0 B10R1.54 CC(=O)CC1=CN(N=C1)C MCULE-4318046037 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.54 CC(=O)CC1=NC(=CS1)C MCULE-8200671422 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.54 CC(=O)CC1=NC(=NO1)C MCULE-8613274425 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.54 CC(=O)CC1=NN=C(O1)C MCULE-8232598416 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.54 CC(=O)CC1=NSC(=N1)N MCULE-4621891786 [0,0,0,0,0,0|3,1,0]=4 5 B10R1.54 CC(=O)CN1C=C(C=N1)Br MCULE-4384145659 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.54 CC(=O)CN1C=C(C=N1)Br MCULE-8005603109 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.54 CC(=O)CN1C=C(C=N1)C MCULE-2625946043 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.54 CC(=O)CN1C=C(C=N1)I MCULE-5269122330 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.54 CC(=O)CN1N=NC(=N1)C MCULE-6523162189 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.54 CC(=O)NC1=CC(=NN1)Br MCULE-5094213425 [0,0,0,0,0,0|2,0,1]=3 11 B10R1.54 CC(=O)NC1=CC(=NN1)C MCULE-7028060067 [0,0,0,0,0,0|1,0,1]=2 12 B10R1.54 CC(=O)NC1=CC(=NO1)C MCULE-3252754001 [0,0,0,0,0,0|2,0,0]=2 13 B10R1.54 CC(=O)NC1=CC=C(S1)Br MCULE-2561403972 [0,0,0,0,0,0|4,0,0]=4 14 B10R1.54 CC(=O)NC1=CN(N=C1)C MCULE-4291797588 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.54 CC(=O)NC1=NC(=CN1)C MCULE-5342531167 [0,0,0,0,0,0|2,0,1]=3 16 B10R1.54 CC(=O)NC1=NC(=CS1)Br MCULE-9388622527 [0,0,0,0,0,0|4,0,0]=4 17 B10R1.54 CC(=O)NC1=NC(=CS1)C MCULE-5991874276 [0,0,0,0,0,0|3,0,0]=3 18 B10R1.54 CC(=O)NC1=NC(=CS1)C MCULE-7641150632 [0,0,0,0,0,0|3,0,0]=3 19 B10R1.54 CC(=O)NC1=NC(=CS1)Cl MCULE-2115409805 [0,0,0,0,0,0|4,0,0]=4 20 B10R1.54 CC(=O)NC1=NC(=NN1)C MCULE-9855243200 [0,0,0,0,0,0|2,0,1]=3 21 B10R1.54 CC(=O)NC1=NC(=NS1)C MCULE-9042966253 [0,0,0,0,0,0|3,0,0]=3 22 B10R1.54 CC(=O)NC1=NC=C(S1)Br MCULE-4265845278 [0,0,0,0,0,0|3,0,0]=3 23 B10R1.54 CC(=O)NC1=NC=C(S1)Br MCULE-9027841256 [0,0,0,0,0,0|3,0,0]=3 24 B10R1.54 CC(=O)NC1=NC=C(S1)C MCULE-7761530344 [0,0,0,0,0,0|2,0,0]=2 25 B10R1.54 CC(=O)NC1=NC=C(S1)Cl MCULE-4446080676 [0,0,0,0,0,0|3,0,0]=3 26 B10R1.54 CC(=O)NC1=NC=C(S1)I MCULE-9114497325 [0,0,0,0,0,0|3,0,0]=3 27 B10R1.54 CC(=O)NC1=NCC(S1)C MCULE-9063133528 [0,0,0,0,0,0|2,0,1]=3 28 B10R1.54 CC(=O)NC1=NN=C(O1)C MCULE-1157538888 [0,0,0,0,0,0|2,0,0]=2 29 B10R1.54 CC(=O)NC1=NN=C(S1)Br MCULE-4712369833 [0,0,0,0,0,0|3,0,0]=3 30 B10R1.54 CC(=O)NC1=NN=C(S1)C MCULE-5605320402 [0,0,0,0,0,0|2,0,0]=2 31 B10R1.54 CC(=O)NC1=NN=C(S1)Cl MCULE-3147177598 [0,0,0,0,0,0|3,0,0]=3 32 B10R1.54 CC(=O)NC1=NN=C(S1)S MCULE-7917428119 [0,0,0,0,0,0|3,0,0]=3 33 B10R1.54 CC(=O)NC1=NNC(=N1)N MCULE-4373007610 [0,0,0,0,0,0|3,0,0]=3 34 B10R1.54 CC(=O)NC1=NNC(=O)N1 MCULE-2538942539 [0,0,0,0,0,0|3,0,0]=3 35 B10R1.54 CC(=O)NC1=NOC(=C1)C MCULE-8956319349 [0,0,0,0,0,0|0,0,0]=0 36 B10R1.54 CC(=O)NC1=NOC(=N1)C MCULE-9199022207 [0,0,0,0,0,0|1,0,0]=1 37 B10R1.54 CC(=O)NC1=NSC(=N1)Cl MCULE-9171102270 [0,0,0,0,0,0|2,1,0]=3 38 B10R1.54 CC(=O)NC1=NSC(=N1)N MCULE-3758857452 [0,0,0,0,0,0|2,1,0]=3 39 B10R1.54 CC(=O)OC1=CC(=O)CC1 MCULE-2350469419 [0,0,0,0,0,0|4,0,0]=4 40 B10R1.54 CC(C)CC1=NOC(=C1)N MCULE-2053535296 [0,0,0,0,0,0|3,0,1]=4 41 B10R1.54 CC1=CC(=CS1)CC(=O)O MCULE-8700180303 [0,0,0,0,0,0|3,1,0]=4 42 B10R1.54 CC1=CC(=NN1)CC(=O)O MCULE-9189935482 [0,0,0,0,0,0|3,0,0]=3 43 B10R1.54 CC1=CC(=NN1)CC(C)N MCULE-5515759973 [0,0,0,0,0,0|3,0,1]=4 44 B10R1.54 CC1=CC(=NN1)CC(C)N MCULE-7037307101 [0,0,0,0,0,0|3,0,1]=4 45 B10R1.54 CC1=CC(=NN1)NC(=N)N MCULE-1163157389 [0,0,0,0,0,0|3,0,0]=3 46 B10R1.54 CC1=CC(=NN1)NC(=N)N MCULE-7100576481 [0,0,0,0,0,0|3,0,0]=3 47 B10R1.54 CC1=CC(=NN1)NC(=S)N MCULE-1971391998 [0,0,0,0,0,0|2,1,0]=3 48 B10R1.54 CC1=CC(=NO1)CC(=O)O MCULE-1349935417 [0,0,0,0,0,0|2,0,0]=2 49 B10R1.54 CC1=CC(=NO1)NC(=S)N MCULE-9993879790 [0,0,0,0,0,0|1,1,0]=2 50 B10R1.54 CC1=CN(N=C1)CC(=O)Cl MCULE-6205225218 [0,0,0,0,0,0|4,0,0]=4 51 B10R1.54 CC1=CN(N=C1)CC(=O)Cl MCULE-6974801414 [0,0,0,0,0,0|4,0,0]=4 52 B10R1.54 CC1=CN(N=C1)CC(=O)N MCULE-8178553576 [0,0,0,0,0,0|4,0,0]=4 53 B10R1.54 CC1=CN(N=C1)CC(=O)O MCULE-8368809159 [0,0,0,0,0,0|4,0,0]=4 54 B10R1.54 CC1=CN(N=N1)CC(=O)O MCULE-8144480381 [0,0,0,0,0,0|4,0,0]=4 55 B10R1.54 CC1=CSC(=C1)CC(=O)O MCULE-6328016056 [0,0,0,0,0,0|4,0,0]=4 56 B10R1.54 CC1=NC(=CO1)CC(=O)O MCULE-1242473080 [0,0,0,0,0,0|4,0,0]=4 57 B10R1.54 CC1=NC(=NN1)CC(=O)O MCULE-9938800176 [0,0,0,0,0,0|4,0,0]=4 58 B10R1.54 CC1=NC(=NN1)NN(=O)=O MCULE-8608884809 [0,0,0,0,0,0|4,0,0]=4 59 B10R1.54 CC1=NC(=NO1)CC(=O)O MCULE-8957143633 [0,0,0,0,0,0|3,0,0]=3 60 B10R1.54 CC1=NC(=NO1)CN(C)C MCULE-9671919100 [0,0,0,0,0,0|4,0,0]=4 61 B10R1.54 CC1=NN=C(O1)CC(=O)O MCULE-8034510053 [0,0,0,0,0,0|4,0,0]=4 62 B10R1.54 CC1=NN=C(O1)CC(=O)[O-] MCULE-3275682582 [0,0,0,0,0,0|4,0,0]=4 63 B10R1.54 CC1=NN=C(S1)CC(=O)O MCULE-7109323940 [0,0,0,0,0,0|4,0,0]=4 64 B10R1.54 CC1=NN=C(S1)CC(=O)[O-] MCULE-6579202308 [0,0,0,0,0,0|4,0,0]=4 65 B10R1.54 CC1=NN=C(S1)NC(=S)N MCULE-3037464426 [0,0,0,0,0,0|3,1,0]=4 66 B10R1.54 CC1=NN=C(S1)NC(C)C MCULE-7920925236 [0,0,0,0,0,0|3,0,1]=4 67 B10R1.54 CC1=NN=C(S1)NN(=O)=O MCULE-8118023483 [0,0,0,0,0,0|4,0,0]=4 68 B10R1.54 CC1=NNC(=C1)CC(=O)O MCULE-4936433367 [0,0,0,0,0,0|3,0,1]=4 69 B10R1.54 CC1=NOC(=C1)CC(=O)Cl MCULE-4685295417 [0,0,0,0,0,0|4,0,0]=4 70 B10R1.54 CC1=NOC(=C1)CC(=O)O MCULE-1458938389 [0,0,0,0,0,0|4,0,0]=4 71 B10R1.54 CC1=NSC(=C1)CC(=O)O MCULE-5761974818 [0,0,0,0,0,0|4,0,0]=4 72 B10R1.54 CN1C=C(C=N1)NC(=O)N MCULE-7365046832 [0,0,0,0,0,0|4,0,0]=4 73 B10R1.54 CN1C=C(N=N1)CC(=O)O MCULE-6860538436 [0,0,0,0,0,0|4,0,0]=4 74 B10R1.54 CN1C=C(N=N1)CC(=O)O MCULE-9755797612 [0,0,0,0,0,0|4,0,0]=4 75 B10R1.54 CN1C=NC(=C1)CC(=O)O MCULE-3578579487 [0,0,0,0,0,0|4,0,0]=4 76 B10R1.54 CN1C=NC(=C1)CC(=O)O MCULE-5475235258 [0,0,0,0,0,0|4,0,0]=4 77 B10R1.54 NC(=O)NC1=CC(=O)OC1 MCULE-9915903766 [0,0,0,0,0,0|3,0,0]=3 78 B10R1.54 O=C(O)CC1=NOC(=C1)O MCULE-4414347304 [0,0,0,0,0,0|3,0,0]=3 79 B10R1.54 O=C(O)C[N+]1=NOC(=C1)[O-] MCULE-7945972072 [0,0,0,0,0,0|4,0,0]=4 80 B9R1.7 CC#CC1=NNC(=C1)C MCULE-2045061440 [1,0,0,0,0,0|2,0,1]=4 81 B9R1.7 CC1=CC(=NO1)CC#N MCULE-3751957154 [1,0,0,0,0,0|2,0,1]=4 82 B9R1.7 CC1=CC(=NO1)CCCl MCULE-5084399061 [1,0,0,0,0,0|2,0,1]=4 83 B9R1.7 CC1=CC(=NO1)CCN MCULE-6205585719 [1,0,0,0,0,0|2,0,1]=4 84 B9R1.7 CC1=CC(=NO1)CCN MCULE-9668671582 [1,0,0,0,0,0|2,0,1]=4 85 B9R1.7 CC1=CC(=NO1)CON MCULE-3436780279 [1,0,0,0,0,0|3,0,0]=4 86 B9R1.7 CC1=CC(=NO1)CON MCULE-5107057583 [1,0,0,0,0,0|3,0,0]=4 87 B9R1.7 CC1=CN(N=C1)CC=O MCULE-7757695563 [1,0,0,0,0,0|3,0,0]=4 88 B9R1.7 CCCC1=NOC(=C1)N MCULE-4238226126 [1,0,0,0,0,0|2,0,1]=4 89 B9R1.7 CCOC1=NOC(=C1)C MCULE-5558887415 [1,0,0,0,0,0|1,0,1]=3 90 B9R1.7 CNCC1=NOC(=C1)C MCULE-2665624345 [1,0,0,0,0,0|2,0,0]=3 91 B9R1.7 CNCC1=NOC(=N1)C MCULE-1724814974 [1,0,0,0,0,0|3,0,0]=4 92 B9R1.7 CNCC1=NOC(=N1)C MCULE-4389713993 [1,0,0,0,0,0|3,0,0]=4 93 B9R1.7 COCC1=NNC(=C1)C MCULE-5379239093 [1,0,0,0,0,0|3,0,0]=4 94 B9R1.7 COCC1=NOC(=C1)N MCULE-1179729917 [1,0,0,0,0,0|3,0,0]=4 95 B9R1.7 COCC1=NOC(=N1)C MCULE-8153928809 [1,0,0,0,0,0|3,0,0]=4 96 B9R1.13 CC(=O)CC1=CC=CO1 MCULE-3781634843 [1,0,0,0,0,0|3,0,0]=4 97 B9R1.13 CC(=O)CC1=CC=CS1 MCULE-9004703203 [1,0,0,0,0,0|3,0,0]=4 98 B9R1.13 CC(=O)CC1=CC=NO1 MCULE-9545444993 [1,0,0,0,0,0|3,0,0]=4 99 B9R1.13 CC(=O)CC1=COC=C1 MCULE-2428760368 [1,0,0,0,0,0|2,0,0]=3 100 B9R1.13 CC(=O)CC1=CSC=C1 MCULE-1364443363 [1,0,0,0,0,0|2,1,0]=4 101 B9R1.13 CC(=O)CN1C=CC=N1 MCULE-2312268519 [1,0,0,0,0,0|3,0,0]=4 102 B9R1.13 CC(=O)CN1C=CC=N1 MCULE-7407119287 [1,0,0,0,0,0|3,0,0]=4 103 B9R1.13 CC(=O)NC1=CC=CO1 MCULE-6766243633 [1,0,0,0,0,0|2,0,0]=3 104 B9R1.13 CC(=O)NC1=CC=CS1 MCULE-2977108636 [1,0,0,0,0,0|2,0,0]=3 105 B9R1.13 CC(=O)NC1=CC=NN1 MCULE-2847031032 [1,0,0,0,0,0|1,0,1]=3 106 B9R1.13 