1]=4 363 B6R0.4 CC(=O)OCCO CS-0154995 [0,0,1,0,0,0|1,0,2]=4 364 B6R0.4 CCNCC(=O)O CS-0201673 [0,0,1,0,0,0|2,0,1]=4 365 B6R0.4 CCOCC(=O)O CS-0071579 [0,0,1,0,0,0|1,0,1]=3 366 B6R0.4 CCSCC(=O)O CS-0197336 [0,0,1,0,0,0|1,1,1]=4 367 B6R0.4 CNCCC(=O)O CS-0112815 [0,0,1,0,0,0|3,0,0]=4 368 B6R0.4 CNCCC(=O)O CS-0169148 [0,0,1,0,0,0|3,0,0]=4 369 B6R0.4 CNCCC(N)=O CS-0214971 [0,0,1,0,0,0|3,0,0]=4 370 B6R0.4 COCCC(=O)O CS-W009112 [0,0,1,0,0,0|3,0,0]=4 371 B6R0.4 CSCCC(=O)O CS-6296 [0,0,1,0,0,0|3,0,0]=4 372 B6R0.4 CSCCC(C)=O CS-0206726 [0,0,1,0,0,0|2,0,1]=4 373 B6R0.4 C\C=C\CC(=O)O CS-0129103 [0,0,1,0,0,0|2,0,0]=3 374 B6R0.4 O=CNCC(=O)O CS-0102520 [0,0,1,0,0,0|3,0,0]=4 375 B8R2.18 O=C1CC2CC2C1 CS-0036289 [0,0,0,1,0,0|1,0,2]=4 376 B6R1.4 CC1OCC1=O CS-0051833 [0,0,0,0,1,0|0,0,1]=2 377 B6R1.4 O=C1CCC1Br CS-0147268 [0,0,0,0,1,0|2,0,1]=4 378 B6R1.5 CN1CC(=O)C1 CS-0052428 [0,0,0,0,1,0|1,0,1]=3 379 B6R1.5 NC1CC(=O)C1 CS-W005321 [0,0,0,0,1,0|1,0,2]=4 380 B6R1.5 O=C1CC(O)C1 CS-0051337 [0,0,0,0,1,0|1,0,2]=4 381 B8R1.3 CC1=CC=C(I)C=C1 CS-W009210 [0,0,0,0,0,1|2,0,1]=4 382 B8R1.3 CC1=CC=C(N)C=N1 CS-W009257 [0,0,0,0,0,1|2,0,1]=4 383 B8R1.3 CC1=CN=C(Br)C=C1 CS-W007353 [0,0,0,0,0,1|2,0,1]=4 384 B8R1.3 CC1=CN=C(Br)C=N1 CS-0051991 [0,0,0,0,0,1|2,0,1]=4 385 B8R1.3 CC1=CN=C(Br)N=C1 CS-W005182 [0,0,0,0,0,1|3,0,0]=4 386 B8R1.3 CC1=CN=C(C)C=N1 CS-W019957 [0,0,0,0,0,1|2,0,1]=4 387 B8R1.3 CC1=CN=C(C)N=C1 CS-0045574 [0,0,0,0,0,1|2,0,1]=4 388 B8R1.3 CC1=CN=C(Cl)C=C1 CS-W013478 [0,0,0,0,0,1|2,0,1]=4 389 B8R1.3 CC1=CN=C(Cl)C=N1 CS-W009243 [0,0,0,0,0,1|2,0,1]=4 390 B8R1.3 CC1=CN=C(Cl)N=C1 CS-D0889 [0,0,0,0,0,1|3,0,0]=4 391 B8R1.3 CC1=CN=C(F)C=C1 CS-W019967 [0,0,0,0,0,1|2,0,1]=4 392 B8R1.3 CC1=CN=C(I)C=C1 CS-0130423 [0,0,0,0,0,1|2,0,1]=4 393 B8R1.3 CC1=CN=C(I)C=N1 CS-0059962 [0,0,0,0,0,1|2,0,1]=4 394 B8R1.3 CC1=CN=C(N)C=C1 CS-D0808 [0,0,0,0,0,1|2,0,1]=4 395 B8R1.3 CC1=CN=C(N)C=N1 CS-D0791 [0,0,0,0,0,1|2,0,1]=4 396 B8R1.3 CC1=CN=C(N)N=C1 CS-W009238 [0,0,0,0,0,1|3,0,0]=4 397 B8R1.3 CC1=CN=C(O)C=C1 CS-0101601 [0,0,0,0,0,1|1,0,2]=4 398 B8R1.3 CC1=CNC(=O)C=C1 CS-W011282 [0,0,0,0,0,1|1,0,1]=3 399 B8R1.3 CC1=CNC(=O)C=N1 CS-W008795 [0,0,0,0,0,1|1,0,1]=3 400 B8R1.3 CC1=CNC(=O)N=C1 CS-0021071 [0,0,0,0,0,1|2,0,0]=3 401 B8R1.3 CC1=CNC(=S)C=C1 CS-0152866 [0,0,0,0,0,1|1,1,1]=4 402 B8R1.3 CC1=NC=C(Br)C=C1 CS-W019938 [0,0,0,0,0,1|2,0,1]=4 403 B8R1.3 CC1=NC=C(Br)C=N1 CS-W004845 [0,0,0,0,0,1|2,0,1]=4 404 B8R1.3 CC1=NC=C(Cl)C=C1 CS-W005312 [0,0,0,0,0,1|2,0,1]=4 405 B8R1.3 CC1=NC=C(Cl)C=N1 CS-D1091 [0,0,0,0,0,1|2,0,1]=4 406 B8R1.3 CC1=NC=C(F)C=C1 CS-W006280 [0,0,0,0,0,1|2,0,1]=4 407 B8R1.3 CC1=NC=C(F)C=N1 CS-0152783 [0,0,0,0,0,1|2,0,1]=4 408 B8R1.3 CC1=NC=C(I)C=C1 CS-W022395 [0,0,0,0,0,1|2,0,1]=4 409 B8R1.3 CC1=NC=C(N)C=N1 CS-W018646 [0,0,0,0,0,1|2,0,1]=4 410 B8R1.3 CC1=NC=C(O)C=C1 CS-W004681 [0,0,0,0,0,1|1,0,2]=4 411 B8R1.3 CC1=NC=C(O)C=N1 CS-W005972 [0,0,0,0,0,1|1,0,2]=4 412 B8R1.3 CC1=NN=C(Br)C=C1 CS-W019649 [0,0,0,0,0,1|3,0,0]=4 413 B8R1.3 CC1=NN=C(Cl)C=C1 CS-W001297 [0,0,0,0,0,1|3,0,0]=4 414 B8R1.3 CC1=NN=C(I)C=C1 CS-0051306 [0,0,0,0,0,1|3,0,0]=4 415 B8R1.3 CC1=NN=C(N)C=C1 CS-W002791 [0,0,0,0,0,1|3,0,0]=4 416 B8R1.3 CC1=NNC(=O)C=C1 CS-W002182 [0,0,0,0,0,1|2,0,0]=3 417 B8R1.3 CC1=NNC(=O)CC1 CS-W011268 [0,0,0,0,0,1|2,0,0]=3 418 B8R1.3 CC1CCC(=O)CC1 