0 B7R0.6 C=C(C)CCC(=C)C MCULE-6018302318 [0,0,0,0,0,0|4,0,0]=4 1 B7R0.6 C=C(C)CCC(=O)C MCULE-4201277876 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.6 C=C(C)CCC(=O)O MCULE-8738532812 [0,0,0,0,0,0|4,0,0]=4 3 B7R0.6 C=C(C)CCC(C)O MCULE-5005514248 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.6 C=C(C)COC(=O)C MCULE-7739945243 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.6 C=C(C)NCC(=O)O MCULE-6347105994 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.6 CC(=CC=C(C)C)C MCULE-9852692083 [0,0,0,0,0,0|4,0,0]=4 7 B7R0.6 CC(=CCC(=O)O)C MCULE-2552993418 [0,0,0,0,0,0|4,0,0]=4 8 B7R0.6 CC(=NN=C(C)C)C MCULE-7791135415 [0,0,0,0,0,0|2,0,0]=2 9 B7R0.6 CC(=NNC(=O)N)C MCULE-9452330207 [0,0,0,0,0,0|2,0,2]=4 10 B7R0.6 CC(=NNC(=S)N)C MCULE-1116177945 [0,0,0,0,0,0|2,1,1]=4 11 B7R0.6 CC(=O)/C=C/C(=O)O MCULE-8768861026 [0,0,0,0,0,0|3,0,1]=4 12 B7R0.6 CC(=O)C=CC(=O)C MCULE-9472466140 [0,0,0,0,0,0|2,0,2]=4 13 B7R0.6 CC(=O)C=CC(=O)O MCULE-6867353277 [0,0,0,0,0,0|3,0,1]=4 14 B7R0.6 CC(=O)CCC(=O)C MCULE-3166810473 [0,0,0,0,0,0|2,0,2]=4 15 B7R0.6 CC(=O)CCC(=O)O MCULE-1392778065 [0,0,0,0,0,0|3,0,1]=4 16 B7R0.6 CC(=O)CNC(=O)C MCULE-7941086302 [0,0,0,0,0,0|1,0,3]=4 17 B7R0.6 CC(=O)COC(=O)C MCULE-2994552521 [0,0,0,0,0,0|2,0,2]=4 18 B7R0.6 CC(=O)NCC(=O)O MCULE-5811325186 [0,0,0,0,0,0|2,0,2]=4 19 B7R0.6 CC(=O)NCC(C)O MCULE-2406798273 [0,0,0,0,0,0|1,0,3]=4 20 B7R0.6 CC(=O)NN=C(C)C MCULE-9759901228 [0,0,0,0,0,0|1,0,2]=3 21 B7R0.6 CC(=O)NNC(=O)C MCULE-3292268906 [0,0,0,0,0,0|0,0,4]=4 22 B7R0.6 CC(=O)OCC(=O)O MCULE-6837320824 [0,0,0,0,0,0|3,0,1]=4 23 B7R0.6 CC(=O)OCC(C)O MCULE-3660209140 [0,0,0,0,0,0|2,0,2]=4 24 B7R0.6 CC(=O)ON=C(C)C MCULE-4373487613 [0,0,0,0,0,0|2,0,1]=3 25 B7R0.6 CC(=O)SCC(=O)O MCULE-1974657694 [0,0,0,0,0,0|3,0,1]=4 26 B7R0.6 CC(=S)NCC(=O)O MCULE-9052571833 [0,0,0,0,0,0|2,1,1]=4 27 B7R0.6 CC(O)C#CC(C)O MCULE-5307271719 [0,0,0,0,0,0|2,0,2]=4 28 B7R0.6 CC(O)C=CC(C)O MCULE-1362403822 [0,0,0,0,0,0|2,0,2]=4 29 B7R0.6 CC(O)CCC(=O)O MCULE-6352217997 [0,0,0,0,0,0|3,0,1]=4 30 B7R0.6 CC(O)CCC(C)O MCULE-6170497684 [0,0,0,0,0,0|2,0,2]=4 31 B7R0.6 C[C@@H](O)CC[C@@H](C)O MCULE-3982464496 [0,0,0,0,0,0|2,0,2]=4 32 B7R0.6 C[C@@H](O)CC[C@@H](C)O MCULE-6083261012 [0,0,0,0,0,0|2,0,2]=4 33 B7R0.6 C[C@@H](O)CC[C@@H](C)O MCULE-8142548171 [0,0,0,0,0,0|2,0,2]=4 