CC(=O)NC1=CNN=C1 MCULE-9362671115 [1,0,0,0,0,0|3,0,0]=4 107 B9R1.13 CC(=O)NC1=CON=C1 MCULE-3612409333 [1,0,0,0,0,0|2,0,0]=3 108 B9R1.13 CC(=O)NC1=CSC=C1 MCULE-4876700541 [1,0,0,0,0,0|1,1,0]=3 109 B9R1.13 CC(=O)NC1=NC=CN1 MCULE-1210151356 [1,0,0,0,0,0|2,0,0]=3 110 B9R1.13 CC(=O)NC1=NC=CS1 MCULE-2195241325 [1,0,0,0,0,0|2,0,0]=3 111 B9R1.13 CC(=O)NC1=NN=CS1 MCULE-3760610106 [1,0,0,0,0,0|2,0,0]=3 112 B9R1.13 CC(=O)NC1=NN=NN1 MCULE-1398644517 [1,0,0,0,0,0|3,0,0]=4 113 B9R1.13 CC(=O)NC1=NNC=N1 MCULE-6389186113 [1,0,0,0,0,0|2,0,0]=3 114 B9R1.13 NC(=S)NC1=NNC=C1 MCULE-8427893759 [1,0,0,0,0,0|2,1,0]=4 115 B9R1.13 O=C(O)CC1=COC=C1 MCULE-9657437511 [1,0,0,0,0,0|3,0,0]=4 116 B9R1.13 O=C(O)CC1=NOC=C1 MCULE-9033104587 [1,0,0,0,0,0|2,0,0]=3 117 B11R1.39 C=CC(=O)NC1=NOC(=C1)C MCULE-6340739239 [0,1,0,0,0,0|0,0,1]=2 118 B11R1.39 CC1=CC(=NN1)NC(=O)CCl MCULE-1588534847 [0,1,0,0,0,0|1,0,0]=2 119 B11R1.39 CC1=CC(=NO1)NC(=O)CBr MCULE-8818682837 [0,1,0,0,0,0|0,0,0]=1 120 B11R1.39 CC1=CC(=NO1)NC(=O)CCl MCULE-3114783007 [0,1,0,0,0,0|0,0,0]=1 121 B11R1.39 CC1=CC(=NO1)NC(=O)CN MCULE-1612288859 [0,1,0,0,0,0|0,0,0]=1 122 B11R1.39 CC1=CC(=NO1)NC(=O)CN MCULE-4956482243 [0,1,0,0,0,0|0,0,0]=1 123 B11R1.39 CC1=CN=C(S1)NC(=O)CCl MCULE-7479746750 [0,1,0,0,0,0|2,0,0]=3 124 B11R1.39 CC1=CSC(=N1)NC(=O)CCl MCULE-7600412154 [0,1,0,0,0,0|3,0,0]=4 125 B11R1.39 CC1=CSC(=N1)NC(=O)CCl MCULE-8800316225 [0,1,0,0,0,0|3,0,0]=4 126 B11R1.39 CC1=CSC(=N1)NC(=O)CN MCULE-1984303502 [0,1,0,0,0,0|3,0,0]=4 127 B11R1.39 CC1=CSC(=N1)NC(=O)CN MCULE-3145627325 [0,1,0,0,0,0|3,0,0]=4 128 B11R1.39 CC1=CSC(=N1)NC(=O)CS MCULE-9223899017 [0,1,0,0,0,0|3,0,0]=4 129 B11R1.39 CC1=NC(=NO1)NC(=O)NN MCULE-8522672202 [0,1,0,0,0,0|2,0,0]=3 130 B11R1.39 CC1=NN=C(S1)NC(=O)CCl MCULE-6030420885 [0,1,0,0,0,0|2,0,0]=3 131 B11R1.39 CC1=NOC(=C1)NC(=O)CCl MCULE-4062209097 [0,1,0,0,0,0|2,0,0]=3 132 B11R1.39 CC1=NOC(=C1)NC(=O)CN MCULE-5324738983 [0,1,0,0,0,0|2,0,0]=3 133 B11R1.39 CC1=NOC(=C1)NC(=O)CN MCULE-5823266547 [0,1,0,0,0,0|2,0,0]=3 134 B11R1.39 CCC(=O)NC1=NN(N=N1)C MCULE-2737736856 [0,1,0,0,0,0|3,0,0]=4 135 B11R1.39 CCC(=O)NC1=NN=C(S1)C MCULE-5832141893 [0,1,0,0,0,0|2,0,0]=3 136 B11R1.39 CCC(=O)NC1=NN=C(S1)S MCULE-9432128403 [0,1,0,0,0,0|3,0,0]=4 137 B11R1.39 CCC(=O)NC1=NOC(=C1)C MCULE-6602281109 [0,1,0,0,0,0|0,0,0]=1 138 B11R1.39 CN1C=C(C=N1)NC(=O)CCl MCULE-6552613628 [0,1,0,0,0,0|3,0,0]=4 139 B11R1.39 COC(=O)CC1=CC(=NO1)C MCULE-9603218290 [0,1,0,0,0,0|3,0,0]=4 140 B11R1.39 COC(=O)CC1=CN(C=N1)C MCULE-4078622706 [0,1,0,0,0,0|3,0,0]=4 141 B11R1.39 COC(=O)CC1=NN=C(O1)C MCULE-3327777351 [0,1,0,0,0,0|3,0,0]=4 142 B11R1.39 COC(=O)CC1=NN=C(S1)C MCULE-4410631982 [0,1,0,0,0,0|3,0,0]=4 143 B11R1.39 COC(=O)CC1=NNC(=C1)C MCULE-7535877889 [0,1,0,0,0,0|2,0,0]=3 144 B11R1.39 COC(=O)CC1=NOC(=C1)C MCULE-9399496830 [0,1,0,0,0,0|1,0,0]=2 145 B11R1.39 COC(=O)CC1=NOC(=O)C1 MCULE-4251427294 [0,1,0,0,0,0|2,0,1]=4 146 B11R1.39 COC(=O)NC1=NN=C(S1)S MCULE-9107993450 [0,1,0,0,0,0|3,0,0]=4 147 B11R1.43 CC(=O)NC1=NC(=CS1)CCl MCULE-3274689992 [0,1,0,0,0,0|3,0,0]=4 148 B11R1.43 CC(=O)NC1=NC(=CS1)CF MCULE-4599778891 [0,1,0,0,0,0|3,0,0]=4 149 B11R1.43 CC(=O)NC1=NC(=CS1)CN MCULE-8232115372 [0,1,0,0,0,0|3,0,0]=4 150 B11R1.43 CC(=O)NC1=NC(=CS1)CO MCULE-8198645039 [0,1,0,0,0,0|3,0,0]=4 151 B11R1.43 CC(=O)NC1=NC=C(S1)C#N MCULE-2323268387 [0,1,0,0,0,0|2,0,1]=4 152 B11R1.43 CC(=O)NC1=NC=C(S1)C=O MCULE-3836777254 [0,1,0,0,0,0|2,0,1]=4 153 B11R1.43 CC(=O)NC1=NN=C(S1)CN MCULE-6603156073 [0,1,0,0,0,0|2,0,0]=3 154 B11R1.43 CC(=O)NC1=NN=C(S1)CN MCULE-8864346212 [0,1,0,0,0,0|2,0,0]=3 155 B11R1.43 CC(C)CC1=NOC(=C1)CN MCULE-2476661974 [0,1,0,0,0,0|2,0,1]=4 156 B11R1.43 CC(C)CC1=NOC(=C1)CN MCULE-2970439493 [0,1,0,0,0,0|2,0,1]=4 157 B11R1.43 CC(C)CC1=NOC(=C1)CO MCULE-1697346370 [0,1,0,0,0,0|2,0,1]=4 158 B11R1.43 CCC1=CN=C(S1)NC(=O)C MCULE-3973405996 [0,1,0,0,0,0|2,0,0]=3 159 B11R1.43 CCC1=CNC(=N1)NC(=O)C MCULE-6675091521 [0,1,0,0,0,0|2,0,1]=4 160 B11R1.43 CCC1=NN=C(S1)NC(=O)C MCULE-1668552475 [0,1,0,0,0,0|2,0,0]=3 161 B11R1.43 CCN1N=NC(=N1)NC(=O)C MCULE-5376438604 [0,1,0,0,0,0|3,0,0]=4 162 B11R1.43 CNC1=NC(=NS1)CC(=O)C MCULE-6168696686 [0,1,0,0,0,0|2,1,0]=4 163 B11R1.43 CSC1=NN=C(S1)NC(=O)C MCULE-3823445414 [0,1,0,0,0,0|2,0,0]=3 164 B11R1.43 CSC1=NNC(=N1)NC(=O)C MCULE-8444448711 [0,1,0,0,0,0|2,0,1]=4 165 B11R1.43 CSC1=NSC(=N1)NC(=O)C MCULE-4281262407 [0,1,0,0,0,0|3,0,0]=4 166 B11R1.43 NCC1=NC(=NO1)CC(=O)N MCULE-1115108822 [0,1,0,0,0,0|3,0,0]=4 167 B11R1.43 NCC1=NC(=NO1)CC(=O)N MCULE-5078686424 [0,1,0,0,0,0|3,0,0]=4 168 B11R1.43 NCC1=NC(=NO1)CC(=O)N MCULE-6398828535 [0,1,0,0,0,0|3,0,0]=4 169 B11R1.43 OCC1=CC(=NO1)C=C(Cl)Cl MCULE-2202843572 [0,1,0,0,0,0|3,0,0]=4 170 B11R1.76 CC1=CC(=NO1)CS(=O)(=O)Cl MCULE-4950585690 [0,1,0,0,0,0|3,0,0]=4 171 B11R1.76 CC1=CC(=NO1)CS(=O)(=O)F MCULE-9365941350 [0,1,0,0,0,0|3,0,0]=4 172 B11R1.76 CC1=CC(=NO1)CS(=O)(=O)N MCULE-9558618564 [0,1,0,0,0,0|3,0,0]=4 173 B11R1.76 CC1=NN=C(S1)NS(=O)(=O)C MCULE-4858060726 [0,1,0,0,0,0|3,0,0]=4 174 B11R1.80 CC(=O)NC1=CC(=C(S1)C)C MCULE-1972698835 [0,1,0,0,0,0|2,0,0]=3 175 B11R1.80 CC(=O)NC1=NC(=C(N1)C)C MCULE-9315521913 [0,1,0,0,0,0|2,0,0]=3 176 B11R1.80 CC(=O)NC1=NC(=C(S1)Br)C MCULE-6747065673 [0,1,0,0,0,0|3,0,0]=4 177 B11R1.80 CC(=O)NC1=NC(=C(S1)C)Br MCULE-4543876723 [0,1,0,0,0,0|2,0,0]=3 178 B11R1.80 CC(=O)NC1=NC(=C(S1)C)C MCULE-3259265888 [0,1,0,0,0,0|2,0,0]=3 179 B11R1.80 CC(=O)NC1=NC(=C(S1)Cl)C MCULE-6128553389 [0,1,0,0,0,0|3,0,0]=4 180 B11R1.80 CC(=O)NC1=NC(=C(S1)I)C MCULE-8350717944 [0,1,0,0,0,0|3,0,0]=4 181 B11R1.80 CC(=O)NC1=NC(=O)C(S1)C MCULE-6588680850 [0,1,0,0,0,0|2,0,1]=4 182 B11R1.80 CC(=S)NC1=CC(=C(S1)C)C MCULE-1061300013 [0,1,0,0,0,0|2,1,0]=4 183 B11R1.80 CC1=CC(=NN1C)CC(=O)O MCULE-8403815648 [0,1,0,0,0,0|3,0,0]=4 184 B11R1.313 CC(=N)NC1=C(C(=NN1)C)Br MCULE-3583498224 [0,1,0,0,0,0|2,0,1]=4 185 B11R1.313 CC(=O)NC1=C(C(=NN1)Br)Br MCULE-7058847500 [0,1,0,0,0,0|2,0,1]=4 186 B11R1.313 CC(=O)NC1=C(N(N=C1)C)C MCULE-4007738506 [0,1,0,0,0,0|3,0,0]=4 187 B11R1.313 CC(=O)NC1=NOC(=C1Br)C MCULE-7245953840 [0,1,0,0,0,0|0,0,0]=1 188 B11R1.314 CC1=CC(=NO1)C(=O)N(C)C MCULE-4056756222 [0,1,0,0,0,0|3,0,0]=4 189 B11R1.645 CC(=O)NC1=CC(=NN1C)C MCULE-6248877987 [0,1,0,0,0,0|1,0,1]=3 190 B9R0.53 CC(=O)CC(=O)NC(=O)C MCULE-5043942110 [0,0,1,0,0,0|1,0,2]=4 191 B9R0.53 CC(=O)NC(=O)NC(=O)C MCULE-1033848283 [0,0,1,0,0,0|2,0,1]=4 192 B9R1.35 CC(=O)C1=CC(=CN1)Br MCULE-1136298079 [0,0,0,0,1,0|2,0,1]=4 193 B9R1.35 CC(=O)C1=CC(=CN1)I MCULE-9825256917 [0,0,0,0,1,0|2,0,1]=4 194 B9R1.35 CC(=O)C1=CC(=CS1)Br MCULE-1168801768 [0,0,0,0,1,0|3,0,0]=4 195 B9R1.35 CC(=O)C1=CC(=CS1)C MCULE-2062206035 [0,0,0,0,1,0|2,0,0]=3 196 B9R1.35 CC(=O)C1=CC(=CS1)Cl MCULE-6819150292 [0,0,0,0,1,0|3,0,0]=4 197 B9R1.35 CC(=O)C1=CC(=CS1)N MCULE-2680395626 [0,0,0,0,1,0|3,0,0]=4 198 B9R1.35 CC(=O)C1=CC(=NN1)C MCULE-1737620160 [0,0,0,0,1,0|1,0,1]=3 199 B9R1.35 CC(=O)C1=CC(=NN1)N MCULE-7916886776 [0,0,0,0,1,0|2,0,1]=4 200 B9R1.35 CC(=O)C1=CC(=NN1)N MCULE-9458933053 [0,0,0,0,1,0|2,0,1]=4 201 B9R1.35 CC(=O)C1=CC(=NO1)Br MCULE-2447097756 [0,0,0,0,1,0|3,0,0]=4 202 B9R1.35 CC(=O)C1=CC(=NO1)C MCULE-4343959902 [0,0,0,0,1,0|2,0,0]=3 203 B9R1.35 CC(=O)C1=CC(=NS1)C MCULE-3586371676 [0,0,0,0,1,0|2,0,0]=3 204 B9R1.35 CC(=O)C1=CC=C(N1)C MCULE-3720570668 [0,0,0,0,1,0|3,0,0]=4 205 B9R1.35 CC(=O)C1=CC=C(O1)C MCULE-9973272981 [0,0,0,0,1,0|3,0,0]=4 206 B9R1.35 CC(=O)C1=CC=C(S1)C MCULE-5218961667 [0,0,0,0,1,0|3,0,0]=4 207 B9R1.35 CC(=O)C1=CN(C=C1)C MCULE-9521509861 [0,0,0,0,1,0|3,0,0]=4 208 B9R1.35 CC(=O)C1=CN(C=N1)C MCULE-1478441231 [0,0,0,0,1,0|2,0,0]=3 209 B9R1.35 CC(=O)C1=CN(N=C1)C MCULE-2104273429 [0,0,0,0,1,0|3,0,0]=4 210 B9R1.35 CC(=O)C1=CN(N=N1)C MCULE-7250768393 [0,0,0,0,1,0|2,0,0]=3 211 B9R1.35 CC(=O)C1=CN=C(N1)C MCULE-1404378441 [0,0,0,0,1,0|3,0,0]=4 212 B9R1.35 CC(=O)C1=CN=C(S1)C MCULE-4356350153 [0,0,0,0,1,0|3,0,0]=4 213 B9R1.35 CC(=O)C1=CNC(=C1)Br MCULE-2967980252 [0,0,0,0,1,0|3,0,0]=4 214 B9R1.35 CC(=O)C1=CNC(=C1)C MCULE-4421020533 [0,0,0,0,1,0|2,0,0]=3 215 B9R1.35 CC(=O)C1=COC(=N1)C MCULE-4294680133 [0,0,0,0,1,0|2,0,0]=3 216 B9R1.35 CC(=O)C1=CSC(=C1)Br MCULE-5063599096 [0,0,0,0,1,0|2,1,0]=4 217 B9R1.35 CC(=O)C1=CSC(=C1)C MCULE-3547711889 [0,0,0,0,1,0|1,1,0]=3 218 B9R1.35 CC(=O)C1=CSC(=C1)Cl MCULE-8295872194 [0,0,0,0,1,0|2,1,0]=4 219 B9R1.35 CC(=O)C1=CSC(=N1)C MCULE-2707912927 [0,0,0,0,1,0|2,1,0]=4 220 B9R1.35 CC(=O)C1=NC(=CN1)C MCULE-3694876585 [0,0,0,0,1,0|2,0,1]=4 221 B9R1.35 CC(=O)C1=NC(=CO1)C MCULE-5098584860 [0,0,0,0,1,0|3,0,0]=4 222 B9R1.35 CC(=O)C1=NC(=CS1)C MCULE-5388443813 [0,0,0,0,1,0|3,0,0]=4 223 B9R1.35 CC(=O)C1=NC=C(N1)Br MCULE-2972118038 [0,0,0,0,1,0|3,0,0]=4 224 B9R1.35 CC(=O)C1=NC=C(N1)Br MCULE-9001917058 [0,0,0,0,1,0|3,0,0]=4 225 B9R1.35 CC(=O)C1=NC=C(S1)Br MCULE-4033755627 [0,0,0,0,1,0|3,0,0]=4 226 B9R1.35 CC(=O)C1=NC=C(S1)C MCULE-6562948673 [0,0,0,0,1,0|2,0,0]=3 227 B9R1.35 CC(=O)C1=NC=C(S1)Cl MCULE-4672927003 [0,0,0,0,1,0|3,0,0]=4 228 B9R1.35 CC(=O)C1=NN(C=N1)C MCULE-7459335697 [0,0,0,0,1,0|3,0,0]=4 229 B9R1.35 CC(=O)C1=NOC(=C1)C MCULE-1344188372 [0,0,0,0,1,0|0,0,0]=1 230 B9R1.35 CC(=O)C1=NOC(=C1)N MCULE-2906006146 [0,0,0,0,1,0|1,0,0]=2 231 B9R1.35 CC(=O)C1=NOC(=N1)C MCULE-5052771302 [0,0,0,0,1,0|1,0,0]=2 232 B9R1.35 CC(=O)N1C=C(C=N1)I MCULE-7185534624 [0,0,0,0,1,0|3,0,0]=4 233 B9R1.35 CC(C)C1=NOC(=C1)N MCULE-7389346145 [0,0,0,0,1,0|2,0,1]=4 234 B9R1.35 CC1=CC(=CN1)C(=O)O MCULE-4982775315 [0,0,0,0,1,0|3,0,0]=4 235 B9R1.35 CC1=CC(=CO1)C(=O)O MCULE-3833413693 [0,0,0,0,1,0|2,0,0]=3 236 B9R1.35 CC1=CC(=CS1)C(=O)Cl MCULE-5698540738 [0,0,0,0,1,0|2,1,0]=4 237 B9R1.35 CC1=CC(=CS1)C(=O)O MCULE-5909428849 [0,0,0,0,1,0|2,1,0]=4 238 B9R1.35 CC1=CC(=NN1)C(=O)N MCULE-3289950808 [0,0,0,0,1,0|2,0,0]=3 239 B9R1.35 CC1=CC(=NN1)C(=S)N MCULE-7997861478 [0,0,0,0,1,0|2,1,0]=4 240 B9R1.35 CC1=CC(=NO1)C(=N)N MCULE-2659162464 [0,0,0,0,1,0|2,0,0]=3 241 B9R1.35 CC1=CC(=NO1)C(=N)N MCULE-3778862956 [0,0,0,0,1,0|2,0,0]=3 242 B9R1.35 CC1=CC(=NO1)C(=O)Cl MCULE-3447259205 [0,0,0,0,1,0|1,0,0]=2 243 B9R1.35 CC1=CC(=NO1)C(=O)N MCULE-3657342744 [0,0,0,0,1,0|1,0,0]=2 244 B9R1.35 CC1=CC(=NO1)C(=O)O MCULE-5247185976 [0,0,0,0,1,0|1,0,0]=2 245 B9R1.35 CC1=CC(=NO1)C(=S)N MCULE-3836939920 [0,0,0,0,1,0|1,1,0]=3 246 B9R1.35 CC1=CC(=NO1)C(C)N MCULE-3738452722 [0,0,0,0,1,0|1,0,1]=3 247 B9R1.35 CC1=CC(=NO1)C(C)O MCULE-3260208762 [0,0,0,0,1,0|0,0,2]=3 248 B9R1.35 CC1=CC(=NO1)N(C)C MCULE-6136665218 [0,0,0,0,1,0|2,0,0]=3 249 B9R1.35 CC1=CC(=NO1)[C@@H](C)N MCULE-1523191489 [0,0,0,0,1,0|1,0,1]=3 250 B9R1.35 CC1=CC(=NO1)[C@@H](C)N MCULE-4686167575 [0,0,0,0,1,0|1,0,1]=3 251 B9R1.35 CC1=CC(=NO1)[C@H](C)O MCULE-8890946491 [0,0,0,0,1,0|0,0,2]=3 252 B9R1.35 CC1=CC(=NS1)C(=O)O MCULE-7973412349 [0,0,0,0,1,0|1,1,0]=3 253 B9R1.35 CC1=CN=C(O1)C(=O)O MCULE-5426414000 [0,0,0,0,1,0|3,0,0]=4 254 B9R1.35 CC1=CN=C(O1)C(=O)[O-] MCULE-8127904610 [0,0,0,0,1,0|3,0,0]=4 255 B9R1.35 CC1=CN=C(O1)C(=O)[O-] MCULE-8932616993 [0,0,0,0,1,0|3,0,0]=4 256 B9R1.35 CC1=CN=C(S1)C(=O)Cl MCULE-2631635859 [0,0,0,0,1,0|3,0,0]=4 257 B9R1.35 CC1=CN=C(S1)C(=O)O MCULE-9124687390 [0,0,0,0,1,0|3,0,0]=4 258 B9R1.35 CC1=CN=C(S1)C(=O)[O-] MCULE-1565027468 [0,0,0,0,1,0|3,0,0]=4 259 B9R1.35 CC1=CNC(=C1)C(=O)O MCULE-7059587168 [0,0,0,0,1,0|2,0,1]=4 260 B9R1.35 CC1=COC(=C1)C(=O)O MCULE-9747579066 [0,0,0,0,1,0|3,0,0]=4 261 B9R1.35 CC1=CSC(=C1)C(=O)Cl MCULE-8262207336 [0,0,0,0,1,0|3,0,0]=4 262 B9R1.35 CC1=CSC(=C1)C(=O)N MCULE-4237115420 [0,0,0,0,1,0|3,0,0]=4 263 B9R1.35 CC1=CSC(=C1)C(=O)O MCULE-6801775447 [0,0,0,0,1,0|3,0,0]=4 264 B9R1.35 CC1=NC(=CO1)C(=O)Cl MCULE-1843828276 [0,0,0,0,1,0|3,0,0]=4 265 B9R1.35 CC1=NC(=CO1)C(=O)N MCULE-1149673903 [0,0,0,0,1,0|3,0,0]=4 266 B9R1.35 CC1=NC(=CO1)C(=O)O MCULE-5941440614 [0,0,0,0,1,0|3,0,0]=4 267 B9R1.35 CC1=NC(=NN1)C(=O)[O-] MCULE-7429777488 [0,0,0,0,1,0|3,0,0]=4 268 B9R1.35 CC1=NC(=NO1)C(=O)O MCULE-3452438122 [0,0,0,0,1,0|2,0,0]=3 269 B9R1.35 CC1=NC(=NO1)C(=O)[O-] MCULE-7820337430 [0,0,0,0,1,0|2,0,0]=3 270 B9R1.35 CC1=NC(=NO1)C(C)Cl MCULE-8048239411 [0,0,0,0,1,0|2,0,1]=4 271 B9R1.35 CC1=NC(=NO1)C(C)N MCULE-4900913072 [0,0,0,0,1,0|2,0,1]=4 272 B9R1.35 CC1=NC(=NO1)C(C)N MCULE-6918739673 [0,0,0,0,1,0|2,0,1]=4 273 B9R1.35 CC1=NC(=NO1)C(C)O MCULE-2576778680 [0,0,0,0,1,0|1,0,2]=4 274 B9R1.35 CC1=NC(=NO1)[C@@H](C)N MCULE-1622195582 [0,0,0,0,1,0|2,0,1]=4 275 B9R1.35 CC1=NC(=NO1)[C@@H](C)N MCULE-6176813868 [0,0,0,0,1,0|2,0,1]=4 276 B9R1.35 CC1=NN=C(O1)C(=O)O MCULE-7165747305 [0,0,0,0,1,0|3,0,0]=4 277 B9R1.35 CC1=NN=C(O1)C(=O)[O-] MCULE-6480208427 [0,0,0,0,1,0|3,0,0]=4 278 B9R1.35 CC1=NN=C(S1)C(=O)O MCULE-5693293495 [0,0,0,0,1,0|3,0,0]=4 279 B9R1.35 CC1=NN=C(S1)C(=O)[O-] MCULE-4538377237 [0,0,0,0,1,0|3,0,0]=4 280 B9R1.35 CC1=NN=C(S1)C(=O)[O-] MCULE-8158376734 [0,0,0,0,1,0|3,0,0]=4 281 B9R1.35 CC1=NNC(=C1)C(=O)O MCULE-9971793748 [0,0,0,0,1,0|2,0,1]=4 282 B9R1.35 CC1=NOC(=C1)C(=O)Cl MCULE-5917107050 [0,0,0,0,1,0|3,0,0]=4 283 B9R1.35 CC1=NOC(=C1)C(=O)N MCULE-6678237651 [0,0,0,0,1,0|3,0,0]=4 284 B9R1.35 CC1=NOC(=C1)C(=O)O MCULE-2998502701 [0,0,0,0,1,0|3,0,0]=4 285 B9R1.35 CC1=NSC(=C1)C(=O)O MCULE-7076994703 [0,0,0,0,1,0|3,0,0]=4 286 B9R1.35 CC1CC(=NO1)C(=O)O MCULE-8733803647 [0,0,0,0,1,0|1,0,2]=4 287 B9R1.35 CN1C=C(N=N1)C(=O)N MCULE-5732407238 [0,0,0,0,1,0|3,0,0]=4 288 B9R1.35 CN1C=C(N=N1)C(=O)O MCULE-4712753107 [0,0,0,0,1,0|3,0,0]=4 289 B9R1.35 CN1C=NC(=C1)C(=O)N MCULE-8189346957 [0,0,0,0,1,0|3,0,0]=4 290 B9R1.35 CN1C=NC(=C1)C(=O)O MCULE-6425519215 [0,0,0,0,1,0|3,0,0]=4 291 B9R1.35 NC(=O)C1=COC(=C1)Br MCULE-5622241125 [0,0,0,0,1,0|3,0,0]=4 292 B9R1.35 NC(=O)C1=NNC(=C1)F MCULE-7738314232 [0,0,0,0,1,0|3,0,0]=4 293 B9R1.35 NC(=O)C1=NNC(=C1)N MCULE-1398772840 [0,0,0,0,1,0|3,0,0]=4 294 B9R1.35 NC(=O)C1=NNC(=C1)N MCULE-9331505515 [0,0,0,0,1,0|3,0,0]=4 295 B9R1.35 NC1=CC(=NN1)C(=O)O MCULE-9614770025 [0,0,0,0,1,0|3,0,0]=4 296 B9R1.35 O=C(O)C1=COC(=C1)Br MCULE-1089920498 [0,0,0,0,1,0|3,0,0]=4 297 B9R1.35 O=C(O)C1=COC(=C1)Cl MCULE-2469235944 [0,0,0,0,1,0|3,0,0]=4 298 B9R1.35 O=C(O)C1=NNC(=C1)Br MCULE-7119502457 [0,0,0,0,1,0|3,0,0]=4 299 B9R1.35 O=C(O)C1=NNC(=C1)Cl MCULE-1848969347 [0,0,0,0,1,0|3,0,0]=4 300 B9R1.35 O=C(O)C1=NNC(=C1)I MCULE-2058971552 [0,0,0,0,1,0|3,0,0]=4 301 B9R1.35 O=C(O)C1=NOC(=C1)Cl MCULE-3208024268 [0,0,0,0,1,0|2,0,0]=3 302 B9R1.35 O=C(O)C1=NOC(=C1)I MCULE-9975628012 [0,0,0,0,1,0|2,0,0]=3 303 B9R1.35 O=C(O)C1=NSC(=C1)Br MCULE-6900768660 [0,0,0,0,1,0|2,1,0]=4 304 B9R1.35 O=C1NC(=NO1)C(=O)O MCULE-5897124585 [0,0,0,0,1,0|3,0,0]=4 305 B11R1.20 C=C(C)CC1=CC=C(C=N1)C MCULE-5966188726 [0,0,0,0,0,1|3,0,0]=4 306 B11R1.20 CC(=O)CC1=CC=C(C=C1)C MCULE-9432147559 [0,0,0,0,0,1|3,0,0]=4 307 B11R1.20 CC(=O)CC1=CC=C(C=N1)C MCULE-1729331146 [0,0,0,0,0,1|2,0,0]=3 308 B11R1.20 CC(=O)NC1=CC=C(C=C1)Br MCULE-6298046548 [0,0,0,0,0,1|3,0,0]=4 309 B11R1.20 CC(=O)NC1=CC=C(C=C1)C MCULE-9865765879 [0,0,0,0,0,1|2,0,0]=3 310 B11R1.20 CC(=O)NC1=CC=C(C=C1)Cl MCULE-5567013952 [0,0,0,0,0,1|3,0,0]=4 311 B11R1.20 CC(=O)NC1=CC=C(C=C1)F MCULE-8073383231 [0,0,0,0,0,1|3,0,0]=4 312 B11R1.20 CC(=O)NC1=CC=C(C=C1)I MCULE-2439343180 [0,0,0,0,0,1|3,0,0]=4 313 B11R1.20 CC(=O)NC1=CC=C(C=C1)N MCULE-7300788800 [0,0,0,0,0,1|3,0,0]=4 314 B11R1.20 CC(=O)NC1=CC=C(C=C1)N MCULE-8040281733 [0,0,0,0,0,1|3,0,0]=4 315 B11R1.20 CC(=O)NC1=CC=C(C=C1)O MCULE-3844920617 [0,0,0,0,0,1|3,0,0]=4 316 B11R1.20 CC(=O)NC1=CC=C(C=C1)O MCULE-7875258536 [0,0,0,0,0,1|3,0,0]=4 317 B11R1.20 CC(=O)NC1=CC=C(C=C1)S MCULE-9967717204 [0,0,0,0,0,1|3,0,0]=4 318 B11R1.20 CC(=O)NC1=CC=C(C=N1)Cl MCULE-3684705708 [0,0,0,0,0,1|2,0,0]=3 319 B11R1.20 CC(=O)NC1=CC=C(N=C1)C MCULE-8716111521 [0,0,0,0,0,1|2,0,0]=3 320 B11R1.20 CC(=O)NC1=CC=C(N=C1)O MCULE-2055353056 [0,0,0,0,0,1|3,0,0]=4 321 B11R1.20 CC(=O)NC1=CC=C(N=N1)Cl MCULE-2611725185 [0,0,0,0,0,1|2,0,0]=3 322 B11R1.20 CC(=O)NC1=CC=C(N=N1)S MCULE-2318676532 [0,0,0,0,0,1|2,0,0]=3 323 B11R1.20 CC(=O)NC1=CN=C(C=C1)Br MCULE-2690167906 [0,0,0,0,0,1|3,0,0]=4 324 B11R1.20 CC(=O)NC1=CN=C(C=C1)Cl MCULE-7485238037 [0,0,0,0,0,1|3,0,0]=4 325 B11R1.20 CC(=O)NC1=CN=C(C=C1)N MCULE-7585014068 [0,0,0,0,0,1|3,0,0]=4 326 B11R1.20 CC(=O)NC1=CN=C(C=C1)S MCULE-1012809920 [0,0,0,0,0,1|3,0,0]=4 327 B11R1.20 CC(=O)NC1=NC=C(C=C1)Br MCULE-8678307292 [0,0,0,0,0,1|2,0,0]=3 328 B11R1.20 CC(=O)NC1=NC=C(C=C1)C MCULE-9569320692 [0,0,0,0,0,1|1,0,0]=2 329 B11R1.20 CC(=O)NC1=NC=C(C=C1)F MCULE-5715474371 [0,0,0,0,0,1|2,0,0]=3 330 B11R1.20 CC(=O)NC1=NC=C(C=C1)I MCULE-5789163338 [0,0,0,0,0,1|2,0,0]=3 331 B11R1.20 CC(=O)NC1=NC=C(C=C1)N MCULE-9777855890 [0,0,0,0,0,1|2,0,0]=3 332 B11R1.20 CC(=O)NC1=NC=C(C=C1)O MCULE-8899692958 [0,0,0,0,0,1|2,0,0]=3 333 B11R1.20 CC(=O)NC1=NC=C(C=N1)Br MCULE-5567365868 [0,0,0,0,0,1|2,0,0]=3 334 B11R1.20 CC(=O)NC1=NC=C(C=N1)Cl MCULE-5264400639 [0,0,0,0,0,1|2,0,0]=3 335 B11R1.20 CC(=O)NC1=NC=C(N=C1)Br MCULE-6742100609 [0,0,0,0,0,1|2,0,0]=3 336 B11R1.20 CC(=O)NC1=NC=C(N=C1)C MCULE-1885848757 [0,0,0,0,0,1|1,0,0]=2 337 B11R1.20 CC(=O)OC1=CC=C(C=C1)C MCULE-9528048538 [0,0,0,0,0,1|3,0,0]=4 338 B11R1.20 CC(=S)NC1=CC=C(C=C1)C MCULE-7249798983 [0,0,0,0,0,1|2,1,0]=4 339 B11R1.20 CC1=CC=C(C=C1)NC(=O)N MCULE-8260992525 [0,0,0,0,0,1|3,0,0]=4 340 B11R1.20 CC1=CN=C(C=C1)CC(=O)O MCULE-4500305633 [0,0,0,0,0,1|3,0,0]=4 341 B11R1.20 CC1=CN=C(C=C1)CC(=O)O MCULE-6746029360 [0,0,0,0,0,1|3,0,0]=4 342 B11R1.20 CC1=CN=C(C=C1)CC(=O)[O-] MCULE-9650379320 [0,0,0,0,0,1|3,0,0]=4 343 B11R1.20 CC1=CN=C(C=C1)NC(=S)N MCULE-1921722114 [0,0,0,0,0,1|2,1,0]=4 344 B11R1.20 CC1=CN=C(N=C1)CC(=O)O MCULE-2076483894 [0,0,0,0,0,1|3,0,0]=4 345 B11R1.20 CC1=NC=C(N=C1)CC(=O)O MCULE-8630828920 [0,0,0,0,0,1|3,0,0]=4 346 B11R1.20 CC1=NC=C(N=C1)CC(=O)[O-] MCULE-8421475630 [0,0,0,0,0,1|3,0,0]=4 347 B11R1.20 CC1=NN=C(C=C1)CC(=O)O MCULE-2114198542 [0,0,0,0,0,1|3,0,0]=4 348 B11R1.20 CC1=NN=C(C=C1)NC(C)C MCULE-4247284723 [0,0,0,0,0,1|2,0,1]=4 349 B11R1.20 NC(=O)NC1=NC=C(C=C1)I MCULE-2066912224 [0,0,0,0,0,1|3,0,0]=4 350 B11R1.75 CC(=O)CSC1=NC=C(S1)C MCULE-8411995352 [0,0,0,0,0,1|3,0,0]=4 351 B11R1.75 CC(=O)CSC1=NN=C(S1)C MCULE-4379829109 [0,0,0,0,0,1|3,0,0]=4 352 B11R1.75 CC(=O)NNC1=NC(=CS1)C MCULE-2118769274 [0,0,0,0,0,1|3,0,0]=4 353 B11R1.75 CC(=O)NNC1=NC(=CS1)C MCULE-6974449864 [0,0,0,0,0,1|3,0,0]=4 354 B11R1.75 CC(=O)OCC1=CC(=NO1)C MCULE-3999429125 [0,0,0,0,0,1|3,0,0]=4 355 B11R1.75 CC1=CC(=NO1)/C=C/C(=O)O MCULE-5730179319 [0,0,0,0,0,1|2,0,0]=3 356 B11R1.75 CC1=CC(=NO1)C=CC(=O)O MCULE-6910277257 [0,0,0,0,0,1|2,0,0]=3 357 B11R1.75 CC1=CC(=NO1)CCC(=O)O MCULE-3378074738 [0,0,0,0,0,1|2,0,0]=3 358 B11R1.75 CC1=CC(=NO1)N=CN(C)C MCULE-2160150575 [0,0,0,0,0,1|2,0,1]=4 359 B11R1.75 CC1=CC(=NO1)OCC(=O)O MCULE-2558118039 [0,0,0,0,0,1|2,0,0]=3 360 B11R1.75 CC1=NC(=NO1)CNC(C)C MCULE-5147287979 [0,0,0,0,0,1|2,0,1]=4 361 B11R1.75 CC1=NC(=NO1)CNC(C)C MCULE-5780843844 [0,0,0,0,0,1|2,0,1]=4 362 B11R1.157 C=C(C)CC1=CC(=CC=N1)C MCULE-7144121884 [0,0,0,0,0,1|3,0,0]=4 363 B11R1.157 CC(=O)CC1=CC(=CC=C1)C MCULE-9504071522 [0,0,0,0,0,1|3,0,0]=4 364 B11R1.157 CC(=O)CC1=CC(=CC=N1)C MCULE-2913684470 [0,0,0,0,0,1|2,0,0]=3 365 B11R1.157 CC(=O)CC1=NC=CC(=C1)Br MCULE-3903198682 [0,0,0,0,0,1|3,0,0]=4 366 B11R1.157 CC(=O)NC1=CC(=CC=C1)Br MCULE-3401615240 [0,0,0,0,0,1|3,0,0]=4 367 B11R1.157 CC(=O)NC1=CC(=CC=C1)Cl MCULE-2601514546 [0,0,0,0,0,1|3,0,0]=4 368 B11R1.157 CC(=O)NC1=CC(=CC=C1)F MCULE-1851935542 [0,0,0,0,0,1|3,0,0]=4 369 B11R1.157 CC(=O)NC1=CC(=CC=C1)I MCULE-5402592699 [0,0,0,0,0,1|3,0,0]=4 370 B11R1.157 CC(=O)NC1=CC(=CC=N1)Br MCULE-5820473071 [0,0,0,0,0,1|2,0,0]=3 371 B11R1.157 CC(=O)NC1=CC(=CN=C1)Br MCULE-9083241033 [0,0,0,0,0,1|2,0,0]=3 372 B11R1.157 CC(=O)NC1=CC(=CN=C1)N MCULE-4938504605 [0,0,0,0,0,1|2,0,0]=3 373 B11R1.157 CC(=O)NC1=CC(=NC=C1)C MCULE-2594550348 [0,0,0,0,0,1|2,0,0]=3 374 B11R1.157 CC(=O)NC1=CC(=NC=C1)Cl MCULE-6135824669 [0,0,0,0,0,1|3,0,0]=4 375 B11R1.157 CC(=O)NC1=CC(=NC=C1)N MCULE-5684893517 [0,0,0,0,0,1|3,0,0]=4 376 B11R1.157 CC(=O)NC1=CC(=NC=N1)Br MCULE-2489916928 [0,0,0,0,0,1|2,0,0]=3 377 B11R1.157 CC(=O)NC1=CC(=O)NC=N1 MCULE-5348159136 [0,0,0,0,0,1|2,0,0]=3 378 B11R1.157 CC(=O)NC1=CC=CC(=C1)C MCULE-5690701833 [0,0,0,0,0,1|2,0,0]=3 379 B11R1.157 CC(=O)NC1=CC=CC(=C1)N MCULE-2104045922 [0,0,0,0,0,1|3,0,0]=4 380 B11R1.157 CC(=O)NC1=CC=CC(=C1)N MCULE-5722441261 [0,0,0,0,0,1|3,0,0]=4 381 B11R1.157 CC(=O)NC1=CC=CC(=C1)O MCULE-1526482888 [0,0,0,0,0,1|3,0,0]=4 382 B11R1.157 CC(=O)NC1=CC=CC(=C1)S MCULE-9562836416 [0,0,0,0,0,1|3,0,0]=4 383 B11R1.157 CC(=O)NC1=CN=CC(=C1)F MCULE-5850241327 [0,0,0,0,0,1|2,0,0]=3 384 B11R1.157 CC(=O)NC1=NC(=CC=C1)C MCULE-7901457206 [0,0,0,0,0,1|3,0,0]=4 385 B11R1.157 CC(=O)NC1=NC(=CN=C1)Cl MCULE-9350839440 [0,0,0,0,0,1|3,0,0]=4 386 B11R1.157 CC(=O)NC1=NC=CC(=C1)C MCULE-3334625511 [0,0,0,0,0,1|1,0,0]=2 387 B11R1.157 CC(=O)NC1=NC=CC(=C1)Cl MCULE-9839608827 [0,0,0,0,0,1|2,0,0]=3 388 B11R1.157 CC(=O)NC1=NC=CC(=C1)I MCULE-7193391962 [0,0,0,0,0,1|2,0,0]=3 389 B11R1.157 CC(=O)NC1=NC=CC(=C1)N MCULE-4989112425 [0,0,0,0,0,1|2,0,0]=3 390 B11R1.157 CC(=O)NC1=NC=CC(=N1)Br MCULE-3019111607 [0,0,0,0,0,1|3,0,0]=4 391 B11R1.157 CC(=O)NC1=NC=CC(=N1)Cl MCULE-8683334715 [0,0,0,0,0,1|3,0,0]=4 392 B11R1.157 CC(=O)NC1=NC=NC(=C1)Cl MCULE-2093724196 [0,0,0,0,0,1|2,0,0]=3 393 B11R1.157 CC(=O)NC1=NC=NC(=C1)N MCULE-7608803506 [0,0,0,0,0,1|2,0,0]=3 394 B11R1.157 CC(=O)NC1=NN=CC(=C1)C MCULE-2558364297 [0,0,0,0,0,1|1,0,0]=2 395 B11R1.157 CC(=O)OC1=CC=CC(=C1)C MCULE-6903728300 [0,0,0,0,0,1|3,0,0]=4 396 B11R1.157 CC1=CC(=CC=C1)NC(=O)N MCULE-9290593954 [0,0,0,0,0,1|3,0,0]=4 397 B11R1.157 CC1=CC(=CN=C1)CC(=O)O MCULE-1787958936 [0,0,0,0,0,1|3,0,0]=4 398 B11R1.157 CC1=CC(=CN=C1)CC(=O)O MCULE-4732780183 [0,0,0,0,0,1|3,0,0]=4 399 B11R1.157 CC1=CC(=NC=C1)CC(=O)O MCULE-8064322897 [0,0,0,0,0,1|3,0,0]=4 400 B11R1.157 CC1=CC(=NC=C1)CC(=O)O MCULE-9669688749 [0,0,0,0,0,1|3,0,0]=4 401 B11R1.157 CC1=CC(=NC=C1)CC(=O)[O-] MCULE-4325663013 [0,0,0,0,0,1|3,0,0]=4 402 B11R1.157 CC1=CC(=NC=C1)NC(=S)N MCULE-8252443915 [0,0,0,0,0,1|2,1,0]=4 403 B8R0.28 C=C(C)C=NNC(=O)C MCULE-6760285552 [1,0,1,0,0,0|2,0,0]=4 404 B8R0.28 CC(=O)/C=C/C=C(C)C MCULE-5490143321 [1,0,1,0,0,0|2,0,0]=4 405 B8R0.28 CC(=O)C=CC=C(C)C MCULE-5494168281 [1,0,1,0,0,0|2,0,0]=4 406 B8R0.28 CC(=O)CC=CC(=O)O MCULE-9526483708 [1,0,1,0,0,0|2,0,0]=4 407 B8R0.28 NC(=O)NC=CC(=O)O MCULE-5004188805 [1,0,1,0,0,0|2,0,0]=4 408 B8R0.5 CCOC(=O)NC(=O)C MCULE-8711109897 [1,0,1,0,0,0|1,0,1]=4 409 B8R1.1 CC1=CC(=CS1)C=O MCULE-4654357481 [2,0,0,0,0,0|1,1,0]=4 410 B8R1.1 CC1=CC(=NO1)C#N MCULE-8031310922 [2,0,0,0,0,0|1,0,1]=4 411 B8R1.1 CC1=CC(=NO1)C=O MCULE-7191377585 [2,0,0,0,0,0|0,0,0]=2 412 B8R1.1 CC1=CC(=NO1)CBr MCULE-2122372736 [2,0,0,0,0,0|1,0,1]=4 413 B8R1.1 CC1=CC(=NO1)CCl MCULE-7977792936 [2,0,0,0,0,0|1,0,1]=4 414 B8R1.1 CC1=CC(=NO1)CN MCULE-7382076421 [2,0,0,0,0,0|1,0,1]=4 415 B8R1.1 CC1=CC(=NO1)CN MCULE-9571121137 [2,0,0,0,0,0|1,0,1]=4 416 B8R1.1 CC1=CC(=NO1)CN MCULE-9714739003 [2,0,0,0,0,0|1,0,1]=4 417 B8R1.1 CC1=CC(=NO1)CO MCULE-6278663170 [2,0,0,0,0,0|0,0,2]=4 418 B8R1.1 CC1=CC(=NO1)CS MCULE-4166334628 [2,0,0,0,0,0|0,1,1]=4 419 B8R1.1 CC1=CC(=NS1)C=O MCULE-3138385252 [2,0,0,0,0,0|0,1,0]=3 420 B8R1.1 CC1=CN=C(O1)C=O MCULE-7319634106 [2,0,0,0,0,0|2,0,0]=4 421 B8R1.1 CC1=CN=C(S1)C=O MCULE-3699802703 [2,0,0,0,0,0|2,0,0]=4 422 B8R1.1 CC1=CNC(=C1)C=O MCULE-3466629196 [2,0,0,0,0,0|1,0,1]=4 423 B8R1.1 CC1=COC(=C1)C=O MCULE-9840055188 [2,0,0,0,0,0|2,0,0]=4 424 B8R1.1 CC1=CSC(=C1)C=O MCULE-8905758235 [2,0,0,0,0,0|2,0,0]=4 425 B8R1.1 CC1=NC(=CO1)C=O MCULE-9583599478 [2,0,0,0,0,0|2,0,0]=4 426 B8R1.1 CC1=NC(=NO1)C=O MCULE-9210947168 [2,0,0,0,0,0|1,0,0]=3 427 B8R1.1 CC1=NN=C(N1)C=O MCULE-9873963685 [2,0,0,0,0,0|2,0,0]=4 428 B8R1.1 CC1=NN=C(O1)C=O MCULE-3608736984 [2,0,0,0,0,0|2,0,0]=4 429 B8R1.1 CC1=NN=C(S1)C=O MCULE-8659956223 [2,0,0,0,0,0|2,0,0]=4 430 B8R1.1 CC1=NNC(=C1)C=O MCULE-8923372806 [2,0,0,0,0,0|1,0,1]=4 431 B8R1.1 CC1=NOC(=C1)C=O MCULE-1834049159 [2,0,0,0,0,0|2,0,0]=4 432 B8R1.1 CC1=NSC(=C1)C=O MCULE-5196335862 [2,0,0,0,0,0|2,0,0]=4 433 B8R1.1 CCC1=NNC(=C1)C MCULE-4890516961 [2,0,0,0,0,0|1,0,1]=4 434 B8R1.1 CCC1=NOC(=C1)I MCULE-3732475307 [2,0,0,0,0,0|1,0,1]=4 435 B8R1.1 CCC1=NOC(=C1)N MCULE-7484001749 [2,0,0,0,0,0|1,0,1]=4 436 B8R1.1 CCC1=NOC(=C1)O MCULE-5509018388 [2,0,0,0,0,0|1,0,1]=4 437 B8R1.1 CN1C=C(N=N1)C=O MCULE-8728589225 [2,0,0,0,0,0|2,0,0]=4 438 B8R1.1 CN1C=NC(=C1)C=O MCULE-1440199869 [2,0,0,0,0,0|2,0,0]=4 439 B8R1.1 CNC1=CC(=NN1)C MCULE-2162514899 [2,0,0,0,0,0|1,0,1]=4 440 B8R1.1 CNC1=NC=C(S1)C MCULE-3804593079 [2,0,0,0,0,0|2,0,0]=4 441 B8R1.1 CNC1=NN=C(S1)C MCULE-3317885015 [2,0,0,0,0,0|2,0,0]=4 442 B8R1.1 CNC1=NOC(=C1)C MCULE-6368893890 [2,0,0,0,0,0|0,0,0]=2 443 B8R1.1 CNC1=NOC(=N1)C MCULE-1078257638 [2,0,0,0,0,0|1,0,0]=3 444 B8R1.1 COC1=NOC(=C1)C MCULE-9817782700 [2,0,0,0,0,0|1,0,0]=3 445 B8R1.1 COC1=NOC(=C1)N MCULE-6986455939 [2,0,0,0,0,0|2,0,0]=4 446 B8R1.1 O=CC1=NNC(=C1)Br MCULE-1824548499 [2,0,0,0,0,0|2,0,0]=4 447 B8R1.1 O=CC1=NSC(=C1)Br MCULE-6606303878 [2,0,0,0,0,0|1,1,0]=4 448 B8R1.8 CNCC1=NOC=C1 MCULE-2913633018 [2,0,0,0,0,0|2,0,0]=4 449 B8R1.8 CNCC1=NOC=C1 MCULE-4161046149 [2,0,0,0,0,0|2,0,0]=4 450 B8R1.8 O=CNC1=CNN=N1 MCULE-8970433130 [2,0,0,0,0,0|2,0,0]=4 451 B8R1.8 O=CNC1=NC=CS1 MCULE-8085860935 [2,0,0,0,0,0|2,0,0]=4 452 B10R1.14 CCC(=O)C1=NOC(=C1)C MCULE-6919449732 [1,1,0,0,0,0|1,0,1]=4 453 B10R1.14 CNC(=O)C1=NOC(=C1)C MCULE-4695082539 [1,1,0,0,0,0|2,0,0]=4 454 B10R1.14 COC(=O)C1=NOC(=C1)C MCULE-2458311477 [1,1,0,0,0,0|2,0,0]=4 455 B10R1.16 CC1=CC(=NO1)N/C=N/O MCULE-3048870335 [1,1,0,0,0,0|0,0,1]=3 456 B10R1.16 CCNCC1=NOC(=N1)C MCULE-2039932303 [1,1,0,0,0,0|1,0,1]=4 457 B10R1.16 CCNCC1=NOC(=N1)C MCULE-8859309680 [1,1,0,0,0,0|1,0,1]=4 458 B10R1.94 CCNC1=NOC(=C1Cl)C MCULE-4318053830 [1,1,0,0,0,0|0,0,1]=3 459 B10R1.94 CCOC1=NOC(=C1Br)C MCULE-1125251238 [1,1,0,0,0,0|1,0,1]=4 460 B10R1.96 CCCC1=NOC(=C1)CCl MCULE-1706905217 [1,1,0,0,0,0|1,0,1]=4 461 B10R1.96 CCCC1=NOC(=C1)CN MCULE-1090223180 [1,1,0,0,0,0|1,0,1]=4 462 B10R1.96 CCCC1=NOC(=C1)CN MCULE-2276503065 [1,1,0,0,0,0|1,0,1]=4 463 B10R1.96 CCCC1=NOC(=C1)CO MCULE-2144419684 [1,1,0,0,0,0|1,0,1]=4 464 B10R1.96 COCC1=NOC(=C1)CCl MCULE-3674493970 [1,1,0,0,0,0|2,0,0]=4 465 B10R1.131 CC1=C(N=C(S1)NC=O)Br MCULE-2908258474 [1,1,0,0,0,0|2,0,0]=4 466 B10R1.27 CCC(=O)NC1=NC=CS1 MCULE-2761227867 [1,1,0,0,0,0|2,0,0]=4 467 B10R1.27 COC(=O)CC1=COC=C1 MCULE-6724530459 [1,1,0,0,0,0|2,0,0]=4 468 B10R1.27 COC(=O)NC1=CSC=N1 MCULE-7948340038 [1,1,0,0,0,0|2,0,0]=4 469 B10R1.27 COC(=O)NC1=NC=CS1 MCULE-7415125644 [1,1,0,0,0,0|2,0,0]=4 470 B10R1.27 NCC(=O)NC1=NC=CS1 MCULE-4975122693 [1,1,0,0,0,0|2,0,0]=4 471 B10R1.27 NCC(=O)NC1=NC=CS1 MCULE-7709810576 [1,1,0,0,0,0|2,0,0]=4 472 B10R1.27 NCC(=O)NC1=NC=CS1 MCULE-9944818188 [1,1,0,0,0,0|2,0,0]=4 473 B10R1.27 O=C(CBr)NC1=NC=CS1 MCULE-1090485871 [1,1,0,0,0,0|2,0,0]=4 474 B10R1.27 O=C(CCl)NC1=NC=CN1 MCULE-1268517196 [1,1,0,0,0,0|2,0,0]=4 475 B10R1.27 O=C(CCl)NC1=NC=CN1 MCULE-6156913730 [1,1,0,0,0,0|2,0,0]=4 476 B10R1.27 O=C(CCl)NC1=NC=CS1 MCULE-4508797286 [1,1,0,0,0,0|2,0,0]=4 477 B10R1.27 O=C(CCl)NC1=NN=CN1 MCULE-2470074023 [1,1,0,0,0,0|2,0,0]=4 478 B10R1.27 O=C(CCl)NC1=NN=CS1 MCULE-3332878617 [1,1,0,0,0,0|2,0,0]=4 479 B10R1.27 O=C(CCl)NC1=NOC=C1 MCULE-1116139864 [1,1,0,0,0,0|0,0,0]=2 480 B10R1.64 CC(=O)NC1=NON=C1N MCULE-7582347603 [1,1,0,0,0,0|1,0,0]=3 481 B10R1.64 CC(=O)SC1=C(OC=C1)C MCULE-8438638246 [1,1,0,0,0,0|2,0,0]=4 482 B10R1.64 CC1=CON=C1CC(=O)O MCULE-6326405619 [1,1,0,0,0,0|2,0,0]=4 483 B10R1.281 CS(=O)(=O)NC1=NNC=C1 MCULE-6287831402 [1,1,0,0,0,0|2,0,0]=4 484 B10R1.31 CC(=O)C1=CC(=CS1)CCl MCULE-7669126359 [0,1,0,0,1,0|2,0,0]=4 485 B10R1.31 CC(=O)C1=CC(=CS1)CO MCULE-1795335544 [0,1,0,0,1,0|2,0,0]=4 486 B10R1.31 CC(=O)C1=NC=C(N1)CO MCULE-4646715528 [0,1,0,0,1,0|2,0,0]=4 487 B10R1.31 CC(=O)C1=NC=C(S1)CO MCULE-4274631185 [0,1,0,0,1,0|2,0,0]=4 488 B10R1.31 CC(=O)C1=NOC(=C1)CBr MCULE-6890691869 [0,1,0,0,1,0|0,0,0]=2 489 B10R1.31 CC(=O)C1=NOC(=C1)CO MCULE-1512048602 [0,1,0,0,1,0|0,0,0]=2 490 B10R1.31 CC(C)C1=NOC(=C1)CBr MCULE-3259043280 [0,1,0,0,1,0|1,0,1]=4 491 B10R1.31 CC(C)C1=NOC(=C1)CCl MCULE-3639816780 [0,1,0,0,1,0|1,0,1]=4 492 B10R1.31 CC(C)C1=NOC(=C1)CN MCULE-2465356885 [0,1,0,0,1,0|1,0,1]=4 493 B10R1.31 CC(C)C1=NOC(=C1)CN MCULE-4923471980 [0,1,0,0,1,0|1,0,1]=4 494 B10R1.31 CC(C)C1=NOC(=C1)CN MCULE-5185293280 [0,1,0,0,1,0|1,0,1]=4 495 B10R1.31 CC(C)C1=NOC(=C1)CO MCULE-2560014568 [0,1,0,0,1,0|1,0,1]=4 496 B10R1.31 CCC1=CC(=NN1)C(=O)O MCULE-3840467199 [0,1,0,0,1,0|2,0,0]=4 497 B10R1.31 CCC1=CC(=NO1)C(=O)Cl MCULE-7322485546 [0,1,0,0,1,0|1,0,0]=3 498 B10R1.31 CCC1=CC(=NO1)C(=O)O MCULE-8990783503 [0,1,0,0,1,0|1,0,0]=3 499 B10R1.31 CCC1=CC(=NO1)C(C)N MCULE-1533222247 [0,1,0,0,1,0|1,0,1]=4 500 B10R1.31 CCC1=CC(=NO1)C(C)N MCULE-2545405234 [0,1,0,0,1,0|1,0,1]=4 501 B10R1.31 COC1=CC(=NN1)C(=O)O MCULE-3382908600 [0,1,0,0,1,0|2,0,0]=4 502 B10R1.31 COC1=CC(=NO1)C(=O)O MCULE-4551012626 [0,1,0,0,1,0|1,0,0]=3 503 B10R1.31 COC1=NOC(=C1)C(=O)C MCULE-7271570611 [0,1,0,0,1,0|2,0,0]=4 504 B10R1.31 COC1=NSC(=C1)C(=O)C MCULE-2126352797 [0,1,0,0,1,0|2,0,0]=4 505 B10R1.31 CSC1=CC(=CO1)C(=O)O MCULE-7287309057 [0,1,0,0,1,0|2,0,0]=4 506 B10R1.31 N#CC1=CC(=NO1)C(=O)O MCULE-6177902042 [0,1,0,0,1,0|1,0,1]=4 507 B10R1.31 NC(=O)C1=NNC(=C1)CO MCULE-1099444253 [0,1,0,0,1,0|2,0,0]=4 508 B10R1.31 NC(=O)C1=NOC(=C1)CO MCULE-5847520602 [0,1,0,0,1,0|1,0,0]=3 509 B10R1.31 NC(=O)C1=NOC(=N1)CCl MCULE-2567235607 [0,1,0,0,1,0|2,0,0]=4 510 B10R1.31 NC(=O)C1=NOC(=N1)CO MCULE-1214115516 [0,1,0,0,1,0|2,0,0]=4 511 B10R1.31 NCC1=CC(=CO1)C(=O)N MCULE-4780017990 [0,1,0,0,1,0|2,0,0]=4 512 B10R1.31 NCC1=CC(=CO1)C(=O)N MCULE-8586664981 [0,1,0,0,1,0|2,0,0]=4 513 B10R1.31 NCC1=CC(=CO1)C(=O)O MCULE-8009916414 [0,1,0,0,1,0|2,0,0]=4 514 B10R1.31 NCC1=CC(=CO1)C(=O)O MCULE-8081573675 [0,1,0,0,1,0|2,0,0]=4 515 B10R1.31 NCC1=CC(=NO1)C(=O)N MCULE-3775421883 [0,1,0,0,1,0|1,0,0]=3 516 B10R1.31 NCC1=NC(=NO1)C(=O)N MCULE-5986294506 [0,1,0,0,1,0|2,0,0]=4 517 B10R1.31 NCC1=NC(=NO1)C(=O)N MCULE-7405859535 [0,1,0,0,1,0|2,0,0]=4 518 B10R1.31 O=C(O)C1=COC(=C1)CO MCULE-1954413493 [0,1,0,0,1,0|2,0,0]=4 519 B10R1.31 O=C(O)C1=NOC(=C1)CF MCULE-4318751220 [0,1,0,0,1,0|1,0,0]=3 520 B10R1.31 O=C(O)C1=NOC(=C1)CO MCULE-9585590711 [0,1,0,0,1,0|1,0,0]=3 521 B10R1.58 CC(=O)C1=CC(=C(O1)C)C MCULE-9398749412 [0,1,0,0,1,0|2,0,0]=4 522 B10R1.58 CC(=O)C1=CC(=C(S1)Br)C MCULE-7896967644 [0,1,0,0,1,0|2,0,0]=4 523 B10R1.58 CC(=O)C1=CN(C(=N1)C)C MCULE-6744319443 [0,1,0,0,1,0|2,0,0]=4 524 B10R1.58 CC(=O)C1=NC(=C(S1)C)C MCULE-2716881292 [0,1,0,0,1,0|2,0,0]=4 525 B10R1.58 CC(=O)C1=NN(C(=C1)C)C MCULE-6577607071 [0,1,0,0,1,0|1,0,0]=3 526 B10R1.58 CC(=O)C1=NN(C(=C1)F)C MCULE-7546928374 [0,1,0,0,1,0|2,0,0]=4 527 B10R1.58 CC1=CC(=NN1C)C(=O)Cl MCULE-5969056853 [0,1,0,0,1,0|2,0,0]=4 528 B10R1.58 CC1=CC(=NN1C)C(=O)N MCULE-4917785378 [0,1,0,0,1,0|2,0,0]=4 529 B10R1.58 CC1=CC(=NN1C)C(=O)O MCULE-3825001208 [0,1,0,0,1,0|2,0,0]=4 530 B10R1.59 CC(=O)C1=C(NC(=C1)C)C MCULE-6663248559 [0,1,0,0,1,0|2,0,0]=4 531 B10R1.59 CC(=O)C1=C(OC(=C1)C)C MCULE-2075004152 [0,1,0,0,1,0|1,0,0]=3 532 B10R1.59 CC(=O)C1=C(OC(=N1)C)C MCULE-9348667134 [0,1,0,0,1,0|2,0,0]=4 533 B10R1.59 CC(=O)C1=C(SC(=C1)C)C MCULE-5911598699 [0,1,0,0,1,0|1,1,0]=4 