0 B9R1.69 C=C1CCC(=O)NC1=O MCULE-9917847735 [0,0,0,0,0,0|2,0,1]=3 1 B9R1.69 CC1=C(C=CC(=C1)I)N MCULE-8233941663 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.69 CC1=C(C=CC(=C1)O)N MCULE-5234030253 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.69 CC1=C(C=CC(=C1)O)N MCULE-5448336083 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.69 CC1=C(C=CC(=N1)Br)N MCULE-7072808043 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.69 CC1=C(C=CC(=N1)N)N MCULE-5145175817 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.69 CC1=C(C=CC(=N1)O)N MCULE-2882946539 [0,0,0,0,0,0|2,0,2]=4 7 B9R1.69 CC1=C(C=CC(=O)N1)Br MCULE-4521117941 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.69 CC1=C(C=CC(=O)N1)F MCULE-7194077740 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.69 CC1=C(C=CC(=O)N1)I MCULE-5617997142 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.69 CC1=C(C=NC(=C1)I)N MCULE-1114740493 [0,0,0,0,0,0|3,0,1]=4 11 B9R1.69 CC1=C(C=NC(=N1)Cl)N MCULE-3595997823 [0,0,0,0,0,0|2,0,2]=4 12 B9R1.69 CC1=C(C=NC(=O)N1)Br MCULE-4433615327 [0,0,0,0,0,0|2,0,1]=3 13 B9R1.69 CC1=C(C=NC(=O)N1)Br MCULE-9820279136 [0,0,0,0,0,0|2,0,1]=3 14 B9R1.69 CC1=C(NC(=O)C=C1)C MCULE-4420397888 [0,0,0,0,0,0|3,0,0]=3 15 B9R1.69 CC1=C(NC(=O)C=N1)C MCULE-9118396111 [0,0,0,0,0,0|4,0,0]=4 16 B9R1.69 CC1=CC(=C(C=C1)N)Br MCULE-1151071188 [0,0,0,0,0,0|4,0,0]=4 17 B9R1.69 CC1=CC(=C(C=C1)N)Cl MCULE-3883467501 [0,0,0,0,0,0|4,0,0]=4 18 B9R1.69 CC1=CC(=C(C=C1)N)I MCULE-1202049214 [0,0,0,0,0,0|4,0,0]=4 19 B9R1.69 CC1=CC(=C(C=C1)N)N MCULE-4665726211 [0,0,0,0,0,0|4,0,0]=4 20 B9R1.69 CC1=CC(=C(C=C1)N)O MCULE-9380082051 [0,0,0,0,0,0|3,0,1]=4 21 B9R1.69 CC1=CC(=C(C=N1)N)Br MCULE-8931469221 [0,0,0,0,0,0|3,0,1]=4 22 B9R1.69 CC1=CC(=C(C=N1)N)C MCULE-5980684156 [0,0,0,0,0,0|3,0,1]=4 23 B9R1.69 CC1=CC(=C(C=N1)N)N MCULE-1520580944 [0,0,0,0,0,0|3,0,1]=4 24 B9R1.69 CC1=CC(=C(C=N1)N)N MCULE-3087299896 [0,0,0,0,0,0|3,0,1]=4 25 B9R1.69 CC1=CC(=CC=C1N)Br MCULE-8866509152 [0,0,0,0,0,0|4,0,0]=4 26 B9R1.69 CC1=CC(=CC=C1N)Br MCULE-9370302894 [0,0,0,0,0,0|4,0,0]=4 27 B9R1.69 CC1=CC(=CC=C1N)Cl MCULE-1512071975 [0,0,0,0,0,0|4,0,0]=4 28 B9R1.69 CC1=CC(=CC=C1N)F MCULE-1113359644 [0,0,0,0,0,0|4,0,0]=4 29 B9R1.69 CC1=CC(=CC=C1N)F MCULE-8161111019 [0,0,0,0,0,0|4,0,0]=4 30 B9R1.69 CC1=CC(=CC=C1N)N MCULE-2531979414 [0,0,0,0,0,0|4,0,0]=4 31 B9R1.69 CC1=CC(=CC=C1N)N MCULE-6645528455 [0,0,0,0,0,0|4,0,0]=4 32 B9R1.69 CC1=CC(=CC=C1N)N MCULE-8138595213 [0,0,0,0,0,0|4,0,0]=4 33 B9R1.69 CC1=CC(=NC=C1N)Br MCULE-9925519169 [0,0,0,0,0,0|3,0,1]=4 34 B9R1.69 CC1=CC(=NC=C1N)Cl MCULE-3625520577 [0,0,0,0,0,0|3,0,1]=4 35 B9R1.69 CC1=CC(=NC=C1N)F MCULE-1899977326 [0,0,0,0,0,0|3,0,1]=4 36 B9R1.69 CC1=CC(=NC=C1N)N MCULE-7936252497 [0,0,0,0,0,0|3,0,1]=4 37 B9R1.69 CC1=CC(=NC=C1N)O MCULE-4046293542 [0,0,0,0,0,0|2,0,2]=4 38 B9R1.69 CC1=CC(=O)C(=CN1)O MCULE-1538839877 [0,0,0,0,0,0|3,0,0]=3 39 B9R1.69 CC1=CC(=O)C(=CO1)O MCULE-1008730092 [0,0,0,0,0,0|4,0,0]=4 40 B9R1.69 CC1=CC(=O)C=CC1=O MCULE-9650878933 [0,0,0,0,0,0|4,0,0]=4 41 B9R1.69 CC1=CC(=O)NC=C1Br MCULE-8891123753 [0,0,0,0,0,0|3,0,0]=3 42 B9R1.69 CC1=CC(=O)NN=C1Cl MCULE-5144372564 [0,0,0,0,0,0|4,0,0]=4 43 B9R1.69 CC1=CC(=O)NNC1=O MCULE-6634066970 [0,0,0,0,0,0|4,0,0]=4 44 B9R1.69 CC1=CC=C(C(=C1)Br)N MCULE-6768992091 [0,0,0,0,0,0|4,0,0]=4 45 B9R1.69 CC1=CC=C(C(=C1)C)N MCULE-2717912635 [0,0,0,0,0,0|4,0,0]=4 46 B9R1.69 CC1=CC=C(C(=C1)C)N MCULE-3376745916 [0,0,0,0,0,0|4,0,0]=4 47 B9R1.69 CC1=CC=C(C(=C1)F)N MCULE-8645635470 [0,0,0,0,0,0|4,0,0]=4 48 B9R1.69 CC1=CC=C(C(=C1)N)N MCULE-2756247360 [0,0,0,0,0,0|4,0,0]=4 49 B9R1.69 CC1=CC=C(C(=C1)S)N MCULE-7146736809 [0,0,0,0,0,0|3,1,0]=4 50 B9R1.69 CC1=CC=C(C(=N1)Br)N MCULE-3863895374 [0,0,0,0,0,0|3,0,1]=4 51 B9R1.69 CC1=CC=C(C(=N1)Cl)N MCULE-6304902231 [0,0,0,0,0,0|3,0,1]=4 52 B9R1.69 CC1=CC=C(C(=N1)F)N MCULE-5986384821 [0,0,0,0,0,0|3,0,1]=4 53 B9R1.69 CC1=CC=C(C(=N1)I)N MCULE-2860570396 [0,0,0,0,0,0|3,0,1]=4 54 B9R1.69 CC1=CC=C(C(=N1)N)N MCULE-1952081988 [0,0,0,0,0,0|3,0,1]=4 55 B9R1.69 CC1=CC=C(C(=N1)N)N MCULE-6457530344 [0,0,0,0,0,0|3,0,1]=4 56 B9R1.69 CC1=CC=C(C(=N1)O)N MCULE-5650555084 [0,0,0,0,0,0|2,0,2]=4 57 B9R1.69 CC1=CC=C(C(=O)N1)Cl MCULE-5441621395 [0,0,0,0,0,0|3,0,0]=3 58 B9R1.69 CC1=CC=C(C(=O)N1)N MCULE-6572218746 [0,0,0,0,0,0|2,0,0]=2 59 B9R1.69 CC1=CC=C(NC1=O)Br MCULE-2417679757 [0,0,0,0,0,0|3,0,0]=3 60 B9R1.69 CC1=CC=C(NC1=O)Cl MCULE-5412966214 [0,0,0,0,0,0|3,0,0]=3 61 B9R1.69 CC1=CN=C(C(=O)N1)N MCULE-1079946763 [0,0,0,0,0,0|3,0,0]=3 62 B9R1.69 CC1=CNC(=NC1=O)C MCULE-3546851335 [0,0,0,0,0,0|2,0,1]=3 63 B9R1.69 CC1=CNC(=O)C=C1C MCULE-7565124087 [0,0,0,0,0,0|3,0,0]=3 64 B9R1.69 CC1=CNC(=O)C=C1I MCULE-9234300230 [0,0,0,0,0,0|3,0,0]=3 65 B9R1.69 CC1=CNC(=O)N=C1Cl MCULE-8904096014 [0,0,0,0,0,0|2,0,1]=3 66 B9R1.69 CC1=CNC(=O)N=C1N MCULE-1653319899 [0,0,0,0,0,0|2,0,1]=3 67 B9R1.69 CC1=CNC(=O)N=C1N MCULE-3789550079 [0,0,0,0,0,0|2,0,1]=3 68 B9R1.69 CC1=CNC(=O)NC1=O MCULE-6356243926 [0,0,0,0,0,0|1,0,0]=1 69 B9R1.69 CC1=CNC(=O)NC1=S MCULE-2390616666 [0,0,0,0,0,0|1,1,0]=2 70 B9R1.69 CC1=CNC(=S)NC1=O MCULE-7685911178 [0,0,0,0,0,0|1,1,0]=2 71 B9R1.69 CC1=NC(=C(C=C1)N)C MCULE-8087060021 [0,0,0,0,0,0|3,0,1]=4 72 B9R1.69 CC1=NC(=CC=C1N)Cl MCULE-6694907429 [0,0,0,0,0,0|3,0,1]=4 73 B9R1.69 CC1=NC(=CC=C1N)F MCULE-3410584295 [0,0,0,0,0,0|3,0,1]=4 74 B9R1.69 CC1=NC(=CC=C1N)I MCULE-9045608039 [0,0,0,0,0,0|3,0,1]=4 75 B9R1.69 CC1=NC(=NC=C1N)Br MCULE-9413102987 [0,0,0,0,0,0|2,0,2]=4 76 B9R1.69 CC1=NC(=O)C(C=N1)N MCULE-5296511844 [0,0,0,0,0,0|1,0,3]=4 77 B9R1.69 CC1=NC=C(C(=C1)Cl)N MCULE-8879129465 [0,0,0,0,0,0|3,0,1]=4 78 B9R1.69 CC1=NC=C(C(=N1)C)N MCULE-1918612327 [0,0,0,0,0,0|2,0,2]=4 79 B9R1.69 CC1=NC=C(C(=N1)Cl)N MCULE-1026910451 [0,0,0,0,0,0|2,0,2]=4 80 B9R1.69 CC1=NC=C(C(=N1)O)N MCULE-1817529423 [0,0,0,0,0,0|1,0,3]=4 81 B9R1.69 CC1=NC=C(C(=O)N1)F MCULE-6156802397 [0,0,0,0,0,0|2,0,1]=3 82 B9R1.69 CC1=NC=C(C(=O)N1)I MCULE-9280509199 [0,0,0,0,0,0|2,0,1]=3 83 B9R1.69 CC1=NN=C(C(=O)N1)C MCULE-3345491063 [0,0,0,0,0,0|3,0,1]=4 84 B9R1.69 CC1=NN=C(NC1=O)S MCULE-1716564578 [0,0,0,0,0,0|2,1,1]=4 85 B9R1.69 CC1=NNC(=O)N=C1N MCULE-5391002563 [0,0,0,0,0,0|3,0,1]=4 86 B9R1.69 CC1=NNC(=O)NC1=O MCULE-1502977032 [0,0,0,0,0,0|2,0,0]=2 87 B9R1.69 CC1=NNC(=O)NC1=O MCULE-1807973782 [0,0,0,0,0,0|2,0,0]=2 88 B9R1.69 CC1=NNC(=O)NC1=S MCULE-2580193457 [0,0,0,0,0,0|2,1,0]=3 89 B9R1.69 CC1=NNC(=S)NC1=S MCULE-4576414863 [0,0,0,0,0,0|2,2,0]=4 90 B9R1.69 CC1CCC(=O)NC1=O MCULE-4999120435 [0,0,0,0,0,0|2,0,2]=4 91 B9R1.69 CC1CNC(=O)CC1=O MCULE-2909713030 [0,0,0,0,0,0|2,0,2]=4 92 B9R1.69 CC1NNC(=O)NC1=O MCULE-2982898824 [0,0,0,0,0,0|2,0,1]=3 93 B9R1.69 CC1NNC(=S)NC1=O MCULE-1126162722 [0,0,0,0,0,0|2,1,1]=4 94 B9R1.69 CN1C=CC(=O)NC1=O MCULE-4954410074 [0,0,0,0,0,0|3,0,0]=3 95 B9R1.69 CN1C=CC(=O)NC1=S MCULE-6286998648 [0,0,0,0,0,0|3,1,0]=4 96 B9R1.69 CN1CCC(=O)NC1=O MCULE-1338210074 [0,0,0,0,0,0|3,0,1]=4 97 B9R1.69 N=C1N=C(NC=C1N)N MCULE-9072791437 [0,0,0,0,0,0|2,0,1]=3 98 B9R1.69 NC1=C(C=C(C=C1)Br)Br MCULE-5340373736 [0,0,0,0,0,0|4,0,0]=4 99 B9R1.69 NC1=C(C=C(C=C1)Br)Cl MCULE-5433730477 [0,0,0,0,0,0|4,0,0]=4 100 B9R1.69 NC1=C(C=C(C=C1)Br)F MCULE-7764208596 [0,0,0,0,0,0|4,0,0]=4 101 B9R1.69 NC1=C(C=C(C=C1)Br)F MCULE-8341333738 [0,0,0,0,0,0|4,0,0]=4 102 B9R1.69 NC1=C(C=C(C=C1)Br)N MCULE-1768987078 [0,0,0,0,0,0|4,0,0]=4 103 B9R1.69 NC1=C(C=C(C=C1)Br)O MCULE-8354492794 [0,0,0,0,0,0|3,0,1]=4 104 B9R1.69 NC1=C(C=C(C=C1)Cl)Br MCULE-6587587123 [0,0,0,0,0,0|4,0,0]=4 105 B9R1.69 NC1=C(C=C(C=C1)Cl)I MCULE-3648256824 [0,0,0,0,0,0|4,0,0]=4 106 B9R1.69 NC1=C(C=C(C=C1)Cl)N MCULE-6271163512 [0,0,0,0,0,0|4,0,0]=4 107 B9R1.69 NC1=C(C=C(C=C1)F)F MCULE-1601832957 [0,0,0,0,0,0|4,0,0]=4 108 B9R1.69 NC1=C(C=C(C=C1)F)I MCULE-5782258430 [0,0,0,0,0,0|4,0,0]=4 109 B9R1.69 NC1=C(C=C(C=C1)F)O MCULE-4482863367 [0,0,0,0,0,0|3,0,1]=4 110 B9R1.69 NC1=C(C=C(C=C1)I)Br MCULE-3839507989 [0,0,0,0,0,0|4,0,0]=4 111 B9R1.69 NC1=C(C=C(C=C1)I)Cl MCULE-6585968524 [0,0,0,0,0,0|4,0,0]=4 112 B9R1.69 NC1=C(C=C(C=C1)I)F MCULE-9272143812 [0,0,0,0,0,0|4,0,0]=4 113 B9R1.69 NC1=C(C=C(C=C1)I)I MCULE-6343241530 [0,0,0,0,0,0|4,0,0]=4 114 B9R1.69 NC1=C(C=C(C=C1)I)O MCULE-2174060119 [0,0,0,0,0,0|3,0,1]=4 115 B9R1.69 NC1=C(C=C(C=C1)O)Br MCULE-2038792853 [0,0,0,0,0,0|3,0,1]=4 116 B9R1.69 NC1=C(C=C(C=C1)O)F MCULE-2908126633 [0,0,0,0,0,0|3,0,1]=4 117 B9R1.69 NC1=C(C=C(C=C1)O)F MCULE-4251404012 [0,0,0,0,0,0|3,0,1]=4 118 B9R1.69 NC1=C(C=C(C=C1)O)I MCULE-6642809094 [0,0,0,0,0,0|3,0,1]=4 119 B9R1.69 NC1=C(C=C(C=C1)O)I MCULE-7271217718 [0,0,0,0,0,0|3,0,1]=4 120 B9R1.69 NC1=C(C=C(C=C1)O)N MCULE-3982316164 [0,0,0,0,0,0|3,0,1]=4 121 B9R1.69 NC1=C(C=C(C=C1)O)N MCULE-4587255404 [0,0,0,0,0,0|3,0,1]=4 122 B9R1.69 NC1=C(C=C(C=C1)O)O MCULE-5551823921 [0,0,0,0,0,0|2,0,2]=4 123 B9R1.69 NC1=C(C=C(C=C1)O)O MCULE-6173842597 [0,0,0,0,0,0|2,0,2]=4 124 B9R1.69 NC1=C(C=C(C=C1)S)F MCULE-2901462702 [0,0,0,0,0,0|3,1,0]=4 125 B9R1.69 NC1=C(C=C(N=C1)Br)Br MCULE-9127611690 [0,0,0,0,0,0|3,0,1]=4 126 B9R1.69 NC1=C(C=C(N=C1)Br)N MCULE-8861873014 [0,0,0,0,0,0|3,0,1]=4 127 B9R1.69 NC1=C(C=C(N=C1)Cl)Br MCULE-8075892753 [0,0,0,0,0,0|3,0,1]=4 128 B9R1.69 NC1=C(C=C(N=C1)Cl)Cl MCULE-1860477228 [0,0,0,0,0,0|3,0,1]=4 129 B9R1.69 NC1=C(C=C(N=C1)Cl)Cl