34 B7R0.6 C[C@@H](O)COC(=O)O MCULE-3794886346 [0,0,0,0,0,0|3,0,1]=4 35 B7R0.6 C[C@H](O)CC[C@H](C)O MCULE-5867971604 [0,0,0,0,0,0|2,0,2]=4 36 B7R0.6 C[C@H](O)CC[C@H](C)O MCULE-7024859164 [0,0,0,0,0,0|2,0,2]=4 37 B7R0.6 NC(=O)/N=N/C(=O)N MCULE-4339161906 [0,0,0,0,0,0|2,0,2]=4 38 B7R0.6 NC(=O)N=NC(=O)N MCULE-2129487615 [0,0,0,0,0,0|2,0,2]=4 39 B7R0.6 O=C(O)/C=C/C(=O)O MCULE-3549142744 [0,0,0,0,0,0|4,0,0]=4 40 B7R0.6 O=C(O)/C=C/C(=O)O MCULE-5263906793 [0,0,0,0,0,0|4,0,0]=4 41 B7R0.6 O=C(O)/C=C\C(=O)O MCULE-1113222985 [0,0,0,0,0,0|4,0,0]=4 42 B7R0.6 O=C(O)C#CC(=O)O MCULE-3952041688 [0,0,0,0,0,0|4,0,0]=4 43 B7R0.6 O=C(O)C=CC(=O)O MCULE-5329407890 [0,0,0,0,0,0|4,0,0]=4 44 B7R0.6 O=C(O)C=CC(=O)O MCULE-7492596773 [0,0,0,0,0,0|4,0,0]=4 45 B7R0.6 O=C(O)C=CC(=O)O MCULE-8076793268 [0,0,0,0,0,0|4,0,0]=4 46 B7R0.6 O=C(O)C=CC(=O)O MCULE-9488315563 [0,0,0,0,0,0|4,0,0]=4 47 B7R0.6 O=C(O)C=CC(=O)O MCULE-9920754312 [0,0,0,0,0,0|4,0,0]=4 48 B7R0.6 O=C(O)CCC(=O)O MCULE-1233211613 [0,0,0,0,0,0|4,0,0]=4 49 B7R0.6 O=C(O)CCC(=O)O MCULE-5889111640 [0,0,0,0,0,0|4,0,0]=4 50 B7R0.6 O=C(O)N=NC(=O)O MCULE-6858626658 [0,0,0,0,0,0|2,0,0]=2 51 B7R0.6 O=C([O-])N=NC(=O)[O-] MCULE-3382785265 [0,0,0,0,0,0|2,0,2]=4 52 B6R0.4 C/C=C/CC(=O)O MCULE-4626577048 [1,0,0,0,0,0|3,0,0]=4 53 B6R0.4 C/C=N/NC(=O)N MCULE-5855402964 [1,0,0,0,0,0|1,0,2]=4 54 B6R0.4 C=CON=C(C)C MCULE-5340817509 [1,0,0,0,0,0|2,0,1]=4 55 B6R0.4 CC(=NNC=O)C MCULE-6194074981 [1,0,0,0,0,0|1,0,2]=4 56 B6R0.4 CC=CCC(=O)O MCULE-9174714653 [1,0,0,0,0,0|3,0,0]=4 57 B6R0.4 CC=NNC(=O)N MCULE-3878774235 [1,0,0,0,0,0|1,0,2]=4 58 B6R0.4 CC=NNC(=S)N MCULE-3128372277 [1,0,0,0,0,0|1,1,1]=4 59 B6R0.4 CON=CC(=O)O MCULE-6800819509 [1,0,0,0,0,0|3,0,0]=4 60 B8R0.9 CC(=NO)CCC(=O)O MCULE-2481442220 [0,1,0,0,0,0|3,0,0]=4 61 B8R0.9 CNC(=S)NN=C(C)C MCULE-1307710463 [0,1,0,0,0,0|1,1,1]=4 62 B8R0.9 CS/C(=N\N=C(C)C)/N MCULE-6973323636 [0,1,0,0,0,0|2,0,0]=3 63 B8R0.9 CS/C(=[NH+]\N=C(C)C)/N MCULE-2878503536 [0,1,0,0,0,0|2,0,1]=4 64 B8R0.9 CSC(=S)NN=C(C)C MCULE-5704247905 [0,1,0,0,0,0|1,1,1]=4 65 B8R1.3 CC1=CC=C(N=C1)C MCULE-9408937494 [0,0,0,1,0,0|3,0,0]=4 66 B8R1.3 CC1=CC=C(N=N1)Br MCULE-5977362039 [0,0,0,1,0,0|2,0,1]=4 67 B8R1.3 CC1=CC=C(N=N1)Cl MCULE-2710711300 [0,0,0,1,0,0|2,0,1]=4 68 B8R1.3 CC1=CC=C(N=N1)N MCULE-6131505369 [0,0,0,1,0,0|2,0,1]=4 