0 B9R1.163 CC(=O)C1(CCCC1)C MCULE-7946764519 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.163 CC(=O)C1(CCCC1)N MCULE-1766488888 [0,0,0,0,0,0|1,0,0]=1 2 B9R1.163 CC(=O)C1(CCCC1)N MCULE-2390313394 [0,0,0,0,0,0|1,0,0]=1 3 B9R1.163 CC(=O)C1(CCCC1)O MCULE-4607553416 [0,0,0,0,0,0|2,0,0]=2 4 B9R1.163 CC(=O)C1(CCCO1)C MCULE-3832225855 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.163 CC(C)C1(CCCC1)O MCULE-6047423621 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.163 CC(O)C1(CCCO1)C MCULE-8176746692 [0,0,0,0,0,0|3,0,1]=4 7 B9R1.163 CC1(C=CCC1)C(=O)O MCULE-5900825388 [0,0,0,0,0,0|1,0,2]=3 8 B9R1.163 CC1(CC=CC1)C(=O)O MCULE-6612456038 [0,0,0,0,0,0|1,0,2]=3 9 B9R1.163 CC1(CCCC1)C(=O)Cl MCULE-6905026517 [0,0,0,0,0,0|2,0,0]=2 10 B9R1.163 CC1(CCCC1)C(=O)O MCULE-8150530718 [0,0,0,0,0,0|1,0,0]=1 11 B9R1.163 CC1(CCCN1)C(=O)N MCULE-1073156492 [0,0,0,0,0,0|3,0,0]=3 12 B9R1.163 CC1(CCCN1)C(=O)N MCULE-4207908355 [0,0,0,0,0,0|3,0,0]=3 13 B9R1.163 CC1(CCCN1)C(=O)N MCULE-5102556329 [0,0,0,0,0,0|3,0,0]=3 14 B9R1.163 CC1(CCCN1)C(=O)O MCULE-2669113714 [0,0,0,0,0,0|2,0,0]=2 15 B9R1.163 CC1(CCCN1)C(=O)O MCULE-3184723558 [0,0,0,0,0,0|2,0,0]=2 16 B9R1.163 CC1(CCCN1)C(=O)O MCULE-5494365974 [0,0,0,0,0,0|2,0,0]=2 17 B9R1.163 CC1(CCCN1)C(=O)O MCULE-9532642299 [0,0,0,0,0,0|2,0,0]=2 18 B9R1.163 CC1(CCCN1)C(=O)O MCULE-9805069526 [0,0,0,0,0,0|2,0,0]=2 19 B9R1.163 CC1(CCCO1)C(=O)O MCULE-9576233735 [0,0,0,0,0,0|2,0,0]=2 20 B9R1.163 CC1(CCCS1)C(=O)O MCULE-3409370715 [0,0,0,0,0,0|2,0,0]=2 21 B9R1.163 CC1(CCNC1)C(=O)N MCULE-9618767565 [0,0,0,0,0,0|3,0,0]=3 22 B9R1.163 CC1(CCNC1)C(=O)O MCULE-2715430873 [0,0,0,0,0,0|2,0,0]=2 23 B9R1.163 CC1(CCNC1)C(=O)O MCULE-4084355022 [0,0,0,0,0,0|2,0,0]=2 24 B9R1.163 CC1(CCOC1)C(=O)O MCULE-6893882009 [0,0,0,0,0,0|2,0,0]=2 25 B9R1.163 CC1(CSSC1)C(=O)N MCULE-8448182442 [0,0,0,0,0,0|4,0,0]=4 26 B9R1.163 CC1(CSSC1)C(=O)O MCULE-1267186189 [0,0,0,0,0,0|3,0,0]=3 27 B9R1.163 CC1(NCCS1)C(=O)O MCULE-3303237869 [0,0,0,0,0,0|3,0,0]=3 28 B9R1.163 CC1(OCCO1)C(=O)O MCULE-6576803543 [0,0,0,0,0,0|3,0,0]=3 29 B9R1.163 C[C@@H](O)C1(CCCO1)C MCULE-7551769191 [0,0,0,0,0,0|3,0,1]=4 30 B9R1.163 C[C@@]1(CCCN1)C(=O)O MCULE-2607591453 [0,0,0,0,0,0|2,0,0]=2 31 B9R1.163 C[C@@]1(CCCN1)C(=O)O MCULE-6141960789 [0,0,0,0,0,0|2,0,0]=2 32 B9R1.163 C[C@@]1(CCCN1)C(=O)O MCULE-7011144386 [0,0,0,0,0,0|2,0,0]=2 33 B9R1.163 C[C@@]1(CCCN1)C(=O)O MCULE-8922118927 [0,0,0,0,0,0|2,0,0]=2 34 B9R1.163 C[C@@]1(CCCO1)C(=O)O MCULE-5169117592 [0,0,0,0,0,0|2,0,0]=2 35 B9R1.163 C[C@@]1(CCNC1)C(=O)O MCULE-3070355045 [0,0,0,0,0,0|2,0,0]=2 36 B9R1.163 C[C@@]1(CCNC1)C(=O)O MCULE-3719506215 [0,0,0,0,0,0|2,0,0]=2 37 B9R1.163 C[C@@]1(CCOC1)C(=O)O MCULE-5585882923 [0,0,0,0,0,0|2,0,0]=2 38 B9R1.163 C[C@]1(CCCN1)C(=O)N MCULE-4783754920 [0,0,0,0,0,0|3,0,0]=3 39 B9R1.163 C[C@]1(CCCN1)C(=O)N MCULE-7441682522 [0,0,0,0,0,0|3,0,0]=3 40 B9R1.163 C[C@]1(CCCN1)C(=O)N MCULE-8011663424 [0,0,0,0,0,0|3,0,0]=3 41 B9R1.163 C[C@]1(CCCN1)C(=O)O MCULE-6724020872 [0,0,0,0,0,0|2,0,0]=2 42 B9R1.163 C[C@]1(CCCN1)C(=O)O MCULE-7675502884 [0,0,0,0,0,0|2,0,0]=2 43 B9R1.163 C[C@]1(CCCN1)C(=O)O MCULE-8343149548 [0,0,0,0,0,0|2,0,0]=2 44 B9R1.163 C[C@]1(CCCN1)C(=O)O MCULE-9260269719 [0,0,0,0,0,0|2,0,0]=2 45 B9R1.163 C[C@]1(CCCO1)C(=O)O MCULE-3910400790 [0,0,0,0,0,0|2,0,0]=2 46 B9R1.163 C[C@]1(CCNC1)C(=O)O MCULE-1423230640 [0,0,0,0,0,0|2,0,0]=2 47 B9R1.163 C[C@]1(CCNC1)C(=O)O MCULE-7327407576 [0,0,0,0,0,0|2,0,0]=2 48 B9R1.163 C[N+]1(CCCC1)S(=O)[O-] MCULE-4420186353 [0,0,0,0,0,0|3,0,1]=4 49 B9R1.163 NC(=O)C1(CCCC1)N MCULE-1603183997 [0,0,0,0,0,0|1,0,0]=1 50 B9R1.163 NC(=O)C1(CCCC1)N MCULE-6535833155 [0,0,0,0,0,0|1,0,0]=1 51 B9R1.163 NC(=O)C1(CCCC1)O MCULE-7750018506 [0,0,0,0,0,0|2,0,0]=2 52 B9R1.163 NC(=O)C1(CCNC1)F MCULE-2967472132 [0,0,0,0,0,0|3,0,0]=3 53 B9R1.163 NC(=O)C1(CCNC1)O MCULE-3402125568 [0,0,0,0,0,0|3,0,0]=3 54 B9R1.163 NC(=O)C1(CCNC1)O MCULE-4107989965 [0,0,0,0,0,0|3,0,0]=3 55 B9R1.163 NC(=O)C1(CCSC1)N MCULE-1255795217 [0,0,0,0,0,0|2,0,0]=2 56 B9R1.163 NC(=O)C1(CCSC1)O MCULE-2351837625 [0,0,0,0,0,0|3,0,0]=3 57 B9R1.163 NC(=S)C1(CCCC1)N MCULE-1374309481 [0,0,0,0,0,0|1,1,0]=2 58 B9R1.163 NC1(CC=CC1)C(=O)O MCULE-1445980877 [0,0,0,0,0,0|0,0,2]=2 59 B9R1.163 NC1(CC=CC1)C(=O)O MCULE-5381827504 [0,0,0,0,0,0|0,0,2]=2 60 B9R1.163 NC1(CCCC1)C(=O)O MCULE-6366286422 [0,0,0,0,0,0|0,0,0]=0 61 B9R1.163 NC1(CCCC1)C(F)F MCULE-1697400122 [0,0,0,0,0,0|2,0,1]=3 62 B9R1.163 NC1(CCCC1)C(F)F MCULE-9463138858 [0,0,0,0,0,0|2,0,1]=3 63 B9R1.163 NC1(CCNC1)C(=O)O MCULE-1061035749 [0,0,0,0,0,0|1,0,0]=1 64 B9R1.163 NC1(CCOC1)C(=O)O MCULE-1020331216 [0,0,0,0,0,0|1,0,0]=1 65 B9R1.163 NC1(CCOC1)C(=O)O MCULE-3239849151 [0,0,0,0,0,0|1,0,0]=1 66 B9R1.163 NC1(CCOC1)C(=O)O MCULE-7635316557 [0,0,0,0,0,0|1,0,0]=1 67 B9R1.163 NC1(CCSC1)C(=O)O MCULE-2866413498 [0,0,0,0,0,0|1,0,0]=1 68 B9R1.163 NC1(CCSC1)C(=O)O MCULE-3077570702 [0,0,0,0,0,0|1,0,0]=1 69 B9R1.163 N[C@@]1(CCOC1)C(=O)O MCULE-4940789798 [0,0,0,0,0,0|1,0,0]=1 70 B9R1.163 N[C@@]1(CCOC1)C(=O)O MCULE-9120207414 [0,0,0,0,0,0|1,0,0]=1 71 B9R1.163 N[C@@]1(CCSC1)C(=O)O MCULE-3449072625 [0,0,0,0,0,0|1,0,0]=1 72 B9R1.163 N[C@@]1(CCSC1)C(=O)O MCULE-6533506498 [0,0,0,0,0,0|1,0,0]=1 73 B9R1.163 N[C@]1(CCNC1)C(=O)O MCULE-5112163951 [0,0,0,0,0,0|1,0,0]=1 74 B9R1.163 N[C@]1(CCNC1)C(=O)O MCULE-7065442028 [0,0,0,0,0,0|1,0,0]=1 75 B9R1.163 N[C@]1(CCOC1)C(=O)O MCULE-6757422211 [0,0,0,0,0,0|1,0,0]=1 76 B9R1.163 N[C@]1(CCOC1)C(=O)O MCULE-8786481856 [0,0,0,0,0,0|1,0,0]=1 77 B9R1.163 N[C@]1(CCSC1)C(=O)O MCULE-1832449395 [0,0,0,0,0,0|1,0,0]=1 78 B9R1.163 N[C@]1(CCSC1)C(=O)O MCULE-1974139646 [0,0,0,0,0,0|1,0,0]=1 79 B9R1.163 O=C(O)C1(CCCC1)Br MCULE-3131005284 [0,0,0,0,0,0|1,0,0]=1 80 B9R1.163 O=C(O)C1(CCCC1)F MCULE-4282263280 [0,0,0,0,0,0|1,0,0]=1 81 B9R1.163 O=C(O)C1(CCCC1)O MCULE-2147028492 [0,0,0,0,0,0|1,0,0]=1 82 B9R1.163 O=C(O)C1(CCNC1)F MCULE-3943818123 [0,0,0,0,0,0|2,0,0]=2 83 B9R1.163 O=C(O)C1(CCNC1)F MCULE-9385624346 [0,0,0,0,0,0|2,0,0]=2 84 B9R1.163 O=C(O)C1(CCNC1)O MCULE-5890399768 [0,0,0,0,0,0|2,0,0]=2 85 B9R1.163 O=C(O)C1(CCNC1)O MCULE-5910869185 [0,0,0,0,0,0|2,0,0]=2 86 B9R1.163 O=C(O)C1(CCOC1)F MCULE-5718551369 [0,0,0,0,0,0|2,0,0]=2 87 B9R1.163 O=C(O)C1(CCOC1)O MCULE-8834969992 [0,0,0,0,0,0|2,0,0]=2 88 B9R1.163 O=C(O)C1(CCSC1)O MCULE-7477879136 [0,0,0,0,0,0|2,0,0]=2 89 B9R1.163 O=C(O)[C@@]1(CCNC1)F MCULE-8296048165 [0,0,0,0,0,0|2,0,0]=2 90 B8R1.7 C1(CCCN1)C(=O)N MCULE-2539007211 [1,0,0,0,0,0|2,0,0]=3 91 B8R1.7 C1(CCCN1)C(=O)N MCULE-7289713183 [1,0,0,0,0,0|2,0,0]=3 92 B8R1.7 C1(CCNC1)C(=O)N MCULE-4476688014 [1,0,0,0,0,0|2,0,0]=3 93 B8R1.7 C1(CCNC1)C(=O)N MCULE-8592806332 [1,0,0,0,0,0|2,0,0]=3 94 B8R1.7 C1(CCNC1)C(=O)O MCULE-3210241958 [1,0,0,0,0,0|1,0,0]=2 95 B8R1.7 C1(CCNC1)C(=O)O MCULE-6517290754 [1,0,0,0,0,0|1,0,0]=2 96 B8R1.7 C1(CCOC1)C(=O)O MCULE-4859263225 [1,0,0,0,0,0|1,0,0]=2 97 B8R1.7 CC(=O)C1=CCCC1 MCULE-9623046872 [1,0,0,0,0,0|1,0,2]=4 98 B8R1.7 CC(=O)C1CCC=N1 MCULE-5434976735 [1,0,0,0,0,0|2,0,1]=4 99 B8R1.7 CC(=O)C1CCCC1 MCULE-7952211819 [1,0,0,0,0,0|1,0,0]=2 100 B8R1.7 CC(=O)C1CCCN1 MCULE-2528977871 [1,0,0,0,0,0|2,0,0]=3 101 B8R1.7 CC(=O)C1CCCN1 MCULE-9222880225 [1,0,0,0,0,0|2,0,0]=3 102 B8R1.7 CC(=O)C1CCCO1 MCULE-7518147693 [1,0,0,0,0,0|2,0,0]=3 103 B8R1.7 CC(=O)C1CCNC1 MCULE-2147779518 [1,0,0,0,0,0|2,0,0]=3 104 B8R1.7 CC(=O)C1CCNC1 MCULE-2964372059 [1,0,0,0,0,0|2,0,0]=3 105 B8R1.7 CC(=O)C1CCOC1 MCULE-2105633909 [1,0,0,0,0,0|2,0,0]=3 106 B8R1.7 CC(=O)C1NCCS1 MCULE-4092674646 [1,0,0,0,0,0|3,0,0]=4 107 B8R1.7 CC(=O)C1NCCS1 MCULE-8660367055 [1,0,0,0,0,0|3,0,0]=4 108 B8R1.7 CC(=O)N1CCCC1 MCULE-6839528034 [1,0,0,0,0,0|2,0,0]=3 109 B8R1.7 CC(=O)[C@@H]1CCCN1 MCULE-1290635339 [1,0,0,0,0,0|2,0,0]=3 110 B8R1.7 CC(=O)[C@@H]1CCCN1 MCULE-2855198659 [1,0,0,0,0,0|2,0,0]=3 111 B8R1.7 CC(=O)[C@@H]1CCCN1 MCULE-2944662012 [1,0,0,0,0,0|2,0,0]=3 112 B8R1.7 CC(=O)[C@@H]1CCCN1 MCULE-4806473466 [1,0,0,0,0,0|2,0,0]=3 113 B8R1.7 CC(=O)[C@@H]1CCCO1 MCULE-2015960170 [1,0,0,0,0,0|2,0,0]=3 114 B8R1.7 CC(=O)[C@@H]1CCCO1 MCULE-3381319090 [1,0,0,0,0,0|2,0,0]=3 115 B8R1.7 CC(=O)[C@H]1CCCN1 MCULE-2095368644 [1,0,0,0,0,0|2,0,0]=3 116 B8R1.7 CC(=O)[C@H]1CCCN1 MCULE-5460066005 [1,0,0,0,0,0|2,0,0]=3 117 B8R1.7 CC(=O)[C@H]1CCCO1 MCULE-5637204370 [1,0,0,0,0,0|2,0,0]=3 118 B8R1.7 CC(Br)C1CCCC1 MCULE-9104958283 [1,0,0,0,0,0|2,0,1]=4 119 B8R1.7 CC(C)C1CCCC1 MCULE-4905120936 [1,0,0,0,0,0|2,0,1]=4 120 B8R1.7 CC(N)C1CCCC1 MCULE-1576719851 [1,0,0,0,0,0|2,0,1]=4 121 B8R1.7 CC(N)C1CCCC1 MCULE-9047229690 [1,0,0,0,0,0|2,0,1]=4 122 B8R1.7 CC(O)C1CCCC1 MCULE-6730583511 [1,0,0,0,0,0|1,0,1]=3 123 B8R1.7 CC(O)C1CCCO1 MCULE-2804362263 [1,0,0,0,0,0|2,0,1]=4 124 B8R1.7 CC(O)C1CCNC1 MCULE-3316354505 [1,0,0,0,0,0|2,0,1]=4 125 B8R1.7 CC(O)C1CCNC1 MCULE-6188875194 [1,0,0,0,0,0|2,0,1]=4 126 B8R1.7 CC(O)C1CCOC1 MCULE-1059653145 [1,0,0,0,0,0|2,0,1]=4 127 B8R1.7 CN(C)C1CCCC1 MCULE-2157359156 [1,0,0,0,0,0|3,0,0]=4 128 B8R1.7 C[C@@H](N)C1CCCC1 MCULE-2532670333 [1,0,0,0,0,0|2,0,1]=4 129 B8R1.7 C[C@@H](N)C1CCCC1 MCULE-7828853056 [1,0,0,0,0,0|2,0,1]=4 130 B8R1.7 C[C@@H](N)C1CCCC1 MCULE-8150036197 [1,0,0,0,0,0|2,0,1]=4 131 B8R1.7 C[C@@H](N)C1CCCC1 MCULE-8243361407 [1,0,0,0,0,0|2,0,1]=4 132 B8R1.7 C[C@@H](O)C1CCCC1 MCULE-2530250478 [1,0,0,0,0,0|1,0,1]=3 133 B8R1.7 C[C@@H](O)[C@H]1CCCO1 MCULE-6393902221 [1,0,0,0,0,0|2,0,1]=4 134 B8R1.7 C[C@H](N)C1CCCC1 MCULE-4224874512 [1,0,0,0,0,0|2,0,1]=4 135 B8R1.7 C[C@H](N)C1CCCC1 MCULE-6435654240 [1,0,0,0,0,0|2,0,1]=4 136 B8R1.7 C[C@H](N)C1CCCC1 MCULE-8124130642 [1,0,0,0,0,0|2,0,1]=4 137 B8R1.7 C[C@H](N)C1CCCC1 MCULE-9554309821 [1,0,0,0,0,0|2,0,1]=4 138 B8R1.7 C[C@H](O)C1CCCC1 MCULE-9054245488 [1,0,0,0,0,0|1,0,1]=3 139 B8R1.7 C[C@H](O)C1CCCO1 MCULE-5402066981 [1,0,0,0,0,0|2,0,1]=4 140 B8R1.7 C[C@H](O)C1CCOC1 MCULE-9092941508 [1,0,0,0,0,0|2,0,1]=4 141 B8R1.7 C[C@H](O)[C@@H]1CCCN1 MCULE-5014228849 [1,0,0,0,0,0|2,0,1]=4 142 B8R1.7 C[C@H](O)[C@@H]1CCCN1 MCULE-5063876687 [1,0,0,0,0,0|2,0,1]=4 143 B8R1.7 C[C@H](O)[C@@H]1CCCO1 MCULE-3917713920 [1,0,0,0,0,0|2,0,1]=4 144 B8R1.7 N=C(N)C1CCCC1 MCULE-3526902612 [1,0,0,0,0,0|2,0,0]=3 145 B8R1.7 N=C(N)C1CCCC1 MCULE-7613986881 [1,0,0,0,0,0|2,0,0]=3 146 B8R1.7 N=C(N)C1CCCN1 MCULE-3357684433 [1,0,0,0,0,0|3,0,0]=4 147 B8R1.7 N=C(N)C1CCCN1 MCULE-7506606085 [1,0,0,0,0,0|3,0,0]=4 148 B8R1.7 N=C(N)C1CCCO1 MCULE-1348627071 [1,0,0,0,0,0|3,0,0]=4 149 B8R1.7 N=C(N)C1CCCO1 MCULE-4359589378 [1,0,0,0,0,0|3,0,0]=4 150 B8R1.7 N=C(N)C1CCOC1 MCULE-1442525298 [1,0,0,0,0,0|3,0,0]=4 151 B8R1.7 N=C(N)C1CCOC1 MCULE-2289256622 [1,0,0,0,0,0|3,0,0]=4 152 B8R1.7 N=C(N)C1CCOC1 MCULE-6644963466 [1,0,0,0,0,0|3,0,0]=4 153 B8R1.7 N=C(N)N1CCCC1 MCULE-1081237301 [1,0,0,0,0,0|3,0,0]=4 154 B8R1.7 N=C(N)N1CCCC1 MCULE-2310711826 [1,0,0,0,0,0|3,0,0]=4 155 B8R1.7 N=C(N)N1CCCC1 MCULE-5860683743 [1,0,0,0,0,0|3,0,0]=4 156 B8R1.7 N=C(N)N1CCCC1 MCULE-9334495491 [1,0,0,0,0,0|3,0,0]=4 157 B8R1.7 NC(=O)C1CC=CC1 MCULE-5556484257 [1,0,0,0,0,0|1,0,2]=4 158 B8R1.7 NC(=O)C1CCCC1 MCULE-3900666396 [1,0,0,0,0,0|1,0,0]=2 159 B8R1.7 NC(=O)C1CCCN1 MCULE-4159463416 [1,0,0,0,0,0|2,0,0]=3 160 B8R1.7 NC(=O)C1CCCN1 MCULE-4804910089 [1,0,0,0,0,0|2,0,0]=3 161 B8R1.7 NC(=O)C1CCCO1 MCULE-9101921416 [1,0,0,0,0,0|2,0,0]=3 162 B8R1.7 NC(=O)C1CCNC1 MCULE-6035608651 [1,0,0,0,0,0|2,0,0]=3 163 B8R1.7 NC(=O)C1CCNC1 MCULE-8602888952 [1,0,0,0,0,0|2,0,0]=3 164 B8R1.7 NC(=O)C1CCOC1 MCULE-7120435380 [1,0,0,0,0,0|2,0,0]=3 165 B8R1.7 NC(=O)C1CSCN1 MCULE-7557874523 [1,0,0,0,0,0|3,0,0]=4 166 B8R1.7 NC(=O)N1CCCC1 MCULE-2282948234 [1,0,0,0,0,0|2,0,0]=3 167 B8R1.7 NC(=O)[C@@H]1CCCN1 MCULE-2635874022 [1,0,0,0,0,0|2,0,0]=3 168 B8R1.7 NC(=O)[C@@H]1CCCN1 