MCULE-7148929206 [0,0,0,0,0,0|3,0,1]=4 130 B9R1.69 NC1=C(C=C(N=C1)Cl)I MCULE-4336980469 [0,0,0,0,0,0|3,0,1]=4 131 B9R1.69 NC1=C(C=C(N=C1)Cl)N MCULE-2411356312 [0,0,0,0,0,0|3,0,1]=4 132 B9R1.69 NC1=C(C=C(N=C1)Cl)N MCULE-4731506179 [0,0,0,0,0,0|3,0,1]=4 133 B9R1.69 NC1=C(C=C(N=C1)Cl)N MCULE-8842827965 [0,0,0,0,0,0|3,0,1]=4 134 B9R1.69 NC1=C(C=C(N=C1)F)F MCULE-8800090716 [0,0,0,0,0,0|3,0,1]=4 135 B9R1.69 NC1=C(C=C(N=C1)F)I MCULE-2653581297 [0,0,0,0,0,0|3,0,1]=4 136 B9R1.69 NC1=C(C=C(N=C1)F)I MCULE-5012884191 [0,0,0,0,0,0|3,0,1]=4 137 B9R1.69 NC1=C(C=C(N=C1)F)N MCULE-5443460982 [0,0,0,0,0,0|3,0,1]=4 138 B9R1.69 NC1=C(N=C(C=C1)Br)N MCULE-5911040878 [0,0,0,0,0,0|3,0,1]=4 139 B9R1.69 NC1=C(N=C(C=C1)Cl)Cl MCULE-5361764426 [0,0,0,0,0,0|3,0,1]=4 140 B9R1.69 NC1=C(N=C(C=C1)Cl)I MCULE-4545689583 [0,0,0,0,0,0|3,0,1]=4 141 B9R1.69 NC1=C(N=C(C=C1)Cl)N MCULE-9987302372 [0,0,0,0,0,0|3,0,1]=4 142 B9R1.69 NC1=C(N=C(C=C1)I)I MCULE-1042341768 [0,0,0,0,0,0|3,0,1]=4 143 B9R1.69 NC1=C(N=C(N=C1)Cl)Cl MCULE-3840778285 [0,0,0,0,0,0|2,0,2]=4 144 B9R1.69 NC1=C(N=C(N=C1)O)N MCULE-8249413851 [0,0,0,0,0,0|1,0,3]=4 145 B9R1.69 NC1=C(NC(=O)C=C1)N MCULE-9610602391 [0,0,0,0,0,0|2,0,0]=2 146 B9R1.69 NC1=CC(=C(C=C1)N)Cl MCULE-4390202183 [0,0,0,0,0,0|4,0,0]=4 147 B9R1.69 NC1=CC(=C(C=C1)N)Cl MCULE-6980737454 [0,0,0,0,0,0|4,0,0]=4 148 B9R1.69 NC1=CC(=C(C=C1)N)F MCULE-3229031788 [0,0,0,0,0,0|4,0,0]=4 149 B9R1.69 NC1=CC(=C(C=C1)N)N MCULE-8710153364 [0,0,0,0,0,0|4,0,0]=4 150 B9R1.69 NC1=CC(=O)C(=CN1)Cl MCULE-5330162128 [0,0,0,0,0,0|3,0,0]=3 151 B9R1.69 NC1=CC(=O)NN=C1Cl MCULE-4750782331 [0,0,0,0,0,0|4,0,0]=4 152 B9R1.69 NC1=CC=C(C(=C1)Br)N MCULE-2539158589 [0,0,0,0,0,0|4,0,0]=4 153 B9R1.69 NC1=CC=C(C(=C1)Cl)N MCULE-3923396757 [0,0,0,0,0,0|4,0,0]=4 154 B9R1.69 NC1=CC=C(C(=C1)F)N MCULE-1141183637 [0,0,0,0,0,0|4,0,0]=4 155 B9R1.69 NC1=CC=C(C(=C1)F)N MCULE-7341725455 [0,0,0,0,0,0|4,0,0]=4 156 B9R1.69 NC1=CC=C(C(=C1)I)N MCULE-6441703502 [0,0,0,0,0,0|4,0,0]=4 157 B9R1.69 NC1=CC=C(C(=C1)N)N MCULE-2405652825 [0,0,0,0,0,0|4,0,0]=4 158 B9R1.69 NC1=CC=C(C(=C1)N)N MCULE-2553171473 [0,0,0,0,0,0|4,0,0]=4 159 B9R1.69 NC1=CC=C(C(=C1)O)N MCULE-4540964858 [0,0,0,0,0,0|3,0,1]=4 160 B9R1.69 NC1=CC=C(C(=C1)O)N MCULE-7795416322 [0,0,0,0,0,0|3,0,1]=4 161 B9R1.69 NC1=CC=C(C(=C1)O)N MCULE-8548868197 [0,0,0,0,0,0|3,0,1]=4 162 B9R1.69 NC1=CC=C(C=C1Br)F MCULE-9488794368 [0,0,0,0,0,0|4,0,0]=4 163 B9R1.69 NC1=CC=C(C=C1Br)O MCULE-6596565908 [0,0,0,0,0,0|3,0,1]=4 164 B9R1.69 NC1=CC=C(C=C1Cl)Cl MCULE-8829275836 [0,0,0,0,0,0|4,0,0]=4 165 B9R1.69 NC1=CC=C(C=C1Cl)F MCULE-2115823042 [0,0,0,0,0,0|4,0,0]=4 166 B9R1.69 NC1=CC=C(C=C1Cl)O MCULE-5501055564 [0,0,0,0,0,0|3,0,1]=4 167 B9R1.69 NC1=CC=C(C=C1Cl)O MCULE-8225784061 [0,0,0,0,0,0|3,0,1]=4 168 B9R1.69 NC1=CC=C(C=C1F)Br MCULE-6156305621 [0,0,0,0,0,0|4,0,0]=4 169 B9R1.69 NC1=CC=C(C=C1F)Br MCULE-8938551254 [0,0,0,0,0,0|4,0,0]=4 170 B9R1.69 NC1=CC=C(C=C1F)Cl MCULE-3585276723 [0,0,0,0,0,0|4,0,0]=4 171 B9R1.69 NC1=CC=C(C=C1F)O MCULE-9843015054 [0,0,0,0,0,0|3,0,1]=4 172 B9R1.69 NC1=CC=C(C=C1I)Br MCULE-1768010039 [0,0,0,0,0,0|4,0,0]=4 173 B9R1.69 NC1=CC=C(C=C1I)Cl MCULE-2154104030 [0,0,0,0,0,0|4,0,0]=4 174 B9R1.69 NC1=CC=C(C=C1N)Br MCULE-9719581655 [0,0,0,0,0,0|4,0,0]=4 175 B9R1.69 NC1=CC=C(C=C1N)Cl MCULE-6641739557 [0,0,0,0,0,0|4,0,0]=4 176 B9R1.69 NC1=CC=C(C=C1N)F MCULE-4415320637 [0,0,0,0,0,0|4,0,0]=4 177 B9R1.69 NC1=CC=C(C=C1N)I MCULE-3693763843 [0,0,0,0,0,0|4,0,0]=4 178 B9R1.69 NC1=CC=C(C=C1O)Br MCULE-2056826574 [0,0,0,0,0,0|3,0,1]=4 179 B9R1.69 NC1=CC=C(C=C1O)Cl MCULE-6239814408 [0,0,0,0,0,0|3,0,1]=4 180 B9R1.69 NC1=CC=C(C=C1S)Br MCULE-5788474305 [0,0,0,0,0,0|3,1,0]=4 181 B9R1.69 NC1=CC=C(C=C1S)Cl MCULE-8957999554 [0,0,0,0,0,0|3,1,0]=4 182 B9R1.69 NC1=CC=C(C=C1S)F MCULE-6635731031 [0,0,0,0,0,0|3,1,0]=4 183 B9R1.69 NC1=CC=C(N=C1Br)Br MCULE-2627894877 [0,0,0,0,0,0|3,0,1]=4 184 B9R1.69 NC1=CC=C(N=C1Br)Cl MCULE-4492169772 [0,0,0,0,0,0|3,0,1]=4 185 B9R1.69 NC1=CC=C(N=C1Br)F MCULE-8991728374 [0,0,0,0,0,0|3,0,1]=4 186 B9R1.69 NC1=CC=C(N=C1Cl)Br MCULE-6916137993 [0,0,0,0,0,0|3,0,1]=4 187 B9R1.69 NC1=CC=C(N=C1Cl)F MCULE-1938713562 [0,0,0,0,0,0|3,0,1]=4 188 B9R1.69 NC1=CC=C(N=C1Cl)I MCULE-6200386985 [0,0,0,0,0,0|3,0,1]=4 189 B9R1.69 NC1=CC=C(N=C1F)Br MCULE-2403789261 [0,0,0,0,0,0|3,0,1]=4 190 B9R1.69 NC1=CC=C(N=C1F)Cl MCULE-1920071324 [0,0,0,0,0,0|3,0,1]=4 191 B9R1.69 NC1=CC=C(N=C1F)F MCULE-7664566902 [0,0,0,0,0,0|3,0,1]=4 192 B9R1.69 NC1=CC=C(N=C1F)I MCULE-8414117013 [0,0,0,0,0,0|3,0,1]=4 193 B9R1.69 NC1=CC=C(N=C1I)Br MCULE-9308068061 [0,0,0,0,0,0|3,0,1]=4 194 B9R1.69 NC1=CC=C(N=C1I)F MCULE-6805636046 [0,0,0,0,0,0|3,0,1]=4 195 B9R1.69 NC1=CC=C(N=C1N)F MCULE-1164698135 [0,0,0,0,0,0|3,0,1]=4 196 B9R1.69 NC1=CC=C(N=C1O)Br MCULE-2609264284 [0,0,0,0,0,0|2,0,2]=4 197 B9R1.69 NC1=CC=C(N=C1O)Br MCULE-4975196013 [0,0,0,0,0,0|2,0,2]=4 198 B9R1.69 NC1=CC=C(N=C1O)Cl MCULE-5569510916 [0,0,0,0,0,0|2,0,2]=4 199 B9R1.69 NC1=CC=C(NC1=S)Cl MCULE-7529114591 [0,0,0,0,0,0|2,1,0]=3 200 B9R1.69 NC1=CN=C(C=C1Br)F MCULE-1241088044 [0,0,0,0,0,0|3,0,1]=4 201 B9R1.69 NC1=CN=C(C=C1Br)F MCULE-2689760654 [0,0,0,0,0,0|3,0,1]=4 202 B9R1.69 NC1=CN=C(C=C1Cl)N MCULE-5063768454 [0,0,0,0,0,0|3,0,1]=4 203 B9R1.69 NC1=CN=C(C=C1F)Cl MCULE-8264096329 [0,0,0,0,0,0|3,0,1]=4 204 B9R1.69 NC1=CN=C(C=C1I)Cl MCULE-9197925593 [0,0,0,0,0,0|3,0,1]=4 205 B9R1.69 NC1=CN=C(C=C1N)N MCULE-7962808558 [0,0,0,0,0,0|3,0,1]=4 206 B9R1.69 NC1=CN=C(C=C1O)Cl MCULE-1019016378 [0,0,0,0,0,0|2,0,2]=4 207 B9R1.69 NC1=CN=C(C=C1O)Cl MCULE-5795645959 [0,0,0,0,0,0|2,0,2]=4 208 B9R1.69 NC1=CN=C(N=C1N)Cl MCULE-8345592573 [0,0,0,0,0,0|2,0,2]=4 209 B9R1.69 NC1=CN=C(N=C1N)N MCULE-9756079037 [0,0,0,0,0,0|2,0,2]=4 210 B9R1.69 NC1=CN=C(NC1=O)N MCULE-2464173889 [0,0,0,0,0,0|1,0,1]=2 211 B9R1.69 NC1=CNC(=O)NC1=O MCULE-8766220931 [0,0,0,0,0,0|0,0,0]=0 212 B9R1.69 NC1=NC(=C(C=C1)N)Br MCULE-7053169423 [0,0,0,0,0,0|3,0,1]=4 213 B9R1.69 NC1=NC(=C(C=C1)N)N MCULE-2957286849 [0,0,0,0,0,0|3,0,1]=4 214 B9R1.69 NC1=NC(=C(C=C1)N)N MCULE-7575706301 [0,0,0,0,0,0|3,0,1]=4 215 B9R1.69 NC1=NC(=O)C(=CN1)Cl MCULE-7454708722 [0,0,0,0,0,0|2,0,1]=3 216 B9R1.69 NC1=NC(=O)C(=CN1)F MCULE-9299173255 [0,0,0,0,0,0|2,0,1]=3 217 B9R1.69 NC1=NC(=O)C(=CN1)I MCULE-4150780086 [0,0,0,0,0,0|2,0,1]=3 218 B9R1.69 NC1=NC(=O)NC=C1Br MCULE-9918095021 [0,0,0,0,0,0|2,0,1]=3 219 B9R1.69 NC1=NC(=O)NC=C1Cl MCULE-2268188970 [0,0,0,0,0,0|2,0,1]=3 220 B9R1.69 NC1=NC(=O)NC=C1F MCULE-7094058995 [0,0,0,0,0,0|2,0,1]=3 221 B9R1.69 NC1=NC(=O)NC=C1I MCULE-7464214392 [0,0,0,0,0,0|2,0,1]=3 222 B9R1.69 NC1=NC(=O)NCC1=O MCULE-2660856699 [0,0,0,0,0,0|2,0,2]=4 223 B9R1.69 NC1=NC=C(NC1=O)Br MCULE-9847766852 [0,0,0,0,0,0|3,0,0]=3 224 B9R1.69 NC1=NNC(=O)NC1=O MCULE-3067333649 [0,0,0,0,0,0|1,0,0]=1 225 B9R1.69 NC1C=NC(=O)NC1=O MCULE-1490641488 [0,0,0,0,0,0|0,0,2]=2 226 B9R1.69 NC1CCC(=O)NC1=O MCULE-4373046338 [0,0,0,0,0,0|1,0,2]=3 227 B9R1.69 NC1CCC(=O)NC1=O MCULE-5761090335 [0,0,0,0,0,0|1,0,2]=3 228 B9R1.69 NC1CCC(=O)NC1=O MCULE-6512527532 [0,0,0,0,0,0|1,0,2]=3 229 B9R1.69 NC1NC(=O)NC=C1F MCULE-6799586428 [0,0,0,0,0,0|2,0,1]=3 230 B9R1.69 NN1C=CC(=O)NC1=O MCULE-6452806318 [0,0,0,0,0,0|2,0,0]=2 231 B9R1.69 N[C@@H]1CCC(=O)NC1=O MCULE-2259559652 [0,0,0,0,0,0|1,0,2]=3 232 B9R1.69 N[C@@H]1CCC(=O)NC1=O MCULE-5099911990 [0,0,0,0,0,0|1,0,2]=3 233 B9R1.69 N[C@@H]1CCC(=O)NC1=O MCULE-5834100164 [0,0,0,0,0,0|1,0,2]=3 234 B9R1.69 N[C@@H]1CCC(=O)NC1=O MCULE-9198243816 [0,0,0,0,0,0|1,0,2]=3 235 B9R1.69 N[C@H]1CCC(=O)NC1=O MCULE-2839925566 [0,0,0,0,0,0|1,0,2]=3 236 B9R1.69 N[C@H]1CCC(=O)NC1=O MCULE-4993857257 [0,0,0,0,0,0|1,0,2]=3 237 B9R1.69 N[C@H]1CCC(=O)NC1=O MCULE-5773933419 [0,0,0,0,0,0|1,0,2]=3 238 B9R1.69 N[C@H]1CCC(=O)NC1=O MCULE-7730306323 [0,0,0,0,0,0|1,0,2]=3 239 B9R1.69 O=C1C=C(C(=CN1)Br)Br MCULE-7608477571 [0,0,0,0,0,0|3,0,0]=3 240 B9R1.69 O=C1C=C(C(=CN1)Br)Cl MCULE-9807316455 [0,0,0,0,0,0|3,0,0]=3 241 B9R1.69 O=C1C=C(C(=CN1)Br)F MCULE-7030715609 [0,0,0,0,0,0|3,0,0]=3 242 B9R1.69 O=C1C=C(C(=CN1)Cl)Br MCULE-2131702864 [0,0,0,0,0,0|3,0,0]=3 243 B9R1.69 O=C1C=C(C(=CN1)Cl)Cl MCULE-6667509474 [0,0,0,0,0,0|3,0,0]=3 244 B9R1.69 O=C1C=C(C(=CN1)Cl)I MCULE-6044450800 [0,0,0,0,0,0|3,0,0]=3 245 B9R1.69 O=C1C=C(C(=CN1)Cl)O MCULE-3767139404 [0,0,0,0,0,0|2,0,1]=3 246 B9R1.69 O=C1C=C(C(=CN1)F)O MCULE-2590440873 [0,0,0,0,0,0|2,0,1]=3 247 B9R1.69 O=C1C=C(C(=CN1)I)Cl MCULE-2838518918 [0,0,0,0,0,0|3,0,0]=3 248 B9R1.69 O=C1C=C(C(=NN1)Cl)Cl MCULE-1037002675 [0,0,0,0,0,0|4,0,0]=4 249 B9R1.69 O=C1C=C(NC=C1Br)Cl MCULE-5060506861 [0,0,0,0,0,0|3,0,0]=3 250 B9R1.69 O=C1C=CC(=C(N1)Br)Cl MCULE-2299972105 [0,0,0,0,0,0|3,0,0]=3 251 B9R1.69 O=C1C=CC(=C(N1)Br)F MCULE-7102970752 [0,0,0,0,0,0|3,0,0]=3 252 B9R1.69 O=C1C=CC(=C(N1)Cl)Cl MCULE-1681345436 [0,0,0,0,0,0|3,0,0]=3 253 B9R1.69 O=C1C=CC(=C(N1)I)Br MCULE-3011078994 [0,0,0,0,0,0|3,0,0]=3 254 B9R1.69 O=C1C=CC(=O)C(=C1)Br MCULE-5586115628 [0,0,0,0,0,0|4,0,0]=4 255 B9R1.69 O=C1C=CC(=O)C(=C1)Cl MCULE-1579895781 [0,0,0,0,0,0|4,0,0]=4 256 B9R1.69 O=C1C=CC(=O)C(=C1)I MCULE-1220508693 [0,0,0,0,0,0|4,0,0]=4 257 B9R1.69 O=C1CCC(C(=O)N1)Br MCULE-2957692520 [0,0,0,0,0,0|2,0,2]=4 258 B9R1.69 O=C1N=C(C(=CN1)Br)Br MCULE-2653404573 [0,0,0,0,0,0|2,0,1]=3 259 B9R1.69 O=C1NC(=CC=C1Cl)Br MCULE-7002386572 [0,0,0,0,0,0|3,0,0]=3 