69 B8R1.3 CC1=CN=C(C=C1)O MCULE-1035082824 [0,0,0,1,0,0|2,0,1]=4 70 B8R1.3 CC1=CN=C(C=N1)C MCULE-2763393473 [0,0,0,1,0,0|3,0,0]=4 71 B8R1.3 CC1=CN=C(N=C1)C MCULE-9429734198 [0,0,0,1,0,0|3,0,0]=4 72 B8R1.3 CC1=CN=C(N=C1)O MCULE-3275510040 [0,0,0,1,0,0|3,0,0]=4 73 B8R1.3 CC1=CN=C(N=C1)O MCULE-7217047564 [0,0,0,1,0,0|3,0,0]=4 74 B8R1.3 CC1=NC=C(C=C1)O MCULE-4968086738 [0,0,0,1,0,0|2,0,1]=4 75 B8R1.3 CC1=NC=C(C=N1)O MCULE-4030103764 [0,0,0,1,0,0|2,0,1]=4 76 B8R1.3 CC1=NN=C(C=C1)C MCULE-9982562716 [0,0,0,1,0,0|2,0,0]=3 77 B8R1.3 CC1=NN=C(C=C1)F MCULE-2501182473 [0,0,0,1,0,0|2,0,1]=4 78 B8R1.3 CC1=NN=C(C=C1)I MCULE-9517042486 [0,0,0,1,0,0|2,0,1]=4 79 B8R1.3 CC1=NN=C(C=C1)O MCULE-9825690329 [0,0,0,1,0,0|1,0,1]=3 80 B8R1.3 CC1=NN=C(C=C1)S MCULE-6098723369 [0,0,0,1,0,0|1,1,1]=4 81 B8R1.3 CC1=NN=C(N=N1)C MCULE-8263905337 [0,0,0,1,0,0|2,0,0]=3 82 B8R1.3 CC1=NN=C(N=N1)N MCULE-5094506285 [0,0,0,1,0,0|3,0,0]=4 83 B8R1.3 CC1=NNC(=O)CC1 MCULE-3548202908 [0,0,0,1,0,0|1,0,2]=4 84 B8R1.3 NC1=NN=C(C=C1)O MCULE-6431022261 [0,0,0,1,0,0|1,0,2]=4 85 B8R1.3 OC1=CC=C(N=C1)O MCULE-5547223106 [0,0,0,1,0,0|1,0,2]=4 86 B8R1.3 OC1=CN=C(C=N1)O MCULE-9267292773 [0,0,0,1,0,0|2,0,1]=4 87 B8R1.3 OC1=NN=C(C=C1)Br MCULE-8600852904 [0,0,0,1,0,0|1,0,2]=4 88 B6R0.2 C=C(C)C=C(C)C MCULE-1842732141 [0,0,0,0,1,0|3,0,0]=4 89 B6R0.2 C=C(C)CC(=O)C MCULE-3534735279 [0,0,0,0,1,0|2,0,1]=4 90 B6R0.2 C=C(C)CC(=O)O MCULE-5404023928 [0,0,0,0,1,0|3,0,0]=4 91 B6R0.2 C=C(C)C[C@@H](C)O MCULE-8518319636 [0,0,0,0,1,0|2,0,1]=4 92 B6R0.2 C=C(C)C[C@H](C)O MCULE-7139115019 [0,0,0,0,1,0|2,0,1]=4 93 B6R0.2 C=C(C)OC(=O)C MCULE-9345377025 [0,0,0,0,1,0|2,0,1]=4 94 B6R0.2 CC(=CC(=O)O)C MCULE-4772426340 [0,0,0,0,1,0|3,0,0]=4 95 B6R0.2 CC(=CC(=O)O)Cl MCULE-7503760292 [0,0,0,0,1,0|3,0,0]=4 96 B6R0.2 CC(=CC(=O)O)I MCULE-2652373771 [0,0,0,0,1,0|3,0,0]=4 97 B6R0.2 CC(=CC(=O)O)N MCULE-5894724848 [0,0,0,0,1,0|3,0,0]=4 98 B6R0.2 CC(=CC(C)O)C MCULE-5270694894 [0,0,0,0,1,0|2,0,1]=4 99 B6R0.2 CC(=N)CC(=O)C MCULE-4678643052 [0,0,0,0,1,0|2,0,1]=4 100 B6R0.2 CC(=NC(C)C)C MCULE-4174313497 [0,0,0,0,1,0|2,0,1]=4 101 B6R0.2 CC(=NN(C)C)C MCULE-6010928278 [0,0,0,0,1,0|3,0,0]=4 102 B6R0.2 CC(=O)/C=C(/C)\N MCULE-1235186190 [0,0,0,0,1,0|2,0,1]=4 103 B6R0.2 CC(=O)/C=C(/C)\[O-] MCULE-3445340105 [0,0,0,0,1,0|1,0,2]=4 104 B6R0.2 