CS-W013656 [0,0,0,0,0,1|1,0,2]=4 419 B8R1.3 CC1CCC(=O)NC1 CS-0009361 [0,0,0,0,0,1|1,0,2]=4 420 B8R1.3 CC1CNC(=O)CO1 CS-0444103 [0,0,0,0,0,1|0,0,2]=3 421 B8R1.3 CN1CCC(=O)CC1 CS-W009198 [0,0,0,0,0,1|2,0,1]=4 422 B8R1.3 C[C@@H]1CNC(=O)CO1 CS-0478990 [0,0,0,0,0,1|0,0,2]=3 423 B8R1.3 C[C@H]1CNC(=O)CO1 CS-0478989 [0,0,0,0,0,1|0,0,2]=3 424 B8R1.3 NC1=CNC(=O)C=C1 CS-W009167 [0,0,0,0,0,1|2,0,1]=4 425 B8R1.3 NC1=NNC(=O)C=C1 CS-W018951 [0,0,0,0,0,1|3,0,0]=4 426 B8R1.3 O=C1C=CC(Br)=CN1 CS-D0987 [0,0,0,0,0,1|2,0,1]=4 427 B8R1.3 O=C1C=CC(Cl)=CN1 CS-W009538 [0,0,0,0,0,1|2,0,1]=4 428 B8R1.3 O=C1C=CC(F)=CN1 CS-W009189 [0,0,0,0,0,1|2,0,1]=4 429 B8R1.3 O=C1C=CC(O)=CN1 CS-W006127 [0,0,0,0,0,1|2,0,1]=4 430 B8R1.3 O=C1C=CC(O)OC1 CS-0063151 [0,0,0,0,0,1|1,0,1]=3 431 B8R1.3 O=C1C=NC(Br)=CN1 CS-W003277 [0,0,0,0,0,1|2,0,1]=4 432 B8R1.3 O=C1C=NC(Cl)=CN1 CS-W019738 [0,0,0,0,0,1|2,0,1]=4 433 B8R1.3 O=C1CCC(=O)CC1 CS-W011270 [0,0,0,0,0,1|2,0,1]=4 434 B8R1.3 O=C1CNC(=O)CN1 CS-0046695 [0,0,0,0,0,1|2,0,1]=4 435 B8R1.3 O=C1COC(=O)CO1 CS-0046191 [0,0,0,0,0,1|1,0,1]=3 436 B8R1.3 O=C1N=CC(Br)=CN1 CS-D1143 [0,0,0,0,0,1|3,0,0]=4 437 B8R1.3 O=C1N=CC(Cl)=CN1 CS-W022366 [0,0,0,0,0,1|3,0,0]=4 438 B8R1.3 O=C1N=CC(F)=CN1 CS-W008541 [0,0,0,0,0,1|3,0,0]=4 439 B8R1.3 O=C1N=CC(I)=CN1 CS-W022398 [0,0,0,0,0,1|3,0,0]=4 440 B8R1.4 CC1=CC(=O)CCC1 CS-0128362 [0,0,0,0,0,1|1,0,0]=2 441 B8R1.4 CC1=CC(=O)NC=N1 CS-W001866 [0,0,0,0,0,1|1,0,1]=3 442 B8R1.4 CC1=CC(=O)NN=C1 CS-W000548 [0,0,0,0,0,1|2,0,0]=3 443 B8R1.4 CC1=CC(Br)=CC=N1 CS-W007447 [0,0,0,0,0,1|2,0,1]=4 444 B8R1.4 CC1=CC(Br)=CN=C1 CS-W002809 [0,0,0,0,0,1|2,0,1]=4 445 B8R1.4 CC1=CC(Br)=NC=C1 CS-W007579 [0,0,0,0,0,1|2,0,1]=4 446 B8R1.4 CC1=CC(Br)=NC=N1 CS-W018676 [0,0,0,0,0,1|2,0,1]=4 447 B8R1.4 CC1=CC(C)=NC=N1 CS-W001988 [0,0,0,0,0,1|2,0,1]=4 448 B8R1.4 CC1=CC(C)=O[AlH4]O1 CS-0106050 [0,0,0,0,0,1|2,0,0]=3 449 B8R1.4 CC1=CC(C)=O[Ca]O1 CS-0106443 [0,0,0,0,0,1|2,0,0]=3 450 B8R1.4 CC1=CC(C)=O[Co]O1 CS-0015107 [0,0,0,0,0,1|2,0,0]=3 451 B8R1.4 CC1=CC(C)=O[Co]O1 CS-0130375 [0,0,0,0,0,1|2,0,0]=3 452 B8R1.4 CC1=CC(C)=O[Cr]O1 CS-0106479 [0,0,0,0,0,1|2,0,0]=3 453 B8R1.4 CC1=CC(C)=O[Fe]O1 CS-0111174 [0,0,0,0,0,1|2,0,0]=3 454 B8R1.4 CC1=CC(C)=O[Ir]O1 CS-W020773 [0,0,0,0,0,1|2,0,0]=3 455 B8R1.4 CC1=CC(C)=O[Mg]O1 CS-0106061 [0,0,0,0,0,1|2,0,0]=3 456 B8R1.4 CC1=CC(C)=O[Mn]O1 CS-0106058 [0,0,0,0,0,1|2,0,0]=3 457 B8R1.4 CC1=CC(C)=O[Mn]O1 CS-0106120 [0,0,0,0,0,1|2,0,0]=3 458 B8R1.4 CC1=CC(C)=O[Pt]O1 CS-0085574 [0,0,0,0,0,1|2,0,0]=3 459 B8R1.4 CC1=CC(C)=O[Rh]O1 CS-0081884 [0,0,0,0,0,1|2,0,0]=3 460 B8R1.4 CC1=CC(C)=O[Ru]O1 CS-0035190 [0,0,0,0,0,1|2,0,0]=3 461 B8R1.4 CC1=CC(C)=O[Zn]O1 CS-0111728 [0,0,0,0,0,1|2,0,0]=3 462 B8R1.4 CC1=CC(C)=O[Zr]O1 CS-0085625 [0,0,0,0,0,1|2,0,0]=3 463 B8R1.4 CC1=CC(Cl)=CC=N1 CS-W007979 [0,0,0,0,0,1|2,0,1]=4 464 B8R1.4 CC1=CC(Cl)=CN=C1 CS-0153176 [0,0,0,0,0,1|2,0,1]=4 465 B8R1.4 CC1=CC(Cl)=NC=N1 CS-W002939 [0,0,0,0,0,1|2,0,1]=4 466 B8R1.4 CC1=CC(F)=NC=C1 CS-W011273 [0,0,0,0,0,1|2,0,1]=4 467 B8R1.4 CC1=CC(I)=CC=C1 CS-W014806 [0,0,0,0,0,1|2,0,1]=4 468 B8R1.4 CC1=CC(N)=CC=C1 CS-0153216 [0,0,0,0,0,1|2,0,1]=4 469 B8R1.4 CC1=CC(N)=CN=C1 CS-W003151 [0,0,0,0,0,1|2,0,1]=4 470 B8R1.4 CC1=CC(N)=NC=C1 CS-W003969 [0,0,0,0,0,1|2,0,1]=4 471 B8R1.4 CC1=CC(N)=NC=N1 CS-D1591 [0,0,0,0,0,1|2,0,1]=4 