260 B9R1.69 O=C1NC(=CC=C1Cl)Cl MCULE-9076841848 [0,0,0,0,0,0|3,0,0]=3 261 B9R1.69 O=C1NC(=CC=C1I)Cl MCULE-6248898641 [0,0,0,0,0,0|3,0,0]=3 262 B9R1.69 O=C1NC(=CC=C1O)Cl MCULE-7098135447 [0,0,0,0,0,0|3,0,0]=3 263 B9R1.69 O=C1NC(=CN=C1Cl)Br MCULE-5709550762 [0,0,0,0,0,0|4,0,0]=4 264 B9R1.69 O=C1NC(=NC=C1Cl)Cl MCULE-6600443230 [0,0,0,0,0,0|2,0,1]=3 265 B9R1.69 O=C1NC(=NC=C1F)Cl MCULE-8340050328 [0,0,0,0,0,0|2,0,1]=3 266 B9R1.69 O=C1NC(=NC=C1I)Cl MCULE-3863853934 [0,0,0,0,0,0|2,0,1]=3 267 B9R1.69 O=C1NC(=S)N=CC1F MCULE-3256673014 [0,0,0,0,0,0|1,1,2]=4 268 B9R1.69 O=C1NC(=S)NC=C1F MCULE-1640996146 [0,0,0,0,0,0|1,1,0]=2 269 B9R1.69 O=C1NC(=S)NC=C1I MCULE-9040932930 [0,0,0,0,0,0|1,1,0]=2 270 B9R1.69 O=C1NC=C(C(=O)N1)Br MCULE-6639028202 [0,0,0,0,0,0|1,0,0]=1 271 B9R1.69 O=C1NC=C(C(=O)N1)Cl MCULE-3005578323 [0,0,0,0,0,0|1,0,0]=1 272 B9R1.69 O=C1NC=C(C(=O)N1)F MCULE-6338086431 [0,0,0,0,0,0|1,0,0]=1 273 B9R1.69 O=C1NC=C(C(=O)N1)I MCULE-9099154084 [0,0,0,0,0,0|1,0,0]=1 274 B9R1.69 O=C1NC=C(C(=S)N1)F MCULE-5051283182 [0,0,0,0,0,0|1,1,0]=2 275 B9R1.69 O=C1NCC(=O)C(=O)N1 MCULE-3608761998 [0,0,0,0,0,0|1,0,1]=2 276 B9R1.69 O=C1NCC(C(=O)N1)Br MCULE-1399084699 [0,0,0,0,0,0|1,0,2]=3 277 B9R1.69 O=C1NCC(C(=O)N1)Cl MCULE-3522626760 [0,0,0,0,0,0|1,0,2]=3 278 B9R1.69 O=C1NCC(C(=O)N1)F MCULE-3119054190 [0,0,0,0,0,0|1,0,2]=3 279 B9R1.69 O=C1NN=C(C(=O)N1)Br MCULE-9793204387 [0,0,0,0,0,0|2,0,0]=2 280 B9R1.69 O=C1NN=C(C(=O)N1)F MCULE-5496474813 [0,0,0,0,0,0|2,0,0]=2 281 B9R1.69 O=C1NN=C(C(=S)N1)Br MCULE-1298950946 [0,0,0,0,0,0|2,1,0]=3 282 B9R1.69 [NH3+]C1CCC(=O)NC1=O MCULE-8832573768 [0,0,0,0,0,0|1,0,3]=4 283 B8R1.3 CC1=CC=C(C=C1)N MCULE-1635792225 [1,0,0,0,0,0|3,0,0]=4 284 B8R1.3 CC1=CC=C(C=C1)N MCULE-7953571381 [1,0,0,0,0,0|3,0,0]=4 285 B8R1.3 CC1=CNC(=O)C=N1 MCULE-2679502239 [1,0,0,0,0,0|3,0,0]=4 286 B8R1.3 CC1=NC=C(C=C1)N MCULE-8033835830 [1,0,0,0,0,0|2,0,1]=4 287 B8R1.3 CC1=NC=C(C=N1)N MCULE-7662215681 [1,0,0,0,0,0|1,0,2]=4 288 B8R1.3 CC1=NNC(=O)C=C1 MCULE-2635221520 [1,0,0,0,0,0|3,0,0]=4 289 B8R1.3 NC1=CC=C(C=C1)Br MCULE-4303567759 [1,0,0,0,0,0|3,0,0]=4 290 B8R1.3 NC1=CC=C(C=C1)Br MCULE-8369424694 [1,0,0,0,0,0|3,0,0]=4 291 B8R1.3 NC1=CC=C(C=C1)Cl MCULE-6515849225 [1,0,0,0,0,0|3,0,0]=4 292 B8R1.3 NC1=CC=C(C=C1)F MCULE-2548375851 [1,0,0,0,0,0|3,0,0]=4 293 B8R1.3 NC1=CC=C(C=C1)F MCULE-2904031230 [1,0,0,0,0,0|3,0,0]=4 294 B8R1.3 NC1=CC=C(C=C1)F MCULE-9202328442 [1,0,0,0,0,0|3,0,0]=4 295 B8R1.3 NC1=CC=C(C=C1)I MCULE-2783584230 [1,0,0,0,0,0|3,0,0]=4 296 B8R1.3 NC1=CC=C(C=C1)N MCULE-5925371565 [1,0,0,0,0,0|3,0,0]=4 297 B8R1.3 NC1=CC=C(C=C1)N MCULE-6955618114 [1,0,0,0,0,0|3,0,0]=4 298 B8R1.3 NC1=CC=C(C=C1)N MCULE-7229660848 [1,0,0,0,0,0|3,0,0]=4 299 B8R1.3 NC1=CC=C(C=C1)N MCULE-7306560059 [1,0,0,0,0,0|3,0,0]=4 300 B8R1.3 NC1=CC=C(C=C1)N MCULE-9588027148 [1,0,0,0,0,0|3,0,0]=4 301 B8R1.3 NC1=CC=C(C=C1)N MCULE-9647640167 [1,0,0,0,0,0|3,0,0]=4 302 B8R1.3 NC1=CC=C(C=C1)O MCULE-3319647085 [1,0,0,0,0,0|2,0,1]=4 303 B8R1.3 NC1=CC=C(C=C1)O MCULE-5783123558 [1,0,0,0,0,0|2,0,1]=4 304 B8R1.3 NC1=CC=C(C=C1)O MCULE-6245482865 [1,0,0,0,0,0|2,0,1]=4 305 B8R1.3 NC1=CC=C(C=C1)O MCULE-8722796613 [1,0,0,0,0,0|2,0,1]=4 306 B8R1.3 NC1=CC=C(C=C1)S MCULE-8879212078 [1,0,0,0,0,0|2,1,0]=4 307 B8R1.3 NC1=CC=C(N=C1)O MCULE-6943198399 [1,0,0,0,0,0|1,0,2]=4 308 B8R1.3 NC1=CN=C(C=C1)Br MCULE-9618206208 [1,0,0,0,0,0|2,0,1]=4 309 B8R1.3 NC1=CN=C(C=C1)Cl MCULE-9088248508 [1,0,0,0,0,0|2,0,1]=4 310 B8R1.3 NC1=CN=C(C=C1)F MCULE-6916745506 [1,0,0,0,0,0|2,0,1]=4 311 B8R1.3 NC1=CN=C(C=C1)I MCULE-5109756430 [1,0,0,0,0,0|2,0,1]=4 312 B8R1.3 NC1=CN=C(C=C1)N MCULE-3273828235 [1,0,0,0,0,0|2,0,1]=4 313 B8R1.3 NC1=CN=C(C=C1)N MCULE-6220487800 [1,0,0,0,0,0|2,0,1]=4 314 B8R1.3 NC1=CN=C(C=C1)O MCULE-6988862087 [1,0,0,0,0,0|1,0,2]=4 315 B8R1.3 NC1=CN=C(C=C1)S MCULE-3384999029 [1,0,0,0,0,0|1,1,1]=4 316 B8R1.3 NC1=CN=C(N=C1)Br MCULE-6276957808 [1,0,0,0,0,0|1,0,2]=4 317 B8R1.3 NC1=CN=C(N=C1)Cl MCULE-7733084258 [1,0,0,0,0,0|1,0,2]=4 318 B8R1.3 NC1=CN=C(N=C1)I MCULE-8594819905 [1,0,0,0,0,0|1,0,2]=4 319 B8R1.3 NC1=CN=C(N=C1)N MCULE-1490601172 [1,0,0,0,0,0|1,0,2]=4 320 B8R1.3 NC1=CNC(=O)N=C1 MCULE-2442673142 [1,0,0,0,0,0|0,0,1]=2 321 B8R1.3 O=C1C=CC(=CN1)Br MCULE-5174732595 [1,0,0,0,0,0|2,0,0]=3 322 B8R1.3 O=C1C=CC(=CO1)Br MCULE-6339514817 [1,0,0,0,0,0|3,0,0]=4 323 B8R1.3 O=C1C=CC(=NN1)Cl MCULE-9091661850 [1,0,0,0,0,0|3,0,0]=4 324 B8R1.3 O=C1C=CC(=NN1)F MCULE-8050086590 [1,0,0,0,0,0|3,0,0]=4 325 B8R1.3 O=C1C=CC(=O)C=C1 MCULE-2576853438 [1,0,0,0,0,0|3,0,0]=4 326 B8R1.3 O=C1C=CC(=O)NN1 MCULE-5100178532 [1,0,0,0,0,0|3,0,0]=4 327 B8R1.3 O=C1C=NC(=CN1)F MCULE-6846208345 [1,0,0,0,0,0|3,0,0]=4 328 B8R1.3 O=C1C=NC(=CN1)I MCULE-6198334100 [1,0,0,0,0,0|3,0,0]=4 329 B8R1.3 O=C1CC=C(C=N1)Br MCULE-7996644847 [1,0,0,0,0,0|2,0,1]=4 330 B8R1.3 O=C1N=CC(=CN1)Br MCULE-9370622613 [1,0,0,0,0,0|1,0,1]=3 331 B8R1.3 O=C1N=CC(=CN1)F MCULE-6016921664 [1,0,0,0,0,0|1,0,1]=3 332 B8R1.3 O=C1N=CC(=CN1)O MCULE-9708220927 [1,0,0,0,0,0|1,0,1]=3 333 B8R1.3 S=C1N=CC(=CN1)Br MCULE-8961368283 [1,0,0,0,0,0|1,1,1]=4 334 B8R1.4 CC1=CC(=O)C=CO1 MCULE-4709385267 [1,0,0,0,0,0|3,0,0]=4 335 B8R1.4 CC1=CC(=O)NC=N1 MCULE-4546584000 [1,0,0,0,0,0|3,0,0]=4 336 B8R1.4 CC1=CC(=O)NN=C1 MCULE-4739919200 [1,0,0,0,0,0|3,0,0]=4 337 B8R1.4 CC1=CC=CC(=O)N1 MCULE-2763977381 [1,0,0,0,0,0|2,0,0]=3 338 B8R1.4 CC1=CC=CC(=S)N1 MCULE-5057123376 [1,0,0,0,0,0|2,1,0]=4 339 B8R1.4 CC1=CC=NC(=O)C1 MCULE-4882777367 [1,0,0,0,0,0|2,0,1]=4 340 B8R1.4 CC1=CC=NC(=O)N1 MCULE-6541642341 [1,0,0,0,0,0|1,0,1]=3 341 B8R1.4 CC1=NC(=N)C=CN1 MCULE-6773374255 [1,0,0,0,0,0|2,0,1]=4 342 B8R1.4 CC1=NC(=N)C=CN1 MCULE-6777516279 [1,0,0,0,0,0|2,0,1]=4 343 B8R1.4 CC1=NC(=O)C=CN1 MCULE-5044952802 [1,0,0,0,0,0|1,0,1]=3 344 B8R1.4 CC1=NC(=O)NC=C1 MCULE-2973571138 [1,0,0,0,0,0|1,0,1]=3 345 B8R1.4 NC1=CC(=O)NN=C1 MCULE-1959597477 [1,0,0,0,0,0|3,0,0]=4 346 B8R1.4 NC1=CN=CC(=O)N1 MCULE-3785264411 [1,0,0,0,0,0|3,0,0]=4 347 B8R1.4 NC1=NC(=O)NC=C1 MCULE-4426252594 [1,0,0,0,0,0|1,0,1]=3 348 B8R1.4 NC1=NC(=O)NC=C1 MCULE-5444602171 [1,0,0,0,0,0|1,0,1]=3 349 B8R1.4 NC1=NC(=O)NN=C1 MCULE-5047415100 [1,0,0,0,0,0|2,0,1]=4 350 B8R1.4 NC1=NC=CC(=O)N1 MCULE-7474139826 [1,0,0,0,0,0|1,0,1]=3 351 B8R1.4 NC1=NC=NC(=O)N1 MCULE-2741288744 [1,0,0,0,0,0|2,0,1]=4 352 B8R1.4 O=C1C=C(C=CN1)F MCULE-3668200526 [1,0,0,0,0,0|2,0,0]=3 353 B8R1.4 O=C1C=C(C=CN1)I MCULE-3087331274 [1,0,0,0,0,0|2,0,0]=3 354 B8R1.4 O=C1C=C(C=CO1)Br MCULE-4630205017 [1,0,0,0,0,0|3,0,0]=4 355 B8R1.4 O=C1C=C(C=CO1)Cl MCULE-6319657516 [1,0,0,0,0,0|3,0,0]=4 356 B8R1.4 O=C1C=C(C=NN1)Cl MCULE-3362096457 [1,0,0,0,0,0|3,0,0]=4 357 B8R1.4 O=C1C=C(C=NN1)I MCULE-4212498492 [1,0,0,0,0,0|3,0,0]=4 358 B8R1.4 O=C1C=C(NC=N1)Br MCULE-2673426547 [1,0,0,0,0,0|3,0,0]=4 359 B8R1.4 O=C1C=CC=C(N1)Cl MCULE-5990074384 [1,0,0,0,0,0|2,0,0]=3 360 B8R1.4 O=C1C=CC=C(N1)I MCULE-7962501587 [1,0,0,0,0,0|2,0,0]=3 361 B8R1.4 O=C1C=CNC(=O)C1 MCULE-7422070219 [1,0,0,0,0,0|1,0,0]=2 362 B8R1.4 O=C1C=CNC(=O)O1 MCULE-3791093466 [1,0,0,0,0,0|1,0,0]=2 363 B8R1.4 O=C1C=CNC(=[Se])N1 MCULE-7954757005 [1,0,0,0,0,0|0,1,0]=2 364 B8R1.4 O=C1C=COC(=O)C1 MCULE-9289887221 [1,0,0,0,0,0|2,0,0]=3 365 B8R1.4 O=C1CC(=O)NC=N1 MCULE-1818472509 [1,0,0,0,0,0|2,0,0]=3 366 B8R1.4 O=C1CCCC(=O)N1 MCULE-7505150579 [1,0,0,0,0,0|1,0,2]=4 367 B8R1.4 O=C1CCNC(=O)C1 MCULE-7662080105 [1,0,0,0,0,0|1,0,2]=4 368 B8R1.4 O=C1CCNC(=O)N1 MCULE-8986910982 [1,0,0,0,0,0|0,0,2]=3 369 B8R1.4 O=C1CCNC(=O)O1 MCULE-8298722634 [1,0,0,0,0,0|1,0,2]=4 370 B8R1.4 O=C1CNCC(=O)N1 MCULE-2684405909 [1,0,0,0,0,0|2,0,1]=4 371 B8R1.4 O=C1CNCC(=O)N1 MCULE-8918860650 [1,0,0,0,0,0|2,0,1]=4 372 B8R1.4 O=C1COCC(=O)N1 MCULE-2640203723 [1,0,0,0,0,0|2,0,1]=4 373 B8R1.4 O=C1CSCC(=O)N1 MCULE-5124635458 [1,0,0,0,0,0|2,0,1]=4 374 B8R1.4 O=C1N=C(C=CN1)Cl MCULE-6239849546 [1,0,0,0,0,0|1,0,1]=3 375 B8R1.4 O=C1N=CCC(=S)N1 MCULE-8510009070 [1,0,0,0,0,0|0,1,2]=4 376 B8R1.4 O=C1N=CNC(=O)N1 MCULE-2256730820 [1,0,0,0,0,0|1,0,0]=2 377 B8R1.4 O=C1NCNC(=O)N1 MCULE-7478557250 [1,0,0,0,0,0|1,0,1]=3 378 B8R1.4 O=C1NN=CC(=S)N1 MCULE-8520073366 [1,0,0,0,0,0|1,1,0]=3 379 B8R1.4 S=C1C=NNC(=S)N1 MCULE-7897746903 [1,0,0,0,0,0|1,2,0]=4 380 B8R1.4 S=C1N=CC=C(N1)Cl MCULE-1741017791 [1,0,0,0,0,0|1,1,1]=4 381 B8R1.5 CC1=C(C=CC=C1)N MCULE-1459156774 [1,0,0,0,0,0|3,0,0]=4 382 B8R1.5 CC1=C(C=CC=C1)N MCULE-2695214373 [1,0,0,0,0,0|3,0,0]=4 383 B8R1.5 CC1=C(C=CC=N1)N MCULE-9641202098 [1,0,0,0,0,0|2,0,1]=4 384 B8R1.5 CC1=C(C=NC=C1)N MCULE-3638373448 [1,0,0,0,0,0|2,0,1]=4 385 B8R1.5 CC1=CC=CC=C1N MCULE-4254037883 [1,0,0,0,0,0|3,0,0]=4 386 B8R1.5 CC1=CC=CNC1=O MCULE-8735614074 [1,0,0,0,0,0|2,0,0]=3 387 B8R1.5 CC1=CC=NNC1=O MCULE-4615705346 [1,0,0,0,0,0|3,0,0]=4 388 B8R1.5 CC1=NC=CNC1=O MCULE-8764563866 [1,0,0,0,0,0|3,0,0]=4 389 B8R1.5 CC1=NC=NC=C1N MCULE-6959130870 [1,0,0,0,0,0|1,0,2]=4 390 B8R1.5 FC1=CC=CNC1=S MCULE-9261750723 [1,0,0,0,0,0|2,1,0]=4 391 B8R1.5 NC1=C(C=CC=C1)Br MCULE-9530225916 [1,0,0,0,0,0|3,0,0]=4 392 B8R1.5 NC1=C(C=CC=C1)Cl MCULE-8604040668 [1,0,0,0,0,0|3,0,0]=4 393 B8R1.5 NC1=C(C=CC=C1)F MCULE-5808373062 [1,0,0,0,0,0|3,0,0]=4 394 B8R1.5 NC1=C(C=CC=C1)F MCULE-8877890819 [1,0,0,0,0,0|3,0,0]=4 395 B8R1.5 NC1=C(C=CC=C1)I MCULE-4959218514 [1,0,0,0,0,0|3,0,0]=4 396 B8R1.5 NC1=C(C=CC=C1)N MCULE-9134155552 [1,0,0,0,0,0|3,0,0]=4 397 B8R1.5 NC1=C(C=CC=C1)O MCULE-7578442073 [1,0,0,0,0,0|2,0,1]=4 398 B8R1.5 NC1=C(C=CN=C1)Br MCULE-3941119322 [1,0,0,0,0,0|2,0,1]=4 399 B8R1.5 NC1=C(C=CN=C1)Br MCULE-5208433236 [1,0,0,0,0,0|2,0,1]=4 400 B8R1.5 NC1=C(C=CN=C1)Br MCULE-9232234367 [1,0,0,0,0,0|2,0,1]=4 401 B8R1.5 NC1=C(C=CN=C1)Cl MCULE-8431327601 [1,0,0,0,0,0|2,0,1]=4 402 B8R1.5 NC1=C(C=CN=C1)F MCULE-1778644427 [1,0,0,0,0,0|2,0,1]=4 403 B8R1.5 NC1=C(C=CN=C1)F MCULE-8985576738 [1,0,0,0,0,0|2,0,1]=4 404 B8R1.5 NC1=C(C=CN=C1)I MCULE-9236063924 [1,0,0,0,0,0|2,0,1]=4 405 B8R1.5 NC1=C(C=CN=C1)O MCULE-3367403230 [1,0,0,0,0,0|1,0,2]=4 406 B8R1.5 NC1=C(C=CN=C1)O MCULE-5872900819 [1,0,0,0,0,0|1,0,2]=4 407 B8R1.5 NC1=C(C=CN=C1)O MCULE-5936368124 [1,0,0,0,0,0|1,0,2]=4 408 B8R1.5 NC1=C(C=CN=C1)S MCULE-5680246912 [1,0,0,0,0,0|1,1,1]=4 409 B8R1.5 NC1=C(C=NC=C1)N MCULE-5478459845 [1,0,0,0,0,0|2,0,1]=4 410 B8R1.5 NC1=C(N=CC=C1)Br MCULE-9291274381 [1,0,0,0,0,0|2,0,1]=4 411 B8R1.5 NC1=C(N=CC=C1)Cl MCULE-1004542926 [1,0,0,0,0,0|2,0,1]=4 412 B8R1.5 NC1=C(N=CC=C1)O MCULE-2897961658 [1,0,0,0,0,0|1,0,2]=4 413 B8R1.5 NC1=C(N=CC=C1)S MCULE-3829311798 [1,0,0,0,0,0|1,1,1]=4 414 B8R1.5 NC1=C(N=CN=C1)N MCULE-4783422414 [1,0,0,0,0,0|1,0,2]=4 415 B8R1.5 NC1=C(N=CN=C1)N MCULE-9035668313 [1,0,0,0,0,0|1,0,2]=4 416 B8R1.5 NC1=CC=CC=C1Br MCULE-5923300871 [1,0,0,0,0,0|3,0,0]=4 417 B8R1.5 NC1=CC=CC=C1N MCULE-4525715302 [1,0,0,0,0,0|3,0,0]=4 418 B8R1.5 NC1=CC=CC=C1N MCULE-6086072969 [1,0,0,0,0,0|3,0,0]=4 419 B8R1.5 NC1=CC=CC=C1O MCULE-3989828500 [1,0,0,0,0,0|2,0,1]=4 420 B8R1.5 NC1=CC=CC=C1O MCULE-5560819074 [1,0,0,0,0,0|2,0,1]=4 421 B8R1.5 NC1=CC=CC=C1S MCULE-1791245387 [1,0,0,0,0,0|2,1,0]=4 422 B8R1.5 NC1=CC=CN=C1Br MCULE-1650738830 [1,0,0,0,0,0|2,0,1]=4 423 B8R1.5 NC1=CC=CN=C1Cl MCULE-6388890753 [1,0,0,0,0,0|2,0,1]=4 424 B8R1.5 NC1=CC=CN=C1F MCULE-2825542164 [1,0,0,0,0,0|2,0,1]=4 425 B8R1.5 NC1=CC=CN=C1F MCULE-5425505322 [1,0,0,0,0,0|2,0,1]=4 426 B8R1.5 NC1=CC=CN=C1I MCULE-5736041280 [1,0,0,0,0,0|2,0,1]=4 427 B8R1.5 NC1=CC=CN=C1N MCULE-3047996423 [1,0,0,0,0,0|2,0,1]=4 428 B8R1.5 NC1=CC=CN=C1S MCULE-1510831151 [1,0,0,0,0,0|1,1,1]=4 429 B8R1.5 NC1=CC=CNC1=O MCULE-2705834056 [1,0,0,0,0,0|1,0,0]=2 430 B8R1.5 NC1=CC=NC=C1N MCULE-4487058988 [1,0,0,0,0,0|2,0,1]=4 431 B8R1.5 NC1=CC=NNC1=O MCULE-8399809124 [1,0,0,0,0,0|2,0,0]=3 432 B8R1.5 NC1=CC=NNC1=S MCULE-7594544373 [1,0,0,0,0,0|2,1,0]=4 433 B8R1.5 NC1=CN=CC=C1F MCULE-1177050686 [1,0,0,0,0,0|2,0,1]=4 434 B8R1.5 NC1=CN=CN=C1Br MCULE-6463207422 [1,0,0,0,0,0|1,0,2]=4 435 B8R1.5 NC1=CN=CN=C1Cl MCULE-4182318866 [1,0,0,0,0,0|1,0,2]=4 436 B8R1.5 NC1=CN=CN=C1I MCULE-3138108801 [1,0,0,0,0,0|1,0,2]=4 437 B8R1.5 NC1=CN=CNC1=O MCULE-3512580009 [1,0,0,0,0,0|0,0,1]=2 438 B8R1.5 NC1=CN=CNC1=S MCULE-8218091036 [1,0,0,0,0,0|0,1,1]=3 439 B8R1.5 NC1=CNC=NC1=O MCULE-8037468633 [1,0,0,0,0,0|0,0,1]=2 440 B8R1.5 NC1=NC=CNC1=O MCULE-6254794637 [1,0,0,0,0,0|2,0,0]=3 441 B8R1.5 NC1C=NC=NC1=O MCULE-2219620744 [1,0,0,0,0,0|0,0,3]=4 442 B8R1.5 NN1C=CC=CC1=O MCULE-6844638196 [1,0,0,0,0,0|3,0,0]=4 443 B8R1.5 O=C1C=COC=C1O MCULE-7801160559 [1,0,0,0,0,0|3,0,0]=4 444 B8R1.5 O=C1N=CNC=C1O MCULE-7853986404 [1,0,0,0,0,0|1,0,1]=3 445 B8R1.5 O=C1NC=CN=C1Cl MCULE-6701443640 [1,0,0,0,0,0|3,0,0]=4 446 B8R1.5 O=C1NC=CNC1=O MCULE-2590826589 [1,0,0,0,0,0|3,0,0]=4 447 B8R1.5 O=C1NC=NC=C1Br MCULE-1914932585 [1,0,0,0,0,0|1,0,1]=3 448 B8R1.5 O=C1NC=NC=C1Br MCULE-4797439815 [1,0,0,0,0,0|1,0,1]=3 449 B8R1.5 O=C1NC=NC=C1Br MCULE-8279175534 [1,0,0,0,0,0|1,0,1]=3 450 B8R1.5 O=C1NC=NC=C1O MCULE-6640057101 [1,0,0,0,0,0|1,0,1]=3 451 B8R1.5 O=C1NCCC=C1Br MCULE-7421402456 [1,0,0,0,0,0|2,0,1]=4 452 B8R1.5 O=C1NCCC=C1Cl MCULE-9026882449 [1,0,0,0,0,0|2,0,1]=4 453 B8R1.5 O=C1NN=CC=C1Br MCULE-3017952463 [1,0,0,0,0,0|3,0,0]=4 454 B8R1.5 O=C1NN=CC=C1Br MCULE-7863801387 [1,0,0,0,0,0|3,0,0]=4 455 B8R1.5 O=C1OC=CC=C1Br MCULE-5287176026 [1,0,0,0,0,0|3,0,0]=4 456 B8R1.5 O=C1OC=CC=C1O MCULE-9890470217 [1,0,0,0,0,0|3,0,0]=4 457 B10R1.22 CC1=C(C(=CC(=O)N1)O)C MCULE-3546454146 [0,1,0,0,0,0|2,0,1]=4 458 B10R1.22 CC1=C(C(=O)NC(=N1)N)C MCULE-8017907361 [0,1,0,0,0,0|2,0,1]=4 459 B10R1.22 CC1=C(C(=O)NC(=O)N1)Br MCULE-9555073495 [0,1,0,0,0,0|1,0,0]=2 460 B10R1.22 CC1=C(C(=O)NC(=O)N1)Cl MCULE-3888854401 [0,1,0,0,0,0|1,0,0]=2 461 B10R1.22 CC1=C(C(=O)NC(=O)N1)I MCULE-2631615338 [0,1,0,0,0,0|1,0,0]=2 462 B10R1.22 CC1=C(C(=O)NC(=O)N1)N MCULE-1788753048 [0,1,0,0,0,0|0,0,0]=1 463 B10R1.22 CC1=C(C(=O)NC(=O)N1)O MCULE-7766529114 [0,1,0,0,0,0|1,0,0]=2 464 B10R1.22 CC1=C(C(=O)NC(=S)N1)C MCULE-7620589455 [0,1,0,0,0,0|1,1,0]=3 465 B10R1.22 CC1=C(N=C(NC1=O)S)N MCULE-1772199181 [0,1,0,0,0,0|1,1,1]=4 466 B10R1.22 CC1=C(NC(=O)C=C1O)Cl MCULE-2948701525 [0,1,0,0,0,0|2,0,1]=4 467 B10R1.22 CC1=C(NC(=O)N=C1N)F MCULE-7465786440 [0,1,0,0,0,0|2,0,1]=4 468 B10R1.22 CC1=C(NC(=O)NC1=O)Cl MCULE-9699231079 [0,1,0,0,0,0|1,0,0]=2 469 B10R1.22 CC1=C(NC(=O)NC1=O)N MCULE-3180991385 [0,1,0,0,0,0|1,0,0]=2 470 B10R1.22 CC1=CC(=C(C(=O)N1)C)O MCULE-2746434164 [0,1,0,0,0,0|3,0,0]=4 471 B10R1.22 CC1=CC(=C(C(=O)N1)N)C MCULE-3042119773 [0,1,0,0,0,0|2,0,0]=3 472 B10R1.22 CC1=CC(=C(C(=O)O1)N)O MCULE-3942877134 [0,1,0,0,0,0|3,0,0]=4 473 B10R1.22 CC1=CC(=O)C(=C(N1)C)C MCULE-7141390274 [0,1,0,0,0,0|3,0,0]=4 474 B10R1.22 CC1=CC(=O)N(C(=S)N1)N MCULE-2856836834 [0,1,0,0,0,0|3,0,0]=4 475 B10R1.22 CC1=CC(=O)NC(=C1Br)C MCULE-3594651484 [0,1,0,0,0,0|3,0,0]=4 476 B10R1.22 CC1=CC(=O)NC(=O)N1C MCULE-4776814426 [0,1,0,0,0,0|3,0,0]=4 477 B10R1.22 CC1=NC(=C(C(=O)N1)C)Cl MCULE-5900147720 [0,1,0,0,0,0|2,0,1]=4 478 B10R1.22 CC1=NC(=C(C(=O)N1)C)O MCULE-6236682380 [0,1,0,0,0,0|2,0,1]=4 479 B10R1.22 CC1=NC(=C(C(=O)N1)Cl)O MCULE-4468060310 [0,1,0,0,0,0|2,0,1]=4 480 B10R1.22 CC1=NC(=O)C(=C(N1)C)F MCULE-5714738648 [0,1,0,0,0,0|2,0,1]=4 481 B10R1.22 CC1=NC(=O)C(=C(N1)Cl)F MCULE-4647805655 [0,1,0,0,0,0|2,0,1]=4 482 B10R1.22 CC1=NC(=O)C(=C(N1)N)N MCULE-1678971295 [0,1,0,0,0,0|1,0,1]=3 483 B10R1.22 CC1=NC(=O)C(=C(N1)O)F MCULE-5847090975 [0,1,0,0,0,0|2,0,1]=4 484 B10R1.22 CC1=NC(=O)NC(=C1Br)C MCULE-2601002419 [0,1,0,0,0,0|2,0,1]=4 485 B10R1.22 CC1C(=O)NC(=O)N=C1Cl MCULE-6395247321 [0,1,0,0,0,0|1,0,2]=4 486 B10R1.22 CC1C(=O)NC(=O)NC1=O MCULE-7961229332 [0,1,0,0,0,0|1,0,1]=3 487 B10R1.22 CN1C(=O)CC(=O)NC1=O MCULE-7478193411 [0,1,0,0,0,0|3,0,0]=4 488 B10R1.22 CN1C(=O)CC(=O)NC1=S MCULE-8355052023 [0,1,0,0,0,0|3,0,0]=4 489 B10R1.22 CN1C(=O)NC(=O)C=C1Cl MCULE-7825661987 [0,1,0,0,0,0|3,0,0]=4 490 B10R1.22 CN1C(=O)NC(=O)C=C1N MCULE-3639154142 [0,1,0,0,0,0|3,0,0]=4 491 B10R1.22 N=C1NC(=N)N(C(=S)N1)N MCULE-8716614218 [0,1,0,0,0,0|2,1,0]=4 492 B10R1.22 NC1=C(C(=O)NC(=O)N1)Br MCULE-8672880869 [0,1,0,0,0,0|1,0,0]=2 493 B10R1.22 NC1=C(C(=O)NC(=O)N1)I MCULE-7637696964 [0,1,0,0,0,0|1,0,0]=2 494 B10R1.22 NC1=C(C(=O)NC(=O)N1)N MCULE-4581359752 [0,1,0,0,0,0|0,0,0]=1 495 B10R1.22 NC1=C(C(=O)NC(=S)N1)N MCULE-2878751510 [0,1,0,0,0,0|0,1,0]=2 496 B10R1.22 NC1=C(C(=S)NC(=S)N1)N MCULE-1211544693 [0,1,0,0,0,0|0,2,0]=3 497 B10R1.22 NC1=NC(=O)C(=C(N1)Cl)Br MCULE-4614433472 [0,1,0,0,0,0|2,0,1]=4 498 B10R1.22 NC1=NC(=O)C(=C(N1)Cl)I MCULE-7938551164 [0,1,0,0,0,0|2,0,1]=4 499 B10R1.22 NC1C(=O)NC(=O)NC1=O MCULE-8127541765 [0,1,0,0,0,0|0,0,1]=2 500 B10R1.22 NC1C(=O)NC(=O)NC1=S MCULE-6414499413 [0,1,0,0,0,0|0,0,1]=2 501 B10R1.22 NC1NC(=O)NC(=O)C1I MCULE-7259635650 [0,1,0,0,0,0|1,0,2]=4 502 B10R1.22 O=C1NC(=O)C(=C(N1)Cl)Br MCULE-3569046173 [0,1,0,0,0,0|1,0,0]=2 503 B10R1.22 O=C1NC(=O)C(=C(N1)Cl)Cl MCULE-8068256823 [0,1,0,0,0,0|1,0,0]=2 504 B10R1.22 O=C1NC(=O)C(=C(N1)Cl)I MCULE-4077077518 [0,1,0,0,0,0|1,0,0]=2 505 B10R1.22 O=C1NC(=O)C(=O)C(=O)N1 MCULE-9690188027 [0,1,0,0,0,0|1,0,0]=2 506 B10R1.22 O=C1NC(=O)C(C(=O)N1)Br MCULE-2631970050 [0,1,0,0,0,0|1,0,1]=3 507 B10R1.22 O=C1NC(=O)C(C(N1)O)F MCULE-8372362265 [0,1,0,0,0,0|1,0,2]=4 508 B10R1.22 [NH3+]C1=C(NC(=S)NC1=O)[O-] MCULE-2685623938 [0,1,0,0,0,0|0,1,1]=3 509 B10R1.25 C#CC1=CN=C(NC1=O)O MCULE-7896618548 [0,1,0,0,0,0|1,0,2]=4 510 B10R1.25 C#CC1=CNC(=O)N=C1N MCULE-5447625605 [0,1,0,0,0,0|2,0,1]=4 511 B10R1.25 C=CC1=C(NC(=O)N=C1)N MCULE-5652210899 [0,1,0,0,0,0|2,0,1]=4 512 B10R1.25 C=CC1=CNC(=O)NC1=O MCULE-6275433808 [0,1,0,0,0,0|1,0,0]=2 513 B10R1.25 C=CN1C=CC(=O)NC1=O MCULE-2627357350 [0,1,0,0,0,0|3,0,0]=4 514 B10R1.25 CC1=CC(=O)C(=CN1)C=O MCULE-2064396181 [0,1,0,0,0,0|3,0,0]=4 515 B10R1.25 CC1=CC=C(C(=O)N1)C#N MCULE-8586842661 [0,1,0,0,0,0|2,0,1]=4 516 B10R1.25 CC1=CC=C(C(=O)N1)CN MCULE-1957647342 [0,1,0,0,0,0|2,0,0]=3 517 B10R1.25 CC1=CC=C(C(=O)N1)CN MCULE-2336990661 [0,1,0,0,0,0|2,0,0]=3 518 B10R1.25 CC1=CC=C(C(=O)N1)CN MCULE-3359434666 [0,1,0,0,0,0|2,0,0]=3 519 B10R1.25 CC1=NC(=O)C(=CN1)CO MCULE-6660169688 [0,1,0,0,0,0|2,0,1]=4 520 B10R1.25 CCC1=CNC(=O)NC1=O MCULE-1403338036 [0,1,0,0,0,0|1,0,0]=2 521 B10R1.25 CCC1=CNC(=S)NC1=O MCULE-5198506906 [0,1,0,0,0,0|1,1,0]=3 522 B10R1.25 CCC1=NNC(=O)NC1=O MCULE-9997971509 [0,1,0,0,0,0|2,0,0]=3 523 B10R1.25 CCC1=NNC(=S)NC1=O MCULE-5256392647 [0,1,0,0,0,0|2,1,0]=4 524 B10R1.25 CCN1C=CC(=O)NC1=O MCULE-5601838024 [0,1,0,0,0,0|3,0,0]=4 525 B10R1.25 CNC1=CNC(=O)NC1=O MCULE-7197367879 [0,1,0,0,0,0|0,0,0]=1 526 B10R1.25 CNC1=NNC(=O)NC1=O MCULE-1745121001 [0,1,0,0,0,0|1,0,0]=2 527 B10R1.25 CNC1=NNC(=O)NC1=O MCULE-5399825497 [0,1,0,0,0,0|1,0,0]=2 