534 B10R1.59 CC(=O)C1=CC(=NN1C)C MCULE-7395095851 [0,1,0,0,1,0|1,0,1]=4 535 B10R1.59 CC1=CC(=C(O1)C)C(=O)Cl MCULE-1886387922 [0,1,0,0,1,0|2,0,0]=4 536 B10R1.59 CC1=CC(=C(O1)C)C(=O)N MCULE-3018750495 [0,1,0,0,1,0|2,0,0]=4 537 B10R1.59 CC1=CC(=C(O1)C)C(=O)O MCULE-6083512637 [0,1,0,0,1,0|2,0,0]=4 538 B10R1.194 CC(=O)C1=C(C(=CS1)C)Br MCULE-6799685044 [0,1,0,0,1,0|2,0,0]=4 539 B10R1.194 CC(=O)C1=C(N(N=N1)C)C MCULE-2595775497 [0,1,0,0,1,0|2,0,0]=4 540 B10R1.194 CC1=C(C(=NN1)C(=O)Cl)Br MCULE-8889160891 [0,1,0,0,1,0|2,0,0]=4 541 B10R1.194 CC1=C(C(=NN1)C(=O)Cl)Cl MCULE-2700014068 [0,1,0,0,1,0|2,0,0]=4 542 B10R1.194 CC1=C(C(=NN1)C(=O)N)N MCULE-8418650340 [0,1,0,0,1,0|2,0,0]=4 543 B10R1.194 CC1=C(C(=NN1)C(=O)O)Br MCULE-6209499257 [0,1,0,0,1,0|2,0,0]=4 544 B10R1.194 CC1=C(C(=NN1)C(=O)O)C MCULE-3611962040 [0,1,0,0,1,0|2,0,0]=4 545 B10R1.194 CC1=C(C(=NN1)C(=O)O)Cl MCULE-5399802501 [0,1,0,0,1,0|2,0,0]=4 546 B10R1.194 CC1=C(C(=NN1)C(=O)O)F MCULE-2377075490 [0,1,0,0,1,0|2,0,0]=4 547 B10R1.194 CC1=C(C(=NN1)C(=O)O)F MCULE-9194472437 [0,1,0,0,1,0|2,0,0]=4 548 B10R1.194 CC1=C(C(=NN1)C(=O)O)N MCULE-8578542406 [0,1,0,0,1,0|2,0,0]=4 549 B10R1.194 CC1=C(C(=NN1)C(=O)O)O MCULE-3278182601 [0,1,0,0,1,0|2,0,0]=4 550 B10R1.194 CC1=C(C(=NO1)C(=O)N)Cl MCULE-4768298824 [0,1,0,0,1,0|1,0,0]=3 551 B10R1.194 CC1=C(C(=NO1)C(=O)O)Br MCULE-9853670746 [0,1,0,0,1,0|1,0,0]=3 552 B10R1.194 CC1=C(C(=NO1)C(=O)O)C MCULE-7172345245 [0,1,0,0,1,0|1,0,0]=3 553 B10R1.194 CC1=C(C(=NO1)C(=O)O)I MCULE-7361070967 [0,1,0,0,1,0|1,0,0]=3 554 B10R1.194 CC1=C(ON=C1C(=O)O)Cl MCULE-4073029246 [0,1,0,0,1,0|2,0,0]=4 555 B12R1.4 C#CC1=CN=C(C=C1)NC(=O)C MCULE-6039269628 [0,1,0,0,0,1|1,0,1]=4 556 B12R1.4 CC(=O)NC1=CC=C(C=C1)CBr MCULE-2245795884 [0,1,0,0,0,1|2,0,0]=4 557 B12R1.4 CC(=O)NC1=CC=C(C=C1)CCl MCULE-1944423249 [0,1,0,0,0,1|2,0,0]=4 558 B12R1.4 CC(=O)NC1=CC=C(C=C1)CN MCULE-4979285210 [0,1,0,0,0,1|2,0,0]=4 559 B12R1.4 CC(=O)NC1=CC=C(C=C1)CN MCULE-6710009656 [0,1,0,0,0,1|2,0,0]=4 560 B12R1.4 CC(=O)NC1=CC=C(C=C1)CO MCULE-4737075651 [0,1,0,0,0,1|2,0,0]=4 561 B12R1.4 CC(=O)NC1=NC=C(C=C1)CN MCULE-9612523441 [0,1,0,0,0,1|1,0,0]=3 562 B12R1.4 CCC1=CC=C(C=C1)NC(=O)C MCULE-5824875637 [0,1,0,0,0,1|2,0,0]=4 563 B12R1.4 CNC1=CC=C(C=C1)NC(=O)C MCULE-1271646142 [0,1,0,0,0,1|2,0,0]=4 564 B12R1.4 CNC1=CC=C(C=C1)NC(=O)C MCULE-4849402761 [0,1,0,0,0,1|2,0,0]=4 565 B12R1.4 COC1=CC=C(C=C1)NC(=O)C MCULE-5011233430 [0,1,0,0,0,1|2,0,0]=4 566 B12R1.4 CSC1=CC=C(C=C1)NC(=O)C MCULE-1544292235 [0,1,0,0,0,1|2,0,0]=4 567 B12R1.19 CC(=O)NC1=CC(=C(C=C1)C)Br MCULE-2879752435 [0,1,0,0,0,1|2,0,0]=4 568 B12R1.19 CC(=O)NC1=CC(=C(C=C1)C)C MCULE-7395422691 [0,1,0,0,0,1|2,0,0]=4 569 B12R1.19 CC(=O)NC1=CC(=C(C=C1)C)Cl MCULE-6574674783 [0,1,0,0,0,1|2,0,0]=4 570 B12R1.19 CC(=O)NC1=CC(=C(C=C1)C)F MCULE-5461135336 [0,1,0,0,0,1|2,0,0]=4 571 B12R1.19 CC(=O)NC1=CC(=C(C=N1)C)C MCULE-3421987821 [0,1,0,0,0,1|1,0,0]=3 572 B12R1.19 CC(=O)NC1=CC(=O)N(C=N1)C MCULE-3993855336 [0,1,0,0,0,1|2,0,0]=4 573 B12R1.19 CC(=O)NC1=CC=C(C(=C1)I)C MCULE-3603178884 [0,1,0,0,0,1|2,0,0]=4 574 B12R1.19 CC(=O)NC1=CC=C(C(=C1)N)C MCULE-9773640730 [0,1,0,0,0,1|2,0,0]=4 575 B12R1.19 CC(=O)NC1=CC=C(C(=N1)Br)C MCULE-2241182899 [0,1,0,0,0,1|1,0,0]=3 576 B12R1.19 CC(=O)NC1=CC=C(C(=N1)C)Br MCULE-6038490124 [0,1,0,0,0,1|2,0,0]=4 577 B12R1.19 CC(=O)NC1=CC=C(C(=N1)C)Cl MCULE-2940109830 [0,1,0,0,0,1|2,0,0]=4 578 B12R1.19 CC(=O)NC1=NC(=C(C=C1)F)C MCULE-2175792580 [0,1,0,0,0,1|2,0,0]=4 579 B12R1.19 CC(=O)NC1=NC(=C(C=C1)I)C MCULE-9982745407 [0,1,0,0,0,1|2,0,0]=4 580 B12R1.19 CC(=O)NC1=NC(=C(C=C1)I)F MCULE-1635235965 [0,1,0,0,0,1|2,0,0]=4 581 B12R1.19 CC(=O)NC1=NC=C(C(=C1)C)Br MCULE-4509129192 [0,1,0,0,0,1|2,0,0]=4 582 B12R1.19 CC(=O)NC1=NC=C(C(=C1)C)Cl MCULE-4417273566 [0,1,0,0,0,1|2,0,0]=4 583 B12R1.19 CC(=O)NC1=NC=C(C(=C1)C)N MCULE-3572848708 [0,1,0,0,0,1|2,0,0]=4 584 B12R1.19 CC(=O)NC1=NC=C(C(=C1)Cl)I MCULE-4569848113 [0,1,0,0,0,1|2,0,0]=4 585 B12R1.19 CC(=O)NC1=NC=C(C(=N1)C)Br MCULE-6801842933 [0,1,0,0,0,1|2,0,0]=4 586 B12R1.19 CC(=O)NC1=NN=C(C(=C1)C)Cl MCULE-2488355093 [0,1,0,0,0,1|2,0,0]=4 587 B12R1.20 CC(=O)N(C)C1=CC=C(C=C1)C MCULE-2124156350 [0,1,0,0,0,1|2,0,0]=4 588 B12R1.20 CC(=O)N(C)C1=NC=C(C=C1)N MCULE-7665514086 [0,1,0,0,0,1|2,0,0]=4 589 B12R1.20 CC(=O)N(C)C1=NC=C(C=N1)Br MCULE-8118454589 [0,1,0,0,0,1|2,0,0]=4 590 B12R1.49 C=CC(=O)NC1=NC=C(C=C1)C MCULE-5489555653 [0,1,0,0,0,1|1,0,1]=4 591 B12R1.49 CC1=CC=C(C=C1)NC(=O)CBr MCULE-5923313973 [0,1,0,0,0,1|2,0,0]=4 592 B12R1.49 CC1=CC=C(C=C1)NC(=O)CCl MCULE-1209120162 [0,1,0,0,0,1|2,0,0]=4 593 B12R1.49 CC1=CC=C(C=C1)NC(=O)CN MCULE-2240842430 [0,1,0,0,0,1|2,0,0]=4 594 B12R1.49 CC1=CC=C(C=C1)NC(=O)CN MCULE-8183448732 [0,1,0,0,0,1|2,0,0]=4 595 B12R1.49 CC1=CC=C(C=C1)NC(=O)CO MCULE-5874337131 [0,1,0,0,0,1|2,0,0]=4 596 B12R1.49 CC1=CC=C(C=C1)NC(=O)CS MCULE-2106672179 [0,1,0,0,0,1|2,0,0]=4 597 B12R1.49 CC1=CC=C(N=C1)NC(=O)CCl MCULE-5762436743 [0,1,0,0,0,1|1,0,0]=3 598 B12R1.49 CC1=CN=C(C=C1)NC(=O)CCl MCULE-6776207083 [0,1,0,0,0,1|1,0,0]=3 599 B12R1.49 CCC(=O)NC1=CC=C(C=C1)C MCULE-6249366258 [0,1,0,0,0,1|2,0,0]=4 600 B12R1.49 CCC(=O)NC1=CC=C(C=N1)Br MCULE-7038890049 [0,1,0,0,0,1|2,0,0]=4 601 B12R1.49 CCC(=O)NC1=CC=C(C=N1)I MCULE-1102093260 [0,1,0,0,0,1|2,0,0]=4 602 B12R1.49 CCC(=O)NC1=CC=C(N=N1)S MCULE-4662529310 [0,1,0,0,0,1|2,0,0]=4 603 B12R1.49 CCC(=O)NC1=NC=C(C=C1)C MCULE-8165668391 [0,1,0,0,0,1|1,0,0]=3 604 B12R1.49 CCC(=O)NC1=NC=C(C=C1)Cl MCULE-2660142995 [0,1,0,0,0,1|2,0,0]=4 605 B12R1.49 CCC(=O)NC1=NC=C(C=C1)N MCULE-1508230275 [0,1,0,0,0,1|2,0,0]=4 606 B12R1.49 COC(=O)CC1=NC=C(C=C1)C MCULE-5910745006 [0,1,0,0,0,1|2,0,0]=4 607 B12R1.49 COC(=O)NC1=CC=C(C=C1)C MCULE-5609592007 [0,1,0,0,0,1|2,0,0]=4 608 B12R1.49 COC(=O)NC1=CC=C(C=N1)Br MCULE-8708684802 [0,1,0,0,0,1|2,0,0]=4 609 B12R1.49 COC(=O)NC1=CC=C(C=N1)Cl MCULE-6918154736 [0,1,0,0,0,1|2,0,0]=4 610 B12R1.49 COC(=O)NC1=NC=C(C=C1)C MCULE-4421126179 [0,1,0,0,0,1|1,0,0]=3 611 B12R1.49 O=C(CCl)NC1=CC=C(C=N1)Cl MCULE-4987906686 [0,1,0,0,0,1|2,0,0]=4 612 B12R1.49 O=C(CCl)NC1=NC=C(C=C1)Br MCULE-1111904930 [0,1,0,0,0,1|2,0,0]=4 613 B12R1.49 O=C(CCl)NC1=NC=C(C=C1)Cl MCULE-1748009959 [0,1,0,0,0,1|2,0,0]=4 614 B12R1.49 O=C(CCl)NC1=NC=C(C=C1)I MCULE-3468736759 [0,1,0,0,0,1|2,0,0]=4 615 B12R1.49 O=C(CCl)NC1=NN=C(C=C1)Cl MCULE-6595472134 [0,1,0,0,0,1|2,0,0]=4 616 B12R1.106 CC1=CN=C(C=C1)NS(=O)(=O)C MCULE-1618450174 [0,1,0,0,0,1|2,0,0]=4 617 B12R1.233 CC(=O)NC1=C(C=C(C=C1)C)C MCULE-8126747220 [0,1,0,0,0,1|2,0,0]=4 618 B12R1.233 CC(=O)NC1=C(C=C(C=C1)C)F MCULE-4926420143 [0,1,0,0,0,1|2,0,0]=4 619 B12R1.233 CC(=O)NC1=C(C=C(C=C1)C)O MCULE-7536521143 [0,1,0,0,0,1|2,0,0]=4 620 B12R1.233 CC(=O)NC1=C(C=C(C=N1)Br)C MCULE-5070633017 [0,1,0,0,0,1|2,0,0]=4 621 B12R1.233 CC(=O)NC1=C(C=C(C=N1)C)Br MCULE-9264052086 [0,1,0,0,0,1|1,0,0]=3 622 B12R1.233 CC(=O)NC1=CC=C(C=C1Br)C MCULE-1004671511 [0,1,0,0,0,1|2,0,0]=4 623 B12R1.233 CC(=O)NC1=CC=C(C=C1N)C MCULE-6937329819 [0,1,0,0,0,1|2,0,0]=4 624 B12R1.233 CC(=O)NC1=N(=O)C=C(C=C1)C MCULE-8573893558 [0,1,0,0,0,1|1,0,1]=4 625 B12R1.233 CC(=O)NC1=NC=C(C=C1Br)Br MCULE-7544108292 [0,1,0,0,0,1|2,0,0]=4 626 B12R1.233 CC(=O)NC1=NC=C(C=C1Br)F MCULE-7972689284 [0,1,0,0,0,1|2,0,0]=4 627 B12R1.233 CC(=O)NC1=NC=C(C=C1Br)N MCULE-3828020095 [0,1,0,0,0,1|2,0,0]=4 628 B12R1.233 CC(=O)NC1=NC=C(C=C1N)C MCULE-7224406384 [0,1,0,0,0,1|1,0,0]=3 629 B12R1.233 CC(=O)NC1=NC=C(C=C1O)Cl MCULE-3414802243 [0,1,0,0,0,1|2,0,0]=4 630 B12R1.233 CC(=O)NC1=NN=C(C=C1C)Cl MCULE-5225384026 [0,1,0,0,0,1|2,0,0]=4 631 B12R1.26 C=CC(=O)NCC1=NOC(=C1)C MCULE-5597254392 [0,1,0,0,0,1|0,0,1]=3 632 B12R1.26 CCC(=O)NCC1=CC(=NO1)C MCULE-4666721775 [0,1,0,0,0,1|2,0,0]=4 633 B12R1.103 CC1=CC(=NO1)C(=O)NC(C)C MCULE-7262884291 [0,1,0,0,0,1|1,0,1]=4 634 B12R1.104 CC1=CC(=NO1)NC(=O)C(=O)N MCULE-1266089864 [0,1,0,0,0,1|1,0,0]=3 635 B12R1.104 CC1=CC(=NO1)NC(=O)C(=O)O MCULE-1531324129 [0,1,0,0,0,1|1,0,0]=3 636 B12R1.104 CC1=CC(=NO1)NC(=O)C(C)C MCULE-9781783626 [0,1,0,0,0,1|1,0,1]=4 637 B12R1.104 CC1=CC(=NO1)NC(=O)C(C)Cl MCULE-3650396912 [0,1,0,0,0,1|1,0,1]=4 638 B12R1.104 CC1=CC(=NO1)NC(=O)[C@H](C)N MCULE-2103063912 [0,1,0,0,0,1|1,0,1]=4 639 B12R1.104 CC1=CC(=NO1)NC(=O)[C@H](C)N MCULE-6805868198 [0,1,0,0,0,1|1,0,1]=4 640 B12R1.110 CC(=O)NCC1=NC(=C(N1)C)C MCULE-4448217477 [0,1,0,0,0,1|2,0,0]=4 641 B12R1.836 CC1=CC(=NO1)COS(=O)(=O)C MCULE-1857846305 [0,1,0,0,0,1|2,0,0]=4 642 B12R1.50 CC1=CC(=CC=C1)NC(=O)CBr MCULE-3549859465 [0,1,0,0,0,1|2,0,0]=4 643 B12R1.50 CC1=CC(=CC=C1)NC(=O)CCl MCULE-3949882094 [0,1,0,0,0,1|2,0,0]=4 644 B12R1.50 CC1=CC(=CC=C1)NC(=O)CN MCULE-7070265710 [0,1,0,0,0,1|2,0,0]=4 645 B12R1.50 CC1=CC(=CC=C1)NC(=O)CN MCULE-8124278499 [0,1,0,0,0,1|2,0,0]=4 646 B12R1.50 CC1=CC=CC(=C1)NC(=O)CO MCULE-9368588561 [0,1,0,0,0,1|2,0,0]=4 647 B12R1.50 CC1=CC=CC(=C1)NC(=O)CS MCULE-3798082309 [0,1,0,0,0,1|2,0,0]=4 648 B12R1.50 CC1=CC=NC(=N1)NC(=O)CCl MCULE-4402082834 [0,1,0,0,0,1|2,0,0]=4 649 B12R1.50 CCC(=O)NC1=CC(=CN=C1)Br MCULE-9653719291 [0,1,0,0,0,1|2,0,0]=4 650 B12R1.50 CCC(=O)NC1=CC=CC(=C1)C MCULE-6591166659 [0,1,0,0,0,1|2,0,0]=4 651 B12R1.50 CCC(=O)NC1=NC=CC(=C1)Br MCULE-4633048773 [0,1,0,0,0,1|2,0,0]=4 652 B12R1.50 CNC(=O)NC1=CC(=CC=C1)C MCULE-6439196679 [0,1,0,0,0,1|2,0,0]=4 653 B12R1.50 CNC(=S)NC1=NC=CC(=C1)C MCULE-5256176268 [0,1,0,0,0,1|1,1,0]=4 654 B12R1.50 COC(=O)CC1=CN=CC(=C1)C MCULE-1002263191 [0,1,0,0,0,1|2,0,0]=4 655 B12R1.50 COC(=O)CC1=NC=CC(=C1)C MCULE-2860746373 [0,1,0,0,0,1|2,0,0]=4 656 B12R1.50 COC(=O)NC1=CC(=CC=C1)C MCULE-7415302363 [0,1,0,0,0,1|2,0,0]=4 657 B12R1.50 COC(=O)NC1=CC(=CN=C1)I MCULE-7488498873 [0,1,0,0,0,1|2,0,0]=4 658 B12R1.50 COC(=O)NC1=NC=CC(=C1)Cl MCULE-9816258519 [0,1,0,0,0,1|2,0,0]=4 659 B12R1.101 CC(=O)NC1=CC(=CC(=C1)C)C MCULE-2632514086 [0,1,0,0,0,1|2,0,0]=4 660 B12R1.101 CC(=O)NC1=CC(=NC(=N1)C)C MCULE-5775642747 [0,1,0,0,0,1|1,0,0]=3 661 B12R1.101 CC(=O)NC1=CC(=O)NC(=N1)C MCULE-1799711775 [0,1,0,0,0,1|2,0,0]=4 662 B12R1.101 CC(=O)NC1=NC(=CC(=N1)Cl)C MCULE-6011375840 [0,1,0,0,0,1|2,0,0]=4 663 B12R1.101 CC(=O)NC1=NC(=CC(=N1)O)C MCULE-3396065367 [0,1,0,0,0,1|2,0,0]=4 664 B12R1.101 CC(=O)SC1=NC(=NC(=C1)C)S MCULE-2242535933 [0,1,0,0,0,1|2,0,0]=4 665 B12R1.119 CC1=CC(=NC=C1)NS(=O)(=O)C MCULE-8942853757 [0,1,0,0,0,1|2,0,0]=4 666 B12R1.127 CC(=O)NC1=C(C=CC(=C1)C)Br MCULE-5165039600 [0,1,0,0,0,1|2,0,0]=4 667 B12R1.127 CC(=O)NC1=C(C=CC(=C1)C)F MCULE-1302868375 [0,1,0,0,0,1|2,0,0]=4 668 B12R1.127 CC(=O)NC1=C(C=CC(=C1)C)N MCULE-1087127888 [0,1,0,0,0,1|2,0,0]=4 669 B12R1.127 CC(=O)NC1=C(C=CC(=C1)C)O MCULE-7257073179 [0,1,0,0,0,1|2,0,0]=4 670 B12R1.127 CC(=O)NC1=CC(=CC=C1C)C MCULE-4999093951 [0,1,0,0,0,1|2,0,0]=4 671 B12R1.127 CC(=O)NC1=CC(=CC=[N+]1[O-])C MCULE-7379709964 [0,1,0,0,0,1|1,0,1]=4 672 B12R1.127 CC(=O)NC1=CC(=CN=C1C)Br MCULE-7620236731 [0,1,0,0,0,1|2,0,0]=4 673 B12R1.127 CC(=O)NC1=CC(=CN=C1O)I MCULE-5004121372 [0,1,0,0,0,1|2,0,0]=4 674 B12R1.127 CC(=O)NC1=CC(=NC=C1Br)C MCULE-3234280692 [0,1,0,0,0,1|2,0,0]=4 675 B12R1.127 CC(=O)NC1=CC(=NN=C1Cl)Cl MCULE-5535417832 [0,1,0,0,0,1|2,0,0]=4 676 B12R1.224 CC(=O)NC1=C(C(=CC=C1)C)C MCULE-2629934059 [0,1,0,0,0,1|2,0,0]=4 677 B12R1.224 CC(=O)NC1=C(C(=CN=C1)I)O MCULE-5947634344 [0,1,0,0,0,1|2,0,0]=4 678 B12R1.224 CC(=O)NC1=CC=CC(=C1Cl)C MCULE-4550725452 [0,1,0,0,0,1|2,0,0]=4 679 B12R1.438 C#CC1=CC(=NC=C1)NC(=O)C MCULE-2417412918 [0,1,0,0,0,1|1,0,1]=4 680 B12R1.438 CC(=O)NC1=CC(=CC=C1)CCl MCULE-1283547575 [0,1,0,0,0,1|2,0,0]=4 681 B12R1.438 CC(=O)NC1=CC(=CC=C1)CN MCULE-5796312335 [0,1,0,0,0,1|2,0,0]=4 682 B12R1.438 CC(=O)NC1=CC(=CC=C1)CN MCULE-7139736297 [0,1,0,0,0,1|2,0,0]=4 683 B12R1.438 CC(=O)NC1=CC(=CC=C1)CO MCULE-7756321779 [0,1,0,0,0,1|2,0,0]=4 684 B12R1.438 CC(=O)NC1=CC(=CN=C1)C#N MCULE-2934801398 [0,1,0,0,0,1|1,0,1]=4 685 B12R1.438 CC(=O)NC1=CC(=NC=C1)CN MCULE-4961579107 [0,1,0,0,0,1|2,0,0]=4 686 B12R1.438 CC(=O)NC1=CC(=NC=C1)CN MCULE-5518290564 [0,1,0,0,0,1|2,0,0]=4 687 B12R1.438 CC(=O)NC1=CC(=NC=C1)CO MCULE-4625047614 [0,1,0,0,0,1|2,0,0]=4 688 B12R1.438 CC(=O)NC1=CC=CC(=C1)CBr MCULE-7715535055 [0,1,0,0,0,1|2,0,0]=4 689 B12R1.438 CC(=O)NC1=NC=CC(=C1)C=O MCULE-7188910128 [0,1,0,0,0,1|1,0,1]=4 690 B12R1.438 CNC1=CC(=CC=C1)NC(=O)C MCULE-7478816791 [0,1,0,0,0,1|2,0,0]=4 691 B12R1.438 COC1=CC=CC(=C1)NC(=O)C MCULE-5524716683 [0,1,0,0,0,1|2,0,0]=4 692 B12R1.438 CSC1=CC(=CC=C1)NC(=O)C MCULE-6542128302 [0,1,0,0,0,1|2,0,0]=4 693 B12R1.31 C/C=C/C(=O)NC1=NN=C(S1)C MCULE-3951816275 [0,2,0,0,0,0|2,0,0]=4 694 B12R1.31 CC1=CC(=NO1)NC(=O)CC#N MCULE-3481476676 [0,2,0,0,0,0|0,0,0]=2 695 B12R1.31 CC1=CC(=NO1)NC(=O)CCCl MCULE-2593514461 [0,2,0,0,0,0|0,0,0]=2 696 B12R1.31 CC1=CN=C(S1)NC(=O)CCN MCULE-3290253838 [0,2,0,0,0,0|2,0,0]=4 697 B12R1.31 CC1=NN=C(S1)NC(=O)CC#N MCULE-3225365799 [0,2,0,0,0,0|2,0,0]=4 698 B12R1.31 CC1=NN=C(S1)NC(=O)CCCl MCULE-3733834718 [0,2,0,0,0,0|2,0,0]=4 699 B12R1.31 CC1=NOC(=C1)NC(=O)CCN MCULE-1252191868 [0,2,0,0,0,0|2,0,0]=4 700 B12R1.31 CC1=NOC(=C1)NC(=O)CCN MCULE-8606812256 [0,2,0,0,0,0|2,0,0]=4 701 B12R1.31 CCCC(=O)NC1=NC=C(S1)C MCULE-7946322218 [0,2,0,0,0,0|2,0,0]=4 702 B12R1.31 CCCC(=O)NC1=NN=C(S1)C MCULE-9377042861 [0,2,0,0,0,0|2,0,0]=4 703 B12R1.31 CCCC(=O)NC1=NOC(=C1)C MCULE-5628351929 [0,2,0,0,0,0|0,0,0]=2 704 B12R1.31 CCOC(=O)NC1=CN(N=N1)C MCULE-6494859047 [0,2,0,0,0,0|2,0,0]=4 705 B12R1.31 CCOC(=O)NC1=NOC(=C1)C MCULE-6921278243 [0,2,0,0,0,0|0,0,0]=2 706 B12R1.31 CNCC(=O)NC1=NOC(=C1)C MCULE-1497665914 [0,2,0,0,0,0|0,0,0]=2 707 B12R1.31 CNCC(=O)NC1=NOC(=C1)C MCULE-4998458294 [0,2,0,0,0,0|0,0,0]=2 708 B12R1.31 COCC(=O)NC1=NN=C(S1)C MCULE-1591467246 [0,2,0,0,0,0|2,0,0]=4 709 B12R1.31 COCC(=O)NC1=NOC(=C1)C MCULE-7904851071 [0,2,0,0,0,0|0,0,0]=2 710 B12R1.61 CCC(=O)NC1=NN=C(S1)CC MCULE-4632253156 [0,2,0,0,0,0|2,0,0]=4 711 B12R1.61 CCC(=O)NC1=NN=C(S1)SC MCULE-3086612513 [0,2,0,0,0,0|2,0,0]=4 712 B12R1.61 CCC(=O)NC1=NNC(=N1)SC MCULE-9484569737 [0,2,0,0,0,0|2,0,0]=4 713 B12R1.61 CCC1=NN=C(S1)NC(=O)CCl MCULE-9199114898 [0,2,0,0,0,0|2,0,0]=4 714 B12R1.61 CCC1=NN=C(S1)NC(=O)OC MCULE-6594544148 [0,2,0,0,0,0|2,0,0]=4 715 B12R1.61 CNC(=O)CC1=NOC(=N1)CCl MCULE-9541793733 [0,2,0,0,0,0|2,0,0]=4 716 B12R1.61 CNC(=O)NC1=NN=C(N1)SC MCULE-4899012144 [0,2,0,0,0,0|2,0,0]=4 717 B12R1.61 CNC(=O)OC1=NOC(=C1)CCl MCULE-8768351708 [0,2,0,0,0,0|1,0,0]=3 718 B12R1.61 CSC1=NN=C(S1)NC(=O)CCl MCULE-4521604180 [0,2,0,0,0,0|2,0,0]=4 719 B12R1.61 O=C(CO)NC1=NN=C(N1)CO MCULE-7204867661 [0,2,0,0,0,0|2,0,0]=4 720 B12R1.193 CCS(=O)(=O)NC1=NOC(=C1)C MCULE-3824757591 [0,2,0,0,0,0|1,0,0]=3 721 B12R1.193 CNS(=O)(=O)CC1=NOC(=C1)C MCULE-3436346180 [0,2,0,0,0,0|2,0,0]=4 722 B12R1.532 CC1=NN(C(=C1)NC(=O)CCl)C MCULE-4258983148 [0,2,0,0,0,0|1,0,1]=4 723 B12R1.532 CC1=NN(C(=C1)NC(=O)CN)C MCULE-1658785009 [0,2,0,0,0,0|1,0,1]=4 724 B12R1.532 CC1=NN(C(=C1)NC(=O)CN)C MCULE-2529083479 [0,2,0,0,0,0|1,0,1]=4 725 B12R1.532 CNC(=O)NC1=CC(=NN1C)C MCULE-4162513115 [0,2,0,0,0,0|1,0,1]=4 726 B12R1.533 CC1=C(SC(=N1)NC(=O)CCl)C MCULE-5802168210 [0,2,0,0,0,0|2,0,0]=4 727 B12R1.533 CC1=CC(=NN1C)NC(=O)CCl MCULE-2464430641 [0,2,0,0,0,0|1,0,0]=3 728 B12R1.182 CC(=O)NC1=NN=C(S1)CC#N MCULE-1356052715 [0,2,0,0,0,0|2,0,0]=4 729 B12R1.182 CC(=O)NC1=NN=C(S1)CCBr MCULE-4886839481 [0,2,0,0,0,0|2,0,0]=4 730 B12R1.182 CC(=O)NC1=NN=C(S1)CCN MCULE-7304810205 [0,2,0,0,0,0|2,0,0]=4 731 B12R1.182 CC(=O)NC1=NN=C(S1)CCN MCULE-7542938576 [0,2,0,0,0,0|2,0,0]=4 732 B12R1.182 CCCC1=NN=C(S1)NC(=O)C MCULE-9920292138 [0,2,0,0,0,0|2,0,0]=4 733 B12R1.182 CCSC1=NN=C(N1)NC(=O)C MCULE-3127006375 [0,2,0,0,0,0|2,0,0]=4 734 B12R1.182 CCSC1=NN=C(S1)NC(=O)C MCULE-4441918432 [0,2,0,0,0,0|2,0,0]=4 735 B12R1.182 