472 B8R1.4 CC1=CC(N)=NN=C1 CS-0005499 [0,0,0,0,0,1|3,0,0]=4 473 B8R1.4 CC1=CC(O)=CN=C1 CS-W011284 [0,0,0,0,0,1|1,0,2]=4 474 B8R1.4 CC1=CC(O)=NC=C1 CS-W017769 [0,0,0,0,0,1|1,0,2]=4 475 B8R1.4 CC1=CC(O)=NC=N1 CS-0047569 [0,0,0,0,0,1|1,0,2]=4 476 B8R1.4 CC1=CN=CC(=O)N1 CS-W003559 [0,0,0,0,0,1|2,0,1]=4 477 B8R1.4 CC1=CN=CC(F)=C1 CS-W021924 [0,0,0,0,0,1|2,0,1]=4 478 B8R1.4 CC1=CN=NC(Cl)=C1 CS-0051407 [0,0,0,0,0,1|3,0,0]=4 479 B8R1.4 CC1=NC=CC(=O)N1 CS-0059206 [0,0,0,0,0,1|2,0,1]=4 480 B8R1.4 CC1=NC=CC(I)=C1 CS-W018720 [0,0,0,0,0,1|2,0,1]=4 481 B8R1.4 CC1=NC=CC(N)=C1 CS-D0974 [0,0,0,0,0,1|2,0,1]=4 482 B8R1.4 CC1=NC=CC(O)=C1 CS-W018581 [0,0,0,0,0,1|1,0,2]=4 483 B8R1.4 CC1CC(=O)CCN1 CS-0012636 [0,0,0,0,0,1|1,0,2]=4 484 B8R1.4 CC1CC(=O)CCO1 CS-W004274 [0,0,0,0,0,1|0,0,2]=3 485 B8R1.4 CC1CCCC(=O)N1 CS-0009358 [0,0,0,0,0,1|2,0,1]=4 486 B8R1.4 CC1CCCC(=O)O1 CS-0015920 [0,0,0,0,0,1|2,0,1]=4 487 B8R1.4 CC1COCC(=O)N1 CS-0146686 [0,0,0,0,0,1|1,0,1]=3 488 B8R1.4 CN1CCNC(=O)C1 CS-W003814 [0,0,0,0,0,1|2,0,1]=4 489 B8R1.4 CN1CCOC(=O)C1 CS-W001837 [0,0,0,0,0,1|2,0,1]=4 490 B8R1.4 C[C@@H]1CC(=O)CCN1 CS-0053488 [0,0,0,0,0,1|1,0,2]=4 491 B8R1.4 C[C@@H]1CCCC(=O)N1 CS-0312406 [0,0,0,0,0,1|2,0,1]=4 492 B8R1.4 C[C@@H]1COCC(=O)N1 CS-0059832 [0,0,0,0,0,1|1,0,1]=3 493 B8R1.4 C[C@H]1CC(=O)CCN1 CS-0053435 [0,0,0,0,0,1|1,0,2]=4 494 B8R1.4 C[C@H]1COCC(=O)N1 CS-W023097 [0,0,0,0,0,1|1,0,1]=3 495 B8R1.4 NC1=CC(=O)CCC1 CS-0032855 [0,0,0,0,0,1|2,0,0]=3 496 B8R1.4 NC1=CC(=O)N=CN1 CS-D1494 [0,0,0,0,0,1|2,0,1]=4 497 B8R1.4 NC1=CC(=O)NC=C1 CS-0058663 [0,0,0,0,0,1|2,0,1]=4 498 B8R1.4 O=C1C=C(Br)NC=N1 CS-W020677 [0,0,0,0,0,1|2,0,1]=4 499 B8R1.4 O=C1C=C(Cl)C=NN1 CS-W003825 [0,0,0,0,0,1|3,0,0]=4 500 B8R1.4 O=C1C=C(Cl)CCC1 CS-0180958 [0,0,0,0,0,1|2,0,0]=3 501 B8R1.4 O=C1C=C(Cl)NC=N1 CS-W002541 [0,0,0,0,0,1|2,0,1]=4 502 B8R1.4 O=C1C=C(F)C=CN1 CS-W018838 [0,0,0,0,0,1|2,0,1]=4 503 B8R1.4 O=C1C=C(I)C=CN1 CS-W003941 [0,0,0,0,0,1|2,0,1]=4 504 B8R1.4 O=C1C=C(I)C=NN1 CS-W019630 [0,0,0,0,0,1|3,0,0]=4 505 B8R1.4 O=C1C=C(O)C=CN1 CS-W020577 [0,0,0,0,0,1|2,0,1]=4 506 B8R1.4 O=C1C=C(S)N=CN1 CS-0143651 [0,0,0,0,0,1|2,0,1]=4 507 B8R1.4 O=C1CCCC(=O)C1 CS-W007466 [0,0,0,0,0,1|2,0,1]=4 508 B8R1.4 O=C1CCCC(=O)N1 CS-W023103 [0,0,0,0,0,1|3,0,0]=4 509 B8R1.4 O=C1CCNC(=O)N1 CS-W013642 [0,0,0,0,0,1|3,0,0]=4 510 B8R1.4 O=C1CNCC(=O)N1 CS-W003770 [0,0,0,0,0,1|3,0,0]=4 511 B8R1.4 O=C1COCC(=O)O1 CS-0108764 [0,0,0,0,0,1|2,0,0]=3 512 B5R0.1 C=CCC(=O)O CS-0069849 [1,0,1,0,0,0|0,0,2]=4 513 B5R0.1 CC#CC(=O)O CS-W007936 [1,0,1,0,0,0|0,0,2]=4 514 B5R0.1 CC(=O)NCO CS-0061075 [1,0,1,0,0,0|1,0,1]=4 515 B5R0.1 CC(=O)OCBr CS-0090812 [1,0,1,0,0,0|2,0,0]=4 516 B5R0.1 CC(=O)OCCl CS-0139458 [1,0,1,0,0,0|2,0,0]=4 517 B5R0.1 CC(C)=CCCl CS-0204351 [1,0,1,0,0,0|1,0,1]=4 518 B5R0.1 CC(C)=CCN CS-0236946 [1,0,1,0,0,0|1,0,1]=4 519 B5R0.1 CC(C)=CCO CS-W013751 [1,0,1,0,0,0|0,0,2]=4 520 B5R0.1 CCCC(=O)O CS-0977378 [1,0,1,0,0,0|0,0,2]=4 521 B5R0.1 CCCC(N)=O CS-0130522 [1,0,1,0,0,0|1,0,1]=4 522 B5R0.1 CCOC(C)=N CS-W008601 [1,0,1,0,0,0|1,0,1]=4 523 B5R0.1 CCOC(N)=O CS-4731 [1,0,1,0,0,0|1,0,1]=4 524 B5R0.1 CN(C)NC=O CS-M2144 [1,0,1,0,0,0|2,0,0]=4 525 B5R0.1 CNCC(=O)O CS-W013507 [1,0,1,0,0,0|1,0,1]=4 526 B5R0.1 CNCC(=O)O CS-W018511 [1,0,1,0,0,0|1,0,1]=4 527 B5R0.1 CNCC(N)=O CS-W011178 [1,0,1,0,0,0|2,0,0]=4 528 B5R0.1 COCC(=N)N CS-W003564 [1,0,1,0,0,0|2,0,0]=4 529 B5R0.1 COCC(=O)O CS-W020123 [1,0,1,0,0,0|1,0,0]=3 530 B5R0.1 CSCC(=O)O CS-0015159 [1,0,1,0,0,0|1,0,1]=4 531 B5R0.1 CSCC(N)=O CS-0150088 [1,0,1,0,0,0|1,1,0]=4 532 B5R0.1 C\C=C\B(O)O CS-0086306 [1,0,1,0,0,0|1,0,1]=4 533 B5R0.1 C\C=C\C(=O)O CS-0017976 [1,0,1,0,0,0|0,0,0]=2 534 B5R0.1 C\C=C\C(C)=O CS-0022376 [1,0,1,0,0,0|0,0,0]=2 535 B5R0.1 C\C=C\C(C)=O CS-0513711 [1,0,1,0,0,0|0,0,0]=2 536 B5R0.1 NOCC(=O)O CS-8158 [1,0,1,0,0,0|2,0,0]=4 537 B5R0.1 O=C(O)\C=C/Cl CS-0196837 [1,0,1,0,0,0|1,0,0]=3 538 B5R0.1 O=C(O)\C=C/I CS-0668652 [1,0,1,0,0,0|1,0,0]=3 539 B5R0.1 O=C(O)\C=C\Br CS-0063842 [1,0,1,0,0,0|1,0,0]=3 540 B5R0.1 O=C(O)\C=C\I CS-0092724 [1,0,1,0,0,0|1,0,0]=3 541 B5R0.2 C=CCCNC CS-0197692 [1,0,1,0,0,0|2,0,0]=4 542 B5R0.2 CC\C=C\C=O CS-0173472 [1,0,1,0,0,0|1,0,0]=3 543 B5R0.2 C\C=C\CCO CS-0162245 [1,0,1,0,0,0|0,0,1]=3 544 B5R0.2 OC\C=C\CO CS-0130476 [1,0,1,0,0,0|1,0,1]=4 545 B5R0.2 OC\C=C\CO CS-B0322 [1,0,1,0,0,0|1,0,1]=4 546 B5R0.3 C=CC(=O)NC CS-0134564 [1,0,1,0,0,0|2,0,0]=4 547 B5R0.3 C=CC(=O)O[K] CS-0196459 [1,0,1,0,0,0|2,0,0]=4 548 B5R0.3 C=CC(O)CO CS-W016675 [1,0,1,0,0,0|0,0,2]=4 549 B5R0.3 C=C[C@@H](N)CO CS-0089925 [1,0,1,0,0,0|1,0,1]=4 550 B5R0.3 C=C[C@H](N)CO CS-0088065 [1,0,1,0,0,0|1,0,1]=4 551 B5R0.3 CCC(=O)CBr CS-0131119 [1,0,1,0,0,0|1,0,1]=4 552 B5R0.3 CCC(=O)CN CS-W005374 [1,0,1,0,0,0|1,0,1]=4 553 B5R0.3 CCC(=O)CO CS-W005327 [1,0,1,0,0,0|0,0,1]=3 554 B5R0.3 CCC(=O)NC CS-0179730 [1,0,1,0,0,0|2,0,0]=4 555 B5R0.3 CNC(=O)CBr CS-0023001 [1,0,1,0,0,0|2,0,0]=4 556 B5R0.3 CNC(=O)CCl CS-W007769 [1,0,1,0,0,0|2,0,0]=4 557 B5R0.3 CNC(=O)CI CS-0244983 [1,0,1,0,0,0|2,0,0]=4 558 B5R0.3 CNC(=O)CN CS-0008246 [1,0,1,0,0,0|2,0,0]=4 559 B5R0.3 CNC(=O)CN CS-0130384 [1,0,1,0,0,0|2,0,0]=4 560 B5R0.3 COC(=O)CI CS-0235696 [1,0,1,0,0,0|2,0,0]=4 561 B5R0.3 COC(=O)CN CS-W018508 [1,0,1,0,0,0|2,0,0]=4 562 B5R0.3 COC(=O)CO CS-W004068 [1,0,1,0,0,0|1,0,0]=3 563 B5R0.3 CON(C)C=O CS-0128675 [1,0,1,0,0,0|1,0,0]=3 564 B5R0.3 NNC(=O)CO CS-W006527 [1,0,1,0,0,0|2,0,0]=4 565 B5R0.3 O=C(CO)CO CS-W019614 [1,0,1,0,0,0|1,0,1]=4 566 B5R1.1 C1=CCNC1 CS-W016634 [2,0,0,0,0,0|1,0,1]=4 567 B5R1.1 C1=CNC=C1 CS-0655066 [2,0,0,0,0,0|1,0,1]=4 568 B5R1.1 C1=CNN=C1 CS-W008829 [2,0,0,0,0,0|2,0,0]=4 569 B5R1.1 C1=COC=N1 CS-0020144 [2,0,0,0,0,0|1,0,1]=4 570 B5R1.1 C1=CON=C1 CS-W011365 [2,0,0,0,0,0|1,0,0]=3 571 B7R0.2 CCC(=O)CC(C)=O CS-W023089 [0,1,1,0,0,0|1,0,1]=4 572 B7R0.2 COC(=O)CC(=O)O CS-W007829 [0,1,1,0,0,0|1,0,1]=4 573 B7R0.2 COC(=O)CC(N)=O CS-W022821 [0,1,1,0,0,0|1,0,1]=4 574 B7R0.2 COC(=O)\C=C(\C)N CS-W016602 [0,1,1,0,0,0|2,0,0]=4 575 B7R0.3 C=C\C=C\C(=O)OC CS-0207613 [0,1,1,0,0,0|2,0,0]=4 576 B7R0.3 C=C\C=C\C(=O)OC CS-0626198 [0,1,1,0,0,0|2,0,0]=4 577 B7R0.3 COC(=O)CNC=O CS-0187476 [0,1,1,0,0,0|1,0,1]=4 578 B7R0.3 COC(=O)\C=C\CBr CS-0146524 [0,1,1,0,0,0|2,0,0]=4 579 B7R0.3 COC(=O)\C=C\CBr CS-W008761 [0,1,1,0,0,0|2,0,0]=4 580 B7R0.3 COC(=O)\C=C\CN CS-0187948 [0,1,1,0,0,0|2,0,0]=4 581 B7R0.3 CO\C=C\C(=O)OC CS-0076974 [0,1,1,0,0,0|1,0,1]=4 582 B7R0.3 CO\C=C\C(=O)OC CS-W007972 [0,1,1,0,0,0|1,0,1]=4 583 B7R0.5 [C@H](C)(O)C(=O)OCC CS-W013602 [0,1,1,0,0,0|1,0,1]=4 584 B7R0.7 CCOC(=O)CCO CS-0139545 [0,1,1,0,0,0|1,0,1]=4 585 B7R0.7 CCOC(=O)COC CS-0008463 [0,1,1,0,0,0|1,0,1]=4 586 B7R0.7 COCC(=O)COC CS-W007070 [0,1,1,0,0,0|1,0,1]=4 587 B7R0.10 C=C(CO)C(=O)OC CS-W019505 [0,1,1,0,0,0|2,0,0]=4 588 B7R0.10 CCC(=O)C(=O)CC CS-W013639 [0,1,1,0,0,0|1,0,1]=4 589 B7R0.10 COC(=O)C(=O)CBr CS-W008779 [0,1,1,0,0,0|2,0,0]=4 590 B7R0.16 CC(=O)C(C)C(C)=O CS-0095844 [0,1,1,0,0,0|0,0,2]=4 591 B7R0.16 CC(=O)C(N)C(C)=O CS-0216785 [0,1,1,0,0,0|0,0,2]=4 592 B7R0.4 CCCOCC(=O)O CS-0152048 [0,1,1,0,0,0|1,0,1]=4 593 B7R0.4 CC\C=C\CC(=O)O CS-W011248 [0,1,1,0,0,0|2,0,0]=4 594 B7R0.4 C\C=C\CCC(=O)O CS-0232064 [0,1,1,0,0,0|2,0,0]=4 595 B7R0.4 NC(=O)COCCCl CS-0149936 [0,1,1,0,0,0|1,0,1]=4 596 B7R0.4 NCCOCC(=O)O CS-0115741 [0,1,1,0,0,0|1,0,1]=4 597 B7R0.4 NCCOCC(=O)O CS-0115743 [0,1,1,0,0,0|1,0,1]=4 598 B7R0.4 NCCOCC(=O)O CS-0127947 [0,1,1,0,0,0|1,0,1]=4 599 B7R0.4 O=C(O)COCCBr CS-0105329 [0,1,1,0,0,0|1,0,1]=4 600 B7R0.4 O=C(O)COCCCl CS-W006556 [0,1,1,0,0,0|1,0,1]=4 601 B7R0.4 O=C(O)COCCS CS-0115755 [0,1,1,0,0,0|1,0,1]=4 602 B7R0.4 O=C(O)COCCS CS-0115757 [0,1,1,0,0,0|1,0,1]=4 603 B7R0.4 O=C([O-])COCCO CS-0158309 [0,1,1,0,0,0|1,0,1]=4 604 B7R0.6 C=C(C)CCC(=O)O CS-0040142 [0,1,1,0,0,0|1,0,0]=3 605 B7R0.6 C=C(C)CCC(C)=O CS-0225159 [0,1,1,0,0,0|1,0,0]=3 606 B7R0.6 CC(=O)CCC(=O)O CS-0015813 [0,1,1,0,0,0|2,0,0]=4 607 B7R0.6 CC(=O)CCC(C)=O CS-D1203 [0,1,1,0,0,0|1,0,1]=4 608 B7R0.6 CC(=O)CNC(C)=O CS-0154040 [0,1,1,0,0,0|1,0,1]=4 609 B7R0.6 CC(=O)NCC(=O)O CS-W020121 [0,1,1,0,0,0|2,0,0]=4 610 B7R0.6 CC(=O)OCC(=O)O CS-0155005 [0,1,1,0,0,0|1,0,0]=3 611 B7R0.6 CC(=O)OCC(N)=S CS-0248602 [0,1,1,0,0,0|1,1,0]=4 612 B7R0.6 CC(=O)SCC(=O)O CS-0083252 [0,1,1,0,0,0|1,1,0]=4 613 B7R0.6 CC(=S)NCC(=O)O CS-0504830 [0,1,1,0,0,0|2,0,0]=4 614 B7R0.6 CC(C)OCC(=O)O CS-0005425 [0,1,1,0,0,0|0,0,2]=4 615 B7R1.1 CCC1=CC=CN1 CS-0198957 [1,1,0,0,0,0|1,0,1]=4 616 B7R1.1 CCC1=CC=CO1 CS-W013731 [1,1,0,0,0,0|0,0,1]=3 617 B7R1.1 COC1=CC=CS1 CS-W001141 [1,1,0,0,0,0|0,1,1]=4 618 B7R1.1 COC1=CSC=C1 CS-W008023 [1,1,0,0,0,0|2,0,0]=4 619 B7R1.1 COC1=NNC=C1 CS-0150000 [1,1,0,0,0,0|2,0,0]=4 620 B7R1.1 CSC1=CC=CS1 CS-W013432 [1,1,0,0,0,0|0,1,1]=4 621 B7R1.1 ClCC1=NC=CO1 CS-D0011 [1,1,0,0,0,0|1,0,1]=4 622 B7R1.1 ClCC1=NNC=C1 CS-0437008 [1,1,0,0,0,0|2,0,0]=4 623 B7R1.1 ClCC1=NOC=C1 CS-0085312 [1,1,0,0,0,0|2,0,0]=4 624 B7R1.1 N#CC1=CC=CO1 CS-W016667 [1,1,0,0,0,0|0,0,2]=4 625 B7R1.1 N#CC1=CC=NO1 CS-W000598 [1,1,0,0,0,0|1,0,1]=4 626 B7R1.1 NCC1=CC=CN1 CS-W003910 [1,1,0,0,0,0|1,0,1]=4 627 B7R1.1 NCC1=CC=CS1 CS-W007649 [1,1,0,0,0,0|0,1,1]=4 628 B7R1.1 NCC1=CC=NO1 CS-0067551 [1,1,0,0,0,0|1,0,0]=3 629 B7R1.1 NCC1=COC=C1 CS-0155527 [1,1,0,0,0,0|1,0,1]=4 630 B7R1.1 NCC1=CSC=C1 CS-0063211 [1,1,0,0,0,0|2,0,0]=4 631 B7R1.1 NCC1=CSC=C1 CS-W002779 [1,1,0,0,0,0|2,0,0]=4 632 B7R1.1 NCC1=NC=CO1 CS-0127896 [1,1,0,0,0,0|1,0,1]=4 633 B7R1.1 NCC1=NNC=C1 CS-W019647 [1,1,0,0,0,0|2,0,0]=4 634 B7R1.1 O=CC1=CC=CN1 CS-D0925 [1,1,0,0,0,0|2,0,0]=4 635 B7R1.1 O=CC1=CC=CS1 CS-W013657 [1,1,0,0,0,0|2,0,0]=4 636 B7R1.1 O=CC1=CC=NS1 CS-0171021 [1,1,0,0,0,0|2,0,0]=4 637 B7R1.1 O=CC1=CNC=C1 CS-D1061 [1,1,0,0,0,0|1,0,1]=4 638 B7R1.1 O=CC1=COC=C1 CS-M0782 [1,1,0,0,0,0|0,0,1]=3 639 B7R1.1 O=CC1=COC=N1 CS-0044894 [1,1,0,0,0,0|1,0,1]=4 640 B7R1.1 O=CC1=CSC=C1 CS-W001968 [1,1,0,0,0,0|0,1,1]=4 641 B7R1.1 O=CC1=NNC=C1 CS-W004202 [1,1,0,0,0,0|2,0,0]=4 642 B7R1.1 