CC(=O)/C=C(/C)\[O-] MCULE-7833799417 [0,0,0,0,1,0|1,0,2]=4 105 B6R0.2 CC(=O)/C=C(\C)/N MCULE-6412393370 [0,0,0,0,1,0|2,0,1]=4 106 B6R0.2 CC(=O)C=C(C)C MCULE-4922478422 [0,0,0,0,1,0|2,0,1]=4 107 B6R0.2 CC(=O)C=C(C)N MCULE-2247743178 [0,0,0,0,1,0|2,0,1]=4 108 B6R0.2 CC(=O)C=C(C)O MCULE-7345258397 [0,0,0,0,1,0|1,0,1]=3 109 B6R0.2 CC(=O)C=C(C)[O-] MCULE-7733093724 [0,0,0,0,1,0|1,0,2]=4 110 B6R0.2 CC(=O)CC(=O)C MCULE-6481204381 [0,0,0,0,1,0|1,0,2]=4 111 B6R0.2 CC(=O)CC(=O)O MCULE-2601276539 [0,0,0,0,1,0|2,0,1]=4 112 B6R0.2 CC(=O)CC(C)O MCULE-5175367575 [0,0,0,0,1,0|1,0,2]=4 113 B6R0.2 CC(=O)NC(=O)C MCULE-3040534108 [0,0,0,0,1,0|0,0,3]=4 114 B6R0.2 CC(=O)OC(=O)C MCULE-9184217748 [0,0,0,0,1,0|1,0,2]=4 115 B6R0.2 CC(=O)SC(=O)C MCULE-5749449964 [0,0,0,0,1,0|1,0,2]=4 116 B6R0.2 CC(=O)[CH-]C(=O)C MCULE-4855074933 [0,0,0,0,1,0|1,0,2]=4 117 B6R0.2 CC(=O)[CH-]C(=O)C MCULE-6905854247 [0,0,0,0,1,0|1,0,2]=4 118 B6R0.2 CC(O)CC(=O)O MCULE-3566732882 [0,0,0,0,1,0|2,0,1]=4 119 B6R0.2 CC(O)CC(=O)O MCULE-6537877725 [0,0,0,0,1,0|2,0,1]=4 120 B6R0.2 CC(O)CC(C)O MCULE-1652556328 [0,0,0,0,1,0|1,0,2]=4 121 B6R0.2 C[C@@H](O)CC(=O)O MCULE-2545577683 [0,0,0,0,1,0|2,0,1]=4 122 B6R0.2 C[C@@H](O)CC(=O)O MCULE-4159227891 [0,0,0,0,1,0|2,0,1]=4 123 B6R0.2 C[C@@H](O)C[C@@H](C)O MCULE-3504626196 [0,0,0,0,1,0|1,0,2]=4 124 B6R0.2 C[C@@H](O)C[C@@H](C)O MCULE-4671148975 [0,0,0,0,1,0|1,0,2]=4 125 B6R0.2 C[C@@H](O)C[C@@H](C)O MCULE-8345849773 [0,0,0,0,1,0|1,0,2]=4 126 B6R0.2 C[C@H](O)CC(=O)O MCULE-2857686566 [0,0,0,0,1,0|2,0,1]=4 127 B6R0.2 C[C@H](O)CC(=O)O MCULE-3362266278 [0,0,0,0,1,0|2,0,1]=4 128 B6R0.2 C[C@H](O)C[C@H](C)O MCULE-1267135444 [0,0,0,0,1,0|1,0,2]=4 129 B6R0.2 C[C@H](O)C[C@H](C)O MCULE-5878966333 [0,0,0,0,1,0|1,0,2]=4 130 B6R0.2 O=C(O)CC(=O)O MCULE-5893043131 [0,0,0,0,1,0|3,0,0]=4 131 B8R0.28 C=C(C)C=NNC(=O)C MCULE-6760285552 [0,0,0,0,0,1|1,0,2]=4 132 B8R0.28 N/C(=N/N=CC(=O)O)/S MCULE-8699765131 [0,0,0,0,0,1|2,1,0]=4 133 B5R0.1 C/C=C/C(=O)C MCULE-2109656516 [2,0,0,0,0,0|1,0,1]=4 134 B5R0.1 C/C=C/C(=O)O MCULE-6937494852 [2,0,0,0,0,0|2,0,0]=4 135 B5R0.1 C/C=C/C(C)O MCULE-3191147789 [2,0,0,0,0,0|1,0,1]=4 136 B5R0.1 CC(=O)/C=N/O MCULE-5424156575 [2,0,0,0,0,0|1,0,1]=4 137 B5R0.1 CC(=O)/C=N\O MCULE-9083768531 [2,0,0,0,0,0|1,0,1]=4 138 B5R0.1 CC(=O)C=NO MCULE-5513006918 [2,0,0,0,0,0|1,0,1]=4 139 B5R0.1 CC=CC(=O)C MCULE-4826977340 [2,0,0,0,0,0|1,0,1]=4 140 B5R0.1 CC=CC(=O)O MCULE-7970410217 [2,0,0,0,0,0|2,0,0]=4 141 B5R0.1 CC=CC(C)O MCULE-4806592836 [2,0,0,0,0,0|1,0,1]=4 142 B5R0.1 CC=NN(C)C MCULE-7039280578 [2,0,0,0,0,0|2,0,0]=4 143 B5R0.1 CNN=C(C)C MCULE-6307375856 [2,0,0,0,0,0|1,0,1]=4 144 B5R0.1 O=C(O)/C=N/O MCULE-2471349844 [2,0,0,0,0,0|2,0,0]=4 145 B5R0.1 O=C(O)C=NO MCULE-2039309679 [2,0,0,0,0,0|2,0,0]=4 146 B5R0.2 C/C=C/C=C/C MCULE-9400628806 [2,0,0,0,0,0|2,0,0]=4 147 B5R0.2 CC=CC=CC MCULE-7702675183 [2,0,0,0,0,0|2,0,0]=4 148 B7R0.3 CC=NNC(=S)NC MCULE-3608462649 [1,1,0,0,0,0|0,1,1]=4 149 B9R0.1 CS/C(=N\N=CC(=O)O)/N MCULE-1736406040 [0,1,0,0,0,1|2,0,0]=4 150 B9R0.24 CC(=NO)CCC(=NO)C MCULE-6922851894 [0,2,0,0,0,0|2,0,0]=4 151 B9R0.24 CCC(=N/N=C(\N)/SC)C MCULE-5138768156 [0,2,0,0,0,0|2,0,0]=4 152 B9R0.24 COC(=O)/N=N/C(=O)OC MCULE-3672642911 [0,2,0,0,0,0|0,0,2]=4 153 B9R0.24 COC(=O)N=NC(=O)OC MCULE-9355928501 [0,2,0,0,0,0|0,0,2]=4 154 B9R0.43 CN/C(=N/N=C(C)C)/SC MCULE-8957547065 [0,2,0,0,0,0|1,1,0]=4 155 B7R1.2 CC1=CC(=NN1)C MCULE-4873265902 [1,0,0,1,0,0|1,0,1]=4 156 B7R1.2 CC1=CC(=NN1)C MCULE-8100496522 [1,0,0,1,0,0|1,0,1]=4 157 B7R1.2 CC1=CC(=NO1)C MCULE-5128459474 [1,0,0,1,0,0|2,0,0]=4 158 B7R1.2 CC1=CC(=O)N=N1 MCULE-8356895370 [1,0,0,1,0,0|0,0,2]=4 159 B7R1.2 CC1=CC=C(O1)C MCULE-2776549830 [1,0,0,1,0,0|2,0,0]=4 160 B7R1.2 CC1=CN(N=N1)C MCULE-6586051343 [1,0,0,1,0,0|2,0,0]=4 161 B7R1.2 CC1=CN=C(O1)Br MCULE-3952379614 [1,0,0,1,0,0|2,0,0]=4 162 B7R1.2 CC1=CN=C(O1)C MCULE-8416988900 [1,0,0,1,0,0|1,0,0]=3 163 B7R1.2 CC1=CN=C(O1)Cl MCULE-1762464687 [1,0,0,1,0,0|2,0,0]=4 164 B7R1.2 CC1=CN=C(O1)Cl MCULE-3921580627 [1,0,0,1,0,0|2,0,0]=4 165 B7R1.2 CC1=CN=C(O1)I MCULE-4568617242 [1,0,0,1,0,0|2,0,0]=4 166 B7R1.2 CC1=CN=C(O1)N MCULE-5846833894 [1,0,0,1,0,0|2,0,0]=4 167 B7R1.2 CC1=CN=C(S1)C MCULE-9725720944 [1,0,0,1,0,0|1,1,0]=4 168 B7R1.2 CC1=CN=C(S1)O MCULE-4228024619 [1,0,0,1,0,0|1,1,0]=4 169 B7R1.2 CC1=NC(=O)N=N1 MCULE-2642903272 [1,0,0,1,0,0|1,0,1]=4 170 B7R1.2 CC1=NC=C(O1)Br MCULE-1770948017 [1,0,0,1,0,0|2,0,0]=4 171 B7R1.2 CC1=NC=C(O1)Br MCULE-4635846619 [1,0,0,1,0,0|2,0,0]=4 172 B7R1.2 CC1=NC=C(O1)N MCULE-9670426348 [1,0,0,1,0,0|2,0,0]=4 173 B7R1.2 CC1=NN(N=N1)C MCULE-9588586595 [1,0,0,1,0,0|2,0,0]=4 174 B7R1.2 