MCULE-2652734118 [1,0,0,0,0,0|2,0,0]=3 169 B8R1.7 NC(=O)[C@@H]1CCCN1 MCULE-4692992308 [1,0,0,0,0,0|2,0,0]=3 170 B8R1.7 NC(=O)[C@@H]1CCCN1 MCULE-6463625531 [1,0,0,0,0,0|2,0,0]=3 171 B8R1.7 NC(=O)[C@@H]1CCCO1 MCULE-3181755658 [1,0,0,0,0,0|2,0,0]=3 172 B8R1.7 NC(=O)[C@@H]1CCCO1 MCULE-9348376356 [1,0,0,0,0,0|2,0,0]=3 173 B8R1.7 NC(=O)[C@@H]1CCNC1 MCULE-1320057579 [1,0,0,0,0,0|2,0,0]=3 174 B8R1.7 NC(=O)[C@@H]1CCNC1 MCULE-1678228480 [1,0,0,0,0,0|2,0,0]=3 175 B8R1.7 NC(=O)[C@@H]1CCNC1 MCULE-3340066069 [1,0,0,0,0,0|2,0,0]=3 176 B8R1.7 NC(=O)[C@@H]1CCNC1 MCULE-8833406496 [1,0,0,0,0,0|2,0,0]=3 177 B8R1.7 NC(=O)[C@H]1CCCN1 MCULE-1391877694 [1,0,0,0,0,0|2,0,0]=3 178 B8R1.7 NC(=O)[C@H]1CCCN1 MCULE-2636422628 [1,0,0,0,0,0|2,0,0]=3 179 B8R1.7 NC(=O)[C@H]1CCCN1 MCULE-3135852117 [1,0,0,0,0,0|2,0,0]=3 180 B8R1.7 NC(=O)[C@H]1CCCN1 MCULE-9661392945 [1,0,0,0,0,0|2,0,0]=3 181 B8R1.7 NC(=O)[C@H]1CCNC1 MCULE-1673594093 [1,0,0,0,0,0|2,0,0]=3 182 B8R1.7 NC(=O)[C@H]1CCNC1 MCULE-6725123306 [1,0,0,0,0,0|2,0,0]=3 183 B8R1.7 NC(=O)[C@H]1CCNC1 MCULE-7222756259 [1,0,0,0,0,0|2,0,0]=3 184 B8R1.7 NC(=O)[C@H]1CCNC1 MCULE-8100234071 [1,0,0,0,0,0|2,0,0]=3 185 B8R1.7 NC(=O)[C@H]1CCOC1 MCULE-1231475693 [1,0,0,0,0,0|2,0,0]=3 186 B8R1.7 NC(=S)C1CCCC1 MCULE-8081902896 [1,0,0,0,0,0|1,1,0]=3 187 B8R1.7 NC(=S)C1CCCO1 MCULE-7906949480 [1,0,0,0,0,0|2,1,0]=4 188 B8R1.7 NC(=S)C1CCNC1 MCULE-4169836111 [1,0,0,0,0,0|2,1,0]=4 189 B8R1.7 NC(=S)C1CCOC1 MCULE-1942658620 [1,0,0,0,0,0|2,1,0]=4 190 B8R1.7 NC(=S)N1CCCC1 MCULE-1483517657 [1,0,0,0,0,0|2,1,0]=4 191 B8R1.7 O=C(Cl)C1CC=CC1 MCULE-8148758182 [1,0,0,0,0,0|1,0,2]=4 192 B8R1.7 O=C(Cl)C1CCCC1 MCULE-1337538941 [1,0,0,0,0,0|1,0,0]=2 193 B8R1.7 O=C(Cl)C1CCCO1 MCULE-9691919934 [1,0,0,0,0,0|2,0,0]=3 194 B8R1.7 O=C(Cl)C1CCOC1 MCULE-9071234830 [1,0,0,0,0,0|2,0,0]=3 195 B8R1.7 O=C(Cl)N1CCCC1 MCULE-2201729080 [1,0,0,0,0,0|2,0,0]=3 196 B8R1.7 O=C(O)C1=CCCC1 MCULE-2928571993 [1,0,0,0,0,0|0,0,2]=3 197 B8R1.7 O=C(O)C1=CCCO1 MCULE-8380391200 [1,0,0,0,0,0|1,0,2]=4 198 B8R1.7 O=C(O)C1=CCCS1 MCULE-9231409703 [1,0,0,0,0,0|1,0,2]=4 199 B8R1.7 O=C(O)C1=CCNC1 MCULE-2391284266 [1,0,0,0,0,0|1,0,2]=4 200 B8R1.7 O=C(O)C1=CCNC1 MCULE-5725335930 [1,0,0,0,0,0|1,0,2]=4 201 B8R1.7 O=C(O)C1=CCOC1 MCULE-3209603870 [1,0,0,0,0,0|1,0,2]=4 202 B8R1.7 O=C(O)C1=CCSC1 MCULE-3187835692 [1,0,0,0,0,0|1,0,2]=4 203 B8R1.7 O=C(O)C1=COCC1 MCULE-7263072561 [1,0,0,0,0,0|1,0,2]=4 204 B8R1.7 O=C(O)C1=NCCC1 MCULE-2664768755 [1,0,0,0,0,0|1,0,1]=3 205 B8R1.7 O=C(O)C1=NOCC1 MCULE-3126584315 [1,0,0,0,0,0|2,0,1]=4 206 B8R1.7 O=C(O)C1C=CCC1 MCULE-8870546284 [1,0,0,0,0,0|0,0,2]=3 207 B8R1.7 O=C(O)C1C=CCN1 MCULE-2141949922 [1,0,0,0,0,0|1,0,2]=4 208 B8R1.7 O=C(O)C1C=CCN1 MCULE-3068035697 [1,0,0,0,0,0|1,0,2]=4 209 B8R1.7 O=C(O)C1C=CCN1 MCULE-4825351403 [1,0,0,0,0,0|1,0,2]=4 210 B8R1.7 O=C(O)C1C=CCN1 MCULE-9928071710 [1,0,0,0,0,0|1,0,2]=4 211 B8R1.7 O=C(O)C1C=CCO1 MCULE-7417068170 [1,0,0,0,0,0|1,0,2]=4 212 B8R1.7 O=C(O)C1CC=CC1 MCULE-7876630177 [1,0,0,0,0,0|0,0,2]=3 213 B8R1.7 O=C(O)C1CCC=N1 MCULE-1792151957 [1,0,0,0,0,0|1,0,1]=3 214 B8R1.7 O=C(O)C1CCCC1 MCULE-6415159340 [1,0,0,0,0,0|0,0,0]=1 215 B8R1.7 O=C(O)C1CCCN1 MCULE-2229401513 [1,0,0,0,0,0|1,0,0]=2 216 B8R1.7 O=C(O)C1CCCN1 MCULE-6305507014 [1,0,0,0,0,0|1,0,0]=2 217 B8R1.7 O=C(O)C1CCCN1 MCULE-8387491590 [1,0,0,0,0,0|1,0,0]=2 218 B8R1.7 O=C(O)C1CCCN1 MCULE-8611160929 [1,0,0,0,0,0|1,0,0]=2 219 B8R1.7 O=C(O)C1CCCO1 MCULE-1952289090 [1,0,0,0,0,0|1,0,0]=2 220 B8R1.7 O=C(O)C1CCCO1 MCULE-5387481824 [1,0,0,0,0,0|1,0,0]=2 221 B8R1.7 O=C(O)C1CCCS1 MCULE-7760686042 [1,0,0,0,0,0|1,0,0]=2 222 B8R1.7 O=C(O)C1CCNC1 MCULE-4976520029 [1,0,0,0,0,0|1,0,0]=2 223 B8R1.7 O=C(O)C1CCNC1 MCULE-5937045785 [1,0,0,0,0,0|1,0,0]=2 224 B8R1.7 O=C(O)C1CCNC1 MCULE-6983695276 [1,0,0,0,0,0|1,0,0]=2 225 B8R1.7 O=C(O)C1CCOC1 MCULE-3567941338 [1,0,0,0,0,0|1,0,0]=2 226 B8R1.7 O=C(O)C1CCSC1 MCULE-7898686734 [1,0,0,0,0,0|1,0,0]=2 227 B8R1.7 O=C(O)C1COCN1 MCULE-4997392610 [1,0,0,0,0,0|2,0,0]=3 228 B8R1.7 O=C(O)C1COCN1 MCULE-7001651226 [1,0,0,0,0,0|2,0,0]=3 229 B8R1.7 O=C(O)C1CSCN1 MCULE-2391637686 [1,0,0,0,0,0|2,0,0]=3 230 B8R1.7 O=C(O)C1CSCN1 MCULE-9622331370 [1,0,0,0,0,0|2,0,0]=3 231 B8R1.7 O=C(O)C1CSSC1 MCULE-8231952386 [1,0,0,0,0,0|2,0,0]=3 232 B8R1.7 O=C(O)C1NCCS1 MCULE-2504435743 [1,0,0,0,0,0|2,0,0]=3 233 B8R1.7 O=C(O)C1SCCS1 MCULE-4466563646 [1,0,0,0,0,0|2,0,0]=3 234 B8R1.7 O=C(O)N1CCCC1 MCULE-7984061130 [1,0,0,0,0,0|1,0,0]=2 235 B8R1.7 O=C(O)[C@@H]1C=CCN1 MCULE-2515045579 [1,0,0,0,0,0|1,0,2]=4 236 B8R1.7 O=C(O)[C@@H]1C=CCN1 MCULE-3589058117 [1,0,0,0,0,0|1,0,2]=4 237 B8R1.7 O=C(O)[C@@H]1C=CCN1 MCULE-7995918745 [1,0,0,0,0,0|1,0,2]=4 238 B8R1.7 O=C(O)[C@@H]1C=CCN1 MCULE-8155212892 [1,0,0,0,0,0|1,0,2]=4 239 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-1020921088 [1,0,0,0,0,0|1,0,0]=2 240 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-6398060480 [1,0,0,0,0,0|1,0,0]=2 241 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-6772131264 [1,0,0,0,0,0|1,0,0]=2 242 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-8415049837 [1,0,0,0,0,0|1,0,0]=2 243 B8R1.7 O=C(O)[C@@H]1CCCO1 MCULE-5193388500 [1,0,0,0,0,0|1,0,0]=2 244 B8R1.7 O=C(O)[C@@H]1CCCO1 MCULE-8181760406 [1,0,0,0,0,0|1,0,0]=2 245 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-3068007507 [1,0,0,0,0,0|1,0,0]=2 246 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-4477578687 [1,0,0,0,0,0|1,0,0]=2 247 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-4524201006 [1,0,0,0,0,0|1,0,0]=2 248 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-4868292658 [1,0,0,0,0,0|1,0,0]=2 249 B8R1.7 O=C(O)[C@@H]1CCOC1 MCULE-4807765276 [1,0,0,0,0,0|1,0,0]=2 250 B8R1.7 O=C(O)[C@@H]1CCOC1 MCULE-7912413581 [1,0,0,0,0,0|1,0,0]=2 251 B8R1.7 O=C(O)[C@@H]1COCN1 MCULE-1547472283 [1,0,0,0,0,0|2,0,0]=3 252 B8R1.7 O=C(O)[C@@H]1COCN1 MCULE-1876089066 [1,0,0,0,0,0|2,0,0]=3 253 B8R1.7 O=C(O)[C@@H]1COCN1 MCULE-1926856350 [1,0,0,0,0,0|2,0,0]=3 254 B8R1.7 O=C(O)[C@@H]1COCN1 MCULE-9876695932 [1,0,0,0,0,0|2,0,0]=3 255 B8R1.7 O=C(O)[C@@H]1CSCN1 MCULE-4243406881 [1,0,0,0,0,0|2,0,0]=3 256 B8R1.7 O=C(O)[C@@H]1CSCN1 MCULE-6343154165 [1,0,0,0,0,0|2,0,0]=3 257 B8R1.7 O=C(O)[C@H]1C=CCN1 MCULE-2145380755 [1,0,0,0,0,0|1,0,2]=4 258 B8R1.7 O=C(O)[C@H]1C=CCN1 MCULE-5768283844 [1,0,0,0,0,0|1,0,2]=4 259 B8R1.7 O=C(O)[C@H]1C=CCN1 MCULE-8522372891 [1,0,0,0,0,0|1,0,2]=4 260 B8R1.7 O=C(O)[C@H]1CCCN1 MCULE-5856142508 [1,0,0,0,0,0|1,0,0]=2 261 B8R1.7 O=C(O)[C@H]1CCCN1 MCULE-7748032436 [1,0,0,0,0,0|1,0,0]=2 262 B8R1.7 O=C(O)[C@H]1CCCO1 MCULE-2258024439 [1,0,0,0,0,0|1,0,0]=2 263 B8R1.7 O=C(O)[C@H]1CCCO1 MCULE-5143953192 [1,0,0,0,0,0|1,0,0]=2 264 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-2003400674 [1,0,0,0,0,0|1,0,0]=2 265 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-2851087395 [1,0,0,0,0,0|1,0,0]=2 266 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-7223432888 [1,0,0,0,0,0|1,0,0]=2 267 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-7610384670 [1,0,0,0,0,0|1,0,0]=2 268 B8R1.7 O=C(O)[C@H]1CCOC1 MCULE-3213766488 [1,0,0,0,0,0|1,0,0]=2 269 B8R1.7 O=C(O)[C@H]1CCOC1 MCULE-9627397250 [1,0,0,0,0,0|1,0,0]=2 270 B8R1.7 O=C(O)[C@H]1CSCN1 MCULE-6095527710 [1,0,0,0,0,0|2,0,0]=3 271 B8R1.7 O=C(O)[C@H]1CSCN1 MCULE-9117444908 [1,0,0,0,0,0|2,0,0]=3 272 B8R1.7 O=C([O-])C1CCC=N1 MCULE-3235635441 [1,0,0,0,0,0|1,0,2]=4 273 B8R1.7 O=C([O-])C1CCCN1 MCULE-9155494525 [1,0,0,0,0,0|1,0,1]=3 274 B8R1.7 O=C([O-])C1CSCN1 MCULE-9836043803 [1,0,0,0,0,0|2,0,1]=4 275 B8R1.7 O=C([O-])[C@@H]1CCCN1 MCULE-2694821396 [1,0,0,0,0,0|1,0,1]=3 276 B8R1.7 O=C([O-])[C@@H]1CCCN1 MCULE-8353601451 [1,0,0,0,0,0|1,0,1]=3 277 B8R1.7 O=N(=O)C1CCCC1 MCULE-6499665829 [1,0,0,0,0,0|1,0,1]=3 278 B8R1.7 O=S([O-])C1CCCC1 MCULE-4973639131 [1,0,0,0,0,0|1,0,1]=3 279 B8R1.7 O=S([O-])C1CCCC1 MCULE-9227389818 [1,0,0,0,0,0|1,0,1]=3 280 B8R1.7 O=S([O-])C1CCOC1 MCULE-2574399704 [1,0,0,0,0,0|2,0,1]=4 281 B8R1.7 O=S([O-])C1CCOC1 MCULE-8651987419 [1,0,0,0,0,0|2,0,1]=4 282 B8R1.7 OB(O)C1CCCC1 MCULE-7101191940 [1,0,0,0,0,0|1,0,1]=3 283 B8R1.7 OB(O)C1CCCN1 MCULE-5123578937 [1,0,0,0,0,0|2,0,1]=4 284 B8R1.7 OB(O)C1CCCN1 MCULE-6072524963 [1,0,0,0,0,0|2,0,1]=4 285 B8R1.7 OB(O)C1CCOC1 MCULE-6097210028 [1,0,0,0,0,0|2,0,1]=4 286 B8R1.7 S=C(S)N1CCCC1 MCULE-1085952223 [1,0,0,0,0,0|1,2,0]=4 287 B8R1.7 S=C([S-])N1CCCC1 MCULE-9299211770 [1,0,0,0,0,0|1,2,0]=4 288 B8R1.7 S=C([S-])N1CCCC1 MCULE-9637056918 [1,0,0,0,0,0|1,2,0]=4 289 B8R1.7 [C@@H]1(CSCN1)C(=O)[O-] MCULE-3895380806 [1,0,0,0,0,0|2,0,1]=4 290 B8R1.7 [NH2+]=C(N)N1CCCC1 MCULE-9887365479 [1,0,0,0,0,0|3,0,0]=4 291 B8R1.52 C#CC1(CCCC1)C MCULE-9671261567 [1,0,0,0,0,0|2,0,1]=4 292 B8R1.52 C#CC1(CCCC1)N MCULE-2932081709 [1,0,0,0,0,0|1,0,1]=3 293 B8R1.52 C#CC1(CCCC1)N MCULE-9707098843 [1,0,0,0,0,0|1,0,1]=3 294 B8R1.52 C#CC1(CCCC1)O MCULE-7428088952 [1,0,0,0,0,0|2,0,1]=4 295 B8R1.52 C=C[Si]1(CCCC1)C MCULE-3298566075 [1,0,0,0,0,0|2,1,0]=4 296 B8R1.52 CC1(CCCC1)C#N MCULE-2721276425 [1,0,0,0,0,0|2,0,1]=4 297 B8R1.52 CC1(CCCC1)C=O MCULE-2794420297 [1,0,0,0,0,0|1,0,0]=2 298 B8R1.52 CC1(CCCC1)CBr MCULE-8731175743 [1,0,0,0,0,0|2,0,1]=4 299 B8R1.52 CC1(CCCC1)CN MCULE-5367013560 [1,0,0,0,0,0|2,0,1]=4 300 B8R1.52 CC1(CCCC1)CN MCULE-5646661577 [1,0,0,0,0,0|2,0,1]=4 301 B8R1.52 CC1(CCCC1)CO MCULE-5781311918 [1,0,0,0,0,0|1,0,1]=3 302 B8R1.52 CC1(CCCN1)CO MCULE-6540579872 [1,0,0,0,0,0|2,0,1]=4 303 B8R1.52 CC1(CCCN1)CO MCULE-8257131278 [1,0,0,0,0,0|2,0,1]=4 304 B8R1.52 CC1(CCCN1)CO MCULE-8482084576 [1,0,0,0,0,0|2,0,1]=4 305 B8R1.52 CC1(CCCN1)CO MCULE-8834174428 [1,0,0,0,0,0|2,0,1]=4 306 B8R1.52 CC1(CCCO1)C=O MCULE-4619641299 [1,0,0,0,0,0|2,0,0]=3 307 B8R1.52 CC1(CCCO1)CO MCULE-9259109857 [1,0,0,0,0,0|2,0,1]=4 308 B8R1.52 CC1(CCCS1)C=O MCULE-9560124012 [1,0,0,0,0,0|2,0,0]=3 309 B8R1.52 CC1(CCNC1)CO MCULE-4860869358 [1,0,0,0,0,0|2,0,1]=4 310 B8R1.52 CC1(CCNC1)CO MCULE-5952337109 [1,0,0,0,0,0|2,0,1]=4 311 B8R1.52 CC1(CCNC1)CO MCULE-8822036636 [1,0,0,0,0,0|2,0,1]=4 312 B8R1.52 CC1(CCOC1)CO MCULE-7949441451 [1,0,0,0,0,0|2,0,1]=4 313 B8R1.52 CCC1(CCCC1)C MCULE-5104658069 [1,0,0,0,0,0|2,0,1]=4 314 B8R1.52 CCC1(CCCC1)N MCULE-6321282069 [1,0,0,0,0,0|1,0,1]=3 315 B8R1.52 CCC1(CCCC1)N MCULE-9310297702 [1,0,0,0,0,0|1,0,1]=3 316 B8R1.52 CCC1(CCCC1)O MCULE-2200843488 [1,0,0,0,0,0|2,0,1]=4 317 B8R1.52 CCC1(CCOC1)N MCULE-8793166698 [1,0,0,0,0,0|2,0,1]=4 318 B8R1.52 CCC1(CCOC1)N MCULE-9932095979 [1,0,0,0,0,0|2,0,1]=4 319 B8R1.52 CNC1(CCCC1)C MCULE-5523013258 [1,0,0,0,0,0|3,0,0]=4 320 B8R1.52 CNC1(CCCC1)C MCULE-5558514698 [1,0,0,0,0,0|3,0,0]=4 321 B8R1.52 C[C@@]1(CCCN1)CO MCULE-1770277535 [1,0,0,0,0,0|2,0,1]=4 322 B8R1.52 C[C@@]1(CCCN1)CO MCULE-2540626362 [1,0,0,0,0,0|2,0,1]=4 323 B8R1.52 C[C@@]1(CCCN1)CO MCULE-4264108295 [1,0,0,0,0,0|2,0,1]=4 324 B8R1.52 C[C@@]1(CCCN1)CO MCULE-8418846570 [1,0,0,0,0,0|2,0,1]=4 325 B8R1.52 C[C@@]1(CCNC1)CO MCULE-4028027381 [1,0,0,0,0,0|2,0,1]=4 326 B8R1.52 C[C@@]1(CCNC1)CO MCULE-5703640559 [1,0,0,0,0,0|2,0,1]=4 327 B8R1.52 C[C@@]1(CCOC1)CO MCULE-7732534995 [1,0,0,0,0,0|2,0,1]=4 328 B8R1.52 C[C@]1(CCCN1)CO MCULE-2761771924 [1,0,0,0,0,0|2,0,1]=4 329 B8R1.52 C[C@]1(CCCN1)CO MCULE-4095594473 [1,0,0,0,0,0|2,0,1]=4 330 B8R1.52 C[C@]1(CCCN1)CO MCULE-7014210855 [1,0,0,0,0,0|2,0,1]=4 331 B8R1.52 C[C@]1(CCCN1)CO MCULE-9276164161 [1,0,0,0,0,0|2,0,1]=4 332 B8R1.52 C[C@]1(CCNC1)CO MCULE-3181896367 [1,0,0,0,0,0|2,0,1]=4 333 B8R1.52 C[C@]1(CCNC1)CO MCULE-5981712550 [1,0,0,0,0,0|2,0,1]=4 334 B8R1.52 C[C@]1(CCOC1)CO MCULE-3142340099 [1,0,0,0,0,0|2,0,1]=4 335 B8R1.52 FC1(CCCC1)CBr MCULE-5544045757 [1,0,0,0,0,0|2,0,1]=4 336 B8R1.52 N#CC1(CCCC1)F MCULE-9519990946 [1,0,0,0,0,0|2,0,1]=4 337 B8R1.52 N#CC1(CCCC1)N MCULE-2771828085 [1,0,0,0,0,0|1,0,1]=3 338 B8R1.52 N#CC1(CCCC1)N MCULE-9817793665 [1,0,0,0,0,0|1,0,1]=3 339 B8R1.52 N#CC1(CCCC1)O MCULE-6757441617 [1,0,0,0,0,0|2,0,1]=4 340 B8R1.52 N#CC1(CCOC1)N MCULE-4041718541 [1,0,0,0,0,0|2,0,1]=4 341 B8R1.52 N#CC1(CCOC1)N MCULE-9011178291 [1,0,0,0,0,0|2,0,1]=4 342 B8R1.52 N#CC1(CCSC1)N MCULE-3523380904 [1,0,0,0,0,0|2,0,1]=4 343 B8R1.52 NC1(CC=CC1)CO MCULE-5106747123 [1,0,0,0,0,0|0,0,3]=4 344 B8R1.52 NC1(CC=CC1)CO MCULE-8638464155 [1,0,0,0,0,0|0,0,3]=4 345 B8R1.52 NC1(CCCC1)CO MCULE-6075612462 [1,0,0,0,0,0|0,0,1]=2 346 B8R1.52 NC1(CCCC1)CO MCULE-6080383421 [1,0,0,0,0,0|0,0,1]=2 347 B8R1.52 NC1(CCCC1)CO MCULE-9669923041 [1,0,0,0,0,0|0,0,1]=2 348 B8R1.52 NC1(CCNC1)CO MCULE-5174166000 [1,0,0,0,0,0|1,0,1]=3 349 B8R1.52 NC1(CCNC1)CO MCULE-7340627867 [1,0,0,0,0,0|1,0,1]=3 350 B8R1.52 NC1(CCOC1)CO MCULE-9666933944 [1,0,0,0,0,0|1,0,1]=3 351 B8R1.52 NC1(CCSC1)CO MCULE-2703002887 [1,0,0,0,0,0|1,0,1]=3 352 B8R1.52 NCC1(CCCC1)F MCULE-5401302824 [1,0,0,0,0,0|2,0,1]=4 353 B8R1.52 NCC1(CCCC1)F MCULE-7203857001 [1,0,0,0,0,0|2,0,1]=4 354 B8R1.52 NCC1(CCCC1)N MCULE-1134056027 [1,0,0,0,0,0|1,0,1]=3 355 B8R1.52 NCC1(CCCC1)N MCULE-5743820145 [1,0,0,0,0,0|1,0,1]=3 356 B8R1.52 NCC1(CCCC1)O MCULE-7890258140 [1,0,0,0,0,0|2,0,1]=4 357 B8R1.52 NCC1(CCCC1)O MCULE-7985204108 [1,0,0,0,0,0|2,0,1]=4 358 B8R1.52 N[C@]1(CCOC1)CO MCULE-4577771704 [1,0,0,0,0,0|1,0,1]=3 359 B8R1.52 O=CC1(CCCC1)F MCULE-6748021302 [1,0,0,0,0,0|1,0,0]=2 360 B8R1.52 OCC1(CCCC1)F MCULE-3500711576 [1,0,0,0,0,0|1,0,1]=3 361 B8R1.52 OCC1(CCCC1)O MCULE-2433996412 [1,0,0,0,0,0|1,0,1]=3 362 B8R1.52 OCC1(CCNC1)F MCULE-1926268666 [1,0,0,0,0,0|2,0,1]=4 363 B8R1.52 OCC1(CCNC1)F MCULE-9900094466 [1,0,0,0,0,0|2,0,1]=4 364 B8R1.52 OCC1(CCNC1)O MCULE-3674536626 [1,0,0,0,0,0|2,0,1]=4 365 B8R1.52 OCC1(CCNC1)O MCULE-5764281061 [1,0,0,0,0,0|2,0,1]=4 366 B8R1.52 OCC1(CCOC1)O MCULE-3033948661 [1,0,0,0,0,0|2,0,1]=4 367 B8R1.52 OCC1(CCSC1)O MCULE-1555119227 [1,0,0,0,0,0|2,0,1]=4 368 B8R1.52 OC[C@@]1(CCNC1)O MCULE-1108854673 [1,0,0,0,0,0|2,0,1]=4 369 B8R1.52 OC[C@@]1(CCNC1)O MCULE-3832592153 [1,0,0,0,0,0|2,0,1]=4 370 B10R1.291 CC1(CCNC1=O)C(=O)O MCULE-9843438328 [0,1,0,0,0,0|2,0,1]=4 371 B10R1.291 CC1CCCC1(C)C(=O)O MCULE-3149463709 [0,1,0,0,0,0|1,0,0]=2 372 B10R1.291 CC1OCCC1(C)C(=O)O MCULE-4774939870 [0,1,0,0,0,0|2,0,0]=3 373 B10R1.291 CN1CCCC1(C)C(=O)O MCULE-3073966944 [0,1,0,0,0,0|2,0,0]=3 374 B10R1.291 CN1CCC[C@@]1(C)C(=O)O MCULE-3527940712 [0,1,0,0,0,0|2,0,0]=3 375 B10R1.291 CN1CCC[C@]1(C)C(=O)O MCULE-2144267845 [0,1,0,0,0,0|2,0,0]=3 376 B10R1.291 C[C@]1(CCC[C@@H]1N)C(=O)O MCULE-2571628010 [0,1,0,0,0,0|1,0,0]=2 377 B10R1.291 C[C@]1(CCC[C@@H]1N)C(=O)O MCULE-3056122824 [0,1,0,0,0,0|1,0,0]=2 378 B10R1.291 C[C@]1(CCNC1=O)C(=O)O MCULE-8372001609 [0,1,0,0,0,0|2,0,1]=4 379 B10R1.304 CC(C)(O)C1(CCCC1)O MCULE-5027823483 [0,1,0,0,0,0|2,0,1]=4 380 B10R1.304 NC1(CCCC1)C(F)(F)F MCULE-1669663141 [0,1,0,0,0,0|2,0,1]=4 381 B10R1.304 NC1(CCCC1)C(F)(F)F MCULE-7366000184 [0,1,0,0,0,0|2,0,1]=4 382 B10R1.411 CC1(CCCC1)C(=O)CBr MCULE-6581201583 [0,1,0,0,0,0|2,0,0]=3 383 B10R1.411 CC1(CCCC1)C(=O)CN MCULE-1948371564 [0,1,0,0,0,0|2,0,0]=3 384 B10R1.411 CC1(CCCC1)C(=O)CN MCULE-2639621336 [0,1,0,0,0,0|2,0,0]=3 385 B10R1.411 CC1(CCCO1)C(=O)NN MCULE-1504743816 [0,1,0,0,0,0|3,0,0]=4 386 B10R1.411 CNC(=O)C1(CCCC1)N MCULE-2447147105 [0,1,0,0,0,0|1,0,0]=2 387 B10R1.411 CNC(=O)C1(CCCC1)N MCULE-7652154694 [0,1,0,0,0,0|1,0,0]=2 388 B10R1.411 CNC(=O)C1(CCCN1)C MCULE-3893347914 [0,1,0,0,0,0|3,0,0]=4 389 B10R1.411 CNC(=O)C1(CCNC1)C MCULE-3449863733 [0,1,0,0,0,0|3,0,0]=4 390 B10R1.411 COC(=O)C1(CCCC1)Br MCULE-1802250593 [0,1,0,0,0,0|1,0,0]=2 391 B10R1.411 COC(=O)C1(CCCC1)C MCULE-4994351302 [0,1,0,0,0,0|1,0,0]=2 392 B10R1.411 COC(=O)C1(CCCC1)N MCULE-3993384521 [0,1,0,0,0,0|0,0,0]=1 393 B10R1.411 COC(=O)C1(CCCC1)N MCULE-8708334020 [0,1,0,0,0,0|0,0,0]=1 394 B10R1.411 COC(=O)C1(CCCC1)O MCULE-9522544954 [0,1,0,0,0,0|1,0,0]=2 395 B10R1.411 COC(=O)C1(CCCN1)C MCULE-1235833333 [0,1,0,0,0,0|2,0,0]=3 396 B10R1.411 COC(=O)C1(CCCN1)C MCULE-1917107448 [0,1,0,0,0,0|2,0,0]=3 397 B10R1.411 COC(=O)C1(CCCN1)C MCULE-4824909317 [0,1,0,0,0,0|2,0,0]=3 398 B10R1.411 COC(=O)C1(CCCN1)C MCULE-5407267062 [0,1,0,0,0,0|2,0,0]=3 399 B10R1.411 COC(=O)C1(CCCO1)C MCULE-4521868101 [0,1,0,0,0,0|2,0,0]=3 400 B10R1.411 COC(=O)C1(CCNC1)C MCULE-4105754219 [0,1,0,0,0,0|2,0,0]=3 401 B10R1.411 COC(=O)C1(CCNC1)C MCULE-4306298231 [0,1,0,0,0,0|2,0,0]=3 402 B10R1.411 COC(=O)C1(CCNC1)F MCULE-2229999079 [0,1,0,0,0,0|2,0,0]=3 403 B10R1.411 COC(=O)C1(CCNC1)F MCULE-8737768541 [0,1,0,0,0,0|2,0,0]=3 404 B10R1.411 COC(=O)C1(CCNC1)O MCULE-7160148932 [0,1,0,0,0,0|2,0,0]=3 405 B10R1.411 COC(=O)C1(CCNC1)O MCULE-7492896118 [0,1,0,0,0,0|2,0,0]=3 406 B10R1.411 COC(=O)C1(CCOC1)Br MCULE-4656799312 [0,1,0,0,0,0|2,0,0]=3 407 B10R1.411 COC(=O)C1(CCOC1)C MCULE-7034406255 [0,1,0,0,0,0|2,0,0]=3 408 B10R1.411 COC(=O)C1(CCOC1)N MCULE-4987068291 [0,1,0,0,0,0|1,0,0]=2 409 B10R1.411 COC(=O)C1(CCOC1)N MCULE-5008801545 [0,1,0,0,0,0|1,0,0]=2 410 B10R1.411 COC(=O)C1(CCOC1)O MCULE-7161317009 [0,1,0,0,0,0|2,0,0]=3 411 B10R1.411 COC(=O)C1(CCSC1)N MCULE-8182082021 [0,1,0,0,0,0|1,0,0]=2 412 B10R1.411 COC(=O)C1(CCSC1)O MCULE-5872955354 [0,1,0,0,0,0|2,0,0]=3 413 B10R1.411 COC(=O)[C@@]1(CCCN1)C MCULE-1803197717 [0,1,0,0,0,0|2,0,0]=3 414 B10R1.411 COC(=O)[C@@]1(CCCN1)C MCULE-1860856931 [0,1,0,0,0,0|2,0,0]=3 415 B10R1.411 COC(=O)[C@@]1(CCCN1)C MCULE-4956112061 [0,1,0,0,0,0|2,0,0]=3 416 B10R1.411 COC(=O)[C@@]1(CCCN1)C MCULE-7224480255 [0,1,0,0,0,0|2,0,0]=3 417 B10R1.411 COC(=O)[C@@]1(CCCO1)C MCULE-2155246886 [0,1,0,0,0,0|2,0,0]=3 418 B10R1.411 COC(=O)[C@@]1(CCNC1)O MCULE-7062603831 [0,1,0,0,0,0|2,0,0]=3 419 B10R1.411 COC(=O)[C@@]1(CCNC1)O MCULE-8313559262 [0,1,0,0,0,0|2,0,0]=3 420 B10R1.411 COC(=O)[C@@]1(CCOC1)N MCULE-4369170451 [0,1,0,0,0,0|1,0,0]=2 421 B10R1.411 COC(=O)[C@@]1(CCOC1)N MCULE-8824303864 [0,1,0,0,0,0|1,0,0]=2 422 B10R1.411 COC(=O)[C@]1(CCCN1)C MCULE-3726141389 [0,1,0,0,0,0|2,0,0]=3 423 B10R1.411 COC(=O)[C@]1(CCCN1)C MCULE-4552843126 [0,1,0,0,0,0|2,0,0]=3 424 B10R1.411 COC(=O)[C@]1(CCCN1)C MCULE-5808087302 [0,1,0,0,0,0|2,0,0]=3 425 B10R1.411 COC(=O)[C@]1(CCCN1)C MCULE-8456176728 [0,1,0,0,0,0|2,0,0]=3 426 B10R1.411 COC(=O)[C@]1(CCOC1)C MCULE-3065794713 [0,1,0,0,0,0|2,0,0]=3 427 B10R1.411 N#CC(O)C1(CCCC1)F MCULE-9665363445 [0,1,0,0,0,0|2,0,1]=4 428 B10R1.470 CC1(CC(CN1)O)C(=O)O MCULE-1962390815 [0,1,0,0,0,0|2,0,0]=3 429 B10R1.470 CC1(CC(CN1)O)C(=O)O MCULE-3381499671 [0,1,0,0,0,0|2,0,0]=3 430 B10R1.470 CC1(CCC(=O)C1)C(=O)O MCULE-8301527257 [0,1,0,0,0,0|1,0,1]=3 431 B10R1.470 CC1(CCC(=O)N1)C(=O)O MCULE-6271364258 [0,1,0,0,0,0|2,0,1]=4 432 B10R1.470 CC1(CCC(=O)O1)C(=O)O MCULE-2009596037 [0,1,0,0,0,0|2,0,1]=4 433 B10R1.470 CC1(CCC(C1)N)C(=O)O MCULE-5009717504 [0,1,0,0,0,0|1,0,0]=2 434 B10R1.470 CC1(CCC(C1)N)C(=O)O MCULE-6646895058 [0,1,0,0,0,0|1,0,0]=2 435 B10R1.470 CC1(CNC(=O)C1)C(=O)O MCULE-2188595466 [0,1,0,0,0,0|2,0,1]=4 436 B10R1.470 CC1CCC(C1)(C)C(=O)O MCULE-3638409630 [0,1,0,0,0,0|1,0,0]=2 437 B10R1.470 CN1CCC(C1)(C)C(=O)O MCULE-3111826192 [0,1,0,0,0,0|2,0,0]=3 438 B10R1.470 CN1CCC(C1)(F)C(=O)O MCULE-3877912842 [0,1,0,0,0,0|2,0,0]=3 439 B10R1.470 C[C@@]1(CCC(=O)N1)C(=O)O MCULE-6399167225 [0,1,0,0,0,0|2,0,1]=4 440 B10R1.470 C[C@@]1(CCC(=O)N1)C(=O)O MCULE-7144294782 [0,1,0,0,0,0|2,0,1]=4 441 B10R1.470 C[C@]1(CCC(=O)N1)C(=O)O MCULE-6153592913 [0,1,0,0,0,0|2,0,1]=4 442 B10R1.470 C[C@]1(CCC(=O)N1)C(=O)O MCULE-6971506580 [0,1,0,0,0,0|2,0,1]=4 443 B10R1.470 NC1CCC(C1)(F)C(=O)O MCULE-1564321784 [0,1,0,0,0,0|1,0,0]=2 444 B10R1.470 NC1CCC(C1)(F)C(=O)O MCULE-3542104690 [0,1,0,0,0,0|1,0,0]=2 445 B10R1.477 C#CC1(CCCC1)C(=O)O MCULE-5542543621 [0,1,0,0,0,0|1,0,0]=2 446 B10R1.477 CCC1(CCCC1)C(=O)O MCULE-5656602965 [0,1,0,0,0,0|1,0,0]=2 447 B10R1.477 CCC1(CCCN1)C(=O)O MCULE-3641915361 [0,1,0,0,0,0|2,0,0]=3 448 B10R1.477 CCC1(CCCN1)C(=O)O MCULE-4597310469 [0,1,0,0,0,0|2,0,0]=3 449 B10R1.477 CCC1(CCCN1)C(=O)O MCULE-5699616237 [0,1,0,0,0,0|2,0,0]=3 450 B10R1.477 CCC1(CCCN1)C(=O)O MCULE-9288027580 [0,1,0,0,0,0|2,0,0]=3 451 B10R1.477 CC[C@@]1(CCCN1)C(=O)O MCULE-1110693309 [0,1,0,0,0,0|2,0,0]=3 452 B10R1.477 CC[C@@]1(CCCN1)C(=O)O MCULE-3125780437 [0,1,0,0,0,0|2,0,0]=3 453 B10R1.477 CC[C@@]1(CCCN1)C(=O)O MCULE-3747201084 [0,1,0,0,0,0|2,0,0]=3 454 B10R1.477 CC[C@@]1(CCCN1)C(=O)O MCULE-4962257347 [0,1,0,0,0,0|2,0,0]=3 455 B10R1.477 CC[C@]1(CCCN1)C(=O)O MCULE-3237722025 [0,1,0,0,0,0|2,0,0]=3 456 B10R1.477 CC[C@]1(CCCN1)C(=O)O MCULE-4656804455 [0,1,0,0,0,0|2,0,0]=3 457 B10R1.477 CC[C@]1(CCCN1)C(=O)O MCULE-7911479004 [0,1,0,0,0,0|2,0,0]=3 458 B10R1.477 CC[C@]1(CCCN1)C(=O)O MCULE-8941344909 [0,1,0,0,0,0|2,0,0]=3 459 B10R1.477 CN(C)C1(CCCC1)CN MCULE-4675480222 [0,1,0,0,0,0|3,0,0]=4 460 B10R1.477 CN(C)C1(CCCC1)CN MCULE-4682318771 [0,1,0,0,0,0|3,0,0]=4 461 B10R1.477 CNC1(CCCC1)C(=O)N MCULE-8303519887 [0,1,0,0,0,0|1,0,0]=2 462 B10R1.477 CNC1(CCCC1)C(=O)O MCULE-1767562494 [0,1,0,0,0,0|0,0,0]=1 463 B10R1.477 CNC1(CCCC1)C(=O)O MCULE-7365959763 [0,1,0,0,0,0|0,0,0]=1 464 B10R1.477 CNC1(CCOC1)C(=O)O MCULE-7971278840 [0,1,0,0,0,0|1,0,0]=2 465 B10R1.477 CNC1(CCSC1)C(=O)N MCULE-3173742173 [0,1,0,0,0,0|2,0,0]=3 466 B10R1.477 CNC1(CCSC1)C(=O)O MCULE-1204206450 [0,1,0,0,0,0|1,0,0]=2 467 B10R1.477 COC1(CCCC1)C(=O)C MCULE-8752650901 [0,1,0,0,0,0|2,0,0]=3 468 B10R1.477 COC1(CCCC1)C(=O)Cl MCULE-6593147343 [0,1,0,0,0,0|2,0,0]=3 469 B10R1.477 COC1(CCCC1)C(=O)O MCULE-1739308870 [0,1,0,0,0,0|1,0,0]=2 470 B10R1.477 COC1(CCNC1)C(=O)O MCULE-7327143800 [0,1,0,0,0,0|2,0,0]=3 471 B10R1.477 COC1(CCNC1)C(=O)O MCULE-9120807147 [0,1,0,0,0,0|2,0,0]=3 472 B10R1.477 COC1(CCOC1)C(=O)O MCULE-5931705357 [0,1,0,0,0,0|2,0,0]=3 473 B10R1.477 COC1(CCSC1)C(=O)O MCULE-4950827658 [0,1,0,0,0,0|2,0,0]=3 474 B10R1.477 N#CC1(CC=CC1)C(=O)O MCULE-5150513471 [0,1,0,0,0,0|0,0,3]=4 475 B10R1.477 N#CC1(CCCC1)C(=O)O MCULE-1638254148 [0,1,0,0,0,0|0,0,1]=2 476 B10R1.477 N#CC1(CCOC1)C(=O)O MCULE-4615848690 [0,1,0,0,0,0|1,0,1]=3 477 B10R1.477 NCC1(CCCC1)C(=O)N MCULE-7074465709 [0,1,0,0,0,0|1,0,0]=2 478 B10R1.477 NCC1(CCCC1)C(=O)O MCULE-2746708245 [0,1,0,0,0,0|0,0,0]=1 479 B10R1.477 NCC1(CCCC1)C(=O)O MCULE-4666634845 [0,1,0,0,0,0|0,0,0]=1 480 B10R1.477 O=C(O)C1(CCCC1)CO MCULE-7987056998 [0,1,0,0,0,0|1,0,0]=2 481 B10R1.477 O=C(O)C1(CCCO1)CO MCULE-7539008546 [0,1,0,0,0,0|2,0,0]=3 482 B8R0.8 C#CCCC(N)C(=O)O MCULE-2306841483 [0,0,1,0,0,0|0,0,2]=3 483 B8R0.8 C#CCCC(O)C(=O)O MCULE-1983462487 [0,0,1,0,0,0|1,0,2]=4 484 B8R0.8 C#CCC[C@@H](N)C(=O)O MCULE-3328230047 [0,0,1,0,0,0|0,0,2]=3 485 B8R0.8 C#CCC[C@@H](N)C(=O)O MCULE-8588363102 [0,0,1,0,0,0|0,0,2]=3 486 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-3269292516 [0,0,1,0,0,0|0,0,2]=3 487 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-6769399323 [0,0,1,0,0,0|0,0,2]=3 488 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-6930343823 [0,0,1,0,0,0|0,0,2]=3 489 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-9522590396 [0,0,1,0,0,0|0,0,2]=3 490 B8R0.8 C(N)(CCCC)C(=O)N MCULE-1406613793 [0,0,1,0,0,0|1,0,0]=2 491 B8R0.8 C(N)(CCCC)C(=O)N MCULE-4692008742 [0,0,1,0,0,0|1,0,0]=2 492 B8R0.8 C=CCCC(C)C(=O)O MCULE-3089071984 [0,0,1,0,0,0|1,0,2]=4 493 B8R0.8 C=CCCC(N)C(=O)N MCULE-3025865201 [0,0,1,0,0,0|1,0,2]=4 494 B8R0.8 C=CCCC(N)C(=O)N MCULE-6477490851 [0,0,1,0,0,0|1,0,2]=4 495 B8R0.8 C=CCCC(N)C(=O)O MCULE-1524160350 [0,0,1,0,0,0|0,0,2]=3 496 B8R0.8 C=CCCC(N)C(=O)O MCULE-5522822192 [0,0,1,0,0,0|0,0,2]=3 497 B8R0.8 C=CCCC(N)C(=O)O MCULE-7998584890 [0,0,1,0,0,0|0,0,2]=3 