528 B10R1.25 CNC1CCC(=O)NC1=O MCULE-2479123541 [0,1,0,0,0,0|1,0,2]=4 529 B10R1.25 CNC1CCC(=O)NC1=O MCULE-9198191101 [0,1,0,0,0,0|1,0,2]=4 530 B10R1.25 COC1=CC=C(NC1=O)Br MCULE-3891884509 [0,1,0,0,0,0|3,0,0]=4 531 B10R1.25 COC1=CNC(=O)C=C1Br MCULE-2073884860 [0,1,0,0,0,0|3,0,0]=4 532 B10R1.25 CSC1=NNC(=O)NC1=O MCULE-9991928243 [0,1,0,0,0,0|2,0,0]=3 533 B10R1.25 C[Se]C1=CNC(=O)NC1=O MCULE-7379851342 [0,1,0,0,0,0|1,0,0]=2 534 B10R1.25 N#CC1=CNC(=NC1=O)N MCULE-8682615876 [0,1,0,0,0,0|1,0,2]=4 535 B10R1.25 N#CC1=CNC(=O)N=C1N MCULE-6407322719 [0,1,0,0,0,0|1,0,2]=4 536 B10R1.25 N#CC1=CNC(=O)NC1=O MCULE-9074750047 [0,1,0,0,0,0|0,0,1]=2 537 B10R1.25 N#CC1CNC(=O)NC1=O MCULE-7857002172 [0,1,0,0,0,0|0,0,3]=4 538 B10R1.25 NC1=C(C=NC(=O)N1)C=O MCULE-6459384186 [0,1,0,0,0,0|2,0,1]=4 539 B10R1.25 NCC1=CNC(=O)NC1=O MCULE-3166341604 [0,1,0,0,0,0|0,0,0]=1 540 B10R1.25 NCC1=CNC(=O)NC1=O MCULE-7365523007 [0,1,0,0,0,0|0,0,0]=1 541 B10R1.25 NCC1=NN=C(NC1=O)N MCULE-4109825425 [0,1,0,0,0,0|2,0,1]=4 542 B10R1.25 NCC1=NN=C(NC1=O)N MCULE-4302208771 [0,1,0,0,0,0|2,0,1]=4 543 B10R1.25 NCC1=NN=C(NC1=O)N MCULE-7509300279 [0,1,0,0,0,0|2,0,1]=4 544 B10R1.25 NNC1=NNC(=O)NC1=O MCULE-1748748455 [0,1,0,0,0,0|1,0,0]=2 545 B10R1.25 O=C1N=CC(C(=O)N1)CO MCULE-7685633888 [0,1,0,0,0,0|1,0,2]=4 546 B10R1.25 O=C1NC(=CC=C1CO)Br MCULE-9560360292 [0,1,0,0,0,0|3,0,0]=4 547 B10R1.25 O=C1NC=C(C(=O)N1)CCl MCULE-8124898362 [0,1,0,0,0,0|1,0,0]=2 548 B10R1.25 O=C1NC=C(C(=O)N1)CO MCULE-2866555326 [0,1,0,0,0,0|1,0,0]=2 549 B10R1.25 O=C1NC=C(C(=O)N1)CS MCULE-1412623155 [0,1,0,0,0,0|1,0,0]=2 550 B10R1.25 O=C1NN=C(C(=O)N1)CCl MCULE-9818168516 [0,1,0,0,0,0|2,0,0]=3 551 B10R1.30 CC1=CC(=C(C=C1)N)C=O MCULE-9267492165 [0,1,0,0,0,0|3,0,0]=4 552 B10R1.30 CCC1=CC(=O)NC=C1Br MCULE-2982129770 [0,1,0,0,0,0|3,0,0]=4 553 B10R1.30 CNC1=C(C=NC(=O)N1)F MCULE-6418967238 [0,1,0,0,0,0|2,0,1]=4 554 B10R1.30 COC1=C(C=NC(=O)N1)F MCULE-5548248130 [0,1,0,0,0,0|1,0,2]=4 555 B10R1.30 COC1=NC(=O)NC=C1C MCULE-2235664193 [0,1,0,0,0,0|1,0,2]=4 556 B10R1.30 N#CC1=C(C=CC(=O)N1)Br MCULE-8533483310 [0,1,0,0,0,0|3,0,0]=4 557 B10R1.30 NC1=C(C=C(C=C1)F)C=O MCULE-3674703097 [0,1,0,0,0,0|3,0,0]=4 558 B10R1.30 NC1=C(C=C(N=C1)Cl)C=O MCULE-1253287296 [0,1,0,0,0,0|2,0,1]=4 559 B10R1.30 NC1=CC=C(C=C1C=O)Br MCULE-8182436669 [0,1,0,0,0,0|3,0,0]=4 560 B10R1.30 NC1=CC=C(C=C1C=O)Cl MCULE-1619350710 [0,1,0,0,0,0|3,0,0]=4 561 B10R1.30 NC1=CC=C(C=C1C=O)I MCULE-6305987815 [0,1,0,0,0,0|3,0,0]=4 562 B10R1.30 NC1=CC=C(C=C1C=O)O MCULE-8364642061 [0,1,0,0,0,0|2,0,1]=4 563 B10R1.30 NC1=CC=C(N=C1C=O)Cl MCULE-2926594445 [0,1,0,0,0,0|2,0,1]=4 564 B10R1.30 NC1=CN=C(C=C1C=O)Br MCULE-8327728354 [0,1,0,0,0,0|2,0,1]=4 565 B10R1.63 CC1(CCC(=O)NC1=O)N MCULE-4541003412 [0,1,0,0,0,0|1,0,2]=4 566 B10R1.63 CC1(CCC(=O)NC1=O)N MCULE-8292642254 [0,1,0,0,0,0|1,0,2]=4 567 B10R1.63 CC1(CNC(=O)NC1=O)Br MCULE-5495395440 [0,1,0,0,0,0|1,0,2]=4 568 B10R1.63 CC1(CNC(=O)NC1=O)C MCULE-3142901801 [0,1,0,0,0,0|1,0,2]=4 569 B10R1.63 O=C1N=CC(C(=O)N1)(F)F MCULE-9287024406 [0,1,0,0,0,0|1,0,2]=4 570 B10R1.118 CC1=C(NC(=O)C(=C1)Br)C MCULE-9337338188 [0,1,0,0,0,0|3,0,0]=4 571 B10R1.118 CC1=C(NC(=O)C(=C1)N)C MCULE-8346394760 [0,1,0,0,0,0|2,0,0]=3 572 B10R1.118 CC1=CC(=C(NC1=O)C)Br MCULE-6286229753 [0,1,0,0,0,0|3,0,0]=4 573 B10R1.118 CC1=CC(=O)C(=CN1C)O MCULE-3927125289 [0,1,0,0,0,0|3,0,0]=4 574 B10R1.118 CC1=CC(=O)N(C=C1Br)C MCULE-9994263549 [0,1,0,0,0,0|3,0,0]=4 575 B10R1.118 CC1=CC(=O)N(C=C1N)C MCULE-3475563427 [0,1,0,0,0,0|2,0,0]=3 576 B10R1.118 CC1=CN(C(=O)NC1=O)C MCULE-2359700701 [0,1,0,0,0,0|1,0,0]=2 577 B10R1.118 CC1=NN(C(=O)NC1=O)C MCULE-2065520759 [0,1,0,0,0,0|2,0,0]=3 578 B10R1.118 CN1C=C(C(=CC1=O)Br)Cl MCULE-2657826391 [0,1,0,0,0,0|3,0,0]=4 579 B10R1.118 CN1C=C(C(=CC1=O)Br)F MCULE-2715772223 [0,1,0,0,0,0|3,0,0]=4 580 B10R1.118 CN1C=C(C(=CC1=O)Cl)Br MCULE-5096342981 [0,1,0,0,0,0|3,0,0]=4 581 B10R1.118 CN1C=C(C(=CC1=O)N)Br MCULE-7538545149 [0,1,0,0,0,0|3,0,0]=4 582 B10R1.118 CN1C=C(C(=CC1=O)N)Br MCULE-9385943306 [0,1,0,0,0,0|3,0,0]=4 583 B10R1.118 CN1C=C(C(=CC1=O)O)Cl MCULE-4494128866 [0,1,0,0,0,0|2,0,1]=4 584 B10R1.118 CN1C=C(C(=O)C=C1Cl)Br MCULE-8326139029 [0,1,0,0,0,0|3,0,0]=4 585 B10R1.118 CN1C=C(C(=O)C=C1Cl)Cl MCULE-5001080806 [0,1,0,0,0,0|3,0,0]=4 586 B10R1.118 CN1C=C(C(=O)NC1=O)Br MCULE-9797104008 [0,1,0,0,0,0|1,0,0]=2 587 B10R1.118 CN1C=C(C(=O)NC1=O)F MCULE-3423067623 [0,1,0,0,0,0|1,0,0]=2 588 B10R1.118 CN1C=C(C(=O)NC1=O)I MCULE-4446207931 [0,1,0,0,0,0|1,0,0]=2 589 B10R1.118 CN1C=C(C(=O)NC1=O)N MCULE-1839355087 [0,1,0,0,0,0|0,0,0]=1 590 B10R1.118 CN1CC(C(=O)NC1=O)Br MCULE-4213754102 [0,1,0,0,0,0|1,0,2]=4 591 B10R1.118 CN1NC(=O)C(=O)NC1=S MCULE-7588171087 [0,1,0,0,0,0|2,1,0]=4 592 B10R1.118 NC1=C(C=C(C(=O)N1)Br)Br MCULE-1214298892 [0,1,0,0,0,0|3,0,0]=4 593 B10R1.118 NC1=CC(=O)C(=CC1=O)N MCULE-8742087850 [0,1,0,0,0,0|3,0,0]=4 594 B10R1.118 O=C1NC(=C(C=C1I)Br)Cl MCULE-2738289791 [0,1,0,0,0,0|3,0,0]=4 595 B10R1.119 CC1=C(C(=O)NC=C1Br)Cl MCULE-4882336590 [0,1,0,0,0,0|3,0,0]=4 596 B10R1.119 CC1=C(C(=O)NC=C1Cl)N MCULE-1151489999 [0,1,0,0,0,0|3,0,0]=4 597 B10R1.119 CC1=C(C(=O)NC=C1I)Br MCULE-8520366551 [0,1,0,0,0,0|3,0,0]=4 598 B10R1.119 CC1=C(C=CC(=O)N1C)Br MCULE-1434092411 [0,1,0,0,0,0|3,0,0]=4 599 B10R1.119 CC1=CC=C(C(=O)N1C)Br MCULE-7217484539 [0,1,0,0,0,0|3,0,0]=4 600 B10R1.119 CC1=CC=C(C(=O)N1C)N MCULE-2787251761 [0,1,0,0,0,0|2,0,0]=3 601 B10R1.119 CC1=CNC(=O)N(C1=O)C MCULE-4564406988 [0,1,0,0,0,0|1,0,0]=2 602 B10R1.119 CC1=NNC(=O)N(C1=O)N MCULE-1706514027 [0,1,0,0,0,0|2,0,0]=3 603 B10R1.119 CN1C(=O)C(=CC=C1Cl)Br MCULE-9134634892 [0,1,0,0,0,0|3,0,0]=4 604 B10R1.119 CN1C(=O)C(=CN=C1Cl)I MCULE-9284659903 [0,1,0,0,0,0|2,0,1]=4 605 B10R1.119 CN1C(=O)C(=CN=C1Cl)O MCULE-2398170450 [0,1,0,0,0,0|2,0,1]=4 606 B10R1.119 CN1C(=O)C=CC(=C1Br)I MCULE-3891393834 [0,1,0,0,0,0|3,0,0]=4 607 B10R1.119 CN1C(=O)C=CC(=C1Cl)Br MCULE-2237825821 [0,1,0,0,0,0|3,0,0]=4 608 B10R1.119 CN1C(=O)CCC(C1=O)N MCULE-4040676144 [0,1,0,0,0,0|1,0,2]=4 609 B10R1.119 CN1C(=O)CCC(C1=O)N MCULE-8025424109 [0,1,0,0,0,0|1,0,2]=4 610 B10R1.119 CN1C=CC(=O)N(C1=O)C MCULE-4521148024 [0,1,0,0,0,0|3,0,0]=4 611 B10R1.176 CC1=CC=C(NC1=O)C#N MCULE-6219353422 [0,1,0,0,0,0|3,0,0]=4 612 B10R1.176 CCC1=NC=C(C(=O)N1)Br MCULE-7563681422 [0,1,0,0,0,0|2,0,1]=4 613 B10R1.176 COC1=NC(=O)C(=CN1)F MCULE-7628449990 [0,1,0,0,0,0|1,0,2]=4 614 B10R1.176 CSC1=NC(=O)C(=CN1)Br MCULE-3439990803 [0,1,0,0,0,0|1,1,1]=4 615 B10R1.176 CSC1=NC=C(C(=O)N1)C MCULE-3824044842 [0,1,0,0,0,0|1,1,1]=4 616 B10R1.176 CSC1=NC=C(C(=O)N1)F MCULE-5448318358 [0,1,0,0,0,0|1,1,1]=4 617 B10R1.176 N#CC1=CC=C(C(=O)N1)Br MCULE-6963212893 [0,1,0,0,0,0|3,0,0]=4 618 B10R1.176 NC1=C(C=C(C=C1)C=O)Cl MCULE-6581779395 [0,1,0,0,0,0|3,0,0]=4 619 B10R1.176 NC1=CC=C(C=C1Br)C=O MCULE-2258289866 [0,1,0,0,0,0|3,0,0]=4 620 B10R1.176 NC1=CC=C(C=C1O)C=O MCULE-2854210458 [0,1,0,0,0,0|2,0,1]=4 621 B10R1.176 NC1=CC=C(N=C1Cl)C=O MCULE-8411200296 [0,1,0,0,0,0|2,0,1]=4 622 B10R1.176 NC1=CN=C(C=C1N)C=O MCULE-3804134847 [0,1,0,0,0,0|2,0,1]=4 623 B10R1.176 NNC1=NC=C(C(=O)N1)F MCULE-8206740592 [0,1,0,0,0,0|2,0,1]=4 624 B10R1.176 O=CC1=CC(=O)C(=CN1)O MCULE-9904953554 [0,1,0,0,0,0|2,0,0]=3 625 B10R1.176 O=CC1=CC(=O)C(=CN1)O MCULE-9987658826 [0,1,0,0,0,0|2,0,0]=3 626 B10R1.176 O=CC1=CC(=O)C(=CO1)O MCULE-5802100251 [0,1,0,0,0,0|3,0,0]=4 627 B8R0.19 C=CC(=O)NC(=O)NC MCULE-7491775676 [0,0,1,0,0,0|1,0,1]=3 628 B8R0.19 C=CC(=O)OC(=O)C=C MCULE-1424322113 [0,0,1,0,0,0|3,0,0]=4 629 B8R0.19 CNC(=O)NC(=O)CCl MCULE-3193763796 [0,0,1,0,0,0|1,0,2]=4 630 B8R0.19 NNC(=O)CC(=O)NN MCULE-3735369273 [0,0,1,0,0,0|3,0,0]=4 631 B8R0.23 CC(=O)NC(=O)C(=O)N MCULE-2486343722 [0,0,1,0,0,0|2,0,0]=3 632 B8R0.23 CC(C)C(=O)NC(=O)N MCULE-6394527783 [0,0,1,0,0,0|1,0,2]=4 633 B8R0.23 CC(Cl)C(=O)NC(=O)N MCULE-9978866053 [0,0,1,0,0,0|1,0,2]=4 634 B8R0.23 NC(=O)C=C(N)C(=O)N MCULE-1435081726 [0,0,1,0,0,0|3,0,0]=4 635 B8R1.18 C=C1CC(=O)OC1=O MCULE-1819893564 [0,0,0,0,1,0|2,0,1]=4 636 B8R1.18 CC1=C(C=C(S1)Br)N MCULE-2952535718 [0,0,0,0,1,0|3,0,0]=4 637 B8R1.18 CC1=C(NC(=O)N1)C MCULE-1459949338 [0,0,0,0,1,0|2,0,0]=3 638 B8R1.18 CC1=C(NC(=S)N1)C MCULE-2671807084 [0,0,0,0,1,0|2,1,0]=4 639 B8R1.18 CC1=C(OC(=O)N1)C MCULE-9563427028 [0,0,0,0,1,0|3,0,0]=4 640 B8R1.18 CC1=C(SC(=O)N1)C MCULE-3147831549 [0,0,0,0,1,0|3,0,0]=4 641 B8R1.18 CC1=CC(=C(N1)C)Br MCULE-6941290548 [0,0,0,0,1,0|3,0,0]=4 642 B8R1.18 CC1=CC(=C(O1)C)N MCULE-1778849195 [0,0,0,0,1,0|3,0,0]=4 643 B8R1.18 CC1=CC(=C(S1)C)N MCULE-1900772181 [0,0,0,0,1,0|3,0,0]=4 644 B8R1.18 CC1=CC(=C(S1)C)N MCULE-7331939624 [0,0,0,0,1,0|3,0,0]=4 645 B8R1.18 CC1=CC(=O)NC1=O MCULE-3109096484 [0,0,0,0,1,0|1,0,0]=2 646 B8R1.18 CC1=CC(=O)NN1C MCULE-4105771613 [0,0,0,0,1,0|3,0,0]=4 647 B8R1.18 CC1=CC(=O)NN1C MCULE-5102421138 [0,0,0,0,1,0|3,0,0]=4 648 B8R1.18 CC1=CC(=O)OC1=O MCULE-1735822163 [0,0,0,0,1,0|2,0,0]=3 649 B8R1.18 CC1=CN(C(=O)N1)C MCULE-6864157223 [0,0,0,0,1,0|3,0,0]=4 650 B8R1.18 CC1=C[C@H](NC1=O)O MCULE-7726239614 [0,0,0,0,1,0|1,0,2]=4 651 B8R1.18 CC1=NC(=C(N1)Cl)N MCULE-5940297748 [0,0,0,0,1,0|2,0,1]=4 652 B8R1.18 CC1=NC(=C(N1)Cl)N MCULE-7482197715 [0,0,0,0,1,0|2,0,1]=4 653 B8R1.18 CC1CC(=O)NC1=O MCULE-2962850802 [0,0,0,0,1,0|1,0,2]=4 654 B8R1.18 CC1NC(=O)CC1=O MCULE-3973500509 [0,0,0,0,1,0|2,0,1]=4 655 B8R1.18 CC1NC(=O)NC1=O MCULE-4619149186 [0,0,0,0,1,0|1,0,1]=3 656 B8R1.18 CC1NC(=O)OC1=O MCULE-5437194910 [0,0,0,0,1,0|2,0,1]=4 657 B8R1.18 CC1NC(=O)OC1=O MCULE-6711218397 [0,0,0,0,1,0|2,0,1]=4 658 B8R1.18 CC1NC(=S)NC1=O MCULE-8518769044 [0,0,0,0,1,0|1,1,1]=4 659 B8R1.18 CC1OC(=O)NC1=O MCULE-8191598152 [0,0,0,0,1,0|2,0,1]=4 660 B8R1.18 CC1SC(=O)NC1=O MCULE-9249450232 [0,0,0,0,1,0|2,0,1]=4 661 B8R1.18 CN1CC(=O)NC1=O MCULE-6246850639 [0,0,0,0,1,0|2,0,1]=4 662 B8R1.18 CN1NC(=O)C=C1N MCULE-9124998543 [0,0,0,0,1,0|2,0,0]=3 663 B8R1.18 CN1OC(=O)C=C1N MCULE-3196224067 [0,0,0,0,1,0|3,0,0]=4 664 B8R1.18 C[C@@H]1CC(=O)NC1=O MCULE-9043552998 [0,0,0,0,1,0|1,0,2]=4 665 B8R1.18 C[C@@H]1NC(=O)NC1=O MCULE-1126054848 [0,0,0,0,1,0|1,0,1]=3 666 B8R1.18 C[C@@H]1NC(=O)OC1=O MCULE-3338806314 [0,0,0,0,1,0|2,0,1]=4 667 B8R1.18 C[C@@H]1NC(=O)OC1=O MCULE-9892061668 [0,0,0,0,1,0|2,0,1]=4 668 B8R1.18 C[C@H]1NC(=O)NC1=O MCULE-5443325319 [0,0,0,0,1,0|1,0,1]=3 669 B8R1.18 C[C@H]1NC(=O)OC1=O MCULE-2658468572 [0,0,0,0,1,0|2,0,1]=4 670 B8R1.18 C[C@H]1NC(=O)OC1=O MCULE-9205776561 [0,0,0,0,1,0|2,0,1]=4 671 B8R1.18 NC1=C(NC(=N1)Br)Br MCULE-2471263526 [0,0,0,0,1,0|2,0,1]=4 672 B8R1.18 NC1CC(=O)NC1=O MCULE-6692452440 [0,0,0,0,1,0|0,0,2]=3 673 B8R1.18 NC1CC(=O)NC1=O MCULE-8447671567 [0,0,0,0,1,0|0,0,2]=3 674 B8R1.18 NC1CC(=O)OC1=O MCULE-1406790351 [0,0,0,0,1,0|1,0,2]=4 675 B8R1.18 NC1CC(=O)OC1=O MCULE-2807590870 [0,0,0,0,1,0|1,0,2]=4 676 B8R1.18 NC1SC(=O)NC1=O MCULE-8460816262 [0,0,0,0,1,0|1,0,1]=3 677 B8R1.18 NN1CC(=O)NC1=O MCULE-6319474334 [0,0,0,0,1,0|1,0,1]=3 678 B8R1.18 NN1CC(=O)NC1=O MCULE-7370713803 [0,0,0,0,1,0|1,0,1]=3 679 B8R1.18 N[C@@H]1CC(=O)NC1=O MCULE-1292090753 [0,0,0,0,1,0|0,0,2]=3 680 B8R1.18 N[C@@H]1CC(=O)NC1=O MCULE-9676397018 [0,0,0,0,1,0|0,0,2]=3 681 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-1937927503 [0,0,0,0,1,0|1,0,2]=4 682 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-2080587685 [0,0,0,0,1,0|1,0,2]=4 683 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-8793349665 [0,0,0,0,1,0|1,0,2]=4 684 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-9640337170 [0,0,0,0,1,0|1,0,2]=4 685 B8R1.18 N[C@H]1CC(=O)NC1=O MCULE-1052396743 [0,0,0,0,1,0|0,0,2]=3 686 B8R1.18 N[C@H]1CC(=O)NC1=O MCULE-1965803095 [0,0,0,0,1,0|0,0,2]=3 687 B8R1.18 N[C@H]1CC(=O)OC1=O MCULE-3191926438 [0,0,0,0,1,0|1,0,2]=4 688 B8R1.18 N[C@H]1CC(=O)OC1=O MCULE-4503342222 [0,0,0,0,1,0|1,0,2]=4 689 B8R1.18 O=C1C=C(C(=O)N1)Br MCULE-6173415556 [0,0,0,0,1,0|1,0,0]=2 690 B8R1.18 O=C1C=C(C(=O)O1)Br MCULE-2984870530 [0,0,0,0,1,0|2,0,0]=3 691 B8R1.18 O=C1C=C(C(N1)O)Br MCULE-4783191833 [0,0,0,0,1,0|1,0,2]=4 692 B8R1.18 O=C1N=C(NC1=O)S MCULE-9704398967 [0,0,0,0,1,0|1,1,1]=4 693 B8R1.18 O=C1NC(=O)C(=O)N1 MCULE-1683872231 [0,0,0,0,1,0|1,0,0]=2 694 B8R1.18 O=C1NC(=O)C(N1)Br MCULE-9177153028 [0,0,0,0,1,0|1,0,1]=3 695 B8R1.18 O=C1NC(=O)C(S1)Br MCULE-7635505691 [0,0,0,0,1,0|2,0,1]=4 696 B8R1.50 CC1=C(C(=CS1)N)C MCULE-6595791851 [0,0,0,0,1,0|3,0,0]=4 697 B8R1.50 CC1=C(C(=NN1)N)Br MCULE-4590026765 [0,0,0,0,1,0|3,0,0]=4 698 B8R1.50 CC1=C(C(=NN1)N)C MCULE-3364940105 [0,0,0,0,1,0|3,0,0]=4 699 B8R1.50 CC1=C(C(=NN1)N)C MCULE-4522470307 [0,0,0,0,1,0|3,0,0]=4 700 B8R1.50 CC1=C(C(=NN1)N)Cl MCULE-8746247642 [0,0,0,0,1,0|3,0,0]=4 701 B8R1.50 CC1=C(C(=O)NC1)C MCULE-4444366984 [0,0,0,0,1,0|2,0,1]=4 702 B8R1.50 CC1=C(C(=O)NN1)Br MCULE-1547416734 [0,0,0,0,1,0|3,0,0]=4 703 B8R1.50 CC1=C(C(=O)NN1)N MCULE-2893871378 [0,0,0,0,1,0|3,0,0]=4 704 B8R1.50 CC1=C(C(=O)NN1)N MCULE-8633976044 [0,0,0,0,1,0|3,0,0]=4 705 B8R1.50 CC1=C(C(=O)NO1)Cl MCULE-8820928279 [0,0,0,0,1,0|3,0,0]=4 706 B8R1.50 CC1=C(NN=C1N)Br MCULE-1613233600 [0,0,0,0,1,0|3,0,0]=4 707 B8R1.50 CC1=C(NN=C1N)N MCULE-7569615928 [0,0,0,0,1,0|3,0,0]=4 708 B8R1.50 CC1=CNC(=C1C)C MCULE-1561607071 [0,0,0,0,1,0|3,0,0]=4 709 B8R1.50 NC1=NNC(=C1N)O MCULE-8953815081 [0,0,0,0,1,0|2,0,1]=4 710 B8R1.50 [NH3+]C1=C(C(=O)NN1)N MCULE-6101059606 [0,0,0,0,1,0|2,0,1]=4 711 B10R1.330 O=C1CNC(=O)NC(=O)C1 MCULE-7213965794 [0,0,0,0,0,1|1,0,1]=3 712 B7R0.7 O=CNC(=O)NC=O MCULE-8913644353 [1,0,1,0,0,0|1,0,0]=3 713 B7R0.4 C=CC=NNC(=O)N MCULE-6611985512 [1,0,1,0,0,0|2,0,0]=4 714 B7R0.6 CC(=O)NCC(=O)N MCULE-7934502236 [1,0,1,0,0,0|1,0,1]=4 715 B7R0.6 NC(=O)/C=C/C(=O)N MCULE-4395066945 [1,0,1,0,0,0|1,0,0]=3 716 B7R0.6 NC(=O)/C=C/C(=O)O MCULE-4042951919 [1,0,1,0,0,0|2,0,0]=4 717 B7R0.6 NC(=O)/C=C\C(=O)O MCULE-9066996879 [1,0,1,0,0,0|2,0,0]=4 718 B7R0.6 NC(=O)/N=N/C(=O)N MCULE-4339161906 [1,0,1,0,0,0|1,0,1]=4 719 B7R0.6 NC(=O)C#CC(=O)N MCULE-4585775503 [1,0,1,0,0,0|1,0,1]=4 720 B7R0.6 NC(=O)C=CC(=O)N MCULE-6392282813 [1,0,1,0,0,0|1,0,0]=3 721 B7R0.6 NC(=O)C=CC(=O)O MCULE-2401877342 [1,0,1,0,0,0|2,0,0]=4 722 B7R0.6 NC(=O)CCC(=O)N MCULE-2107382817 [1,0,1,0,0,0|1,0,1]=4 723 B7R0.6 NC(=O)CNC(=S)N MCULE-6504333241 [1,0,1,0,0,0|0,1,1]=4 724 B7R0.6 NC(=O)N=NC(=O)N MCULE-2129487615 [1,0,1,0,0,0|1,0,1]=4 725 B7R0.6 NC(=O)NCC(=O)O MCULE-7640310218 [1,0,1,0,0,0|1,0,1]=4 726 B7R0.6 NC(=O)NNC(=O)N MCULE-1306740070 [1,0,1,0,0,0|1,0,0]=3 727 B7R0.6 NC(=O)NNC(=S)N MCULE-4551414784 [1,0,1,0,0,0|1,1,0]=4 728 B7R0.2 C=CC(=O)NC(=O)N MCULE-8826369233 [1,0,1,0,0,0|0,0,0]=2 729 B7R0.2 CNC(=O)NC(=O)C MCULE-9100713966 [1,0,1,0,0,0|0,0,2]=4 730 B7R0.2 CNC(=O)NC(=O)N MCULE-8107942434 [1,0,1,0,0,0|0,0,1]=3 731 B7R0.2 NC(=O)NC(=O)CBr MCULE-4561848957 [1,0,1,0,0,0|1,0,1]=4 732 B7R0.2 NC(=O)NC(=O)CCl MCULE-6047100495 [1,0,1,0,0,0|1,0,1]=4 733 B7R1.3 NC1=CC=CC=C1 MCULE-4847634429 [2,0,0,0,0,0|2,0,0]=4 734 B7R1.3 NC1=CC=CC=C1 MCULE-5410588853 [2,0,0,0,0,0|2,0,0]=4 735 B7R1.3 NC1=CC=CC=C1 MCULE-6891341462 [2,0,0,0,0,0|2,0,0]=4 736 B7R1.3 NC1=CC=CC=C1 MCULE-7591084894 [2,0,0,0,0,0|2,0,0]=4 737 B7R1.3 NC1=CC=CC=C1 MCULE-7798499378 [2,0,0,0,0,0|2,0,0]=4 738 B7R1.3 NC1=CC=CC=C1 MCULE-9347486445 [2,0,0,0,0,0|2,0,0]=4 739 B7R1.3 NC1=CN=CC=C1 MCULE-8277888288 [2,0,0,0,0,0|1,0,1]=4 740 B7R1.3 NC1=CN=CN=C1 MCULE-1163796720 [2,0,0,0,0,0|0,0,2]=4 741 B7R1.3 O=C1C=CC=CO1 MCULE-1962369480 [2,0,0,0,0,0|2,0,0]=4 742 B7R1.3 O=C1C=CCCN1 MCULE-9815380990 [2,0,0,0,0,0|1,0,1]=4 743 B7R1.3 O=C1C=COC=C1 MCULE-4737810636 [2,0,0,0,0,0|2,0,0]=4 744 B7R1.3 O=C1C=COCN1 MCULE-7471476237 [2,0,0,0,0,0|1,0,1]=4 745 B7R1.3 O=C1C=NC=CN1 MCULE-1637832118 [2,0,0,0,0,0|2,0,0]=4 746 B7R1.3 O=C1CC=CCN1 MCULE-7370958955 [2,0,0,0,0,0|1,0,1]=4 747 B7R1.3 O=C1CSC=CN1 MCULE-7195428643 [2,0,0,0,0,0|2,0,0]=4 748 B7R1.3 O=C1N=CC=CN1 MCULE-7966583838 [2,0,0,0,0,0|0,0,1]=3 749 B7R1.3 S=C1C=CNC=N1 MCULE-9568191260 [2,0,0,0,0,0|0,1,1]=4 750 B7R1.3 S=C1N=CC=CN1 MCULE-4888458372 [2,0,0,0,0,0|0,1,1]=4 751 B9R1.1 CCC1=CNC(=O)C=C1 MCULE-1841228387 [1,1,0,0,0,0|2,0,0]=4 752 B9R1.1 N#CC1=CNC(=O)C=C1 MCULE-4402104286 [1,1,0,0,0,0|1,0,1]=4 753 B9R1.1 N#CC1=CNC(=O)N=C1 MCULE-1527188279 [1,1,0,0,0,0|0,0,2]=4 754 B9R1.1 N#CC1=CNC(=O)NC1 MCULE-2895626671 [1,1,0,0,0,0|0,0,2]=4 755 B9R1.1 NC1=CC=C(C=C1)C=O MCULE-8532997549 [1,1,0,0,0,0|2,0,0]=4 756 B9R1.1 NC1=CC=C(C=C1)N=O MCULE-7415021362 [1,1,0,0,0,0|2,0,0]=4 757 B9R1.1 NC1=CC=C(C=C1)[As]=O MCULE-5975851465 [1,1,0,0,0,0|2,0,0]=4 758 B9R1.1 NC1=CN=C(C=C1)C=O MCULE-3968072812 [1,1,0,0,0,0|1,0,1]=4 759 B9R1.1 NCC1=CNC(=O)C=C1 MCULE-1151449929 [1,1,0,0,0,0|1,0,0]=3 760 B9R1.1 NCC1=NNC(=O)C=C1 MCULE-3839827679 [1,1,0,0,0,0|2,0,0]=4 761 B9R1.1 NCC1=NNC(=O)C=C1 MCULE-9002975777 [1,1,0,0,0,0|2,0,0]=4 762 B9R1.2 C#CC1=CC(=O)NC=C1 MCULE-6010931422 [1,1,0,0,0,0|2,0,0]=4 763 B9R1.2 C#CC1=CC=CC(=O)N1 MCULE-2597053215 [1,1,0,0,0,0|2,0,0]=4 764 B9R1.2 C#CC1=CC=CC(=O)N1 MCULE-2851617898 [1,1,0,0,0,0|2,0,0]=4 765 B9R1.2 CCC1=CC(=O)NC=C1 MCULE-5087892769 [1,1,0,0,0,0|2,0,0]=4 766 B9R1.2 CNC1=NC(=O)NC=C1 MCULE-3945208648 [1,1,0,0,0,0|1,0,1]=4 767 B9R1.2 COC1=NC(=O)C=CN1 MCULE-4176859501 [1,1,0,0,0,0|0,0,2]=4 768 B9R1.2 CSC1=NC(=O)NC=C1 MCULE-1363527504 [1,1,0,0,0,0|0,1,1]=4 769 B9R1.2 CSC1=NC=CC(=O)N1 MCULE-9680690573 [1,1,0,0,0,0|0,1,1]=4 770 B9R1.2 N#CC1=CC=CC(=O)N1 MCULE-6957227798 [1,1,0,0,0,0|2,0,0]=4 771 B9R1.2 NCC1=CC(=O)NC=C1 MCULE-1956502849 [1,1,0,0,0,0|2,0,0]=4 772 B9R1.2 NCC1=CC(=O)NC=C1 MCULE-5081851358 [1,1,0,0,0,0|2,0,0]=4 773 B9R1.2 NCC1=CC=CC(=O)N1 MCULE-1386831282 [1,1,0,0,0,0|2,0,0]=4 774 B9R1.2 NCC1=CC=CC(=O)N1 MCULE-3025859735 [1,1,0,0,0,0|2,0,0]=4 775 B9R1.2 NCC1=CC=CC(=O)N1 MCULE-8335536241 [1,1,0,0,0,0|2,0,0]=4 776 B9R1.2 NCC1=NC=CC(=O)N1 MCULE-2949674461 [1,1,0,0,0,0|1,0,1]=4 777 B9R1.2 NCC1=NC=CC(=O)N1 MCULE-5370705710 [1,1,0,0,0,0|1,0,1]=4 778 B9R1.2 NNC1=CC(=O)NC=C1 MCULE-2415812047 [1,1,0,0,0,0|2,0,0]=4 779 B9R1.2 NNC1=NC(=O)NC=C1 MCULE-4281041312 [1,1,0,0,0,0|1,0,1]=4 780 B9R1.2 NNC1=NC=CC(=O)N1 MCULE-5975983635 [1,1,0,0,0,0|1,0,1]=4 781 B9R1.2 O=C1C=C(C=CN1)CCl MCULE-8248663590 [1,1,0,0,0,0|2,0,0]=4 782 B9R1.2 O=C1C=C(C=CN1)CO MCULE-2738457100 [1,1,0,0,0,0|1,0,1]=4 783 B9R1.2 O=C1C=CN=C(N1)CCl MCULE-3488826665 [1,1,0,0,0,0|1,0,1]=4 784 B9R1.2 O=C1N=CC=C(N1)NO MCULE-5574799516 [1,1,0,0,0,0|0,0,2]=4 785 B9R1.2 O=CC1=CC(=O)NC=C1 MCULE-5001480578 [1,1,0,0,0,0|1,0,0]=3 786 B9R1.2 O=CC1=CC=CC(=O)N1 MCULE-3898981854 [1,1,0,0,0,0|1,0,0]=3 787 B9R1.3 CC1=C(C(=O)C=CN1)C MCULE-5006486359 [1,1,0,0,0,0|2,0,0]=4 788 B9R1.3 CC1=C(C(=O)C=CN1)O MCULE-4746579757 [1,1,0,0,0,0|2,0,0]=4 789 B9R1.3 CC1=C(C=CNC1=O)Br