OCC1=CC=CS1 CS-0022380 [1,1,0,0,0,0|0,1,1]=4 643 B7R1.1 OCC1=CC=NO1 CS-D0212 [1,1,0,0,0,0|1,0,0]=3 644 B7R1.1 OCC1=CC=NS1 CS-0215637 [1,1,0,0,0,0|1,1,0]=4 645 B7R1.1 OCC1=CN=CO1 CS-W003570 [1,1,0,0,0,0|1,0,1]=4 646 B7R1.1 OCC1=COC=C1 CS-W007708 [1,1,0,0,0,0|0,0,2]=4 647 B7R1.1 OCC1=CSC=C1 CS-W002098 [1,1,0,0,0,0|2,0,0]=4 648 B7R1.1 OCC1=NC=CO1 CS-0054632 [1,1,0,0,0,0|1,0,1]=4 649 B7R1.1 OCC1=NNC=C1 CS-0052530 [1,1,0,0,0,0|2,0,0]=4 650 B7R1.1 OCC1=NOC=C1 CS-W003938 [1,1,0,0,0,0|1,0,1]=4 651 B7R1.4 BrC1=COC=C1Br CS-0157802 [1,1,0,0,0,0|1,0,1]=4 652 B7R1.4 CC1=C(Br)C=CS1 CS-0153498 [1,1,0,0,0,0|0,1,1]=4 653 B7R1.4 CC1=C(Br)C=NO1 CS-W006910 [1,1,0,0,0,0|1,0,0]=3 654 B7R1.4 CC1=C(Br)SC=C1 CS-W002276 [1,1,0,0,0,0|2,0,0]=4 655 B7R1.4 CC1=C(C)SC=C1 CS-W011263 [1,1,0,0,0,0|0,1,1]=4 656 B7R1.4 CC1=C(Cl)C=CS1 CS-0187856 [1,1,0,0,0,0|0,1,1]=4 657 B7R1.4 CC1=C(I)SC=C1 CS-0527678 [1,1,0,0,0,0|2,0,0]=4 658 B7R1.4 CC1=C(S)C=CO1 CS-W011245 [1,1,0,0,0,0|0,0,1]=3 659 B7R1.4 CC1=CC=NN1C CS-W002808 [1,1,0,0,0,0|2,0,0]=4 660 B7R1.4 CC1=CCCC1=O CS-0180943 [1,1,0,0,0,0|1,0,0]=3 661 B7R1.4 CC1=CNN=C1C CS-0028725 [1,1,0,0,0,0|2,0,0]=4 662 B7R1.4 CC1=CNN=C1C CS-W005197 [1,1,0,0,0,0|2,0,0]=4 663 B7R1.4 CC1=CSC=C1Br CS-W008032 [1,1,0,0,0,0|2,0,0]=4 664 B7R1.4 CC1=CSC=C1C CS-W005271 [1,1,0,0,0,0|2,0,0]=4 665 B7R1.4 CC1=NNC=C1Br CS-D1704 [1,1,0,0,0,0|2,0,0]=4 666 B7R1.4 CC1=NNC=C1Cl CS-0206946 [1,1,0,0,0,0|2,0,0]=4 667 B7R1.4 CC1=NNC=C1I CS-W022199 [1,1,0,0,0,0|2,0,0]=4 668 B7R1.4 CC1=NNC=C1N CS-0324737 [1,1,0,0,0,0|2,0,0]=4 669 B7R1.4 CC1=NSC=C1N CS-0628115 [1,1,0,0,0,0|2,0,0]=4 670 B7R1.4 CC1OCCC1=O CS-W011324 [1,1,0,0,0,0|0,0,2]=4 671 B7R1.4 CN1NC=CC1=O CS-0151204 [1,1,0,0,0,0|2,0,0]=4 672 B7R1.4 CN1SC=CC1=O CS-W010959 [1,1,0,0,0,0|1,1,0]=4 673 B7R1.4 CN1SC=CC1=O CS-W011236 [1,1,0,0,0,0|1,1,0]=4 674 B7R1.4 NC1=NOC=C1Br CS-0186966 [1,1,0,0,0,0|2,0,0]=4 675 B7R1.4 NC1=NONC1=O CS-0527523 [1,1,0,0,0,0|2,0,0]=4 676 B7R1.4 O=C1CCC=C1O CS-W019237 [1,1,0,0,0,0|1,0,0]=3 677 B7R1.14 O=S1(=O)C=CCO1 CS-W003828 [1,1,0,0,0,0|2,0,0]=4 678 B7R1.10 COC1CC(=O)C1 CS-0051289 [0,1,0,0,1,0|0,0,2]=4 679 B7R1.10 NCC1CC(=O)C1 CS-0045539 [0,1,0,0,1,0|0,0,2]=4 680 B7R1.10 O=C1CC(CBr)C1 CS-0043859 [0,1,0,0,1,0|0,0,2]=4 681 B7R1.10 O=C1CC(CCl)C1 CS-0054362 [0,1,0,0,1,0|0,0,2]=4 682 B7R1.10 O=C1CC(CO)C1 CS-0045541 [0,1,0,0,1,0|0,0,2]=4 683 B9R1.1 CC1=CC=C(C=O)C=C1 CS-W013576 [0,1,0,0,0,1|1,0,1]=4 684 B9R1.1 CC1=CC=C(C=O)C=N1 CS-D0589 [0,1,0,0,0,1|1,0,1]=4 685 B9R1.1 CC1=CN=C(C=O)C=C1 CS-W004753 [0,1,0,0,0,1|1,0,1]=4 686 B9R1.1 CC1=NC=C(C=O)C=N1 CS-D1652 [0,1,0,0,0,1|1,0,1]=4 687 B9R1.1 COC1=CNC(=O)C=C1 CS-0096327 [0,1,0,0,0,1|1,0,1]=4 688 B9R1.1 NCC1CNC(=O)CO1 CS-0311050 [0,1,0,0,0,1|0,0,2]=4 689 B9R1.1 O=C1C=CC(CO)=CN1 CS-W009044 [0,1,0,0,0,1|1,0,1]=4 690 B9R1.1 O=C1COC(CO)CN1 CS-W022434 [0,1,0,0,0,1|0,0,2]=4 691 B9R1.1 O=C1CO[C@@H](CO)CN1 CS-0183833 [0,1,0,0,0,1|0,0,2]=4 692 B9R1.1 O=C1CO[C@H](CO)CN1 CS-0036959 [0,1,0,0,0,1|0,0,2]=4 693 B9R1.10 CC1(C)C=CC(=O)CC1 CS-0128266 [0,1,0,0,0,1|1,0,1]=4 694 B9R1.10 CC1(C)OCC(=O)CO1 CS-W006362 [0,1,0,0,0,1|0,0,2]=4 695 B9R1.69 CC1=C(N)NC(=O)N=C1 CS-W008091 [0,1,0,0,0,1|2,0,0]=4 696 B9R1.69 CC1=CNC(=O)C(Br)=C1 CS-W003118 [0,1,0,0,0,1|1,0,1]=4 697 B9R1.69 CC1=CNC(=O)C(Br)=N1 CS-0188073 [0,1,0,0,0,1|1,0,1]=4 