498 B8R0.8 C=CCC[C@@H](N)C(=O)O MCULE-4571532321 [0,0,1,0,0,0|0,0,2]=3 499 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-2235047291 [0,0,1,0,0,0|0,0,2]=3 500 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-4644458098 [0,0,1,0,0,0|0,0,2]=3 501 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-7821274952 [0,0,1,0,0,0|0,0,2]=3 502 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-9807212949 [0,0,1,0,0,0|0,0,2]=3 503 B8R0.8 CC#CCC(N)C(=O)O MCULE-2943446929 [0,0,1,0,0,0|0,0,2]=3 504 B8R0.8 CC#CCC(N)C(=O)O MCULE-8126081664 [0,0,1,0,0,0|0,0,2]=3 505 B8R0.8 CC#CC[C@@H](N)C(=O)O MCULE-5156383275 [0,0,1,0,0,0|0,0,2]=3 506 B8R0.8 CC#CC[C@H](N)C(=O)O MCULE-4618959735 [0,0,1,0,0,0|0,0,2]=3 507 B8R0.8 CC#CC[C@H](N)C(=O)O MCULE-7818390064 [0,0,1,0,0,0|0,0,2]=3 508 B8R0.8 CC(CCCCl)C(=O)O MCULE-6504631587 [0,0,1,0,0,0|2,0,0]=3 509 B8R0.8 CC(OCCN)C(=O)O MCULE-4117277894 [0,0,1,0,0,0|3,0,0]=4 510 B8R0.8 CC(OCCN)C(=O)O MCULE-6407651037 [0,0,1,0,0,0|3,0,0]=4 511 B8R0.8 CC(OCCO)C(=O)O MCULE-4305620136 [0,0,1,0,0,0|3,0,0]=4 512 B8R0.8 CCC/C=C(\C)/C(=O)O MCULE-4080682767 [0,0,1,0,0,0|1,0,2]=4 513 B8R0.8 CCCC=C(C)C(=O)O MCULE-1072900673 [0,0,1,0,0,0|1,0,2]=4 514 B8R0.8 CCCCC(=O)C(=O)C MCULE-5957201570 [0,0,1,0,0,0|2,0,1]=4 515 B8R0.8 CCCCC(=O)C(=O)O MCULE-7796922508 [0,0,1,0,0,0|1,0,1]=3 516 B8R0.8 CCCCC(=O)C(=O)[O-] MCULE-4575533706 [0,0,1,0,0,0|1,0,2]=4 517 B8R0.8 CCCCC(Br)C(=O)N MCULE-9831415558 [0,0,1,0,0,0|2,0,0]=3 518 B8R0.8 CCCCC(Br)C(=O)O MCULE-5428502537 [0,0,1,0,0,0|1,0,0]=2 519 B8R0.8 CCCCC(C)C(=O)C MCULE-2303839464 [0,0,1,0,0,0|2,0,0]=3 520 B8R0.8 CCCCC(C)C(=O)Cl MCULE-1718383314 [0,0,1,0,0,0|2,0,0]=3 521 B8R0.8 CCCCC(C)C(=O)N MCULE-6062124512 [0,0,1,0,0,0|2,0,0]=3 522 B8R0.8 CCCCC(C)C(=O)O MCULE-7933263354 [0,0,1,0,0,0|1,0,0]=2 523 B8R0.8 CCCCC(C)C(C)O MCULE-2881990446 [0,0,1,0,0,0|2,0,1]=4 524 B8R0.8 CCCCC(F)C(=O)O MCULE-2276381656 [0,0,1,0,0,0|1,0,0]=2 525 B8R0.8 CCCCC(N)C(=O)C MCULE-2471947344 [0,0,1,0,0,0|1,0,0]=2 526 B8R0.8 CCCCC(N)C(=O)C MCULE-4947552776 [0,0,1,0,0,0|1,0,0]=2 527 B8R0.8 CCCCC(N)C(=O)O MCULE-4930484202 [0,0,1,0,0,0|0,0,0]=1 528 B8R0.8 CCCCC(N)C(C)O MCULE-3645367149 [0,0,1,0,0,0|1,0,1]=3 529 B8R0.8 CCCCC(N)C(C)O MCULE-4512291097 [0,0,1,0,0,0|1,0,1]=3 530 B8R0.8 CCCCC(O)C(=O)N MCULE-1063256537 [0,0,1,0,0,0|2,0,0]=3 531 B8R0.8 CCCCC(O)C(=O)O MCULE-2557585903 [0,0,1,0,0,0|1,0,0]=2 532 B8R0.8 CCCCN(C)C(=O)Cl MCULE-6884962631 [0,0,1,0,0,0|3,0,0]=4 533 B8R0.8 CCCC[C@@H](C)C(=O)O MCULE-3454696473 [0,0,1,0,0,0|1,0,0]=2 534 B8R0.8 CCCC[C@@H](N)C(=O)O MCULE-3687527484 [0,0,1,0,0,0|0,0,0]=1 535 B8R0.8 CCCC[C@@H](N)C(=O)O MCULE-9410581572 [0,0,1,0,0,0|0,0,0]=1 536 B8R0.8 CCCC[C@H](C)C(=O)O MCULE-9016844851 [0,0,1,0,0,0|1,0,0]=2 537 B8R0.8 CCCC[C@H](C)C(=O)O MCULE-9437190196 [0,0,1,0,0,0|1,0,0]=2 538 B8R0.8 CCCC[C@H](N)C(=O)N MCULE-1555661156 [0,0,1,0,0,0|1,0,0]=2 539 B8R0.8 CCCC[C@H](N)C(=O)N MCULE-9202467107 [0,0,1,0,0,0|1,0,0]=2 540 B8R0.8 CCCC[C@H](N)C(=O)N MCULE-9573872199 [0,0,1,0,0,0|1,0,0]=2 541 B8R0.8 CCCC[C@H](N)C(=O)N MCULE-9773159994 [0,0,1,0,0,0|1,0,0]=2 542 B8R0.8 CCCC[C@H](N)C(=O)O MCULE-3656145338 [0,0,1,0,0,0|0,0,0]=1 543 B8R0.8 CCCC[C@H](N)C(=O)O MCULE-7427914532 [0,0,1,0,0,0|0,0,0]=1 544 B8R0.8 CCCNC(=O)C(=O)O MCULE-6074987864 [0,0,1,0,0,0|2,0,1]=4 545 B8R0.8 CCCOC(C)C(=O)O MCULE-4477829415 [0,0,1,0,0,0|2,0,0]=3 546 B8R0.8 CCNCC(C)C(=O)O MCULE-3863191122 [0,0,1,0,0,0|2,0,0]=3 547 B8R0.8 CCNCC(C)C(=O)O MCULE-4164323563 [0,0,1,0,0,0|2,0,0]=3 548 B8R0.8 CCOCC(C)C(=O)O MCULE-5346959026 [0,0,1,0,0,0|2,0,0]=3 549 B8R0.8 CCOC[C@@H](N)C(=O)O MCULE-9199053225 [0,0,1,0,0,0|1,0,0]=2 550 B8R0.8 CCOC[C@@H](N)C(=O)O MCULE-9684903914 [0,0,1,0,0,0|1,0,0]=2 551 B8R0.8 CCOC[C@H](N)C(=O)O MCULE-6351196285 [0,0,1,0,0,0|1,0,0]=2 552 B8R0.8 CCOC[C@H](N)C(=O)O MCULE-7653589662 [0,0,1,0,0,0|1,0,0]=2 553 B8R0.8 CCSCC(N)C(=O)O MCULE-9449250733 [0,0,1,0,0,0|1,0,0]=2 554 B8R0.8 COCCC(C)C(=O)O MCULE-5066180613 [0,0,1,0,0,0|2,0,0]=3 555 B8R0.8 COCCC(N)C(=O)N MCULE-4212561129 [0,0,1,0,0,0|2,0,0]=3 556 B8R0.8 COCCC(N)C(=O)N MCULE-5370323024 [0,0,1,0,0,0|2,0,0]=3 557 B8R0.8 COCCC(N)C(=O)O MCULE-3018605108 [0,0,1,0,0,0|1,0,0]=2 558 B8R0.8 COCC[C@H](N)C(=O)O MCULE-6748608543 [0,0,1,0,0,0|1,0,0]=2 559 B8R0.8 COCC[C@H](N)C(=O)O MCULE-8586358852 [0,0,1,0,0,0|1,0,0]=2 560 B8R0.8 CSCCC(=O)C(=O)O MCULE-6752350933 [0,0,1,0,0,0|2,0,1]=4 561 B8R0.8 CSCCC(N)C(=O)N MCULE-8379409756 [0,0,1,0,0,0|2,0,0]=3 562 B8R0.8 CSCCC(N)C(=O)N MCULE-9130755274 [0,0,1,0,0,0|2,0,0]=3 563 B8R0.8 CSCCC(N)C(=O)N MCULE-9536539093 [0,0,1,0,0,0|2,0,0]=3 564 B8R0.8 CSCCC(N)C(=O)N MCULE-9630072876 [0,0,1,0,0,0|2,0,0]=3 565 B8R0.8 CSCCC(N)C(=O)O MCULE-5626142345 [0,0,1,0,0,0|1,0,0]=2 566 B8R0.8 CSCCC(O)C(=O)N MCULE-9019971815 [0,0,1,0,0,0|3,0,0]=4 567 B8R0.8 CSCCC(O)C(=O)O MCULE-3684026487 [0,0,1,0,0,0|2,0,0]=3 568 B8R0.8 CSCC[C@@H](N)C(=O)O MCULE-2209985195 [0,0,1,0,0,0|1,0,0]=2 569 B8R0.8 CSCC[C@@H](N)C(=O)O MCULE-9944164883 [0,0,1,0,0,0|1,0,0]=2 570 B8R0.8 CSCC[C@@H](N)C(=O)[O-] MCULE-2405585602 [0,0,1,0,0,0|1,0,1]=3 571 B8R0.8 CSCC[C@@H](N)C(=O)[O-] MCULE-6869616866 [0,0,1,0,0,0|1,0,1]=3 572 B8R0.8 CSCC[C@H](N)C(=O)N MCULE-1318828477 [0,0,1,0,0,0|2,0,0]=3 573 B8R0.8 CSCC[C@H](N)C(=O)N MCULE-2645914311 [0,0,1,0,0,0|2,0,0]=3 574 B8R0.8 CSCC[C@H](N)C(=O)N MCULE-4676970409 [0,0,1,0,0,0|2,0,0]=3 575 B8R0.8 CSCC[C@H](N)C(=O)N MCULE-6619857551 [0,0,1,0,0,0|2,0,0]=3 576 B8R0.8 CSCC[C@H](N)C(=O)O MCULE-3383932641 [0,0,1,0,0,0|1,0,0]=2 577 B8R0.8 CSCC[C@H](N)C(=O)O MCULE-4603455639 [0,0,1,0,0,0|1,0,0]=2 578 B8R0.8 CSCC[C@H](N)C(=O)O MCULE-7228063662 [0,0,1,0,0,0|1,0,0]=2 579 B8R0.8 C[Se]CCC(N)C(=O)O MCULE-9212969564 [0,0,1,0,0,0|1,0,0]=2 580 B8R0.8 C[Se]CC[C@H](N)C(=O)O MCULE-5333020269 [0,0,1,0,0,0|1,0,0]=2 581 B8R0.8 C[Se]CC[C@H](N)C(=O)O MCULE-5980340572 [0,0,1,0,0,0|1,0,0]=2 582 B8R0.8 NC(CCCO)C(=O)O MCULE-5421732564 [0,0,1,0,0,0|1,0,0]=2 583 B8R0.8 NCCCC(N)C(=O)O MCULE-1970642620 [0,0,1,0,0,0|1,0,0]=2 584 B8R0.8 NCCCC(N)C(=O)O MCULE-4486209373 [0,0,1,0,0,0|1,0,0]=2 585 B8R0.8 NCCCC(N)C(=O)O MCULE-8193724048 [0,0,1,0,0,0|1,0,0]=2 586 B8R0.8 NCCCC(N)C(=O)O MCULE-9223414094 [0,0,1,0,0,0|1,0,0]=2 587 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-1634156072 [0,0,1,0,0,0|1,0,0]=2 588 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-2602820298 [0,0,1,0,0,0|1,0,0]=2 589 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-2719848774 [0,0,1,0,0,0|1,0,0]=2 590 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-8413545449 [0,0,1,0,0,0|1,0,0]=2 591 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-2588005079 [0,0,1,0,0,0|1,0,0]=2 592 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-2852667696 [0,0,1,0,0,0|1,0,0]=2 593 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-3029872280 [0,0,1,0,0,0|1,0,0]=2 594 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-4242810787 [0,0,1,0,0,0|1,0,0]=2 595 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-6924538097 [0,0,1,0,0,0|1,0,0]=2 596 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-8642266626 [0,0,1,0,0,0|1,0,0]=2 597 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-9352931710 [0,0,1,0,0,0|1,0,0]=2 598 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-9532999202 [0,0,1,0,0,0|1,0,0]=2 599 B8R0.8 NOCCC(N)C(=O)O MCULE-1540658941 [0,0,1,0,0,0|2,0,0]=3 600 B8R0.8 NOCCC(N)C(=O)O MCULE-3729513992 [0,0,1,0,0,0|2,0,0]=3 601 B8R0.8 NOCC[C@@H](N)C(=O)O MCULE-3273727827 [0,0,1,0,0,0|2,0,0]=3 602 B8R0.8 NOCC[C@H](N)C(=O)O MCULE-2315172974 [0,0,1,0,0,0|2,0,0]=3 603 B8R0.8 N[C@@H](CCCO)C(=O)O MCULE-3220645027 [0,0,1,0,0,0|1,0,0]=2 604 B8R0.8 N[C@@H](CCCO)C(=O)O MCULE-4608316868 [0,0,1,0,0,0|1,0,0]=2 605 B8R0.8 O=C(O)C(O)CCCO MCULE-9386031706 [0,0,1,0,0,0|2,0,0]=3 606 B8R0.8 O=C([O-])C(O)CCCO MCULE-5137868319 [0,0,1,0,0,0|2,0,1]=4 607 B8R0.8 [C@@H](N)(CCC=C)C(=O)O MCULE-9648209291 [0,0,1,0,0,0|0,0,2]=3 608 B8R0.8 [C@H](N)(CCON)C(=O)O MCULE-1309966773 [0,0,1,0,0,0|2,0,0]=3 609 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O MCULE-4562460888 [0,0,1,0,0,0|3,0,0]=4 610 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O MCULE-4736712462 [0,0,1,0,0,0|3,0,0]=4 611 B8R0.8 [N-]=[N+]=NC[C@@H](N)C(=O)O MCULE-6764345986 [0,0,1,0,0,0|3,0,0]=4 612 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O MCULE-1901194070 [0,0,1,0,0,0|3,0,0]=4 613 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O MCULE-2129950967 [0,0,1,0,0,0|3,0,0]=4 614 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O MCULE-4531641107 [0,0,1,0,0,0|3,0,0]=4 615 B8R0.8 [N-]=[N+]=NC[C@H](N)C(=O)O MCULE-9554569949 [0,0,1,0,0,0|3,0,0]=4 616 B8R0.12 C#CCC(C)(C)C(=O)O MCULE-9823304703 [0,0,1,0,0,0|1,0,2]=4 617 B8R0.12 C#CCC(C)(N)C(=O)O MCULE-8114982544 [0,0,1,0,0,0|0,0,2]=3 618 B8R0.12 C#CC[C@@](C)(N)C(=O)O MCULE-2326062849 [0,0,1,0,0,0|0,0,2]=3 619 B8R0.12 C#CC[C@@](C)(N)C(=O)O MCULE-2897598223 [0,0,1,0,0,0|0,0,2]=3 620 B8R0.12 C#CC[C@@](C)(N)C(=O)O MCULE-6332359697 [0,0,1,0,0,0|0,0,2]=3 621 B8R0.12 C#CC[C@@](C)(N)C(=O)O MCULE-9265618717 [0,0,1,0,0,0|0,0,2]=3 622 B8R0.12 C#CC[C@](C)(N)C(=O)O MCULE-2976528694 [0,0,1,0,0,0|0,0,2]=3 623 B8R0.12 C#CC[C@](C)(N)C(=O)O MCULE-7418052843 [0,0,1,0,0,0|0,0,2]=3 624 B8R0.12 C=CCC(C)(C)C(=O)O MCULE-7428318853 [0,0,1,0,0,0|1,0,2]=4 625 B8R0.12 C=CCC(C)(N)C(=O)O MCULE-7144199889 [0,0,1,0,0,0|0,0,2]=3 626 B8R0.12 C=CC[C@@](C)(N)C(=O)O MCULE-4753726738 [0,0,1,0,0,0|0,0,2]=3 627 B8R0.12 C=CC[C@@](C)(N)C(=O)O MCULE-8270551752 [0,0,1,0,0,0|0,0,2]=3 628 B8R0.12 C=CC[C@](C)(N)C(=O)O MCULE-2471413685 [0,0,1,0,0,0|0,0,2]=3 629 B8R0.12 C=CC[C@](C)(N)C(=O)O MCULE-5595289174 [0,0,1,0,0,0|0,0,2]=3 630 B8R0.12 CC(C)(CC#N)C(=O)O MCULE-5490055179 [0,0,1,0,0,0|2,0,1]=4 631 B8R0.12 CC(C)(CCCl)C(=O)Cl MCULE-2654588224 [0,0,1,0,0,0|3,0,0]=4 632 B8R0.12 CC(C)(CCN)C(=O)O MCULE-2948071531 [0,0,1,0,0,0|2,0,0]=3 633 B8R0.12 CC(C)(CCN)C(=O)O MCULE-9113980340 [0,0,1,0,0,0|2,0,0]=3 634 B8R0.12 CC(C)(CCO)C(=O)O MCULE-1566648548 [0,0,1,0,0,0|2,0,0]=3 635 B8R0.12 CC(C)(CCO)C(=O)[O-] MCULE-5034791567 [0,0,1,0,0,0|2,0,1]=4 636 B8R0.12 CC(N)(CCF)C(=O)O MCULE-5797177130 [0,0,1,0,0,0|1,0,0]=2 637 B8R0.12 CC(N)(CCF)C(=O)O MCULE-9911119608 [0,0,1,0,0,0|1,0,0]=2 638 B8R0.12 CCCC(C)(C)C(=O)C MCULE-3472590451 [0,0,1,0,0,0|2,0,0]=3 639 B8R0.12 CCCC(C)(C)C(=O)Cl MCULE-1035499713 [0,0,1,0,0,0|2,0,0]=3 640 B8R0.12 CCCC(C)(C)C(=O)O MCULE-7950118630 [0,0,1,0,0,0|1,0,0]=2 641 B8R0.12 CCCC(C)(N)C(=O)O MCULE-3079931045 [0,0,1,0,0,0|0,0,0]=1 642 B8R0.12 CCCC(C)(O)C(=O)N MCULE-5398805490 [0,0,1,0,0,0|2,0,0]=3 643 B8R0.12 CCCC(C)(O)C(=O)O MCULE-5292180056 [0,0,1,0,0,0|1,0,0]=2 644 B8R0.12 CCCC(F)(F)C(=O)O MCULE-9926038462 [0,0,1,0,0,0|2,0,0]=3 645 B8R0.12 CCC[C@](C)(N)C(=O)O MCULE-8569302783 [0,0,1,0,0,0|0,0,0]=1 646 B8R0.12 CCNC(C)(C)C(=O)N MCULE-9687659825 [0,0,1,0,0,0|3,0,0]=4 647 B8R0.12 CCNC(C)(C)C(=O)O MCULE-5196592202 [0,0,1,0,0,0|2,0,0]=3 648 B8R0.12 CCNC(C)(C)C(=O)O MCULE-7185239447 [0,0,1,0,0,0|2,0,0]=3 649 B8R0.12 CCOC(C)(C)C(=O)N MCULE-6728122742 [0,0,1,0,0,0|3,0,0]=4 650 B8R0.12 CCOC(C)(C)C(=O)O MCULE-7344066576 [0,0,1,0,0,0|2,0,0]=3 651 B8R0.12 CNCC(C)(C)C(=O)O MCULE-1701621773 [0,0,1,0,0,0|2,0,0]=3 652 B8R0.12 CNCC(C)(C)C(=O)O MCULE-7669976515 [0,0,1,0,0,0|2,0,0]=3 653 B8R0.12 CNCC(F)(F)C(=O)O MCULE-3707622806 [0,0,1,0,0,0|3,0,0]=4 654 B8R0.12 CNCC(F)(F)C(=O)O MCULE-4421374171 [0,0,1,0,0,0|3,0,0]=4 655 B8R0.12 COCC(C)(C)C(=O)O MCULE-9074673500 [0,0,1,0,0,0|2,0,0]=3 656 B8R0.12 COCC(C)(N)C(=O)N MCULE-3533018780 [0,0,1,0,0,0|2,0,0]=3 657 B8R0.12 COCC(C)(N)C(=O)N MCULE-9747751712 [0,0,1,0,0,0|2,0,0]=3 658 B8R0.12 