MCULE-3583219107 [1,1,0,0,0,0|2,0,0]=4 790 B9R1.3 CC1=C(C=CNC1=O)O MCULE-7417449946 [1,1,0,0,0,0|1,0,1]=4 791 B9R1.3 CN1C(=O)C=CC=C1Br MCULE-9204623492 [1,1,0,0,0,0|2,0,0]=4 792 B9R1.3 CN1C(=O)C=CC=C1Cl MCULE-9231681198 [1,1,0,0,0,0|2,0,0]=4 793 B9R1.3 CN1C(=O)C=CC=C1N MCULE-2055741339 [1,1,0,0,0,0|2,0,0]=4 794 B9R1.3 CN1C(=O)C=CC=C1N MCULE-8809604678 [1,1,0,0,0,0|2,0,0]=4 795 B9R1.3 CN1C(=O)C=CN=C1N MCULE-3426992585 [1,1,0,0,0,0|1,0,1]=4 796 B9R1.3 CN1C(=O)C=CNC1=O MCULE-5392412214 [1,1,0,0,0,0|0,0,0]=2 797 B9R1.3 CN1C(=O)C=CNC1=S MCULE-1210464407 [1,1,0,0,0,0|0,1,0]=3 798 B9R1.3 CN1C(=O)C=NNC1=O MCULE-6864350387 [1,1,0,0,0,0|1,0,0]=3 799 B9R1.3 CN1C(=O)N=CC=C1N MCULE-4228941810 [1,1,0,0,0,0|1,0,1]=4 800 B9R1.3 NC1=C(C(=O)NC=C1)I MCULE-3695102386 [1,1,0,0,0,0|2,0,0]=4 801 B9R1.3 NC1=C(C(=O)NC=C1)N MCULE-5013092941 [1,1,0,0,0,0|2,0,0]=4 802 B9R1.3 NN1C(=O)C=NNC1=O MCULE-5939036900 [1,1,0,0,0,0|1,0,0]=3 803 B9R1.3 NN1C(=O)C=NNC1=S MCULE-2713167949 [1,1,0,0,0,0|1,1,0]=4 804 B9R1.3 O=C1N=CNC(=O)C1Br MCULE-4388547885 [1,1,0,0,0,0|2,0,0]=4 805 B9R1.3 O=C1NC=CC(=C1Br)F MCULE-4137751133 [1,1,0,0,0,0|2,0,0]=4 806 B9R1.3 O=C1NC=CC(=C1Br)O MCULE-3131067325 [1,1,0,0,0,0|1,0,1]=4 807 B9R1.3 O=C1NC=CC(=C1Cl)O MCULE-5493350533 [1,1,0,0,0,0|1,0,1]=4 808 B9R1.3 O=C1NC=CC(=C1F)I MCULE-5070253573 [1,1,0,0,0,0|2,0,0]=4 809 B9R1.34 CC1=CC(=CC(=O)N1)Br MCULE-8208292456 [1,1,0,0,0,0|2,0,0]=4 810 B9R1.34 CC1=CC(=CC(=O)N1)Cl MCULE-9615445068 [1,1,0,0,0,0|2,0,0]=4 811 B9R1.34 CC1=CC(=CC(=O)N1)O MCULE-9810636783 [1,1,0,0,0,0|1,0,1]=4 812 B9R1.34 CC1=CC(=NC(=O)N1)C MCULE-6623341819 [1,1,0,0,0,0|1,0,1]=4 813 B9R1.34 CC1=CC(=O)C=C(N1)C MCULE-9549005978 [1,1,0,0,0,0|2,0,0]=4 814 B9R1.34 CC1=CC(=O)CC(=O)O1 MCULE-2238720534 [1,1,0,0,0,0|2,0,0]=4 815 B9R1.34 CC1=CC(=O)N=C(N1)Cl MCULE-3386184434 [1,1,0,0,0,0|1,0,1]=4 816 B9R1.34 CC1=CC(=O)NC(=C1)C MCULE-3175630656 [1,1,0,0,0,0|2,0,0]=4 817 B9R1.34 CC1=CC(=O)NC(=C1)N MCULE-1738074769 [1,1,0,0,0,0|2,0,0]=4 818 B9R1.34 CC1=CC(=O)NC(=S)N1 MCULE-5250952546 [1,1,0,0,0,0|0,1,0]=3 819 B9R1.34 CC1=CC(=O)OC(=O)N1 MCULE-4319728701 [1,1,0,0,0,0|1,0,0]=3 820 B9R1.34 CC1=NC(=CC(=O)N1)N MCULE-8442084767 [1,1,0,0,0,0|1,0,1]=4 821 B9R1.34 CC1CC(=O)NC(=O)N1 MCULE-2066103800 [1,1,0,0,0,0|0,0,2]=4 822 B9R1.34 NC1=CC(=CC(=O)N1)O MCULE-5663243183 [1,1,0,0,0,0|1,0,1]=4 823 B9R1.34 NC1=CC(=O)NC(=C1)F MCULE-1710027350 [1,1,0,0,0,0|2,0,0]=4 824 B9R1.34 NC1=CC(=O)NC(=C1)O MCULE-3882042487 [1,1,0,0,0,0|1,0,1]=4 825 B9R1.34 NC1=CC(=O)NC(=N1)Cl MCULE-6120131493 [1,1,0,0,0,0|1,0,1]=4 826 B9R1.34 NC1=CC(=O)NC(=N1)N MCULE-5011664599 [1,1,0,0,0,0|1,0,1]=4 827 B9R1.34 NC1=NC(=CC(=O)N1)Cl MCULE-7901887440 [1,1,0,0,0,0|1,0,1]=4 828 B9R1.34 NC1=NC(=CC(=O)N1)F MCULE-6215319582 [1,1,0,0,0,0|1,0,1]=4 829 B9R1.34 NC1=NC(=O)CC(=O)N1 MCULE-4304162919 [1,1,0,0,0,0|2,0,0]=4 830 B9R1.34 NC1=NC(=O)NC(=C1)Cl MCULE-1890918637 [1,1,0,0,0,0|1,0,1]=4 831 B9R1.34 NC1=NC(=O)NC(=C1)Cl MCULE-3508827707 [1,1,0,0,0,0|1,0,1]=4 832 B9R1.34 NC1=NC(=O)NC(=C1)F MCULE-8549659767 [1,1,0,0,0,0|1,0,1]=4 833 B9R1.34 O=C1C=C(C=C(N1)Cl)Br MCULE-8632612031 [1,1,0,0,0,0|2,0,0]=4 834 B9R1.34 O=C1C=C(C=C(N1)Cl)Cl MCULE-1887146487 [1,1,0,0,0,0|2,0,0]=4 835 B9R1.34 O=C1C=C(C=C(N1)O)I MCULE-8256519601 [1,1,0,0,0,0|1,0,1]=4 836 B9R1.34 O=C1C=C(NC(=O)N1)Br MCULE-3840650924 [1,1,0,0,0,0|0,0,0]=2 837 B9R1.34 O=C1C=C(NC(=O)N1)Cl MCULE-2281590199 [1,1,0,0,0,0|0,0,0]=2 838 B9R1.34 O=C1C=C(NC(=O)N1)F MCULE-4457115383 [1,1,0,0,0,0|0,0,0]=2 839 B9R1.34 O=C1C=C(NC(=O)N1)I MCULE-4986004483 [1,1,0,0,0,0|0,0,0]=2 840 B9R1.34 O=C1CC(=NC(=O)N1)[O-] MCULE-5852182390 [1,1,0,0,0,0|0,0,2]=4 841 B9R1.34 O=C1CC(=O)NC(=O)N1 MCULE-3947237773 [1,1,0,0,0,0|0,0,1]=3 842 B9R1.34 O=C1CC(=O)NC(=S)N1 MCULE-6314984434 [1,1,0,0,0,0|0,1,1]=4 843 B9R1.34 O=C1N=C(C=C(N1)Cl)Cl MCULE-4885987307 [1,1,0,0,0,0|1,0,1]=4 844 B9R1.34 O=C1N=C(NC(=O)N1)Cl MCULE-5015398867 [1,1,0,0,0,0|1,0,0]=3 845 B9R1.15 C=CC1=CC=CNC1=O MCULE-9861743976 [1,1,0,0,0,0|2,0,0]=4 846 B9R1.15 CNC1=CNC=CC1=N MCULE-7353051654 [1,1,0,0,0,0|2,0,0]=4 847 B9R1.15 COC1=CC=CNC1=O MCULE-1104931579 [1,1,0,0,0,0|2,0,0]=4 848 B9R1.15 COC1=CC=CNC1=O MCULE-3466893667 [1,1,0,0,0,0|2,0,0]=4 849 B9R1.15 COC1=CNC=NC1=O MCULE-1300174224 [1,1,0,0,0,0|1,0,1]=4 850 B9R1.15 N#CC1=CC=CNC1=O MCULE-3971639231 [1,1,0,0,0,0|1,0,1]=4 851 B9R1.15 N#CC1=CNC=CC1=O MCULE-5038874257 [1,1,0,0,0,0|1,0,1]=4 852 B9R1.15 NC1=C(C=CC=C1)C=O MCULE-3374452855 [1,1,0,0,0,0|2,0,0]=4 853 B9R1.15 NC1=CC=CC=C1C=O MCULE-3748234668 [1,1,0,0,0,0|2,0,0]=4 854 B9R1.15 NC1=CC=CN=C1C=O MCULE-2056672803 [1,1,0,0,0,0|1,0,1]=4 855 B9R1.15 NC1=CN=CC=C1C=O MCULE-1025132478 [1,1,0,0,0,0|1,0,1]=4 856 B9R1.15 NC1=CN=CC=C1C=O MCULE-6534510949 [1,1,0,0,0,0|1,0,1]=4 857 B9R1.15 NC1=CN=CC=C1C=O MCULE-9878330070 [1,1,0,0,0,0|1,0,1]=4 858 B9R1.15 NC1=CN=CN=C1C=O MCULE-9497002857 [1,1,0,0,0,0|0,0,2]=4 859 B9R1.15 NCC1=CC=CNC1=O MCULE-6248076104 [1,1,0,0,0,0|1,0,0]=3 860 B9R1.15 NCC1=CC=NNC1=O MCULE-6428527966 [1,1,0,0,0,0|2,0,0]=4 861 B9R1.15 NNC1=NC=CNC1=O MCULE-2665799977 [1,1,0,0,0,0|2,0,0]=4 862 B9R1.15 O=C1NC=CC=C1CO MCULE-9196302433 [1,1,0,0,0,0|2,0,0]=4 863 B9R1.15 O=CC1=CC=CNC1=O MCULE-7147009073 [1,1,0,0,0,0|2,0,0]=4 864 B9R1.22 CC1=CC(=C(N1)C)CN MCULE-3338941162 [0,1,0,0,1,0|2,0,0]=4 865 B9R1.22 CC1=CC(=C(N1)C=O)C MCULE-3691169080 [0,1,0,0,1,0|2,0,0]=4 866 B9R1.22 CCC1=C(NC(=O)N1)C MCULE-1852773802 [0,1,0,0,1,0|2,0,0]=4 867 B9R1.22 CCC1NC(=O)NC1=O MCULE-7573161756 [0,1,0,0,1,0|1,0,1]=4 868 B9R1.22 COC1=CC(=O)OC1=O MCULE-3106776074 [0,1,0,0,1,0|2,0,0]=4 869 B9R1.22 NCC1CC(=O)NC1=O MCULE-4273797051 [0,1,0,0,1,0|0,0,2]=4 870 B9R1.22 NCC1CC(=O)NC1=O MCULE-5127529700 [0,1,0,0,1,0|0,0,2]=4 871 B9R1.22 NCC1NC(=O)NC1=O MCULE-3949033042 [0,1,0,0,1,0|0,0,1]=3 872 B9R1.22 O=C1C=C(C(=O)O1)CBr MCULE-4178564988 [0,1,0,0,1,0|2,0,0]=4 873 B9R1.22 O=C1NC(=O)/C(=C\Br)/N1 MCULE-7888734075 [0,1,0,0,1,0|1,0,0]=3 874 B9R1.22 O=C1NC(=O)C(=CBr)N1 MCULE-4118151888 [0,1,0,0,1,0|1,0,0]=3 875 B9R1.22 O=C1NC(=O)C(N1)CO MCULE-3745105690 [0,1,0,0,1,0|1,0,1]=4 876 B9R1.22 O=C1NC(=O)[C@@H](N1)CO MCULE-4356522352 [0,1,0,0,1,0|1,0,1]=4 877 B9R1.22 O=CC1=C(NC(=O)S1)Cl MCULE-4588050701 [0,1,0,0,1,0|2,0,0]=4 878 B9R1.23 CC1=C(NC(=C1)C=O)C MCULE-6603102591 [0,1,0,0,1,0|2,0,0]=4 879 B9R1.23 CC1=C/C(=N\O)/NC1=O MCULE-4857085921 [0,1,0,0,1,0|1,0,1]=4 880 B9R1.23 O=CC1=CC(=C(N1)Br)Br MCULE-8863769532 [0,1,0,0,1,0|2,0,0]=4 881 B9R1.36 O=C1NS(=O)(=O)NC1=O MCULE-6405396273 [0,1,0,0,1,0|2,0,0]=4 882 B9R1.37 CC1=C(C(=O)OC1=O)Br MCULE-4236448899 [0,1,0,0,1,0|2,0,0]=4 883 B9R1.37 CC1=C(C(=O)OC1=O)C MCULE-9372782914 [0,1,0,0,1,0|2,0,0]=4 884 B9R1.37 CC1=C(N(C(=O)N1)C)C MCULE-4200291906 [0,1,0,0,1,0|2,0,0]=4 885 B9R1.37 CC1=C(N(C(=O)N1)C)C MCULE-6554777788 [0,1,0,0,1,0|2,0,0]=4 886 B9R1.37 CC1=CC(=O)N(C1=O)N MCULE-1955900673 [0,1,0,0,1,0|1,0,0]=3 887 B9R1.37 CC1=CC(=O)N(C1=O)N MCULE-3848588925 [0,1,0,0,1,0|1,0,0]=3 888 B9R1.37 CC1C(=O)NC(=O)N1C MCULE-8491807319 [0,1,0,0,1,0|1,0,1]=4 889 B9R1.37 CC1NC(=O)N(C1=O)C MCULE-9574379568 [0,1,0,0,1,0|1,0,1]=4 890 B9R1.37 CN1C(=O)C=C(C1=O)Br MCULE-6711543006 [0,1,0,0,1,0|1,0,0]=3 891 B9R1.37 CN1C(=O)C=C(C1=O)N MCULE-4181324260 [0,1,0,0,1,0|0,0,0]=2 892 B9R1.37 CN1C(=O)CC(C1=O)N MCULE-1881097860 [0,1,0,0,1,0|0,0,2]=4 893 B9R1.37 CN1C(=O)CC(C1=O)N MCULE-9743249390 [0,1,0,0,1,0|0,0,2]=4 894 B9R1.37 CN1C(=O)C[C@@H](C1=O)N MCULE-4253353358 [0,1,0,0,1,0|0,0,2]=4 895 B9R1.37 CN1C(=O)C[C@@H](C1=O)N MCULE-8722122900 [0,1,0,0,1,0|0,0,2]=4 896 B9R1.37 CN1C(=O)NC(=O)C1=O MCULE-3910177119 [0,1,0,0,1,0|1,0,0]=3 897 B9R1.37 CN1C(=O)NC(=O)C1O MCULE-7416083579 [0,1,0,0,1,0|1,0,1]=4 898 B9R1.37 NN1C(=O)NC(=O)C1=O MCULE-8303778577 [0,1,0,0,1,0|1,0,0]=3 899 B9R1.37 O=C1CC(=O)C(=C1Cl)Cl MCULE-2441107407 [0,1,0,0,1,0|2,0,0]=4 900 B9R1.37 O=C1NC(=O)C(=C1Br)Br MCULE-9909317409 [0,1,0,0,1,0|1,0,0]=3 901 B9R1.37 O=C1NC(=O)C(=C1Cl)Cl MCULE-3248050786 [0,1,0,0,1,0|1,0,0]=3 902 B9R1.37 O=C1OC(=O)C(=C1Br)Br MCULE-7801791381 [0,1,0,0,1,0|2,0,0]=4 903 B9R1.37 O=C1OC(=O)C(=C1Cl)Cl MCULE-3675808148 [0,1,0,0,1,0|2,0,0]=4 904 B9R1.37 O=C1OC(=O)C(=C1F)F MCULE-6538599714 [0,1,0,0,1,0|2,0,0]=4 905 B9R1.37 O=C1SC(=O)C(=C1Cl)Cl MCULE-4755150756 [0,1,0,0,1,0|2,0,0]=4 906 B9R1.38 CC1(NC(=O)NC1=O)C MCULE-9870409973 [0,1,0,0,1,0|1,0,1]=4 907 B9R1.132 CC1=CNC(=C1C)C=O MCULE-7307591897 [0,1,0,0,1,0|2,0,0]=4 908 B11R1.8 CC1=C(NC(=O)NC1=O)CCl MCULE-8748721239 [0,2,0,0,0,0|1,0,0]=3 909 B11R1.8 CC1=C(NC(=O)NC1=O)CO MCULE-2105308817 [0,2,0,0,0,0|1,0,0]=3 910 B11R1.8 CNC1=C(C(=NC(=O)N1)N)N MCULE-1980967343 [0,2,0,0,0,0|1,0,1]=4 911 B11R1.8 CNC1=C(C(=NC(=O)N1)N)N MCULE-9706980810 [0,2,0,0,0,0|1,0,1]=4 912 B11R1.8 NC1=C(NC(=O)NC1=O)N=O MCULE-6121726165 [0,2,0,0,0,0|0,0,0]=2 913 B11R1.8 O=C1NC(=O)C(=C(N1)CCl)Cl MCULE-2767621981 [0,2,0,0,0,0|1,0,0]=3 914 B11R1.8 O=C1NC(=O)C(=C(N1)CO)O MCULE-8946189974 [0,2,0,0,0,0|1,0,0]=3 915 B11R1.32 CC1=C(C(=C(C(=O)N1)N)C)Br MCULE-5495812517 [0,2,0,0,0,0|2,0,0]=4 916 B11R1.32 CC1=C(N(C(=O)NC1=O)C)Br MCULE-6334969144 [0,2,0,0,0,0|1,0,0]=3 917 B11R1.32 CC1=C(N(C(=O)NC1=O)C)N MCULE-3130212976 [0,2,0,0,0,0|1,0,0]=3 918 B11R1.32 CC1=C(N(C(=O)NC1=O)C)N MCULE-7800528537 [0,2,0,0,0,0|1,0,0]=3 919 B11R1.32 CC1=CC(=C(C(=O)N1C)N)Cl MCULE-3522075789 [0,2,0,0,0,0|2,0,0]=4 