698 B9R1.69 CC1=CNC(=O)C(C)=N1 CS-W021818 [0,1,0,0,0,1|1,0,1]=4 699 B9R1.69 CC1=CNC(=O)C(Cl)=N1 CS-0099437 [0,1,0,0,0,1|1,0,1]=4 700 B9R1.69 CC1=CNC(=O)C(I)=C1 CS-0132111 [0,1,0,0,0,1|1,0,1]=4 701 B9R1.69 CC1=CNC(=O)C=C1Br CS-0145692 [0,1,0,0,0,1|1,0,1]=4 702 B9R1.69 CC1=CNC(=O)C=C1N CS-W022074 [0,1,0,0,0,1|1,0,1]=4 703 B9R1.69 CC1=CNC(=O)NC1=O CS-W011166 [0,1,0,0,0,1|2,0,0]=4 704 B9R1.69 CC1=CNC(=O)NC1=S CS-0497725 [0,1,0,0,0,1|2,0,0]=4 705 B9R1.69 CC1=NNC(=O)C(Br)=C1 CS-D0156 [0,1,0,0,0,1|2,0,0]=4 706 B9R1.69 O=C1N=CC(F)=CC1F CS-0060274 [0,1,0,0,0,1|2,0,0]=4 707 B9R1.2 CC1=CC(C=O)=CC=C1 CS-0007820 [0,1,0,0,0,1|1,0,1]=4 708 B9R1.2 CC1=CC(C=O)=CC=N1 CS-W003287 [0,1,0,0,0,1|1,0,1]=4 709 B9R1.2 CC1=CC(C=O)=NC=C1 CS-W008908 [0,1,0,0,0,1|1,0,1]=4 710 B9R1.2 CC1=CN=CC(C=O)=C1 CS-W019763 [0,1,0,0,0,1|1,0,1]=4 711 B9R1.2 COC1=CC(=O)CCC1 CS-0100011 [0,1,0,0,0,1|1,0,0]=3 712 B9R1.2 COC1=CC(=O)NC=C1 CS-W003662 [0,1,0,0,0,1|1,0,1]=4 713 B9R1.2 COC1=CC(=O)NC=N1 CS-0045615 [0,1,0,0,0,1|1,0,1]=4 714 B9R1.2 COC1=CC(=O)NN=C1 CS-W022405 [0,1,0,0,0,1|2,0,0]=4 715 B9R1.2 NCC1=CC(=O)NC=C1 CS-0051193 [0,1,0,0,0,1|1,0,1]=4 716 B9R1.2 O=C1C=C(CO)C=CN1 CS-0033712 [0,1,0,0,0,1|1,0,1]=4 717 B9R1.2 O=C1COCC(CO)N1 CS-W022261 [0,1,0,0,0,1|1,0,1]=4 718 B9R1.2 O=C1COC[C@H](CO)N1 CS-0146689 [0,1,0,0,0,1|1,0,1]=4 719 B9R1.3 CC1=C(C)C(=O)NC=C1 CS-0651841 [0,1,0,0,0,1|1,0,1]=4 720 B9R1.3 CC1=C(Cl)C(=O)NC=N1 CS-0045765 [0,1,0,0,0,1|1,0,1]=4 721 B9R1.3 CC1=C(I)C(=O)N=CN1 CS-0041714 [0,1,0,0,0,1|1,0,1]=4 722 B9R1.3 CC1=C(O)C(=O)C=CN1 CS-0782001 [0,1,0,0,0,1|1,0,1]=4 723 B9R1.3 CC1=C(O)C(=O)C=CO1 CS-W013504 [0,1,0,0,0,1|0,0,1]=3 724 B9R1.34 CC1=CC(=O)C=C(C)N1 CS-W013538 [0,1,0,0,0,1|1,0,1]=4 725 B9R1.34 CC1=CC(=O)C=C(C)O1 CS-W011185 [0,1,0,0,0,1|0,0,1]=3 726 B9R1.34 CC1=CC(=O)NC(=O)N1 CS-0017143 [0,1,0,0,0,1|1,0,1]=4 727 B9R1.34 CC1=CC(=O)NC(=S)N1 CS-2723 [0,1,0,0,0,1|1,0,1]=4 728 B9R1.34 CC1=CC(=O)NC(N)=N1 CS-0030573 [0,1,0,0,0,1|1,0,1]=4 729 B9R1.34 CC1=CC(C)=O[Ti](=O)O1 CS-0085473 [0,1,0,0,0,1|2,0,0]=4 730 B9R1.34 CC1=CC(C)=O[V](=O)O1 CS-0111589 [0,1,0,0,0,1|2,0,0]=4 731 B9R1.34 CC1=CC(O)=CC(=O)O1 CS-W020045 [0,1,0,0,0,1|0,0,2]=4 732 B9R1.66 CC1(C)CC(=O)CCO1 CS-D0378 [0,1,0,0,0,1|0,0,2]=4 733 B9R1.66 CC1(C)COCC(=O)N1 CS-0146687 [0,1,0,0,0,1|1,0,1]=4 734 B9R1.7 CCOC1=CC(=O)CC1 CS-0039741 [0,2,0,0,0,0|1,0,0]=3 735 B9R1.7 OCCC1=CC(Br)=NO1 CS-0112262 [0,2,0,0,0,0|2,0,0]=4 736 B9R1.21 COC1=CSC(C=O)=C1 CS-0227462 [0,2,0,0,0,0|2,0,0]=4 737 B9R1.22 CC1=CC(C=O)=C(C)N1 CS-0073098 [0,2,0,0,0,0|1,0,1]=4 738 B9R1.22 CC1=CC(C=O)=C(C)S1 CS-0068031 [0,2,0,0,0,0|0,1,1]=4 739 B9R1.22 CC1=NN(C)C(C=O)=C1 CS-W005610 [0,2,0,0,0,0|2,0,0]=4 740 B9R1.23 CC1=CC(C=O)=NN1C CS-0061282 [0,2,0,0,0,0|2,0,0]=4 741 B9R1.35 CC(=O)C1=CC(Br)=NO1 CS-0436819 [0,2,0,0,0,0|2,0,0]=4 742 B9R1.35 CC(=O)C1=NNC(C)=C1 CS-0061279 [0,2,0,0,0,0|2,0,0]=4 743 B9R1.35 CC(=O)C1=NOC(C)=C1 CS-W007034 [0,2,0,0,0,0|1,0,0]=3 744 B9R1.35 CC1=CC(C(=O)O)=CN1 CS-0018766 [0,2,0,0,0,0|1,0,1]=4 745 B9R1.35 CC1=CC(C(=O)O)=CS1 CS-0054889 [0,2,0,0,0,0|0,1,1]=4 746 B9R1.35 CC1=CC(C(=O)O)=NN1 CS-D1083 [0,2,0,0,0,0|2,0,0]=4 747 B9R1.35 CC1=CC(C(=O)O)=NO1 CS-W007575 [0,2,0,0,0,0|1,0,0]=3 748 B9R1.35 CC1=CC([N+](=O)[O-])=NN1 CS-0058686 [0,2,0,0,0,0|2,0,0]=4 749 B9R1.35 CC1=CNC(C(=O)O)=C1 