CC1=NN=C(C1)C MCULE-3200040203 [1,0,0,1,0,0|1,0,0]=3 175 B7R1.2 CC1=NN=C(C1)N MCULE-4185535753 [1,0,0,1,0,0|1,0,0]=3 176 B7R1.2 CC1=NN=C(N1)N MCULE-5689037308 [1,0,0,1,0,0|2,0,0]=4 177 B7R1.2 CC1=NN=C(N1)S MCULE-6116140119 [1,0,0,1,0,0|1,1,0]=4 178 B7R1.2 CC1=NN=C(O1)Br MCULE-4777799057 [1,0,0,1,0,0|1,0,0]=3 179 B7R1.2 CC1=NN=C(O1)C MCULE-8675560585 [1,0,0,1,0,0|0,0,0]=2 180 B7R1.2 CC1=NN=C(O1)Cl MCULE-9822886021 [1,0,0,1,0,0|1,0,0]=3 181 B7R1.2 CC1=NN=C(O1)I MCULE-5284769897 [1,0,0,1,0,0|1,0,0]=3 182 B7R1.2 CC1=NN=C(O1)N MCULE-4286573489 [1,0,0,1,0,0|1,0,0]=3 183 B7R1.2 CC1=NN=C(O1)O MCULE-8136744513 [1,0,0,1,0,0|0,0,0]=2 184 B7R1.2 CC1=NN=C(S1)Br MCULE-4043353456 [1,0,0,1,0,0|1,1,0]=4 185 B7R1.2 CC1=NN=C(S1)C MCULE-1619155212 [1,0,0,1,0,0|0,1,0]=3 186 B7R1.2 CC1=NN=C(S1)Cl MCULE-1360893454 [1,0,0,1,0,0|1,1,0]=4 187 B7R1.2 CC1=NN=C(S1)I MCULE-9281283251 [1,0,0,1,0,0|1,1,0]=4 188 B7R1.2 CC1=NN=C(S1)N MCULE-5420643525 [1,0,0,1,0,0|1,1,0]=4 189 B7R1.2 CC1=NN=C(S1)O MCULE-6682631031 [1,0,0,1,0,0|0,1,0]=3 190 B7R1.2 CC1=NN=C(S1)S MCULE-2337694708 [1,0,0,1,0,0|0,2,0]=4 191 B7R1.2 CC1=NNC(=C1)O MCULE-6802545425 [1,0,0,1,0,0|0,0,2]=4 192 B7R1.2 CC1=NNC(=N1)C MCULE-6761346776 [1,0,0,1,0,0|1,0,1]=4 193 B7R1.2 CC1=NNC(=O)C1 MCULE-2406140611 [1,0,0,1,0,0|0,0,2]=4 194 B7R1.2 CC1=NNC(=S)O1 MCULE-1357179698 [1,0,0,1,0,0|0,1,1]=4 195 B7R1.2 CC1=NOC(=C1)O MCULE-4469914138 [1,0,0,1,0,0|1,0,1]=4 196 B7R1.2 CC1=NOC(=N1)O MCULE-2537387972 [1,0,0,1,0,0|2,0,0]=4 197 B7R1.2 CC1=NOC(=O)C1 MCULE-2665741338 [1,0,0,1,0,0|1,0,1]=4 198 B7R1.2 CC1=NOC(=O)C1 MCULE-3084424307 [1,0,0,1,0,0|1,0,1]=4 199 B7R1.2 CC1=NOC(=O)O1 MCULE-5416417255 [1,0,0,1,0,0|1,0,1]=4 200 B7R1.2 CC1=NSC(=N1)C MCULE-4847029690 [1,0,0,1,0,0|2,0,0]=4 201 B7R1.2 NC1=NN=C(S1)O MCULE-9726286357 [1,0,0,1,0,0|1,1,0]=4 202 B7R1.3 CC1=NC=CN=N1 MCULE-7324585353 [1,0,0,1,0,0|1,0,1]=4 203 B7R1.3 CC1=NN=CC=C1 MCULE-3738378616 [1,0,0,1,0,0|1,0,1]=4 204 B7R1.3 O=C1CC=CN=N1 MCULE-5717852017 [1,0,0,1,0,0|0,0,2]=4 205 B7R1.3 OC1=CN=NCC1 MCULE-3904781537 [1,0,0,1,0,0|2,0,0]=4 206 B7R1.3 OC1=NN=CC=C1 MCULE-6627322308 [1,0,0,1,0,0|0,0,2]=4 207 B9R1.35 CC1=CN=C(O1)C(=O)O MCULE-5426414000 [0,0,0,1,0,1|2,0,0]=4 208 B9R1.35 CC1=NC=C(O1)C(=O)O MCULE-6374752093 [0,0,0,1,0,1|2,0,0]=4 209 B9R1.35 CC1=NN=C(O1)C(=O)O MCULE-7165747305 [0,0,0,1,0,1|1,0,0]=3 210 B9R1.35 CC1=NN=C(O1)C(=O)[O-] MCULE-6480208427 [0,0,0,1,0,1|1,0,1]=4 211 B9R1.35 CC1=NN=C(O1)C(C)Cl MCULE-7790558618 [0,0,0,1,0,1|1,0,1]=4 212 B9R1.35 CC1=NN=C(O1)C(C)N MCULE-2285283323 [0,0,0,1,0,1|1,0,1]=4 213 B9R1.35 CC1=NN=C(O1)C(C)N MCULE-5578692866 [0,0,0,1,0,1|1,0,1]=4 214 B9R1.35 CC1=NN=C(O1)C(C)O MCULE-6993513327 [0,0,0,1,0,1|0,0,1]=3 215 B9R1.35 CC1=NN=C(S1)C(=O)O MCULE-5693293495 [0,0,0,1,0,1|1,1,0]=4 216 B9R1.35 NC1=NN=C(O1)C(=O)O MCULE-6520978340 [0,0,0,1,0,1|2,0,0]=4 217 B9R1.1 CC1=NN=C(C=C1)CCl MCULE-3348359284 [0,1,0,1,0,0|2,0,0]=4 218 B9R1.1 CC1=NN=C(C=C1)CCl MCULE-6893351900 [0,1,0,1,0,0|2,0,0]=4 219 B9R1.1 CC1=NN=C(C=C1)CN MCULE-7436198648 [0,1,0,1,0,0|2,0,0]=4 220 B9R1.1 CC1=NN=C(C=C1)CN MCULE-8990411169 [0,1,0,1,0,0|2,0,0]=4 221 B9R1.1 CC1=NN=C(C=C1)CO MCULE-8224975927 [0,1,0,1,0,0|1,0,1]=4 222 B9R1.1 CCC1=CC=C(N=N1)O MCULE-8299263067 [0,1,0,1,0,0|1,0,1]=4 223 B9R1.1 CNC1=CC=C(N=N1)O MCULE-1274883212 [0,1,0,1,0,0|1,0,1]=4 224 B9R1.1 CNC1=CC=C(N=N1)O MCULE-7216890251 [0,1,0,1,0,0|1,0,1]=4 225 B9R1.1 CNC1=NN=C(C=C1)C MCULE-1599833191 [0,1,0,1,0,0|2,0,0]=4 226 B9R1.1 COC1=NN=C(C=C1)C MCULE-9680509347 [0,1,0,1,0,0|1,0,1]=4 227 B9R1.1 CSC1=NC=C(N=N1)C MCULE-1868087081 [0,1,0,1,0,0|2,0,0]=4 228 B9R1.1 OCC1=NN=C(C=C1)O MCULE-9072809673 [0,1,0,1,0,0|0,0,2]=4 229 B9R1.69 CC1=C(N=NC(=C1)O)C MCULE-5958698617 [0,1,0,1,0,0|1,0,1]=4 230 B9R1.69 CC1=CC(=C(C=N1)O)C MCULE-3927962852 [0,1,0,1,0,0|2,0,0]=4 231 B9R1.69 CC1=CC(=NN=C1Cl)C MCULE-5982740689 [0,1,0,1,0,0|2,0,0]=4 232 B9R1.69 CC1=CC(=NN=C1O)Cl MCULE-1917248421 [0,1,0,1,0,0|1,0,1]=4 233 B9R1.69 CC1=CN=C(C(=C1)O)C MCULE-9539366646 [0,1,0,1,0,0|2,0,0]=4 234 B9R1.69 CC1=CN=C(C(=N1)C)O MCULE-7422558417 [0,1,0,1,0,0|2,0,0]=4 235 B9R1.69 CC1=CN=C(C=C1O)C MCULE-2922210013 [0,1,0,1,0,0|2,0,0]=4 236 B9R1.69 CC1=CN=C(C=C1O)O MCULE-8334491414 [0,1,0,1,0,0|1,0,1]=4 237 B9R1.69 CC1=NC=C(C(=N1)C)O MCULE-5745658319 [0,1,0,1,0,0|2,0,0]=4 238 B9R1.69 CC1=NN=C(C(=C1)N)C MCULE-4622771801 [0,1,0,1,0,0|2,0,0]=4 239 B9R1.69 CC1=NN=C(C(=C1)N)C MCULE-8305132264 [0,1,0,1,0,0|2,0,0]=4 240 B9R1.69 CC1=NN=C(C(=O)N1)C MCULE-3345491063 [0,1,0,1,0,0|1,0,1]=4 241 B9R1.69 CC1=NN=C(N=C1O)N MCULE-7815417060 [0,1,0,1,0,0|2,0,0]=4 242 B9R1.69 OC1=CC(=C(N=N1)O)Br MCULE-1785056960 [0,1,0,1,0,0|0,0,2]=4 243 B9R1.69 OC1=NN=C(C(=C1)Cl)O MCULE-2672137288 [0,1,0,1,0,0|0,0,2]=4 244 B9R1.69 OC1=NN=C(C(=N1)O)I MCULE-3475765668 [0,1,0,1,0,0|2,0,0]=4 245 B5R0.5 C=C(C)C(=C)C MCULE-6799765242 [0,0,0,0,2,0|2,0,0]=4 246 B5R0.5 C=C(C)C(=O)C MCULE-5872425076 [0,0,0,0,2,0|1,0,1]=4 247 B5R0.5 C=C(C)C(=O)O MCULE-9899621926 [0,0,0,0,2,0|2,0,0]=4 248 B5R0.5 C=C(C)C(C)O MCULE-3768810742 [0,0,0,0,2,0|1,0,1]=4 249 B5R0.5 CC(=C(C)Br)C MCULE-2244219065 [0,0,0,0,2,0|2,0,0]=4 250 B5R0.5 CC(=C(C)C)C MCULE-2888318026 [0,0,0,0,2,0|2,0,0]=4 251 B5R0.5 CC(=O)C(=O)C MCULE-5742661187 [0,0,0,0,2,0|0,0,2]=4 252 B5R0.5 CC(=O)C(=O)O MCULE-8587144313 [0,0,0,0,2,0|1,0,1]=4 253 B5R0.5 CC(=O)C(C)O MCULE-5374414264 [0,0,0,0,2,0|0,0,2]=4 254 B5R0.5 CC(O)C(=O)O MCULE-3922256529 [0,0,0,0,2,0|1,0,1]=4 255 B5R0.5 CC(O)C(=O)O MCULE-5387110670 [0,0,0,0,2,0|1,0,1]=4 256 B5R0.5 CC(O)C(C)O MCULE-2858785316 [0,0,0,0,2,0|0,0,2]=4 257 B5R0.5 C[C@@H](O)C(=O)O MCULE-4625208788 [0,0,0,0,2,0|1,0,1]=4 258 B5R0.5 C[C@@H](O)C(=O)O MCULE-9141235095 [0,0,0,0,2,0|1,0,1]=4 259 B5R0.5 C[C@@H](O)[C@@H](C)O MCULE-2843927827 [0,0,0,0,2,0|0,0,2]=4 260 B5R0.5 C[C@@H](O)[C@@H](C)O MCULE-3739961672 [0,0,0,0,2,0|0,0,2]=4 261 B5R0.5 C[C@@H](O)[C@@H](C)O MCULE-5488313047 [0,0,0,0,2,0|0,0,2]=4 262 B5R0.5 C[C@H](O)C(=O)O MCULE-5695391344 [0,0,0,0,2,0|1,0,1]=4 263 B5R0.5 C[C@H](O)C(=O)O MCULE-8864689875 [0,0,0,0,2,0|1,0,1]=4 264 B5R0.5 C[C@H](O)[C@@H](C)O MCULE-8389904530 [0,0,0,0,2,0|0,0,2]=4 265 B5R0.5 C[C@H](O)[C@H](C)O MCULE-8448870055 [0,0,0,0,2,0|0,0,2]=4 266 B5R0.5 C[C@H](O)[C@H](C)O MCULE-9615630900 [0,0,0,0,2,0|0,0,2]=4 267 B5R0.5 O=C(O)C(=O)O MCULE-2859436444 [0,0,0,0,2,0|2,0,0]=4 268 B5R0.5 O=C(O)C(=O)O MCULE-3054574273 [0,0,0,0,2,0|2,0,0]=4 269 B5R0.5 O=C(O)C(=O)O MCULE-4285591204 [0,0,0,0,2,0|2,0,0]=4 270 B5R0.5 O=C(O)C(=O)O MCULE-4461843798 [0,0,0,0,2,0|2,0,0]=4 271 B5R0.5 O=C(O)C(=O)O MCULE-6031758101 [0,0,0,0,2,0|2,0,0]=4 272 B5R0.5 O=C(O)C(=O)O MCULE-6647815245 [0,0,0,0,2,0|2,0,0]=4 273 B5R0.5 O=C(O)C(=O)O MCULE-7895971003 [0,0,0,0,2,0|2,0,0]=4 274 B5R0.5 O=C(O)C(=O)O MCULE-8046063377 [0,0,0,0,2,0|2,0,0]=4 275 B5R0.5 O=C(O)C(=O)O MCULE-8198551041 [0,0,0,0,2,0|2,0,0]=4 276 B5R0.5 O=C(O)C(=O)O MCULE-8472527874 [0,0,0,0,2,0|2,0,0]=4 277 B5R0.5 O=C(O)C(=O)O MCULE-9701145416 [0,0,0,0,2,0|2,0,0]=4