920 B11R1.32 CC1=CC(=C(C(=O)N1C)N)N MCULE-9005633358 [0,2,0,0,0,0|2,0,0]=4 921 B11R1.32 CC1=CN(C(=O)N(C1=O)C)C MCULE-5441537726 [0,2,0,0,0,0|1,0,0]=3 922 B11R1.32 CN1C(=O)C(=C(N=C1N)Cl)N MCULE-7905942532 [0,2,0,0,0,0|1,0,1]=4 923 B11R1.32 CN1C(=O)NC(=C(C1=O)Cl)Cl MCULE-6608613468 [0,2,0,0,0,0|1,0,0]=3 924 B11R1.32 CN1C(=O)NC(=C(C1=O)N)N MCULE-6292306510 [0,2,0,0,0,0|0,0,0]=2 925 B11R1.32 CN1C(=O)NC(=O)C(=C1N)Br MCULE-9632547087 [0,2,0,0,0,0|1,0,0]=3 926 B11R1.32 CN1C(=O)NC(=O)C(=C1N)N MCULE-1843362847 [0,2,0,0,0,0|0,0,0]=2 927 B11R1.32 CN1C(=O)NC(=O)C(=C1[O-])[NH3+] MCULE-3669749545 [0,2,0,0,0,0|0,0,1]=3 928 B11R1.32 CN1C(=O)NC(=O)N(C1=O)C MCULE-6595211067 [0,2,0,0,0,0|2,0,0]=4 929 B11R1.32 CN1C(=S)NC(=O)C(=C1N)N MCULE-9863179419 [0,2,0,0,0,0|0,1,0]=3 930 B11R1.32 CN1C=C(C(=O)N(C1=O)C)Br MCULE-7108653216 [0,2,0,0,0,0|1,0,0]=3 931 B11R1.32 CN1C=C(C(=O)N(C1=O)C)Cl MCULE-5291463728 [0,2,0,0,0,0|1,0,0]=3 932 B11R1.32 CN1C=C(C(=O)N(C1=O)C)F MCULE-2659877221 [0,2,0,0,0,0|1,0,0]=3 933 B11R1.32 CN1C=C(C(=O)N(C1=O)C)I MCULE-3611872190 [0,2,0,0,0,0|1,0,0]=3 934 B11R1.32 CN1C=C(C(=O)N(C1=O)C)N MCULE-3031672548 [0,2,0,0,0,0|0,0,0]=2 935 B11R1.32 CN1C=C(C(=O)N(C1=O)C)N MCULE-8437637535 [0,2,0,0,0,0|0,0,0]=2 936 B11R1.32 CN1C=C(C(=O)N(C1=O)C)O MCULE-3762331050 [0,2,0,0,0,0|1,0,0]=3 937 B11R1.32 CN1N=C(C(=O)N(C1=O)C)Br MCULE-1406388871 [0,2,0,0,0,0|2,0,0]=4 938 B11R1.32 CN1N=C(C(=O)N(C1=O)C)N MCULE-5456147723 [0,2,0,0,0,0|1,0,0]=3 939 B11R1.32 O=C1NC(=O)N(C(=O)N1Br)Br MCULE-3230631991 [0,2,0,0,0,0|2,0,0]=4 940 B11R1.32 O=C1NC(=O)N(C(=O)N1Cl)Cl MCULE-1506706385 [0,2,0,0,0,0|2,0,0]=4 941 B11R1.325 O=C1NC(=O)C(=O)C(N1)(O)O MCULE-4768389690 [0,2,0,0,0,0|1,0,1]=4 942 B11R1.464 CC1=C(C(=O)NC(=O)N1)C#N MCULE-7141137597 [0,2,0,0,0,0|0,0,1]=3 943 B11R1.464 CC1=C(C(=O)NC(=O)N1)C=O MCULE-8837004520 [0,2,0,0,0,0|1,0,0]=3 944 B11R1.464 CC1=C(C(=O)NC(=O)N1)CBr MCULE-8120864612 [0,2,0,0,0,0|1,0,0]=3 945 B11R1.464 CC1=C(C(=O)NC(=O)N1)CN MCULE-3036586197 [0,2,0,0,0,0|0,0,0]=2 946 B11R1.464 CC1=C(C(=O)NC(=O)N1)CN MCULE-9277898866 [0,2,0,0,0,0|0,0,0]=2 947 B11R1.464 CC1=CC(=C(C(=O)N1)CN)C MCULE-1373808929 [0,2,0,0,0,0|2,0,0]=4 948 B11R1.464 CC1=CC(=C(C(=O)N1)CN)C MCULE-3681074903 [0,2,0,0,0,0|2,0,0]=4 949 B11R1.464 CC1=CC(=C(C(=O)N1)CN)C MCULE-4643535724 [0,2,0,0,0,0|2,0,0]=4 950 B11R1.464 CCC1=C(NC(=O)NC1=O)Cl MCULE-4326893586 [0,2,0,0,0,0|1,0,0]=3 951 B11R1.464 CCC1C(=O)NC(=O)NC1=O MCULE-8814164989 [0,2,0,0,0,0|1,0,1]=4 952 B11R1.464 NC1=C(C(=O)NC(=O)N1)C=O MCULE-1496612859 [0,2,0,0,0,0|1,0,0]=3 953 B11R1.464 NC=C1C(=O)NC(=O)NC1=O MCULE-1330083153 [0,2,0,0,0,0|0,0,0]=2 954 B11R1.464 O=C1NC(=O)C(=NO)C(=O)N1 MCULE-7138709364 [0,2,0,0,0,0|0,0,1]=3 955 B11R1.464 O=C1NC(=S)NC(=O)C1=NO MCULE-4474864402 [0,2,0,0,0,0|0,1,1]=4 956 B11R1.464 O=CC1C(=O)NC(=O)NC1=O MCULE-3411679664 [0,2,0,0,0,0|1,0,1]=4 957 B11R1.553 CC1(C(=O)NC(=O)NC1=O)C MCULE-6485766357 [0,2,0,0,0,0|1,0,1]=4 958 B11R1.553 O=C1NC(=O)C(C(=O)N1)(Br)Br MCULE-8346351406 [0,2,0,0,0,0|1,0,1]=4 959 B11R1.553 O=C1NC(=O)C(C(=O)N1)(F)F MCULE-6947611615 [0,2,0,0,0,0|1,0,1]=4 960 B11R1.553 O=C1NC(=O)C(C(=O)N1)(O)O MCULE-6660159645 [0,2,0,0,0,0|1,0,1]=4 961 B11R1.81 CC#CC1=CNC(=O)NC1=O MCULE-8358817835 [0,2,0,0,0,0|1,0,0]=3 962 B11R1.81 CC=CC1=CNC(=O)NC1=O MCULE-4721530440 [0,2,0,0,0,0|1,0,0]=3 963 B11R1.81 CCCC1=CNC(=O)NC1=O MCULE-8394981937 [0,2,0,0,0,0|1,0,0]=3 964 B11R1.81 CCCC1=CNC(=S)NC1=O MCULE-2990631990 [0,2,0,0,0,0|1,1,0]=4 965 B11R1.81 N#CSC1=CNC(=O)NC1=O MCULE-9970752556 [0,2,0,0,0,0|0,0,1]=3 966 B11R1.81 NCCC1=CNC(=O)NC1=O MCULE-3530218801 [0,2,0,0,0,0|0,0,0]=2 967 B11R1.81 NCCN1C=CC(=O)NC1=O MCULE-1453792924 [0,2,0,0,0,0|2,0,0]=4 968 B11R1.81 NCCN1C=CC(=O)NC1=O MCULE-4499625116 [0,2,0,0,0,0|2,0,0]=4 969 B11R1.81 O=C1NC=C(C(=O)N1)C=CBr MCULE-8691433423 [0,2,0,0,0,0|1,0,0]=3 970 B11R1.81 O=C1NC=C(C(=O)N1)CCBr MCULE-6227911247 [0,2,0,0,0,0|1,0,0]=3 971 B11R1.81 O=CNC1=CNC(=O)NC1=O MCULE-2332240580 [0,2,0,0,0,0|0,0,0]=2 972 B11R1.166 CC(=O)C1=CNC(=O)NC1=O MCULE-1649935554 [0,2,0,0,0,0|1,0,0]=3 973 B11R1.166 CC(C)C1=CNC(=O)NC1=O MCULE-3947572766 [0,2,0,0,0,0|1,0,0]=3 974 B11R1.166 CN(C)C1=CNC(=O)NC1=O MCULE-4069013031 [0,2,0,0,0,0|0,0,0]=2 975 B11R1.166 NC(=O)C1=CNC(=S)NC1=O MCULE-4921249657 [0,2,0,0,0,0|0,1,0]=3 976 B11R1.166 O=C(O)C1=CNC(=S)NC1=O MCULE-9382232313 [0,2,0,0,0,0|1,1,0]=4 977 B11R1.166 O=C1C=CC(=C(O)O)C(=O)N1 MCULE-9157421658 [0,2,0,0,0,0|2,0,0]=4 978 B11R1.166 O=C1NC=C(C(=O)N1)B(O)O MCULE-8246711181 [0,2,0,0,0,0|1,0,0]=3 979 B11R1.166 O=C1NC=C(C(=O)N1)N(=O)=O MCULE-2585658755 [0,2,0,0,0,0|0,0,1]=3 980 B11R1.166 O=C1NN=C(C(=O)N1)N(=O)=O MCULE-5318888276 [0,2,0,0,0,0|1,0,1]=4 981 B11R1.277 CC1=C(NC(=O)C(=C1)CN)C MCULE-4160011534 [0,2,0,0,0,0|2,0,0]=4 982 B11R1.277 CN1C=C(C(=O)NC1=O)C#N MCULE-7145262827 [0,2,0,0,0,0|0,0,1]=3 983 B11R1.277 CN1C=C(C(=O)NC1=O)CN MCULE-1884366258 [0,2,0,0,0,0|0,0,0]=2 984 B11R1.277 CN1C=C(C(=O)NC1=O)CN MCULE-6995014333 [0,2,0,0,0,0|0,0,0]=2 985 B11R1.278 CC1=CC=C(C(=O)N1C)CN MCULE-8215239804 [0,2,0,0,0,0|2,0,0]=4 986 B11R1.278 CC1=CC=C(C(=O)N1C)CN MCULE-9758093812 [0,2,0,0,0,0|2,0,0]=4 987 B11R1.278 CCC1=NNC(=O)N(C1=O)N MCULE-5795926485 [0,2,0,0,0,0|2,0,0]=4 988 B11R1.278 CN1C(=O)NC=C(C1=O)C#N MCULE-1234747754 [0,2,0,0,0,0|0,0,1]=3 989 B11R1.167 O=C1C=C(C(=CN1)Br)C(=O)O MCULE-5737352913 [0,2,0,0,0,0|2,0,0]=4 990 B11R1.167 O=C1C=CC(=C(N1)C(=O)O)F MCULE-7084782558 [0,2,0,0,0,0|2,0,0]=4 991 B11R1.21 CC1=CC=C(NC1=O)C(=O)O MCULE-6187964907 [0,2,0,0,0,0|2,0,0]=4 992 B11R1.21 O=C(O)C1=CC(=O)C(=CN1)O MCULE-7068244192 [0,2,0,0,0,0|2,0,0]=4 993 B11R1.21 O=C(O)C1=CC=C(C(=O)N1)Cl MCULE-7545589568 [0,2,0,0,0,0|2,0,0]=4 994 B11R1.21 O=C(O)C1=CC=C(C(=O)N1)O MCULE-5144413741 [0,2,0,0,0,0|2,0,0]=4 995 B9R1.6 NC(=O)C1=CNC=CC1 MCULE-5235252463 [0,0,1,1,0,0|2,0,0]=4 996 B9R1.35 NC(=O)C1=CC=C(N1)Br MCULE-4987575614 [0,0,1,1,0,0|2,0,0]=4 997 B9R1.35 O=C1NC(=CO1)C(=O)O MCULE-2610586771 [0,0,1,1,0,0|2,0,0]=4 998 B9R1.35 O=C1NC(=CS1)C(=O)O MCULE-6848220699 [0,0,1,1,0,0|2,0,0]=4 999 B9R1.35 O=C1NC=C(N1)C(=O)O MCULE-2879870126 [0,0,1,1,0,0|1,0,0]=3 1000 B9R1.35 O=C1NC=C(O1)C(=O)O MCULE-1855563319 [0,0,1,1,0,0|2,0,0]=4 1001 B9R1.35 O=C1NN=C(N1)C(=O)[O-] MCULE-6855966971 [0,0,1,1,0,0|2,0,0]=4 1002 B11R2.36 O=C1C=C2C=NNC2=CN1 MCULE-2139296733 [0,1,0,1,0,0|2,0,0]=4 1003 B11R2.36 O=C1C=CC2=C(N1)C=NN2 MCULE-4444779209 [0,1,0,1,0,0|2,0,0]=4 1004 B7R1.2 CC1=CC(=CS1)N MCULE-4677626148 [1,0,0,0,1,0|2,0,0]=4 1005 B7R1.2 CC1=CC(=CS1)N MCULE-4954759044 [1,0,0,0,1,0|2,0,0]=4 1006 B7R1.2 CC1=CC(=O)NO1 MCULE-4569959155 [1,0,0,0,1,0|2,0,0]=4 1007 B7R1.2 CC1=CNC(=C1)C MCULE-6480137920 [1,0,0,0,1,0|2,0,0]=4 1008 B7R1.2 CC1=CNC(=O)N1 MCULE-7571832495 [1,0,0,0,1,0|1,0,0]=3 1009 B7R1.2 CC1=CSC(=O)N1 MCULE-6083480700 [1,0,0,0,1,0|2,0,0]=4 1010 B7R1.2 NC1=CC(=NN1)N MCULE-3789616992 [1,0,0,0,1,0|2,0,0]=4 1011 B7R1.2 NC1=CC(=NN1)N MCULE-9475481176 [1,0,0,0,1,0|2,0,0]=4 1012 B7R1.2 NC1=CC(=O)CC1 MCULE-9465243079 [1,0,0,0,1,0|1,0,1]=4 1013 B7R1.2 NC1=CC(=O)CS1 MCULE-9118810823 [1,0,0,0,1,0|2,0,0]=4 1014 B7R1.2 NC1=CC(=O)NN1 MCULE-6721529473 [1,0,0,0,1,0|1,0,0]=3 1015 B7R1.2 NC1=CSC(=C1)Br MCULE-4419421889 [1,0,0,0,1,0|2,0,0]=4 1016 B7R1.2 NC1=CSC(=C1)Br MCULE-4824675898 [1,0,0,0,1,0|2,0,0]=4 1017 B7R1.2 NC1=CSC(=C1)Br MCULE-9713306865 [1,0,0,0,1,0|2,0,0]=4 1018 B7R1.2 NC1=CSC(=C1)Cl MCULE-1264261152 [1,0,0,0,1,0|2,0,0]=4 1019 B7R1.2 NC1=CSC(=C1)Cl MCULE-4907003251 [1,0,0,0,1,0|2,0,0]=4 1020 B7R1.2 NC1=NCC(=O)N1 MCULE-7816305365 [1,0,0,0,1,0|2,0,0]=4 1021 B7R1.2 NC1=NCC(=O)N1 MCULE-9546104284 [1,0,0,0,1,0|2,0,0]=4 1022 B7R1.2 NC1=NNC(=C1)F MCULE-1801922879 [1,0,0,0,1,0|2,0,0]=4 1023 B7R1.2 NC1=NNC(=O)C1 MCULE-1000997494 [1,0,0,0,1,0|1,0,1]=4 1024 B7R1.2 NC1=NNC(=O)N1 MCULE-9633941721 [1,0,0,0,1,0|1,0,0]=3 1025 B7R1.2 O=C1C=C(CN1)Br MCULE-7250904402 [1,0,0,0,1,0|1,0,1]=4 1026 B7R1.2 O=C1C=C(CN1)O MCULE-4305405716 [1,0,0,0,1,0|1,0,1]=4 1027 B7R1.2 O=C1C=C(SN1)Cl MCULE-6118293142 [1,0,0,0,1,0|2,0,0]=4 1028 B7R1.2 O=C1C=CC(=O)N1 MCULE-3677915339 [1,0,0,0,1,0|2,0,0]=4 1029 B7R1.2 O=C1CNC(=O)N1 MCULE-6812812243 [1,0,0,0,1,0|1,0,1]=4 1030 B7R1.2 O=C1NC(=CS1)O MCULE-2237666080 [1,0,0,0,1,0|2,0,0]=4 1031 B7R1.2 O=C1NC=C(S1)Cl MCULE-7571560638 [1,0,0,0,1,0|2,0,0]=4 1032 B7R1.2 O=C1NCC(=S)N1 MCULE-9753398150 [1,0,0,0,1,0|1,0,1]=4 1033 B7R1.2 O=C1NN=C(N1)Br MCULE-1124720587 [1,0,0,0,1,0|2,0,0]=4 1034 B7R1.2 O=C1NN=C(N1)Cl MCULE-5593292847 [1,0,0,0,1,0|2,0,0]=4 1035 B7R1.2 O=C1NNC(=O)N1 MCULE-5611157961 [1,0,0,0,1,0|2,0,0]=4 1036 B7R1.2 O=C1NOC(=O)N1 MCULE-5599103299 [1,0,0,0,1,0|2,0,0]=4 1037 B7R1.4 CC1=C(NC=C1)C MCULE-3747569551 [1,0,0,0,1,0|2,0,0]=4 1038 B7R1.4 CC1=CNNC1=O MCULE-9098077492 [1,0,0,0,1,0|2,0,0]=4 1039 B7R1.4 CN1C=CNC1=O MCULE-9198950029 [1,0,0,0,1,0|2,0,0]=4 1040 B7R1.4 CN1NC=CC1=O MCULE-4425265471 [1,0,0,0,1,0|2,0,0]=4 1041 B7R1.4 NC1=CNNC1=O MCULE-5341060497 [1,0,0,0,1,0|2,0,0]=4 1042 B7R1.4 NC1=CNNC1=O MCULE-9560987259 [1,0,0,0,1,0|2,0,0]=4 1043 B7R1.4 O=C1CCNC1=O MCULE-6243503430 [1,0,0,0,1,0|0,0,2]=4 1044 B7R1.15 O=C1C=C(C1=O)O MCULE-3440355716 [0,0,0,0,2,0|1,0,0]=3 1045 B7R1.15 O=C1C=C(C1=O)[O-] MCULE-9991893223 [0,0,0,0,2,0|1,0,0]=3 1046 B9R0.53 NC(=O)NC(=O)NC(=O)N MCULE-9269358670 [0,0,1,0,0,1|1,0,0]=3