CS-0139576 [0,2,0,0,0,0|2,0,0]=4 750 B9R1.35 CC1=CSC(C(=O)O)=C1 CS-0036630 [0,2,0,0,0,0|2,0,0]=4 751 B9R1.35 CC1=NC(C(=O)O)=CO1 CS-0061380 [0,2,0,0,0,0|1,0,1]=4 752 B9R1.35 CC1=NC(C(=O)O)=NO1 CS-0044450 [0,2,0,0,0,0|2,0,0]=4 753 B9R1.35 CC1=NC(C(=O)[O-])=NO1 CS-0187794 [0,2,0,0,0,0|2,0,0]=4 754 B9R1.35 CC1=NNC(C(=O)O)=C1 CS-0166799 [0,2,0,0,0,0|2,0,0]=4 755 B9R1.35 CC1=NNC([N+](=O)[O-])=C1 CS-W002641 [0,2,0,0,0,0|2,0,0]=4 756 B9R1.35 CC1=NOC(C(=O)O)=C1 CS-W005033 [0,2,0,0,0,0|2,0,0]=4 757 B9R1.35 O=C1C=C(C(=O)O)ON1 CS-W021938 [0,2,0,0,0,0|1,0,1]=4 758 B9R1.132 CC1=C(CO)ON=C1Br CS-0877117 [0,2,0,0,0,0|2,0,0]=4 759 B9R1.132 COC1=C(Br)C(=O)CC1 CS-0040747 [0,2,0,0,0,0|1,0,0]=3 760 B9R1.37 CC1=C(C)C(=O)OC1=O CS-W016566 [0,2,0,0,0,0|2,0,0]=4 761 B9R1.37 CC1=C(C)C(C)=C(C)C1 CS-0204368 [0,2,0,0,0,0|2,0,0]=4 762 B9R1.37 CC1=C(O)C(=O)C(C)O1 CS-W013470 [0,2,0,0,0,0|0,0,0]=2 763 B9R1.37 CC1=C(O)C(=O)OC1C CS-0035224 [0,2,0,0,0,0|2,0,0]=4 764 B9R1.37 CC1CC(C)C(=O)C1=O CS-0238807 [0,2,0,0,0,0|1,0,1]=4 765 B9R1.38 CC1(C)OC(=O)NC1=O CS-0013093 [0,2,0,0,0,0|2,0,0]=4 766 B9R1.27 CC1=NOC(C)=C1C=O CS-W002952 [0,2,0,0,0,0|2,0,0]=4 767 B9R1.27 CC1=NOC(C)=C1CCl CS-W018244 [0,2,0,0,0,0|2,0,0]=4 768 B9R1.27 CC1=NOC(C)=C1CN CS-W006542 [0,2,0,0,0,0|2,0,0]=4 769 B9R1.27 CC1=NOC(C)=C1CO CS-0085293 [0,2,0,0,0,0|2,0,0]=4 770 B7R1.3 O=C1C=CCCN1 CS-W006454 [0,0,1,1,0,0|2,0,0]=4 771 B7R1.3 O=C1CCCOC1 CS-D1576 [0,0,1,1,0,0|0,0,2]=4 772 B7R1.3 O=C1COCCN1 CS-D1427 [0,0,1,1,0,0|1,0,1]=4 773 B7R1.3 O=C1COCCO1 CS-0031423 [0,0,1,1,0,0|1,0,1]=4 774 B7R1.22 O=C(CO)C1CC1 CS-0230656 [0,0,1,1,0,0|0,0,2]=4 775 B7R1.18 O=C(O)C1CCO1 CS-W006382 [0,0,1,1,0,0|1,0,1]=4 776 B7R1.18 O=C(O)[C@@H]1CCO1 CS-0148269 [0,0,1,1,0,0|1,0,1]=4 777 B5R0.5 C=C(C)C(=O)[O-] CS-W012887 [0,0,1,0,1,0|2,0,0]=4 778 B5R0.5 C=C(C)C(N)=O CS-0031911 [0,0,1,0,1,0|2,0,0]=4 779 B5R0.5 CC(=O)C(=O)O CS-W020190 [0,0,1,0,1,0|1,0,0]=3 780 B5R0.5 CC(=O)C(=O)[O-] CS-W014944 [0,0,1,0,1,0|1,0,1]=4 781 B5R0.5 CC(=O)C(C)Br CS-0130132 [0,0,1,0,1,0|1,0,1]=4 782 B5R0.5 CC(=O)C(C)N CS-0105630 [0,0,1,0,1,0|1,0,1]=4 783 B5R0.5 CC(=O)N(C)C CS-W023195 [0,0,1,0,1,0|2,0,0]=4 784 B5R0.5 CC(=O)[13C](=O)O CS-0514226 [0,0,1,0,1,0|1,0,0]=3 785 B5R0.5 CC(=O)[C@H](C)N CS-0197276 [0,0,1,0,1,0|1,0,1]=4 786 B5R0.5 CC(C)=C(C)Br CS-0188281 [0,0,1,0,1,0|2,0,0]=4 787 B5R0.5 CC(O)C(=O)O CS-0013338 [0,0,1,0,1,0|1,0,1]=4 788 B5R0.5 CC(O)C(=O)O CS-0031116 [0,0,1,0,1,0|1,0,1]=4 789 B5R0.5 CC(O)C(=O)O CS-0310546 [0,0,1,0,1,0|1,0,1]=4 790 B5R0.5 CC(O)C(=O)[O-] CS-0021602 [0,0,1,0,1,0|1,0,1]=4 791 B5R0.5 CC(O)C(N)=O CS-0068194 [0,0,1,0,1,0|1,0,1]=4 792 B5R0.5 C[C@@H](O)C(N)=O CS-W016674 [0,0,1,0,1,0|1,0,1]=4 793 B5R0.5 C[C@H](O)C(=O)O CS-0015266 [0,0,1,0,1,0|1,0,1]=4 794 B5R0.5 C[C@H](O)C(N)=O CS-0330478 [0,0,1,0,1,0|1,0,1]=4 795 B5R0.5 NC(=O)C(=O)O CS-W013748 [0,0,1,0,1,0|2,0,0]=4 796 B5R0.5 O=C(O)C(=O)O CS-0013716 [0,0,1,0,1,0|2,0,0]=4 797 B5R0.5 O=C(O)C(=O)O CS-0017264 [0,0,1,0,1,0|2,0,0]=4 798 B5R0.5 O=C(O)C(=O)O CS-0882464 [0,0,1,0,1,0|2,0,0]=4 799 B5R0.5 O=C(O)C(=O)O CS-W004907 [0,0,1,0,1,0|2,0,0]=4 800 B5R1.2 O=C1CCN1 CS-W011364 [1,0,0,0,1,0|1,0,1]=4 801 B5R1.2 O=C1CNC1 CS-W019264 [1,0,0,0,1,0|1,0,1]=4 802 B5R1.2 O=C1COC1 CS-M1912 [1,0,0,0,1,0|0,0,1]=3 803 B5R1.2 O=C1CSC1 CS-B0978 [1,0,0,0,1,0|0,1,1]=4