COCC(C)(O)C(=O)O MCULE-7674892239 [0,0,1,0,0,0|2,0,0]=3 659 B8R0.12 COCC(F)(F)C(=O)O MCULE-6981513055 [0,0,1,0,0,0|3,0,0]=4 660 B8R0.12 CSCC(C)(C)C(=O)O MCULE-8010872211 [0,0,1,0,0,0|2,0,0]=3 661 B8R0.12 NCCC(F)(F)C(=O)O MCULE-3814517866 [0,0,1,0,0,0|3,0,0]=4 662 B8R0.36 C=CC(C)(CC)C(=O)O MCULE-9807737236 [0,0,1,0,0,0|1,0,2]=4 663 B8R0.36 C=CC(N)(CO)C(=O)O MCULE-8811599430 [0,0,1,0,0,0|1,0,2]=4 664 B8R0.36 CC(CCl)(CCl)C(=O)O MCULE-2585521435 [0,0,1,0,0,0|3,0,0]=4 665 B8R0.36 CC(CF)(CF)C(=O)O MCULE-6853615208 [0,0,1,0,0,0|3,0,0]=4 666 B8R0.36 CC(CO)(CO)C(=O)O MCULE-5702110239 [0,0,1,0,0,0|3,0,0]=4 667 B8R0.36 CCC(Br)(CC)C(=O)O MCULE-6441337805 [0,0,1,0,0,0|1,0,0]=2 668 B8R0.36 CCC(C)(C#N)C(=O)O MCULE-5558018145 [0,0,1,0,0,0|2,0,1]=4 669 B8R0.36 CCC(C)(CC)C(=O)C MCULE-2334513479 [0,0,1,0,0,0|2,0,0]=3 670 B8R0.36 CCC(C)(CC)C(=O)Cl MCULE-4125691098 [0,0,1,0,0,0|2,0,0]=3 671 B8R0.36 CCC(C)(CC)C(=O)O MCULE-1997463075 [0,0,1,0,0,0|1,0,0]=2 672 B8R0.36 CCC(C)(CO)C(=O)O MCULE-7481967307 [0,0,1,0,0,0|2,0,0]=3 673 B8R0.36 CCC(C)(OC)C(=O)O MCULE-9916724590 [0,0,1,0,0,0|2,0,0]=3 674 B8R0.36 CCC(F)(CC)C(=O)O MCULE-9436369621 [0,0,1,0,0,0|1,0,0]=2 675 B8R0.36 CCC(N)(CC)C(=O)N MCULE-4886059492 [0,0,1,0,0,0|1,0,0]=2 676 B8R0.36 CCC(N)(CC)C(=O)N MCULE-8377450478 [0,0,1,0,0,0|1,0,0]=2 677 B8R0.36 CCC(N)(CC)C(=O)O MCULE-9609626868 [0,0,1,0,0,0|0,0,0]=1 678 B8R0.36 CCC(N)(CC)C(=O)O MCULE-9646246236 [0,0,1,0,0,0|0,0,0]=1 679 B8R0.36 CCC(O)(CC)C(=O)C MCULE-8377775342 [0,0,1,0,0,0|2,0,0]=3 680 B8R0.36 CCC(O)(CC)C(=O)O MCULE-9621851149 [0,0,1,0,0,0|1,0,0]=2 681 B10R2.3 O=C1CCC12CCCC2 MCULE-3635781660 [0,0,0,1,0,0|2,0,0]=3 682 B10R2.3 O=C1CCC12CCCO2 MCULE-2259333653 [0,0,0,1,0,0|3,0,0]=4 683 B10R2.3 O=C1CCC12CCNC2 MCULE-1489303678 [0,0,0,1,0,0|3,0,0]=4 684 B10R2.3 O=C1CCC12CCNC2 MCULE-8257673151 [0,0,0,1,0,0|3,0,0]=4 685 B10R2.3 O=C1CCC12CCOC2 MCULE-7927744128 [0,0,0,1,0,0|3,0,0]=4 686 B10R2.3 O=C1COC12CCCC2 MCULE-2720364777 [0,0,0,1,0,0|2,0,0]=3 687 B10R2.3 O=C1NCC12CCCC2 MCULE-1319211994 [0,0,0,1,0,0|2,0,0]=3 688 B10R2.3 OC1CCC12CCCC2 MCULE-4815915911 [0,0,0,1,0,0|2,0,1]=4 689 B10R2.19 NC12CCC(C1)CC2=O MCULE-5076988928 [0,0,0,1,0,0|1,0,0]=2 690 B10R2.19 NC12CCC(C1)CC2=O MCULE-6116588211 [0,0,0,1,0,0|1,0,0]=2 691 B10R2.248 OC1(CCCC1)C2CO2 MCULE-4579445747 [0,0,0,1,0,0|2,0,1]=4 692 B10R2.344 O=C(O)C12CC1CCN2 MCULE-8958769379 [0,0,0,1,0,0|2,0,0]=3 693 B10R2.344 O=C(O)C12CC1CCN2 MCULE-9918894627 [0,0,0,1,0,0|2,0,0]=3 694 B10R2.344 O=C(O)C12CCCC1C2 MCULE-1433395114 [0,0,0,1,0,0|1,0,0]=2 695 B10R2.344 O=C(O)C12CCNC1C2 MCULE-4622558327 [0,0,0,1,0,0|2,0,0]=3 696 B10R2.344 O=C(O)C12CCNC1C2 MCULE-5876870827 [0,0,0,1,0,0|2,0,0]=3 697 B10R2.344 O=C(O)C12CNCC1C2 MCULE-1023234959 [0,0,0,1,0,0|2,0,0]=3 698 B10R2.344 O=C(O)C12CNCC1C2 MCULE-2698470641 [0,0,0,1,0,0|2,0,0]=3 699 B10R2.344 O=C(O)C12COCC1C2 MCULE-4962599130 [0,0,0,1,0,0|2,0,0]=3 700 B10R2.344 O=C(O)[C@@]12CC1CCN2 MCULE-8361805191 [0,0,0,1,0,0|2,0,0]=3 701 B10R2.344 O=C(O)[C@@]12CC1CCN2 MCULE-9298532680 [0,0,0,1,0,0|2,0,0]=3 702 B10R2.344 O=C(O)[C@@]12COC[C@@H]1C2 MCULE-5335382694 [0,0,0,1,0,0|2,0,0]=3 703 B10R2.344 O=C(O)[C@@]12COC[C@@H]1C2 MCULE-6955865926 [0,0,0,1,0,0|2,0,0]=3 704 B10R2.344 O=C(O)[C@]12COCC1C2 MCULE-6646373866 [0,0,0,1,0,0|2,0,0]=3 705 B10R2.344 [C@@H]12COC[C@@]1(C2)C(=O)O MCULE-1926490936 [0,0,0,1,0,0|2,0,0]=3 706 B10R2.344 [C@@H]12COC[C@@]1(C2)C(=O)O MCULE-4045090245 [0,0,0,1,0,0|2,0,0]=3 707 B10R2.348 NC(=O)C12CC(C1)CN2 MCULE-4899287908 [0,0,0,1,0,0|3,0,0]=4 708 B10R2.348 NC(=O)C12CCC(C1)C2 MCULE-7319305149 [0,0,0,1,0,0|2,0,0]=3 709 B10R2.348 O=C(O)C12CC(C1)CN2 MCULE-3301053502 [0,0,0,1,0,0|2,0,0]=3 710 B10R2.348 O=C(O)C12CC(C1)CN2 MCULE-9060454076 [0,0,0,1,0,0|2,0,0]=3 711 B10R2.348 O=C(O)C12CC(C1)CO2 MCULE-4565029695 [0,0,0,1,0,0|2,0,0]=3 712 B10R2.348 O=C(O)C12CC(C1)CO2 MCULE-7423494837 [0,0,0,1,0,0|2,0,0]=3 713 B10R2.348 O=C(O)C12CCC(C1)C2 MCULE-8219273908 [0,0,0,1,0,0|1,0,0]=2 714 B10R2.348 O=C(O)C12CNC(C1)C2 MCULE-7157298202 [0,0,0,1,0,0|2,0,0]=3 715 B10R2.348 O=C(O)C12COC(C1)C2 MCULE-8326120300 [0,0,0,1,0,0|2,0,0]=3 716 B8R1.78 CC(=O)C1(CCC1)C MCULE-7668067765 [0,0,0,0,1,0|2,0,0]=3 717 B8R1.78 CC(=O)C1(CCC1)O MCULE-9112690180 [0,0,0,0,1,0|2,0,0]=3 718 B8R1.78 CC(=O)C1(CNC1)F MCULE-3665722852 [0,0,0,0,1,0|3,0,0]=4 719 B8R1.78 CC(=O)C1(CNC1)F MCULE-6096163194 [0,0,0,0,1,0|3,0,0]=4 720 B8R1.78 CC(=O)C1(COC1)C MCULE-3650835000 [0,0,0,0,1,0|3,0,0]=4 721 B8R1.78 CC(C)C1(CCC1)N MCULE-6914017446 [0,0,0,0,1,0|2,0,1]=4 722 B8R1.78 CC1(CCC1)C(=O)Cl MCULE-4438397604 [0,0,0,0,1,0|2,0,0]=3 723 B8R1.78 CC1(CCC1)C(=O)O MCULE-8539228760 [0,0,0,0,1,0|1,0,0]=2 724 B8R1.78 CC1(CCO1)C(=O)O MCULE-3206195959 [0,0,0,0,1,0|2,0,0]=3 725 B8R1.78 CC1(CNC1)C(=O)N MCULE-5961415095 [0,0,0,0,1,0|3,0,0]=4 726 B8R1.78 CC1(CNC1)C(=O)N MCULE-6950504484 [0,0,0,0,1,0|3,0,0]=4 727 B8R1.78 CC1(CNC1)C(=O)O MCULE-3626067455 [0,0,0,0,1,0|2,0,0]=3 728 B8R1.78 CC1(CNC1)C(=O)O MCULE-7316902394 [0,0,0,0,1,0|2,0,0]=3 729 B8R1.78 CC1(COC1)C(=O)O MCULE-6360656030 [0,0,0,0,1,0|2,0,0]=3 730 B8R1.78 C[C@@]1(CCO1)C(=O)O MCULE-1153504060 [0,0,0,0,1,0|2,0,0]=3 731 B8R1.78 NC(=O)C1(CCC1)Br MCULE-3386940591 [0,0,0,0,1,0|2,0,0]=3 732 B8R1.78 NC(=O)C1(CCC1)N MCULE-1043802844 [0,0,0,0,1,0|1,0,0]=2 733 B8R1.78 NC(=O)C1(CCC1)N MCULE-8757108427 [0,0,0,0,1,0|1,0,0]=2 734 B8R1.78 NC(=O)C1(CCC1)O MCULE-9017924933 [0,0,0,0,1,0|2,0,0]=3 735 B8R1.78 NC(=O)C1(CNC1)O MCULE-4705401931 [0,0,0,0,1,0|3,0,0]=4 736 B8R1.78 NC(=O)C1(CNC1)O MCULE-6961987506 [0,0,0,0,1,0|3,0,0]=4 737 B8R1.78 NC(=O)C1(COC1)N MCULE-1019126091 [0,0,0,0,1,0|2,0,0]=3 738 B8R1.78 NC1(CCC1)C(=O)Cl MCULE-4330568570 [0,0,0,0,1,0|1,0,0]=2 739 B8R1.78 NC1(CCC1)C(=O)Cl MCULE-9506658674 [0,0,0,0,1,0|1,0,0]=2 740 B8R1.78 NC1(CCC1)C(=O)O MCULE-7741753062 [0,0,0,0,1,0|0,0,0]=1 741 B8R1.78 NC1(CCC1)C(=O)O MCULE-8986168461 [0,0,0,0,1,0|0,0,0]=1 742 B8R1.78 NC1(CCC1)C(F)F MCULE-1817302854 [0,0,0,0,1,0|2,0,1]=4 743 B8R1.78 NC1(CCC1)C(F)F MCULE-7583183872 [0,0,0,0,1,0|2,0,1]=4 744 B8R1.78 NC1(CNC1)C(=O)O MCULE-1078717796 [0,0,0,0,1,0|1,0,0]=2 745 B8R1.78 NC1(CNC1)C(=O)O MCULE-1597584418 [0,0,0,0,1,0|1,0,0]=2 746 B8R1.78 NC1(COC1)C(=O)O MCULE-2048452241 [0,0,0,0,1,0|1,0,0]=2 747 B8R1.78 NC1(CSC1)C(=O)O MCULE-3865165435 [0,0,0,0,1,0|1,0,0]=2 748 B8R1.78 NC1(CSC1)C(=O)O MCULE-7335919130 [0,0,0,0,1,0|1,0,0]=2 749 B8R1.78 O=C(O)C1(CCC1)Br MCULE-2468093858 [0,0,0,0,1,0|1,0,0]=2 750 B8R1.78 O=C(O)C1(CCC1)F MCULE-5784376163 [0,0,0,0,1,0|1,0,0]=2 751 B8R1.78 O=C(O)C1(CCC1)O MCULE-3418659917 [0,0,0,0,1,0|1,0,0]=2 752 B8R1.78 O=C(O)C1(CNC1)F MCULE-7253312158 [0,0,0,0,1,0|2,0,0]=3 753 B8R1.78 O=C(O)C1(CNC1)O MCULE-3436636334 [0,0,0,0,1,0|2,0,0]=3 754 B8R1.78 O=C(O)C1(CNC1)O MCULE-4261639250 [0,0,0,0,1,0|2,0,0]=3 755 B8R1.78 O=C(O)C1(COC1)O MCULE-7009915692 [0,0,0,0,1,0|2,0,0]=3 756 B8R1.78 O=N(=O)C1(CCC1)Br MCULE-5339530869 [0,0,0,0,1,0|2,0,1]=4 757 B10R1.363 CC(=O)C1(CCCCC1)Br MCULE-1087745376 [0,0,0,0,0,1|2,0,0]=3 758 B10R1.363 CC(=O)C1(CCCCC1)C MCULE-2400194377 [0,0,0,0,0,1|2,0,0]=3 759 B10R1.363 CC(=O)C1(CCCCC1)N MCULE-2403671270 [0,0,0,0,0,1|1,0,0]=2 760 B10R1.363 CC(=O)C1(CCCCC1)N MCULE-8220968252 [0,0,0,0,0,1|1,0,0]=2 761 B10R1.363 CC(=O)C1(CCCCC1)O MCULE-8708554984 [0,0,0,0,0,1|2,0,0]=3 762 B10R1.363 CC(=O)C1(CCNCC1)C MCULE-2089718696 [0,0,0,0,0,1|2,0,0]=3 763 B10R1.363 CC(=O)C1(CCNCC1)C MCULE-3448978894 [0,0,0,0,0,1|2,0,0]=3 764 B10R1.363 CC(=O)C1(CCOCC1)C MCULE-6994899414 [0,0,0,0,0,1|2,0,0]=3 765 B10R1.363 CC(=O)C1(CCOCC1)O MCULE-4174424855 [0,0,0,0,0,1|2,0,0]=3 766 B10R1.363 CC(=O)C1(COCOC1)C MCULE-2297528523 [0,0,0,0,0,1|3,0,0]=4 767 B10R1.363 CC1(C=CCCC1)C(=O)O MCULE-7610148262 [0,0,0,0,0,1|1,0,1]=3 768 B10R1.363 CC1(CC=CCC1)C(=O)N MCULE-8468605392 [0,0,0,0,0,1|2,0,1]=4 769 B10R1.363 CC1(CC=CCC1)C(=O)O MCULE-5814640957 [0,0,0,0,0,1|1,0,1]=3 770 B10R1.363 CC1(CCCCC1)C(=O)Cl MCULE-2304699201 [0,0,0,0,0,1|2,0,0]=3 771 B10R1.363 CC1(CCCCC1)C(=O)N MCULE-2748976288 [0,0,0,0,0,1|2,0,0]=3 772 B10R1.363 CC1(CCCCC1)C(=O)O MCULE-8617368211 [0,0,0,0,0,1|1,0,0]=2 773 B10R1.363 CC1(CCCCN1)C(=O)N MCULE-5510028076 [0,0,0,0,0,1|2,0,0]=3 774 B10R1.363 CC1(CCCCN1)C(=O)N MCULE-9010382394 [0,0,0,0,0,1|2,0,0]=3 775 B10R1.363 CC1(CCCCN1)C(=O)O MCULE-4353837718 [0,0,0,0,0,1|1,0,0]=2 776 B10R1.363 CC1(CCCCN1)C(=O)O MCULE-5823768018 [0,0,0,0,0,1|1,0,0]=2 777 B10R1.363 CC1(CCCCO1)C(=O)O MCULE-8167039984 [0,0,0,0,0,1|1,0,0]=2 778 B10R1.363 CC1(CCCNC1)C(=O)N MCULE-6281064804 [0,0,0,0,0,1|2,0,0]=3 779 B10R1.363 CC1(CCCNC1)C(=O)N MCULE-7011930506 [0,0,0,0,0,1|2,0,0]=3 780 B10R1.363 CC1(CCCNC1)C(=O)O MCULE-1830247756 [0,0,0,0,0,1|1,0,0]=2 781 B10R1.363 CC1(CCCNC1)C(=O)O MCULE-4554317503 [0,0,0,0,0,1|1,0,0]=2 782 B10R1.363 CC1(CCCOC1)C(=O)O MCULE-3722771180 [0,0,0,0,0,1|1,0,0]=2 783 B10R1.363 CC1(CCNCC1)C(=O)N MCULE-1830846193 [0,0,0,0,0,1|2,0,0]=3 784 B10R1.363 CC1(CCNCC1)C(=O)N MCULE-7847544229 [0,0,0,0,0,1|2,0,0]=3 785 B10R1.363 CC1(CCNCC1)C(=O)O MCULE-5925956345 [0,0,0,0,0,1|1,0,0]=2 786 B10R1.363 CC1(CCNCC1)C(=O)O MCULE-9595642308 [0,0,0,0,0,1|1,0,0]=2 787 B10R1.363 CC1(CCOCC1)C(=O)O MCULE-6824729734 [0,0,0,0,0,1|1,0,0]=2 788 B10R1.363 CC1(CCSCC1)C(=O)O MCULE-4494370785 [0,0,0,0,0,1|1,0,0]=2 789 B10R1.363 CC1(CNCCO1)C(=O)N MCULE-9521473906 [0,0,0,0,0,1|3,0,0]=4 790 B10R1.363 CC1(CNCCO1)C(=O)O MCULE-6864976931 [0,0,0,0,0,1|2,0,0]=3 791 B10R1.363 CC1(CNCCO1)C(=O)O MCULE-7815848744 [0,0,0,0,0,1|2,0,0]=3 792 B10R1.363 CC1(COCCN1)C(=O)O MCULE-2577762263 [0,0,0,0,0,1|2,0,0]=3 793 B10R1.363 CC1(COCCN1)C(=O)O MCULE-4596611063 [0,0,0,0,0,1|2,0,0]=3 794 B10R1.363 CC1(COCCO1)C(=O)O MCULE-5074851185 [0,0,0,0,0,1|2,0,0]=3 795 B10R1.363 CC1(COCOC1)C(=O)O MCULE-7267825356 [0,0,0,0,0,1|2,0,0]=3 796 B10R1.363 C[C@@]1(CCCCN1)C(=O)O MCULE-2751244606 [0,0,0,0,0,1|1,0,0]=2 797 B10R1.363 C[C@@]1(CCCCN1)C(=O)O MCULE-9588562839 [0,0,0,0,0,1|1,0,0]=2 798 B10R1.363 C[C@@]1(CCCCO1)C(=O)O MCULE-8351337180 [0,0,0,0,0,1|1,0,0]=2 799 B10R1.363 C[C@@]1(CCCNC1)C(=O)O MCULE-2580172241 [0,0,0,0,0,1|1,0,0]=2 800 B10R1.363 C[C@@]1(CCCNC1)C(=O)O MCULE-5735574050 [0,0,0,0,0,1|1,0,0]=2 801 B10R1.363 C[C@@]1(CCCNC1)C(=O)O MCULE-6097682986 [0,0,0,0,0,1|1,0,0]=2 802 B10R1.363 C[C@@]1(CCCNC1)C(=O)O MCULE-8361078667 [0,0,0,0,0,1|1,0,0]=2 803 B10R1.363 C[C@]1(CCCCN1)C(=O)O MCULE-2019738412 [0,0,0,0,0,1|1,0,0]=2 804 B10R1.363 C[C@]1(CCCCN1)C(=O)O MCULE-5663835052 [0,0,0,0,0,1|1,0,0]=2 805 B10R1.363 C[C@]1(CCCCN1)C(=O)O MCULE-8254704116 [0,0,0,0,0,1|1,0,0]=2 806 B10R1.363 C[C@]1(CCCCO1)C(=O)O MCULE-1520204390 [0,0,0,0,0,1|1,0,0]=2 807 B10R1.363 C[C@]1(CCCCO1)C(=O)O MCULE-5357080399 [0,0,0,0,0,1|1,0,0]=2 808 B10R1.363 C[C@]1(CCCNC1)C(=O)O MCULE-4789999853 [0,0,0,0,0,1|1,0,0]=2 809 B10R1.363 C[C@]1(CCCNC1)C(=O)O MCULE-5338426663 [0,0,0,0,0,1|1,0,0]=2 810 B10R1.363 C[C@]1(CCCNC1)C(=O)O MCULE-6021049561 [0,0,0,0,0,1|1,0,0]=2 811 B10R1.363 C[C@]1(CCCNC1)C(=O)O MCULE-7816386590 [0,0,0,0,0,1|1,0,0]=2 812 B10R1.363 N=C(N)C1(CCCCC1)O MCULE-2241799409 [0,0,0,0,0,1|3,0,0]=4 813 B10R1.363 N=C(N)C1(CCCCC1)O MCULE-4555567865 [0,0,0,0,0,1|3,0,0]=4 814 B10R1.363 NC(=O)C1(CCCCC1)N MCULE-9213834644 [0,0,0,0,0,1|1,0,0]=2 815 B10R1.363 NC(=O)C1(CCCCC1)O MCULE-9953817877 [0,0,0,0,0,1|2,0,0]=3 816 B10R1.363 NC(=O)C1(CCCNC1)O MCULE-5624973083 [0,0,0,0,0,1|2,0,0]=3 817 B10R1.363 NC(=O)C1(CCNCC1)O MCULE-1637528026 [0,0,0,0,0,1|2,0,0]=3 818 B10R1.363 NC(=O)C1(CCNCC1)O MCULE-9426392755 [0,0,0,0,0,1|2,0,0]=3 819 B10R1.363 NC(=O)C1(CCOCC1)N MCULE-2419590647 [0,0,0,0,0,1|1,0,0]=2 820 B10R1.363 NC(=O)C1(CCOCC1)N MCULE-4475585786 [0,0,0,0,0,1|1,0,0]=2 821 B10R1.363 NC(=O)C1(CCOCC1)O MCULE-6043002573 [0,0,0,0,0,1|2,0,0]=3 822 B10R1.363 NC(=O)C1(CCSCC1)N MCULE-4385733187 [0,0,0,0,0,1|1,0,0]=2 823 B10R1.363 NC(=O)C1(CCSCC1)O MCULE-5322321936 [0,0,0,0,0,1|2,0,0]=3 824 B10R1.363 NC1(CCCCC1)C(=O)O MCULE-9219404299 [0,0,0,0,0,1|0,0,0]=1 825 B10R1.363 NC1(CCCCC1)C(F)F MCULE-1818635571 [0,0,0,0,0,1|2,0,1]=4 826 B10R1.363 NC1(CCCCC1)C(F)F MCULE-8461575374 [0,0,0,0,0,1|2,0,1]=4 827 B10R1.363 NC1(CCCOC1)C(=O)O MCULE-7592747043 [0,0,0,0,0,1|0,0,0]=1 828 B10R1.363 NC1(CCCSC1)C(=O)O MCULE-5875012341 [0,0,0,0,0,1|0,0,0]=1 829 B10R1.363 NC1(CCNCC1)C(=O)O MCULE-2468722313 [0,0,0,0,0,1|0,0,0]=1 830 B10R1.363 NC1(CCNCC1)C(=O)O MCULE-4525710147 [0,0,0,0,0,1|0,0,0]=1 831 B10R1.363 NC1(CCNCC1)C(=O)O MCULE-5856930946 [0,0,0,0,0,1|0,0,0]=1 832 B10R1.363 NC1(CCNCC1)C(=O)O MCULE-8458518802 [0,0,0,0,0,1|0,0,0]=1 833 B10R1.363 NC1(CCOCC1)C(=O)O MCULE-8720926076 [0,0,0,0,0,1|0,0,0]=1 834 B10R1.363 NC1(CCOCC1)C(=O)O MCULE-9032013861 [0,0,0,0,0,1|0,0,0]=1 835 B10R1.363 NC1(CCOCC1)C(F)F MCULE-4799150894 [0,0,0,0,0,1|2,0,1]=4 836 B10R1.363 NC1(CCOCC1)C(F)F MCULE-7741360018 [0,0,0,0,0,1|2,0,1]=4 837 B10R1.363 NC1(CCSCC1)C(=O)O MCULE-3400288648 [0,0,0,0,0,1|0,0,0]=1 838 B10R1.363 NC1(CCSCC1)C(=O)O MCULE-7826194478 [0,0,0,0,0,1|0,0,0]=1 839 B10R1.363 O=C(Cl)C1(CCCCC1)Br MCULE-3943135228 [0,0,0,0,0,1|2,0,0]=3 840 B10R1.363 O=C(Cl)C1(CCCCC1)Cl MCULE-5594029874 [0,0,0,0,0,1|2,0,0]=3 841 B10R1.363 O=C(O)C1(CCCCC1)Br MCULE-4457572618 [0,0,0,0,0,1|1,0,0]=2 842 B10R1.363 O=C(O)C1(CCCCC1)Cl MCULE-9172453010 [0,0,0,0,0,1|1,0,0]=2 843 B10R1.363 O=C(O)C1(CCCCC1)F MCULE-6566089811 [0,0,0,0,0,1|1,0,0]=2 844 B10R1.363 O=C(O)C1(CCCCC1)O MCULE-8504861268 [0,0,0,0,0,1|1,0,0]=2 845 B10R1.363 O=C(O)C1(CCCNC1)O MCULE-4880129058 [0,0,0,0,0,1|1,0,0]=2 846 B10R1.363 O=C(O)C1(CCCNC1)O MCULE-9960592206 [0,0,0,0,0,1|1,0,0]=2 847 B10R1.363 O=C(O)C1(CCCOC1)F MCULE-8290066035 [0,0,0,0,0,1|1,0,0]=2 848 B10R1.363 O=C(O)C1(CCNCC1)F MCULE-1312767997 [0,0,0,0,0,1|1,0,0]=2 849 B10R1.363 O=C(O)C1(CCNCC1)F MCULE-5915477961 [0,0,0,0,0,1|1,0,0]=2 850 B10R1.363 O=C(O)C1(CCNCC1)O MCULE-4619147711 [0,0,0,0,0,1|1,0,0]=2 851 B10R1.363 O=C(O)C1(CCNCC1)O MCULE-6538244346 [0,0,0,0,0,1|1,0,0]=2 852 B10R1.363 O=C(O)C1(CCOCC1)F MCULE-7783441156 [0,0,0,0,0,1|1,0,0]=2 853 B10R1.363 O=C(O)C1(CCOCC1)O MCULE-4186201239 [0,0,0,0,0,1|1,0,0]=2 854 B10R1.363 O=C(O)C1(CCSCC1)O MCULE-8230713014 [0,0,0,0,0,1|1,0,0]=2 855 B10R1.363 [NH3+]C1(CCCCC1)C(=O)O MCULE-1248384499 [0,0,0,0,0,1|0,0,1]=2 856 B10R1.370 CC(=O)NC1(CCNC1)C MCULE-5423126230 [0,0,0,0,0,1|3,0,0]=4 857 B10R1.370 CC1(CCCC1)CC(=O)O MCULE-4967984413 [0,0,0,0,0,1|1,0,0]=2 858 B10R1.370 CC1(OCCO1)CC(=O)O MCULE-8187059716 [0,0,0,0,0,1|3,0,0]=4 859 B10R1.370 NC1(CCCC1)CC(=O)O MCULE-5280016961 [0,0,0,0,0,1|0,0,0]=1 860 B10R1.370 NC1(CCCC1)CC(=O)O MCULE-8706705761 [0,0,0,0,0,1|0,0,0]=1 861 B10R1.370 NC1(CCSC1)CC(=O)O MCULE-1913904908 [0,0,0,0,0,1|1,0,0]=2 862 B10R1.370 O=C(O)CC1(CCCC1)O MCULE-7504539994 [0,0,0,0,0,1|1,0,0]=2 863 B10R1.370 O=C(O)CC1(CCOC1)O MCULE-7553623965 [0,0,0,0,0,1|2,0,0]=3 864 B7R0.3 C=C(C=O)CCCC MCULE-4974026399 [1,0,1,0,0,0|1,0,1]=4 865 B7R0.3 C=CC(O)CCCC MCULE-1674668011 [1,0,1,0,0,0|2,0,0]=4 866 B7R0.3 CCCC/C(=N/O)/N MCULE-2186271962 [1,0,1,0,0,0|1,0,1]=4 867 B7R0.3 CCCCC(Cl)C=O MCULE-7474969991 [1,0,1,0,0,0|1,0,0]=3 868 B7R0.3 CCCCC(N)CC MCULE-1353863738 [1,0,1,0,0,0|1,0,1]=4 869 B7R0.3 CCCCC(N)CC MCULE-9870475040 [1,0,1,0,0,0|1,0,1]=4 870 B7R0.3 CCCCC(N)CN MCULE-2038464943 [1,0,1,0,0,0|1,0,1]=4 871 B7R0.3 CCCCC(N)CO MCULE-1874423109 [1,0,1,0,0,0|0,0,1]=3 872 B7R0.3 CCCCC(N)CO MCULE-2041767659 [1,0,1,0,0,0|0,0,1]=3 873 B7R0.3 CCCCC(N)CO MCULE-4533575851 [1,0,1,0,0,0|0,0,1]=3 874 B7R0.3 CCCCC(N)CO MCULE-7141990411 [1,0,1,0,0,0|0,0,1]=3 875 B7R0.3 CCCCC(O)CO MCULE-6903923961 [1,0,1,0,0,0|1,0,1]=4 876 B7R0.3 CCCC[C@@H](N)CO MCULE-1379297850 [1,0,1,0,0,0|0,0,1]=3 877 B7R0.3 CCCC[C@@H](N)CO MCULE-5016786633 [1,0,1,0,0,0|0,0,1]=3 878 B7R0.3 CCCC[C@@H](N)CO MCULE-6669873658 [1,0,1,0,0,0|0,0,1]=3 879 B7R0.3 CCCC[C@@H](N)CO MCULE-6809294141 [1,0,1,0,0,0|0,0,1]=3 880 B7R0.3 CCCC[C@H](C)C=O MCULE-7821873587 [1,0,1,0,0,0|1,0,0]=3 881 B7R0.3 CCCC[C@H](N)CO MCULE-3277509271 [1,0,1,0,0,0|0,0,1]=3 882 B7R0.3 CCCC[C@H](N)CO MCULE-5867397890 [1,0,1,0,0,0|0,0,1]=3 883 B7R0.3 CCOCC(N)CO MCULE-8546500751 [1,0,1,0,0,0|1,0,1]=4 884 B7R0.3 COCCC(N)CO MCULE-9758817920 [1,0,1,0,0,0|1,0,1]=4 885 B7R0.3 CSCCC(N)CO MCULE-1688371230 [1,0,1,0,0,0|1,0,1]=4 886 B7R0.3 CSCC[C@@H](N)CO MCULE-2764794918 [1,0,1,0,0,0|1,0,1]=4 887 B7R0.3 CSCC[C@@H](N)CO MCULE-7120101109 [1,0,1,0,0,0|1,0,1]=4 888 B7R0.3 CSCC[C@H](N)CO MCULE-6014525130 [1,0,1,0,0,0|1,0,1]=4 889 B7R0.3 CSCC[C@H](N)CO MCULE-9216326176 [1,0,1,0,0,0|1,0,1]=4 890 B7R0.4 C#CCCCC(=O)O MCULE-7464892335 [1,0,1,0,0,0|0,0,2]=4 891 B7R0.4 C(=C/C(=O)O)\CCC MCULE-7580507705 [1,0,1,0,0,0|0,0,2]=4 892 B7R0.4 C(=C/CC(=O)O)\CC MCULE-2731794411 [1,0,1,0,0,0|0,0,2]=4 893 B7R0.4 C=C(Br)CCCCC MCULE-3049831354 [1,0,1,0,0,0|2,0,0]=4 894 B7R0.4 C=C(C)CCCCC MCULE-6108413722 [1,0,1,0,0,0|2,0,0]=4 895 B7R0.4 C=C(Cl)CCCCC MCULE-5074452982 [1,0,1,0,0,0|2,0,0]=4 896 B7R0.4 C=CCCCC(=O)O MCULE-6043142578 [1,0,1,0,0,0|0,0,2]=4 897 B7R0.4 CC#CCCC(=O)O MCULE-1415388780 [1,0,1,0,0,0|0,0,2]=4 898 B7R0.4 CC(=O)CCCCBr MCULE-8801446022 [1,0,1,0,0,0|2,0,0]=4 899 B7R0.4 CC(=O)CCCCCl MCULE-2883443563 [1,0,1,0,0,0|2,0,0]=4 900 B7R0.4 CC(=O)CCCCO MCULE-9846338144 [1,0,1,0,0,0|2,0,0]=4 901 B7R0.4 CC=CCCC(=O)O MCULE-4275247668 [1,0,1,0,0,0|0,0,2]=4 902 B7R0.4 CCC=CCC(=O)O MCULE-5031939966 [1,0,1,0,0,0|0,0,2]=4 903 B7R0.4 CCCC#CC(=O)O MCULE-1682387091 [1,0,1,0,0,0|0,0,2]=4 904 B7R0.4 CCCC=CC(=O)O MCULE-6995077492 [1,0,1,0,0,0|0,0,2]=4 905 B7R0.4 CCCCCB(O)O MCULE-3441747739 [1,0,1,0,0,0|1,0,1]=4 906 B7R0.4 CCCCCC(=N)N MCULE-4874167268 [1,0,1,0,0,0|2,0,0]=4 907 B7R0.4 CCCCCC(=N)N MCULE-6942690708 [1,0,1,0,0,0|2,0,0]=4 908 B7R0.4 CCCCCC(=O)C MCULE-6017828463 [1,0,1,0,0,0|1,0,0]=3 909 B7R0.4 CCCCCC(=O)Cl MCULE-5446850478 [1,0,1,0,0,0|1,0,0]=3 910 B7R0.4 CCCCCC(=O)N MCULE-3215992514 [1,0,1,0,0,0|1,0,0]=3 911 B7R0.4 CCCCCC(=O)O MCULE-1671810139 [1,0,1,0,0,0|0,0,0]=2 912 B7R0.4 CCCCCC(=O)[O-] MCULE-5310584661 [1,0,1,0,0,0|0,0,1]=3 913 B7R0.4 CCCCCC(=O)[O-] MCULE-9495078126 [1,0,1,0,0,0|0,0,1]=3 914 B7R0.4 CCCCCC(=S)N MCULE-7633089850 [1,0,1,0,0,0|1,1,0]=4 915 B7R0.4 CCCCCC(C)O MCULE-2463855771 [1,0,1,0,0,0|1,0,1]=4 916 B7R0.4 CCCCCN(=O)=O MCULE-6853489453 [1,0,1,0,0,0|1,0,1]=4 917 B7R0.4 CCCCC[C@@H](C)O MCULE-1984852239 [1,0,1,0,0,0|1,0,1]=4 918 B7R0.4 CCCCC[C@@H](C)O MCULE-2769933740 [1,0,1,0,0,0|1,0,1]=4 919 B7R0.4 CCCCC[C@H](C)O MCULE-2305379902 [1,0,1,0,0,0|1,0,1]=4 920 B7R0.4 CCCCC[C@H](C)O MCULE-5898721044 [1,0,1,0,0,0|1,0,1]=4 921 B7R0.4 CCCCNC(=O)C MCULE-7266335096 [1,0,1,0,0,0|2,0,0]=4 922 B7R0.4 CCCCNC(=O)Cl MCULE-2148016012 [1,0,1,0,0,0|2,0,0]=4 923 B7R0.4 CCCCNC(=O)N MCULE-3263036294 [1,0,1,0,0,0|2,0,0]=4 924 B7R0.4 CCCCOC(=O)C MCULE-2107021121 [1,0,1,0,0,0|2,0,0]=4 925 B7R0.4 CCCCOC(=O)Cl MCULE-5750652482 [1,0,1,0,0,0|2,0,0]=4 926 B7R0.4 CCCCOC(=O)N MCULE-7719579696 [1,0,1,0,0,0|2,0,0]=4 927 B7R0.4 CCCCSC(=O)C MCULE-2653182488 [1,0,1,0,0,0|2,0,0]=4 928 B7R0.4 CCCCSC(=O)Cl MCULE-8008254909 [1,0,1,0,0,0|2,0,0]=4 929 B7R0.4 CCCNCC(=O)N MCULE-2330202708 [1,0,1,0,0,0|2,0,0]=4 930 B7R0.4 CCCNCC(=O)N MCULE-3731054780 [1,0,1,0,0,0|2,0,0]=4 931 B7R0.4 CCCNCC(=O)O MCULE-4384128915 [1,0,1,0,0,0|1,0,0]=3 932 B7R0.4 CCCNCC(=O)O MCULE-7537317046 [1,0,1,0,0,0|1,0,0]=3 933 B7R0.4 CCCOCC(=O)O MCULE-6841640058 [1,0,1,0,0,0|1,0,0]=3 934 B7R0.4 CCCSCC(=O)C MCULE-8321448629 [1,0,1,0,0,0|2,0,0]=4 935 B7R0.4 CCCSCC(=O)O MCULE-7463688573 [1,0,1,0,0,0|1,0,0]=3 936 B7R0.4 CCNCCC(=O)N MCULE-4857735433 [1,0,1,0,0,0|2,0,0]=4 937 B7R0.4 CCNCCC(=O)N MCULE-8238114591 [1,0,1,0,0,0|2,0,0]=4 938 B7R0.4 CCNCCC(=O)O MCULE-4226597657 [1,0,1,0,0,0|1,0,0]=3 939 B7R0.4 CCNCCC(=O)O MCULE-9183951914 [1,0,1,0,0,0|1,0,0]=3 940 B7R0.4 CCOCCC(=O)C MCULE-8449201493 [1,0,1,0,0,0|2,0,0]=4 941 B7R0.4 CCOCCC(=O)Cl MCULE-8299617790 [1,0,1,0,0,0|2,0,0]=4 942 B7R0.4 CCOCCC(=O)O MCULE-3962084059 [1,0,1,0,0,0|1,0,0]=3 943 B7R0.4 CCSCCC(=O)O MCULE-9385724904 [1,0,1,0,0,0|1,0,0]=3 944 B7R0.4 CNCCCC(=O)N MCULE-8337447772 [1,0,1,0,0,0|2,0,0]=4 945 B7R0.4 CNCCCC(=O)N MCULE-9037809827 [1,0,1,0,0,0|2,0,0]=4 946 B7R0.4 CNCCCC(=O)O MCULE-7598762485 [1,0,1,0,0,0|1,0,0]=3 947 B7R0.4 CNCCCC(=O)O MCULE-7877286915 [1,0,1,0,0,0|1,0,0]=3 948 B7R0.4 COCCCC(=O)C MCULE-3606369396 [1,0,1,0,0,0|2,0,0]=4 949 B7R0.4 COCCCC(=O)O MCULE-3165881573 [1,0,1,0,0,0|1,0,0]=3 950 B7R0.4 CSCCCC(=O)O MCULE-2126637794 [1,0,1,0,0,0|1,0,0]=3 951 B7R0.4 CSSCCC(=O)O MCULE-6571821309 [1,0,1,0,0,0|2,0,0]=4 952 B7R0.4 N#CCCCC(=O)O MCULE-9921837071 [1,0,1,0,0,0|1,0,1]=4 953 B7R0.4 NC(=O)CCCCBr MCULE-4949681497 [1,0,1,0,0,0|2,0,0]=4 954 B7R0.4 NC(=O)CCCCCl MCULE-7937142112 [1,0,1,0,0,0|2,0,0]=4 955 B7R0.4 NC(=O)CCCCO MCULE-4820227146 [1,0,1,0,0,0|2,0,0]=4 956 B7R0.4 NCCCCC(=O)N MCULE-3198962228 [1,0,1,0,0,0|2,0,0]=4 957 B7R0.4 NCCCCC(=O)N MCULE-7986221705 [1,0,1,0,0,0|2,0,0]=4 958 B7R0.4 NCCCCC(=O)O MCULE-1155829905 [1,0,1,0,0,0|1,0,0]=3 959 B7R0.4 NCCCCC(=O)O MCULE-3920398524 [1,0,1,0,0,0|1,0,0]=3 960 B7R0.4 NCCCCC(=O)O MCULE-4404796498 [1,0,1,0,0,0|1,0,0]=3 961 B7R0.4 NCCCCC(=O)O MCULE-4971679857 [1,0,1,0,0,0|1,0,0]=3 962 B7R0.4 NCCNCC(=O)O MCULE-9689592343 [1,0,1,0,0,0|2,0,0]=4 963 B7R0.4 NCCNCC(=O)O MCULE-9795251557 [1,0,1,0,0,0|2,0,0]=4 964 B7R0.4 NCCOCC(=O)O MCULE-2375694645 [1,0,1,0,0,0|2,0,0]=4 965 B7R0.4 NCCOCC(=O)O MCULE-5877065986 [1,0,1,0,0,0|2,0,0]=4 966 B7R0.4 NCCSCC(=O)O MCULE-5565800206 [1,0,1,0,0,0|2,0,0]=4 967 B7R0.4 NCCSCC(=O)O MCULE-8322098978 [1,0,1,0,0,0|2,0,0]=4 968 B7R0.4 NOCCCC(=O)O MCULE-4102473285 [1,0,1,0,0,0|2,0,0]=4 969 B7R0.4 NOCCCC(=O)O MCULE-7068985203 [1,0,1,0,0,0|2,0,0]=4 970 B7R0.4 O=C(Cl)CCCCBr MCULE-5574450546 [1,0,1,0,0,0|2,0,0]=4 971 B7R0.4 O=C(Cl)CCCCCl MCULE-9605707894 [1,0,1,0,0,0|2,0,0]=4 972 B7R0.4 O=C(Cl)CCCCF MCULE-8110878511 [1,0,1,0,0,0|2,0,0]=4 973 B7R0.4 O=C(O)CCCCBr MCULE-2655919094 [1,0,1,0,0,0|1,0,0]=3 974 B7R0.4 O=C(O)CCCCCl MCULE-4094641005 [1,0,1,0,0,0|1,0,0]=3 975 B7R0.4 O=C(O)CCCCO MCULE-8816195933 [1,0,1,0,0,0|1,0,0]=3 976 B7R0.4 O=C(O)CCCCS MCULE-2427465795 [1,0,1,0,0,0|1,0,0]=3 977 B7R0.4 O=C(O)CNCCO MCULE-7501311949 [1,0,1,0,0,0|2,0,0]=4 978 B7R0.4 O=C(O)COCCBr MCULE-4593325557 [1,0,1,0,0,0|2,0,0]=4 979 B7R0.4 O=C(O)COCCCl MCULE-2978816248 [1,0,1,0,0,0|2,0,0]=4 980 B7R0.4 O=C(O)COCCF MCULE-9820799514 [1,0,1,0,0,0|2,0,0]=4 981 B7R0.4 O=C(O)COCCO MCULE-8297137880 [1,0,1,0,0,0|2,0,0]=4 982 B7R0.4 O=C(O)CSCCCl MCULE-5204967583 [1,0,1,0,0,0|2,0,0]=4 983 B7R0.4 O=C(O)CSCCO MCULE-1062560307 [1,0,1,0,0,0|2,0,0]=4 984 B7R0.4 O=C([O-])CCCCO MCULE-3836827182 [1,0,1,0,0,0|1,0,1]=4 985 B7R0.4 O=CCCCC(=O)O MCULE-8389457571 [1,0,1,0,0,0|1,0,1]=4 986 B7R0.5 C#CCC(C)C(=O)O MCULE-4819055703 [1,0,1,0,0,0|0,0,2]=4 987 B7R0.5 C#CCC(N)C(=O)O MCULE-2022398365 [1,0,1,0,0,0|0,0,2]=4 988 B7R0.5 C#CCC(N)C(=O)O MCULE-2451098139 [1,0,1,0,0,0|0,0,2]=4 989 B7R0.5 C#CCC(N)C(=O)O MCULE-4330300997 [1,0,1,0,0,0|0,0,2]=4 990 B7R0.5 C#CCC(N)C(=O)O MCULE-5100293043 [1,0,1,0,0,0|0,0,2]=4 991 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-1266511504 [1,0,1,0,0,0|0,0,2]=4 992 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-2589808316 [1,0,1,0,0,0|0,0,2]=4 993 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-4703021434 [1,0,1,0,0,0|0,0,2]=4 994 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-5616417783 [1,0,1,0,0,0|0,0,2]=4 995 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-1593368546 [1,0,1,0,0,0|0,0,2]=4 996 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-5683421535 [1,0,1,0,0,0|0,0,2]=4 997 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-7302855511 [1,0,1,0,0,0|0,0,2]=4 998 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-9256626051 [1,0,1,0,0,0|0,0,2]=4 999 B7R0.5 C=C(CCC)C(=O)O MCULE-5702167426 [1,0,1,0,0,0|0,0,2]=4 1000 B7R0.5 C=CCC(C)C(=O)O MCULE-2912410432 [1,0,1,0,0,0|0,0,2]=4 1001 B7R0.5 C=CCC(N)C(=O)O MCULE-1550468430 [1,0,1,0,0,0|0,0,2]=4 1002 B7R0.5 C=CCC(N)C(=O)O MCULE-1783682768 [1,0,1,0,0,0|0,0,2]=4 1003 B7R0.5 C=CCC(N)C(=O)O MCULE-8721864064 [1,0,1,0,0,0|0,0,2]=4 1004 B7R0.5 C=CCC(N)C(=O)O MCULE-9091562338 [1,0,1,0,0,0|0,0,2]=4 1005 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-3817126030 [1,0,1,0,0,0|0,0,2]=4 1006 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-5479618260 [1,0,1,0,0,0|0,0,2]=4 1007 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-6719393730 [1,0,1,0,0,0|0,0,2]=4 1008 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-7577627870 [1,0,1,0,0,0|0,0,2]=4 1009 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-2073484196 [1,0,1,0,0,0|0,0,2]=4 1010 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-3267648941 [1,0,1,0,0,0|0,0,2]=4 1011 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-4183531139 [1,0,1,0,0,0|0,0,2]=4 1012 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-8225762047 [1,0,1,0,0,0|0,0,2]=4 1013 B7R0.5 CC(=O)C(C)CCBr MCULE-4705039689 [1,0,1,0,0,0|2,0,0]=4 1014 B7R0.5 CC(=O)C(C)CCCl MCULE-2960091698 [1,0,1,0,0,0|2,0,0]=4 1015 B7R0.5 CC(=O)C(C)CCO MCULE-3907160101 [1,0,1,0,0,0|2,0,0]=4 1016 B7R0.5 CC(CCCl)C(=O)Cl MCULE-4844969943 [1,0,1,0,0,0|2,0,0]=4 1017 B7R0.5 CC(CCN)C(=O)O MCULE-8098419324 [1,0,1,0,0,0|1,0,0]=3 1018 B7R0.5 CC(CCN)C(=O)O MCULE-8509861009 [1,0,1,0,0,0|1,0,0]=3 1019 B7R0.5 CC(CCO)C(=O)N MCULE-3037868887 [1,0,1,0,0,0|2,0,0]=4 1020 B7R0.5 CC(CCO)C(=O)O MCULE-9724304469 [1,0,1,0,0,0|1,0,0]=3 1021 B7R0.5 CC(CCO)C(=O)[O-] MCULE-2278638513 [1,0,1,0,0,0|1,0,1]=4 1022 B7R0.5 CC/C=C(\C)/C(=O)O MCULE-1290613859 [1,0,1,0,0,0|0,0,2]=4 1023 B7R0.5 CC=CC(C)C(=O)O MCULE-5584906296 [1,0,1,0,0,0|0,0,2]=4 1024 B7R0.5 CCC=C(C)C(=O)O MCULE-5045441145 [1,0,1,0,0,0|0,0,2]=4 1025 B7R0.5 CCCC(=O)C(=O)O MCULE-5281491858 [1,0,1,0,0,0|1,0,1]=4 1026 B7R0.5 CCCC(Br)C(=O)C MCULE-2062903416 [1,0,1,0,0,0|2,0,0]=4 1027 B7R0.5 CCCC(Br)C(=O)O MCULE-4304229911 [1,0,1,0,0,0|1,0,0]=3 1028 B7R0.5 CCCC(C)C(=O)C MCULE-5585795289 [1,0,1,0,0,0|1,0,0]=3 1029 B7R0.5 CCCC(C)C(=O)Cl MCULE-4855016209 [1,0,1,0,0,0|1,0,0]=3 1030 B7R0.5 CCCC(C)C(=O)N MCULE-1948746391 [1,0,1,0,0,0|1,0,0]=3 1031 B7R0.5 CCCC(C)C(=O)O MCULE-7779384365 [1,0,1,0,0,0|0,0,0]=2 1032 B7R0.5 CCCC(C)C(C)O MCULE-3222709632 [1,0,1,0,0,0|1,0,1]=4 1033 B7R0.5 CCCC(Cl)C(=O)O MCULE-1265367924 [1,0,1,0,0,0|1,0,0]=3 1034 B7R0.5 CCCC(F)C(=O)O MCULE-5551678948 [1,0,1,0,0,0|1,0,0]=3 1035 B7R0.5 CCCC(N)C(=O)N MCULE-5159221123 [1,0,1,0,0,0|1,0,0]=3 1036 B7R0.5 CCCC(N)C(=O)N MCULE-5742773956 [1,0,1,0,0,0|1,0,0]=3 1037 B7R0.5 CCCC(N)C(=O)O MCULE-1684743992 [1,0,1,0,0,0|0,0,0]=2 1038 B7R0.5 CCCC(N)C(=O)O MCULE-5263067403 [1,0,1,0,0,0|0,0,0]=2 1039 B7R0.5 CCCC(N)C(=O)O MCULE-7151907627 [1,0,1,0,0,0|0,0,0]=2 1040 B7R0.5 CCCC(O)C(=O)N MCULE-3143432132 [1,0,1,0,0,0|2,0,0]=4 1041 B7R0.5 CCCC(O)C(=O)O MCULE-8533446195 [1,0,1,0,0,0|1,0,0]=3 1042 B7R0.5 CCCC(O)C(=O)O MCULE-9586449213 [1,0,1,0,0,0|1,0,0]=3 1043 B7R0.5 CCCN(C)C(=O)Cl MCULE-2930764127 [1,0,1,0,0,0|2,0,0]=4 1044 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-1302378905 [1,0,1,0,0,0|0,0,0]=2 1045 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-5246507817 [1,0,1,0,0,0|0,0,0]=2 1046 B7R0.5 CCC[C@@H](O)C(=O)O MCULE-2742119346 [1,0,1,0,0,0|1,0,0]=3 1047 B7R0.5 CCC[C@H](Br)C(=O)O MCULE-3070253588 [1,0,1,0,0,0|1,0,0]=3 1048 B7R0.5 CCC[C@H](N)C(=O)N MCULE-2163059771 [1,0,1,0,0,0|1,0,0]=3 1049 B7R0.5 CCC[C@H](N)C(=O)N MCULE-4687172013 [1,0,1,0,0,0|1,0,0]=3 1050 B7R0.5 CCC[C@H](N)C(=O)N MCULE-7482592029 [1,0,1,0,0,0|1,0,0]=3 1051 B7R0.5 CCC[C@H](N)C(=O)N MCULE-9639796243 [1,0,1,0,0,0|1,0,0]=3 1052 B7R0.5 CCC[C@H](N)C(=O)O MCULE-2890516597 [1,0,1,0,0,0|0,0,0]=2 1053 B7R0.5 CCC[C@H](N)C(=O)O MCULE-4690406880 [1,0,1,0,0,0|0,0,0]=2 1054 B7R0.5 CCC[C@H](N)C(=O)O MCULE-9323049450 [1,0,1,0,0,0|0,0,0]=2 1055 B7R0.5 CCC[C@H](O)C(=O)O MCULE-6533548138 [1,0,1,0,0,0|1,0,0]=3 1056 B7R0.5 CCC[C@H](O)C(=O)O MCULE-8321722254 [1,0,1,0,0,0|1,0,0]=3 1057 B7R0.5 CCNC(C)C(=O)N MCULE-2861818493 [1,0,1,0,0,0|2,0,0]=4 1058 B7R0.5 CCNC(C)C(=O)N MCULE-6110291237 [1,0,1,0,0,0|2,0,0]=4 1059 B7R0.5 CCNC(C)C(=O)O MCULE-5445574810 [1,0,1,0,0,0|1,0,0]=3 1060 B7R0.5 CCNC(C)C(=O)O MCULE-5666785247 [1,0,1,0,0,0|1,0,0]=3 1061 B7R0.5 CCN[C@H](C)C(=O)O MCULE-9676358201 [1,0,1,0,0,0|1,0,0]=3 1062 B7R0.5 CCOC(C)C(=O)O MCULE-2185795311 [1,0,1,0,0,0|1,0,0]=3 1063 B7R0.5 CCSC(C)C(=O)O MCULE-9817243573 [1,0,1,0,0,0|1,0,0]=3 1064 B7R0.5 CNCC(C)C(=O)O MCULE-4255373615 [1,0,1,0,0,0|1,0,0]=3 1065 B7R0.5 CNCC(C)C(=O)O MCULE-8076489545 [1,0,1,0,0,0|1,0,0]=3 1066 B7R0.5 CNCC(N)C(=O)O MCULE-4360775406 [1,0,1,0,0,0|1,0,0]=3 1067 B7R0.5 CNCC(N)C(=O)O MCULE-4913403405 [1,0,1,0,0,0|1,0,0]=3 1068 B7R0.5 CNC[C@H](N)C(=O)O MCULE-3465445123 [1,0,1,0,0,0|1,0,0]=3 1069 B7R0.5 CNC[C@H](N)C(=O)O MCULE-7309489523 [1,0,1,0,0,0|1,0,0]=3 1070 B7R0.5 CNC[C@H](N)C(=O)O MCULE-8418254346 [1,0,1,0,0,0|1,0,0]=3 1071 B7R0.5 CNC[C@H](N)C(=O)O MCULE-8752314299 [1,0,1,0,0,0|1,0,0]=3 1072 B7R0.5 COCC(Br)C(=O)O MCULE-2977381282 [1,0,1,0,0,0|2,0,0]=4 1073 B7R0.5 COCC(C)C(=O)C MCULE-5328927786 [1,0,1,0,0,0|2,0,0]=4 1074 B7R0.5 COCC(C)C(=O)O MCULE-9776415948 [1,0,1,0,0,0|1,0,0]=3 1075 B7R0.5 COCC(Cl)C(=O)O MCULE-1439107016 [1,0,1,0,0,0|2,0,0]=4 1076 B7R0.5 COCC(N)C(=O)N MCULE-2465830538 [1,0,1,0,0,0|2,0,0]=4 1077 B7R0.5 COCC(N)C(=O)N MCULE-6194410780 [1,0,1,0,0,0|2,0,0]=4 1078 B7R0.5 COCC(N)C(=O)O MCULE-4336440568 [1,0,1,0,0,0|1,0,0]=3 1079 B7R0.5 COCC(N)C(=O)O MCULE-4899043582 [1,0,1,0,0,0|1,0,0]=3 1080 B7R0.5 COCC(N)C(=O)O MCULE-6964823693 [1,0,1,0,0,0|1,0,0]=3 1081 B7R0.5 COCC(N)C(=O)O MCULE-7037870255 [1,0,1,0,0,0|1,0,0]=3 1082 B7R0.5 COCC(O)C(=O)O MCULE-3185498869 [1,0,1,0,0,0|2,0,0]=4 1083 B7R0.5 COC[C@@H](N)C(=O)O MCULE-1827086666 [1,0,1,0,0,0|1,0,0]=3 1084 B7R0.5 COC[C@@H](N)C(=O)O MCULE-4868456769 [1,0,1,0,0,0|1,0,0]=3 1085 B7R0.5 COC[C@@H](N)C(=O)O MCULE-5275247485 [1,0,1,0,0,0|1,0,0]=3 1086 B7R0.5 COC[C@@H](N)C(=O)O MCULE-7339751251 [1,0,1,0,0,0|1,0,0]=3 1087 B7R0.5 COC[C@H](N)C(=O)O MCULE-3719679803 [1,0,1,0,0,0|1,0,0]=3 1088 B7R0.5 COC[C@H](N)C(=O)O MCULE-4874807874 [1,0,1,0,0,0|1,0,0]=3 1089 B7R0.5 COC[C@H](N)C(=O)O MCULE-5303156917 [1,0,1,0,0,0|1,0,0]=3 1090 B7R0.5 COC[C@H](N)C(=O)O MCULE-8138564560 [1,0,1,0,0,0|1,0,0]=3 1091 B7R0.5 CSCC(C)C(=O)O MCULE-7112130175 [1,0,1,0,0,0|1,0,0]=3 1092 B7R0.5 CSCC(N)C(=O)O MCULE-7668628251 [1,0,1,0,0,0|1,0,0]=3 1093 B7R0.5 CSC[C@H](N)C(=O)O MCULE-1178337776 [1,0,1,0,0,0|1,0,0]=3 1094 B7R0.5 CSC[C@H](N)C(=O)O MCULE-2769761337 [1,0,1,0,0,0|1,0,0]=3 1095 B7R0.5 C[C@@H](CCS)C(=O)O MCULE-2918304262 [1,0,1,0,0,0|1,0,0]=3 1096 B7R0.5 C[Se]CC(N)C(=O)O MCULE-3357465269 [1,0,1,0,0,0|1,0,0]=3 1097 B7R0.5 C[Se]CC(N)C(=O)O MCULE-7671606756 [1,0,1,0,0,0|1,0,0]=3 1098 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-5208306365 [1,0,1,0,0,0|1,0,0]=3 1099 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-6734478742 [1,0,1,0,0,0|1,0,0]=3 1100 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-6760615750 [1,0,1,0,0,0|1,0,0]=3 1101 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-7512025617 [1,0,1,0,0,0|1,0,0]=3 1102 B7R0.5 N#CCC(N)C(=O)O MCULE-4929926467 [1,0,1,0,0,0|1,0,1]=4 1103 B7R0.5 N#CC[C@H](N)C(=O)O MCULE-6294926701 [1,0,1,0,0,0|1,0,1]=4 1104 B7R0.5 N#CC[C@H](N)C(=O)O MCULE-6432920316 [1,0,1,0,0,0|1,0,1]=4 1105 B7R0.5 NC(CCBr)C(=O)O MCULE-1900559475 [1,0,1,0,0,0|1,0,0]=3 1106 B7R0.5 NC(CCBr)C(=O)O MCULE-7293320576 [1,0,1,0,0,0|1,0,0]=3 1107 B7R0.5 NC(CCF)C(=O)O MCULE-5519595590 [1,0,1,0,0,0|1,0,0]=3 1108 B7R0.5 NC(CCF)C(=O)O MCULE-7293194855 [1,0,1,0,0,0|1,0,0]=3 1109 B7R0.5 NC(CCO)C(=O)O MCULE-1744838687 [1,0,1,0,0,0|1,0,0]=3 1110 B7R0.5 NC(CCO)C(=O)O MCULE-9642233758 [1,0,1,0,0,0|1,0,0]=3 1111 B7R0.5 NC(CCS)C(=O)O MCULE-8057550187 [1,0,1,0,0,0|1,0,0]=3 1112 B7R0.5 NC(CCS)C(=O)O MCULE-8117596001 [1,0,1,0,0,0|1,0,0]=3 1113 B7R0.5 NC(CNO)C(=O)O MCULE-2332662988 [1,0,1,0,0,0|2,0,0]=4 1114 B7R0.5 NCCC(F)C(=O)O MCULE-5068755002 [1,0,1,0,0,0|2,0,0]=4 1115 B7R0.5 NCCC(F)C(=O)O MCULE-9196695600 [1,0,1,0,0,0|2,0,0]=4 1116 B7R0.5 NCCC(N)C(=O)O MCULE-1239764966 [1,0,1,0,0,0|1,0,0]=3 1117 B7R0.5 NCCC(N)C(=O)O MCULE-2441123923 [1,0,1,0,0,0|1,0,0]=3 1118 B7R0.5 NCCC(N)C(=O)O MCULE-3966593369 [1,0,1,0,0,0|1,0,0]=3 1119 B7R0.5 NCCC(N)C(=O)O MCULE-4212078130 [1,0,1,0,0,0|1,0,0]=3 1120 B7R0.5 NCCC(N)C(=O)O MCULE-7713366571 [1,0,1,0,0,0|1,0,0]=3 1121 B7R0.5 NCCC(N)C(=O)O MCULE-8402131049 [1,0,1,0,0,0|1,0,0]=3 1122 B7R0.5 NCCC(N)C(=O)O MCULE-9198187552 [1,0,1,0,0,0|1,0,0]=3 1123 B7R0.5 NCCC(O)C(=O)O MCULE-3670080484 [1,0,1,0,0,0|2,0,0]=4 1124 B7R0.5 NCCC(O)C(=O)O MCULE-6540935279 [1,0,1,0,0,0|2,0,0]=4 1125 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-4000770618 [1,0,1,0,0,0|1,0,0]=3 1126 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-5775312784 [1,0,1,0,0,0|1,0,0]=3 1127 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-6259961704 [1,0,1,0,0,0|1,0,0]=3 1128 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-9871958374 [1,0,1,0,0,0|1,0,0]=3 1129 B7R0.5 NCC[C@@H](O)C(=O)O MCULE-9726912888 [1,0,1,0,0,0|2,0,0]=4 1130 B7R0.5 NCC[C@H](N)C(=O)O MCULE-1745978456 [1,0,1,0,0,0|1,0,0]=3 1131 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3856066353 [1,0,1,0,0,0|1,0,0]=3 1132 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3919721317 [1,0,1,0,0,0|1,0,0]=3 1133 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5434373726 [1,0,1,0,0,0|1,0,0]=3 1134 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5992578597 [1,0,1,0,0,0|1,0,0]=3 1135 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6536533546 [1,0,1,0,0,0|1,0,0]=3 1136 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6978035806 [1,0,1,0,0,0|1,0,0]=3 1137 B7R0.5 NCC[C@H](N)C(=O)O MCULE-8762011291 [1,0,1,0,0,0|1,0,0]=3 1138 B7R0.5 NCC[C@H](N)C(=O)O MCULE-9645608127 [1,0,1,0,0,0|1,0,0]=3 1139 B7R0.5 NCC[C@H](O)C(=O)O MCULE-3296998083 [1,0,1,0,0,0|2,0,0]=4 1140 B7R0.5 NCC[C@H](O)C(=O)O MCULE-7901866019 [1,0,1,0,0,0|2,0,0]=4 1141 B7R0.5 NOC[C@H](N)C(=O)O MCULE-1050292176 [1,0,1,0,0,0|2,0,0]=4 1142 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-2388269464 [1,0,1,0,0,0|1,0,0]=3 1143 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-2456796412 [1,0,1,0,0,0|1,0,0]=3 1144 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-6229782603 [1,0,1,0,0,0|1,0,0]=3 1145 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-8123446168 [1,0,1,0,0,0|1,0,0]=3 1146 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-2370353784 [1,0,1,0,0,0|1,0,0]=3 1147 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-4861747928 [1,0,1,0,0,0|1,0,0]=3 1148 B7R0.5 N[C@@H](CCS)C(=O)O MCULE-4021115723 [1,0,1,0,0,0|1,0,0]=3 1149 B7R0.5 N[C@@H](CCS)C(=O)O MCULE-7661321953 [1,0,1,0,0,0|1,0,0]=3 1150 B7R0.5 N[C@@H](CSS)C(=O)O MCULE-3029500977 [1,0,1,0,0,0|2,0,0]=4 1151 B7R0.5 N[C@H](CCBr)C(=O)O MCULE-1975650690 [1,0,1,0,0,0|1,0,0]=3 1152 B7R0.5 N[C@H](CCBr)C(=O)O MCULE-7245104465 [1,0,1,0,0,0|1,0,0]=3 1153 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8005652100 [1,0,1,0,0,0|1,0,0]=3 1154 