COCC1=NN=C(S1)NC(=O)C MCULE-4615643331 [0,2,0,0,0,0|2,0,0]=4 736 B12R1.389 CC(=O)NC1=NC=C(S1)C(C)O MCULE-3450152688 [0,2,0,0,0,0|2,0,0]=4 737 B12R1.389 CC(=O)NC1=NC=C(S1)[C@H](C)O MCULE-6978069315 [0,2,0,0,0,0|2,0,0]=4 738 B12R1.389 CC(=O)NC1=NN=C(S1)C(C)C MCULE-7470421988 [0,2,0,0,0,0|2,0,0]=4 739 B12R1.89 CC(=O)NC1=C(C(=CN1)C)C#N MCULE-4635429855 [0,2,0,0,0,0|1,0,1]=4 740 B12R1.89 CC1=C(C(=NO1)CC(=O)O)C#N MCULE-1124269404 [0,2,0,0,0,0|2,0,0]=4 741 B10R1.13 CC(=O)C1=CC=C(C=N1)C MCULE-1634530394 [0,0,1,1,0,0|2,0,0]=4 742 B10R1.13 CC(=O)C1=CC=C(N=N1)C MCULE-9005008495 [0,0,1,1,0,0|2,0,0]=4 743 B10R1.13 CC(=O)C1=NC=C(C=C1)C MCULE-9958857187 [0,0,1,1,0,0|2,0,0]=4 744 B10R1.18 CC(=O)NC1=CN=CC=N1 MCULE-6162528979 [0,0,1,1,0,0|2,0,0]=4 745 B10R1.18 CC(=O)NC1=NC=CC=C1 MCULE-5836577741 [0,0,1,1,0,0|1,0,1]=4 746 B10R1.192 CC(=O)C1=C(ON=C1C)C MCULE-6909883836 [0,0,1,1,0,0|1,0,1]=4 747 B10R1.113 CC(=O)C1=CC(=CN=C1)C MCULE-5628044845 [0,0,1,1,0,0|2,0,0]=4 748 B12R2.606 CC1=CC2=C(N=C1)NC(=C2)C MCULE-9439398960 [0,0,0,1,0,1|2,0,0]=4 749 B12R2.606 CC1=CC=C2NC(=O)CC2=C1 MCULE-6031240511 [0,0,0,1,0,1|2,0,0]=4 750 B12R2.606 CC1=CN=C2NC(=O)CC2=C1 MCULE-2068145429 [0,0,0,1,0,1|1,0,0]=3 751 B12R2.606 NC1=CN=C2NC(=O)CC2=C1 MCULE-7483038414 [0,0,0,1,0,1|2,0,0]=4 752 B12R2.606 O=C1CC2=C(N1)N=CC(=C2)Br MCULE-1884783069 [0,0,0,1,0,1|2,0,0]=4 753 B12R2.606 O=C1CC2=C(N1)N=CC(=C2)Cl MCULE-1788212328 [0,0,0,1,0,1|2,0,0]=4 754 B12R2.606 O=C1CC2=C(N1)N=CC(=C2)O MCULE-3427118224 [0,0,0,1,0,1|2,0,0]=4 755 B12R2.606 O=C1CC2=C(N1)N=CC(=N2)Br MCULE-8967626031 [0,0,0,1,0,1|2,0,0]=4 756 B12R2.606 O=C1CC2=CC(=CN=C2N1)F MCULE-9532717920 [0,0,0,1,0,1|2,0,0]=4 757 B12R2.606 O=C1CC2=CC(=CN=C2N1)I MCULE-6694996264 [0,0,0,1,0,1|2,0,0]=4 758 B12R2.2298 CC1=CC(=NO1)CNC2CC2 MCULE-5975053644 [0,0,0,1,0,1|1,0,1]=4 759 B12R2.202 CC1=C2CC(=O)NC2=CC=N1 MCULE-8339974336 [0,0,0,1,0,1|2,0,0]=4 760 B12R2.202 CC1=C2CC(=O)NC2=NC=C1 MCULE-5112980869 [0,0,0,1,0,1|1,0,0]=3 761 B12R2.202 CC1=C2NC(=O)NC2=NC=N1 MCULE-3338206753 [0,0,0,1,0,1|2,0,0]=4 762 B12R2.202 CC1=CC2=C(C=CN=C2N1)C MCULE-4036836690 [0,0,0,1,0,1|2,0,0]=4 763 B12R2.202 CC1=CC=CC2=C1CC(=O)N2 MCULE-6916655583 [0,0,0,1,0,1|2,0,0]=4 764 B12R2.202 CC1=CC=NC2=C1N=C(N2)C MCULE-5661498757 [0,0,0,1,0,1|2,0,0]=4 765 B12R2.202 CC1=CC=NC2=C1NC(=O)N2 MCULE-1854710678 [0,0,0,1,0,1|2,0,0]=4 766 B12R2.202 CC1=CN=CC2=C1CC(=O)N2 MCULE-2674916372 [0,0,0,1,0,1|1,0,0]=3 767 B12R2.202 NC1=CN=CC2=C1CC(=O)N2 MCULE-7130413515 [0,0,0,1,0,1|2,0,0]=4 768 B12R2.202 O=C1CC2=C(C=CN=C2N1)Br MCULE-7626487377 [0,0,0,1,0,1|2,0,0]=4 769 B12R2.202 O=C1CC2=C(C=CN=C2N1)Cl MCULE-3876147119 [0,0,0,1,0,1|2,0,0]=4 770 B12R2.202 O=C1CC2=C(C=CN=C2N1)F MCULE-5018023185 [0,0,0,1,0,1|2,0,0]=4 771 B12R2.202 O=C1CC2=C(C=CN=C2N1)I MCULE-3963651701 [0,0,0,1,0,1|2,0,0]=4 772 B12R2.202 O=C1CC2=C(N1)C=NC=C2Br MCULE-3676198579 [0,0,0,1,0,1|2,0,0]=4 773 B12R2.202 O=C1CC2=C(N1)C=NC=C2F MCULE-8945240118 [0,0,0,1,0,1|2,0,0]=4 774 B12R2.202 O=C1CC2=C(N1)N=CC=C2O MCULE-6340954285 [0,0,0,1,0,1|2,0,0]=4 775 B12R2.202 O=C1CC2=C(N=CN=C2N1)Cl MCULE-9188479997 [0,0,0,1,0,1|2,0,0]=4 776 B8R0.9 COC(=O)/C=C/C(=O)C MCULE-7597345789 [0,0,1,0,1,0|2,0,0]=4 777 B8R0.9 COC(=O)C=CC(=O)C MCULE-5746687781 [0,0,1,0,1,0|2,0,0]=4 778 B8R0.23 C=C(NC(=O)C)C(=O)O MCULE-6963284423 [0,0,1,0,1,0|2,0,0]=4 779 B8R1.7 CC(=O)C1=CC=CN1 MCULE-8111376055 [1,0,0,0,1,0|1,0,1]=4 780 B8R1.7 CC(=O)C1=CC=CO1 MCULE-6389695813 [1,0,0,0,1,0|2,0,0]=4 781 B8R1.7 CC(=O)C1=CC=CS1 MCULE-7771755380 [1,0,0,0,1,0|2,0,0]=4 782 B8R1.7 CC(=O)C1=CC=NO1 MCULE-6400530220 [1,0,0,0,1,0|2,0,0]=4 783 B8R1.7 CC(=O)C1=CC=NO1 MCULE-7437421488 [1,0,0,0,1,0|2,0,0]=4 784 B8R1.7 CC(=O)C1=CC=NS1 MCULE-6790489481 [1,0,0,0,1,0|2,0,0]=4 785 B8R1.7 CC(=O)C1=CNC=C1 MCULE-6298298881 [1,0,0,0,1,0|2,0,0]=4 786 B8R1.7 CC(=O)C1=CNC=N1 MCULE-1707621771 [1,0,0,0,1,0|2,0,0]=4 787 B8R1.7 CC(=O)C1=CNC=N1 MCULE-5046690186 [1,0,0,0,1,0|2,0,0]=4 788 B8R1.7 CC(=O)C1=CNN=N1 MCULE-8186228258 [1,0,0,0,1,0|2,0,0]=4 789 B8R1.7 CC(=O)C1=CNN=N1 MCULE-8747452765 [1,0,0,0,1,0|2,0,0]=4 790 B8R1.7 CC(=O)C1=COC=C1 MCULE-5791648334 [1,0,0,0,1,0|1,0,0]=3 791 B8R1.7 CC(=O)C1=COC=N1 MCULE-4496552775 [1,0,0,0,1,0|2,0,0]=4 792 B8R1.7 CC(=O)C1=CON=C1 MCULE-6833834209 [1,0,0,0,1,0|2,0,0]=4 793 B8R1.7 CC(=O)C1=CSC=C1 MCULE-3092440506 [1,0,0,0,1,0|1,1,0]=4 794 B8R1.7 CC(=O)C1=CSC=N1 MCULE-4510751071 [1,0,0,0,1,0|2,0,0]=4 795 B8R1.7 CC(=O)C1=CSN=N1 MCULE-7632786596 [1,0,0,0,1,0|2,0,0]=4 796 B8R1.7 CC(=O)C1=C[Se]C=C1 MCULE-3604526457 [1,0,0,0,1,0|1,1,0]=4 797 B8R1.7 CC(=O)C1=NC=CN1 MCULE-5563475674 [1,0,0,0,1,0|2,0,0]=4 798 B8R1.7 CC(=O)C1=NC=CN1 MCULE-8301653421 [1,0,0,0,1,0|2,0,0]=4 799 B8R1.7 CC(=O)C1=NC=CO1 MCULE-4439017055 [1,0,0,0,1,0|2,0,0]=4 800 B8R1.7 CC(=O)C1=NC=CS1 MCULE-8609457131 [1,0,0,0,1,0|2,0,0]=4 801 B8R1.7 CC(=O)C1=NNC=C1 MCULE-1764885364 [1,0,0,0,1,0|1,0,0]=3 802 B8R1.7 CC(=O)C1=NNC=C1 MCULE-2223319558 [1,0,0,0,1,0|1,0,0]=3 803 B8R1.7 CC(=O)C1=NNN=C1 MCULE-3528005164 [1,0,0,0,1,0|2,0,0]=4 804 B8R1.7 CC(=O)C1=NOC=C1 MCULE-5515132953 [1,0,0,0,1,0|0,0,0]=2 805 B8R1.7 CC(=O)C1=NOC=N1 MCULE-8431148879 [1,0,0,0,1,0|1,0,0]=3 806 B8R1.7 CC(=O)C1=NSC=C1 MCULE-3804368348 [1,0,0,0,1,0|0,1,0]=3 807 B8R1.7 CC(=O)N1C=CC=N1 MCULE-4064811074 [1,0,0,0,1,0|2,0,0]=4 808 B8R1.7 CC(N)C1=NOC=C1 MCULE-7730685562 [1,0,0,0,1,0|1,0,1]=4 809 B8R1.7 NC(=O)C1=COC=C1 MCULE-2350121576 [1,0,0,0,1,0|2,0,0]=4 810 B8R1.7 NC(=O)C1=NSC=C1 MCULE-1600606100 [1,0,0,0,1,0|1,1,0]=4 811 B8R1.7 O=C(Cl)C1=COC=C1 MCULE-6792513805 [1,0,0,0,1,0|2,0,0]=4 812 B8R1.7 O=C(Cl)C1=NOC=C1 MCULE-4964682055 [1,0,0,0,1,0|1,0,0]=3 813 B8R1.7 O=C(Cl)C1=NOC=N1 MCULE-2566849314 [1,0,0,0,1,0|2,0,0]=4 814 B8R1.7 O=C(Cl)C1=NON=C1 MCULE-4470365498 [1,0,0,0,1,0|2,0,0]=4 815 B8R1.7 O=C(O)C1=COC=C1 MCULE-9346491380 [1,0,0,0,1,0|2,0,0]=4 816 B8R1.7 O=C(O)C1=NNC=C1 MCULE-5843831241 [1,0,0,0,1,0|2,0,0]=4 817 B8R1.7 O=C(O)C1=NOC=C1 MCULE-3455230166 [1,0,0,0,1,0|1,0,0]=3 818 B8R1.7 O=C(O)C1=NOC=N1 MCULE-6368000131 [1,0,0,0,1,0|2,0,0]=4 819 B8R1.7 O=C(O)C1=NON=C1 MCULE-3271564015 [1,0,0,0,1,0|2,0,0]=4 820 B8R1.7 O=C(O)C1=NSC=C1 MCULE-1466108511 [1,0,0,0,1,0|1,1,0]=4 821 B10R1.1 CC1=CC=C(C=C1)NC=O MCULE-3959593317 [1,0,0,0,0,1|2,0,0]=4 822 B10R1.1 CCNC1=NN=C(C=C1)C MCULE-3653845331 [1,0,0,0,0,1|1,0,1]=4 823 B10R1.1 O=CNC1=NC=C(C=C1)Cl MCULE-2042329730 [1,0,0,0,0,1|2,0,0]=4 824 B10R1.66 CC(=O)NCC1=CC=CO1 MCULE-3515662037 [1,0,0,0,0,1|2,0,0]=4 825 B10R1.66 CC(=O)NCC1=CC=CS1 MCULE-9977095360 [1,0,0,0,0,1|2,0,0]=4 826 B10R1.66 CC(=O)NCC1=NC=CN1 MCULE-2002294602 [1,0,0,0,0,1|2,0,0]=4 827 B10R1.66 O=C(O)CCC1=NOC=C1 MCULE-7542127444 [1,0,0,0,0,1|2,0,0]=4 828 B10R1.66 O=C(O)CNC1=NNC=C1 MCULE-8140407014 [1,0,0,0,0,1|2,0,0]=4 829 B10R1.66 O=C(O)COC1=NOC=C1 MCULE-7331920513 [1,0,0,0,0,1|2,0,0]=4 830 B10R1.66 O=C([O-])COC1=NOC=C1 MCULE-4228654195 [1,0,0,0,0,1|2,0,0]=4 831 B12R1.21 CC(=O)/C=C/C1=NC=C(C=C1)C MCULE-5181621973 [0,0,0,0,0,2|2,0,0]=4 832 B12R1.21 CC(=O)C=CC1=NC=C(C=C1)C MCULE-6162051128 [0,0,0,0,0,2|2,0,0]=4 833 B12R1.21 CC(=O)NCC1=CC=C(C=C1)C MCULE-9377579573 [0,0,0,0,0,2|2,0,0]=4 834 B12R1.21 CC(=O)NCC1=NC=C(C=C1)N MCULE-7995818685 [0,0,0,0,0,2|2,0,0]=4 835 B12R1.21 CC(=O)NCC1=NC=C(N=C1)Cl MCULE-2628803801 [0,0,0,0,0,2|2,0,0]=4 836 B12R1.21 CC(=O)NNC1=CC=C(C=C1)C MCULE-4404294470 [0,0,0,0,0,2|2,0,0]=4 837 B12R1.21 CC(=O)NNC1=NC=C(C=C1)Br MCULE-8716671547 [0,0,0,0,0,2|2,0,0]=4 838 B12R1.21 CC(=O)NNC1=NC=C(C=N1)Br MCULE-7262387892 [0,0,0,0,0,2|2,0,0]=4 839 B12R1.105 CC1=CC(=NO1)COCC(=O)O MCULE-6510619416 [0,0,0,0,0,2|2,0,0]=4 840 B12R1.105 CC1=CC(=NO1)CSCC(=O)O MCULE-7409336877 [0,0,0,0,0,2|2,0,0]=4 841 B12R1.105 CC1=CC(=NO1)NCCC(=O)O MCULE-8771631045 [0,0,0,0,0,2|1,0,0]=3 842 B12R1.226 CC(=O)NCC1=NC=CC(=C1)Br MCULE-1734458635 [0,0,0,0,0,2|2,0,0]=4