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8613625039 [1,0,1,0,0,0|1,0,0]=3 1155 B7R0.5 N[C@H](CCS)C(=O)O MCULE-1110046008 [1,0,1,0,0,0|1,0,0]=3 1156 B7R0.5 N[C@H](CCS)C(=O)O MCULE-7556963357 [1,0,1,0,0,0|1,0,0]=3 1157 B7R0.5 O=C(O)C(Br)CCBr MCULE-3091819269 [1,0,1,0,0,0|2,0,0]=4 1158 B7R0.5 O=C(O)C(O)CCO MCULE-9096271794 [1,0,1,0,0,0|2,0,0]=4 1159 B7R0.5 [C@H](N)(CC#C)C(=O)O MCULE-7308061694 [1,0,1,0,0,0|0,0,2]=4 1160 B7R0.11 C=CC(C)(C)CCC MCULE-7100135827 [1,0,1,0,0,0|2,0,0]=4 1161 B7R0.11 CC(N)(CO)CCF MCULE-5569472665 [1,0,1,0,0,0|1,0,1]=4 1162 B7R0.11 CCCC(C)(C)C=O MCULE-1675435662 [1,0,1,0,0,0|1,0,0]=3 1163 B7R0.11 CCCC(C)(N)C#N MCULE-6266398743 [1,0,1,0,0,0|1,0,1]=4 1164 B7R0.11 CCCC(C)(N)CN MCULE-3215432035 [1,0,1,0,0,0|1,0,1]=4 1165 B7R0.11 CCCC(C)(N)CO MCULE-9180767555 [1,0,1,0,0,0|0,0,1]=3 1166 B7R0.11 CCCC(C)(O)CO MCULE-3737630396 [1,0,1,0,0,0|1,0,1]=4 1167 B7R0.11 CCOC(C)(C)C=O MCULE-7101941149 [1,0,1,0,0,0|2,0,0]=4 1168 B7R0.11 COCC(C)(C)C=O MCULE-9091298674 [1,0,1,0,0,0|2,0,0]=4 1169 B7R0.11 COCC(C)(N)CO MCULE-2603485329 [1,0,1,0,0,0|1,0,1]=4 1170 B7R0.11 COCC(C)(N)CO MCULE-3416999559 [1,0,1,0,0,0|1,0,1]=4 1171 B7R0.13 C=C[C@@](C)(N)C(=O)O MCULE-4703482436 [1,0,1,0,0,0|0,0,2]=4 1172 B7R0.13 CC(Br)(CBr)C(=O)O MCULE-1859698457 [1,0,1,0,0,0|2,0,0]=4 1173 B7R0.13 CC(C)(CBr)C(=O)O MCULE-2715950010 [1,0,1,0,0,0|2,0,0]=4 1174 B7R0.13 CC(C)(CCl)C(=O)O MCULE-2346120215 [1,0,1,0,0,0|2,0,0]=4 1175 B7R0.13 CC(C)(CF)C(=O)O MCULE-5866229087 [1,0,1,0,0,0|2,0,0]=4 1176 B7R0.13 CC(C)(CN)C(=O)O MCULE-1750685187 [1,0,1,0,0,0|2,0,0]=4 1177 B7R0.13 CC(C)(CN)C(=O)O MCULE-7138204669 [1,0,1,0,0,0|2,0,0]=4 1178 B7R0.13 CC(C)(CO)C(=O)O MCULE-8700273400 [1,0,1,0,0,0|2,0,0]=4 1179 B7R0.13 CC(Cl)(CCl)C(=O)O MCULE-9297172670 [1,0,1,0,0,0|2,0,0]=4 1180 B7R0.13 CC(N)(CO)C(=O)O MCULE-5973815630 [1,0,1,0,0,0|1,0,0]=3 1181 B7R0.13 CC(N)(CO)C(=O)O MCULE-6877149014 [1,0,1,0,0,0|1,0,0]=3 1182 B7R0.13 CC(N)(CS)C(=O)O MCULE-4669241619 [1,0,1,0,0,0|1,0,0]=3 1183 B7R0.13 CC(N)(CS)C(=O)O MCULE-8539612367 [1,0,1,0,0,0|1,0,0]=3 1184 B7R0.13 CC(O)(CBr)C(=O)O MCULE-4224343890 [1,0,1,0,0,0|2,0,0]=4 1185 B7R0.13 CC(O)(CBr)C(=O)O MCULE-5597565903 [1,0,1,0,0,0|2,0,0]=4 1186 B7R0.13 CC(O)(CO)C(=O)O MCULE-5566145169 [1,0,1,0,0,0|2,0,0]=4 1187 B7R0.13 CCC(C)(Br)C(=O)Br MCULE-8711399189 [1,0,1,0,0,0|2,0,0]=4 1188 B7R0.13 CCC(C)(Br)C(=O)O MCULE-2564629085 [1,0,1,0,0,0|1,0,0]=3 1189 B7R0.13 CCC(C)(C)C(=O)C MCULE-3647111938 [1,0,1,0,0,0|2,0,0]=4 1190 B7R0.13 CCC(C)(C)C(=O)Cl MCULE-7950206740 [1,0,1,0,0,0|2,0,0]=4 1191 B7R0.13 CCC(C)(C)C(=O)O MCULE-2539552186 [1,0,1,0,0,0|1,0,0]=3 1192 B7R0.13 CCC(C)(N)C(=O)N MCULE-6399521661 [1,0,1,0,0,0|1,0,0]=3 1193 B7R0.13 CCC(C)(N)C(=O)O MCULE-4944905519 [1,0,1,0,0,0|0,0,0]=2 1194 B7R0.13 CCC(C)(N)C(=O)O MCULE-8684474701 [1,0,1,0,0,0|0,0,0]=2 1195 B7R0.13 CCC(C)(N)C(=O)O MCULE-9925925283 [1,0,1,0,0,0|0,0,0]=2 1196 B7R0.13 CCC(C)(O)C(=O)C MCULE-5532598723 [1,0,1,0,0,0|2,0,0]=4 1197 B7R0.13 CCC(C)(O)C(=O)Cl MCULE-2893490565 [1,0,1,0,0,0|2,0,0]=4 1198 B7R0.13 CCC(C)(O)C(=O)N MCULE-7082405574 [1,0,1,0,0,0|2,0,0]=4 1199 B7R0.13 CCC(C)(O)C(=O)O MCULE-1193062860 [1,0,1,0,0,0|1,0,0]=3 1200 B7R0.13 CCC(F)(Br)C(=O)O MCULE-8280947459 [1,0,1,0,0,0|2,0,0]=4 1201 B7R0.13 CCC(F)(F)C(=O)O MCULE-3712601150 [1,0,1,0,0,0|2,0,0]=4 1202 B7R0.13 CC[C@@](C)(N)C(=O)O MCULE-4076270773 [1,0,1,0,0,0|0,0,0]=2 1203 B7R0.13 CC[C@@](C)(N)C(=O)O MCULE-4696366287 [1,0,1,0,0,0|0,0,0]=2 1204 B7R0.13 CC[C@@](C)(N)C(=O)O MCULE-7243626223 [1,0,1,0,0,0|0,0,0]=2 1205 B7R0.13 CC[C@@](C)(N)C(=O)O MCULE-8928070809 [1,0,1,0,0,0|0,0,0]=2 1206 B7R0.13 CC[C@](C)(N)C(=O)O MCULE-1912860688 [1,0,1,0,0,0|0,0,0]=2 1207 B7R0.13 CC[C@](C)(N)C(=O)O MCULE-3601494140 [1,0,1,0,0,0|0,0,0]=2 1208 B7R0.13 CC[C@](C)(N)C(=O)O MCULE-4886902354 [1,0,1,0,0,0|0,0,0]=2 1209 B7R0.13 CC[C@](C)(N)C(=O)O MCULE-8271138085 [1,0,1,0,0,0|0,0,0]=2 1210 B7R0.13 CC[C@](C)(O)C(=O)O MCULE-3871181536 [1,0,1,0,0,0|1,0,0]=3 1211 B7R0.13 CNC(C)(C)C(=O)O MCULE-7551663553 [1,0,1,0,0,0|2,0,0]=4 1212 B7R0.13 CNC(C)(C)C(=O)O MCULE-9856262226 [1,0,1,0,0,0|2,0,0]=4 1213 B7R0.13 COC(C)(C)C(=O)O MCULE-6977996423 [1,0,1,0,0,0|2,0,0]=4 1214 B7R0.13 CSC(C)(C)C(=O)O MCULE-1032417728 [1,0,1,0,0,0|2,0,0]=4 1215 B7R0.13 C[C@@](N)(CO)C(=O)O MCULE-2146963065 [1,0,1,0,0,0|1,0,0]=3 1216 B7R0.13 C[C@@](N)(CO)C(=O)O MCULE-7622447669 [1,0,1,0,0,0|1,0,0]=3 1217 B7R0.13 C[C@@](N)(CS)C(=O)O MCULE-2627761655 [1,0,1,0,0,0|1,0,0]=3 1218 B7R0.13 C[C@@](N)(CS)C(=O)O MCULE-2887268414 [1,0,1,0,0,0|1,0,0]=3 1219 B7R0.13 C[C@@](N)(CS)C(=O)O MCULE-6190318443 [1,0,1,0,0,0|1,0,0]=3 1220 B7R0.13 C[C@@](N)(CS)C(=O)O MCULE-8033021501 [1,0,1,0,0,0|1,0,0]=3 1221 B7R0.13 C[C@@](O)(CBr)C(=O)O MCULE-2382162129 [1,0,1,0,0,0|2,0,0]=4 1222 B7R0.13 C[C@@](O)(CBr)C(=O)O MCULE-7944927738 [1,0,1,0,0,0|2,0,0]=4 1223 B7R0.13 C[C@](N)(CO)C(=O)O MCULE-2760852916 [1,0,1,0,0,0|1,0,0]=3 1224 B7R0.13 C[C@](N)(CO)C(=O)O MCULE-4734633152 [1,0,1,0,0,0|1,0,0]=3 1225 B7R0.13 C[C@](N)(CS)C(=O)O MCULE-1527310768 [1,0,1,0,0,0|1,0,0]=3 1226 B7R0.13 C[C@](N)(CS)C(=O)O MCULE-4351926054 [1,0,1,0,0,0|1,0,0]=3 1227 B7R0.13 C[C@](N)(CS)C(=O)O MCULE-6261566257 [1,0,1,0,0,0|1,0,0]=3 1228 B7R0.13 C[C@](N)(CS)C(=O)O MCULE-9035242130 [1,0,1,0,0,0|1,0,0]=3 1229 B7R0.13 C[C@](O)(CBr)C(=O)O MCULE-1143505996 [1,0,1,0,0,0|2,0,0]=4 1230 B7R0.13 C[C@](O)(CBr)C(=O)O MCULE-7898456152 [1,0,1,0,0,0|2,0,0]=4 1231 B7R0.15 C=C(C)C(CC)CC MCULE-2424136176 [1,0,1,0,0,0|2,0,0]=4 1232 B7R0.15 CC=C(CC)C(=O)O MCULE-9303879981 [1,0,1,0,0,0|0,0,2]=4 1233 B7R0.15 CCC(C#N)C(=O)O MCULE-4808497444 [1,0,1,0,0,0|1,0,1]=4 1234 B7R0.15 CCC(CC)C(=O)C MCULE-5291760485 [1,0,1,0,0,0|1,0,0]=3 1235 B7R0.15 CCC(CC)C(=O)Cl MCULE-1027070009 [1,0,1,0,0,0|1,0,0]=3 1236 B7R0.15 CCC(CC)C(=O)N MCULE-7337294425 [1,0,1,0,0,0|1,0,0]=3 1237 B7R0.15 CCC(CC)C(=O)O MCULE-5236890306 [1,0,1,0,0,0|0,0,0]=2 1238 B7R0.15 CCC(CC)C(=S)N MCULE-8027076934 [1,0,1,0,0,0|1,1,0]=4 1239 B7R0.15 CCC(CC)C(C)O MCULE-9742014522 [1,0,1,0,0,0|1,0,1]=4 1240 B7R0.15 CCC(CN)C(=O)O MCULE-3795207054 [1,0,1,0,0,0|1,0,0]=3 1241 B7R0.15 CCC(CN)C(=O)O MCULE-3929048283 [1,0,1,0,0,0|1,0,0]=3 1242 B7R0.15 CCC(CO)C(=O)O MCULE-9435802738 [1,0,1,0,0,0|1,0,0]=3 1243 B7R0.15 CCC(CO)C(=O)[O-] MCULE-4277685135 [1,0,1,0,0,0|1,0,1]=4 1244 B7R0.15 CCC(NC)C(=O)N MCULE-1925914686 [1,0,1,0,0,0|2,0,0]=4 1245 B7R0.15 CCC(NC)C(=O)N MCULE-3283265693 [1,0,1,0,0,0|2,0,0]=4 1246 B7R0.15 CCC(NC)C(=O)O MCULE-4101988968 [1,0,1,0,0,0|1,0,0]=3 1247 B7R0.15 CCC(NC)C(=O)O MCULE-4491873969 [1,0,1,0,0,0|1,0,0]=3 1248 B7R0.15 CCC(NN)C(=O)O MCULE-8823684595 [1,0,1,0,0,0|2,0,0]=4 1249 B7R0.15 CCC(NO)C(=O)O MCULE-1962461048 [1,0,1,0,0,0|2,0,0]=4 1250 B7R0.15 CCC(OC)C(=O)N MCULE-4022181907 [1,0,1,0,0,0|2,0,0]=4 1251 B7R0.15 CCC(OC)C(=O)O MCULE-2475290794 [1,0,1,0,0,0|1,0,0]=3 1252 B7R0.15 CCC(SC)C(=O)O MCULE-3373016779 [1,0,1,0,0,0|1,0,0]=3 1253 B7R0.15 CCN(CC)C(=O)C MCULE-6584128098 [1,0,1,0,0,0|2,0,0]=4 1254 B7R0.15 CCN(CC)C(=O)Cl MCULE-2162985195 [1,0,1,0,0,0|2,0,0]=4 1255 B7R0.15 CCN(CC)C(=O)N MCULE-7011051295 [1,0,1,0,0,0|2,0,0]=4 1256 B7R0.15 CC[C@@H](CN)C(=O)O MCULE-3190659348 [1,0,1,0,0,0|1,0,0]=3 1257 B7R0.15 CC[C@@H](CN)C(=O)O MCULE-5613487575 [1,0,1,0,0,0|1,0,0]=3 1258 B7R0.15 CC[C@@H](CN)C(=O)O MCULE-6726398435 [1,0,1,0,0,0|1,0,0]=3 1259 B7R0.15 CC[C@H](CN)C(=O)O MCULE-2222410753 [1,0,1,0,0,0|1,0,0]=3 1260 B7R0.15 CC[C@H](CN)C(=O)O MCULE-3153536523 [1,0,1,0,0,0|1,0,0]=3 1261 B7R0.15 CC[C@H](CO)C(=O)O MCULE-3017159819 [1,0,1,0,0,0|1,0,0]=3 1262 B7R0.15 CC[C@H](NC)C(=O)N MCULE-6927041915 [1,0,1,0,0,0|2,0,0]=4 1263 B7R0.15 CC[C@H](NC)C(=O)N MCULE-8566282898 [1,0,1,0,0,0|2,0,0]=4 1264 B7R0.15 CC[C@H](NC)C(=O)N MCULE-8659413445 [1,0,1,0,0,0|2,0,0]=4 1265 B7R0.15 CC[C@H](NC)C(=O)N MCULE-8863599251 [1,0,1,0,0,0|2,0,0]=4 1266 B7R0.15 CNC(CO)C(=O)O MCULE-1439435474 [1,0,1,0,0,0|2,0,0]=4 1267 B7R0.15 CNC(CO)C(=O)O MCULE-7611211207 [1,0,1,0,0,0|2,0,0]=4 1268 B7R0.15 CNC(CS)C(=O)O MCULE-4817727684 [1,0,1,0,0,0|2,0,0]=4 1269 B7R0.15 CNC(CS)C(=O)O MCULE-5741984055 [1,0,1,0,0,0|2,0,0]=4 1270 B7R0.15 CN[C@@H](CN)C(=O)O MCULE-3196852022 [1,0,1,0,0,0|2,0,0]=4 1271 B7R0.15 CN[C@@H](CN)C(=O)O MCULE-3690177999 [1,0,1,0,0,0|2,0,0]=4 1272 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-3320307572 [1,0,1,0,0,0|2,0,0]=4 1273 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-5844994620 [1,0,1,0,0,0|2,0,0]=4 1274 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-6293854138 [1,0,1,0,0,0|2,0,0]=4 1275 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-6463850730 [1,0,1,0,0,0|2,0,0]=4 1276 B7R0.15 CN[C@@H](CS)C(=O)O MCULE-3043115433 [1,0,1,0,0,0|2,0,0]=4 1277 B7R0.15 CN[C@@H](CS)C(=O)O MCULE-8814760080 [1,0,1,0,0,0|2,0,0]=4 1278 B7R0.15 CN[C@H](CO)C(=O)O MCULE-1791141182 [1,0,1,0,0,0|2,0,0]=4 1279 B7R0.15 CN[C@H](CO)C(=O)O MCULE-9346314213 [1,0,1,0,0,0|2,0,0]=4 1280 B7R0.15 COC(CBr)C(=O)O MCULE-5528365617 [1,0,1,0,0,0|2,0,0]=4 1281 B7R0.15 COC(CN)C(=O)O MCULE-1561937449 [1,0,1,0,0,0|2,0,0]=4 1282 B7R0.15 COC(CN)C(=O)O MCULE-7501291426 [1,0,1,0,0,0|2,0,0]=4 1283 B7R0.15 COC(OC)C(=O)O MCULE-3341727181 [1,0,1,0,0,0|2,0,0]=4 1284 B7R0.15 CO[C@@H](CN)C(=O)O MCULE-5536624827 [1,0,1,0,0,0|2,0,0]=4 1285 B7R0.15 CO[C@@H](CN)C(=O)O MCULE-6198841067 [1,0,1,0,0,0|2,0,0]=4 1286 B7R0.15 NCC(CO)C(=O)O MCULE-5510878508 [1,0,1,0,0,0|2,0,0]=4 1287 B7R0.15 NCC(CO)C(=O)O MCULE-9991285445 [1,0,1,0,0,0|2,0,0]=4 1288 B7R0.15 NC[C@@H](CO)C(=O)O MCULE-4607648703 [1,0,1,0,0,0|2,0,0]=4 1289 B7R0.15 NC[C@@H](CO)C(=O)O MCULE-8943978569 [1,0,1,0,0,0|2,0,0]=4 1290 B7R0.15 NC[C@H](CO)C(=O)O MCULE-8459713640 [1,0,1,0,0,0|2,0,0]=4 1291 B7R0.15 O=C(O)C(CBr)CBr MCULE-5180730979 [1,0,1,0,0,0|2,0,0]=4 1292 B7R0.15 O=C(O)C(CS)CS MCULE-3175815620 [1,0,1,0,0,0|2,0,0]=4 1293 B7R0.18 C#CC(N)(CC)CC MCULE-3723234977 [1,0,1,0,0,0|1,0,1]=4 1294 B7R0.18 C#CC(N)(CC)CC MCULE-5947266532 [1,0,1,0,0,0|1,0,1]=4 1295 B7R0.18 CCC(C)(C=O)CC MCULE-8427357130 [1,0,1,0,0,0|1,0,0]=3 1296 B7R0.18 CCC(C)(C=O)OC MCULE-8307303148 [1,0,1,0,0,0|2,0,0]=4 1297 B7R0.18 CCC(N)(C#N)CC MCULE-4136160537 [1,0,1,0,0,0|1,0,1]=4 1298 B7R0.18 CCC(N)(CC)CC MCULE-4252517795 [1,0,1,0,0,0|1,0,1]=4 1299 B7R0.18 CCC(N)(CC)CC MCULE-5828916987 [1,0,1,0,0,0|1,0,1]=4 1300 B7R0.18 CCC(N)(CC)CN MCULE-7290366649 [1,0,1,0,0,0|1,0,1]=4 1301 B7R0.18 CCC(N)(CC)CO MCULE-7822189565 [1,0,1,0,0,0|0,0,1]=3 1302 B7R0.18 CCC(N)(CO)CO MCULE-6627376273 [1,0,1,0,0,0|1,0,1]=4 1303 B7R0.18 CCC(O)(CC)CO MCULE-5622837545 [1,0,1,0,0,0|1,0,1]=4 1304 B7R1.1 BrCC1CCCC1 MCULE-2472505847 [2,0,0,0,0,0|1,0,1]=4 1305 B7R1.1 C#CC1CCCC1 MCULE-2058689962 [2,0,0,0,0,0|1,0,1]=4 1306 B7R1.1 C1(CCCN1)CO MCULE-7277085817 [2,0,0,0,0,0|1,0,1]=4 1307 B7R1.1 C1(CCNC1)CO MCULE-7897000858 [2,0,0,0,0,0|1,0,1]=4 1308 B7R1.1 C1(CCNC1)CO MCULE-9939548436 [2,0,0,0,0,0|1,0,1]=4 1309 B7R1.1 C1(CCOC1)CO MCULE-2350780678 [2,0,0,0,0,0|1,0,1]=4 1310 B7R1.1 C=CC1CCCC1 MCULE-6144532155 [2,0,0,0,0,0|1,0,0]=3 1311 B7R1.1 C=CC1CCCN1 MCULE-5736974496 [2,0,0,0,0,0|2,0,0]=4 1312 B7R1.1 C=CC1CCCN1 MCULE-7626074228 [2,0,0,0,0,0|2,0,0]=4 1313 B7R1.1 C=CC1CCNC1 MCULE-7703785367 [2,0,0,0,0,0|2,0,0]=4 1314 B7R1.1 CC=C1CCCC1 MCULE-9763131004 [2,0,0,0,0,0|1,0,1]=4 1315 B7R1.1 CCC1CCCC1 MCULE-1974854934 [2,0,0,0,0,0|1,0,1]=4 1316 B7R1.1 CNC1CCCC1 MCULE-1391832163 [2,0,0,0,0,0|2,0,0]=4 1317 B7R1.1 CNC1CCCC1 MCULE-8242451793 [2,0,0,0,0,0|2,0,0]=4 1318 B7R1.1 COC1CCCC1 MCULE-7539347010 [2,0,0,0,0,0|2,0,0]=4 1319 B7R1.1 ClCC1CCCC1 MCULE-7652893931 [2,0,0,0,0,0|1,0,1]=4 1320 B7R1.1 ICC1CCCC1 MCULE-5940886897 [2,0,0,0,0,0|1,0,1]=4 1321 B7R1.1 N#CC1CCCC1 MCULE-1484517612 [2,0,0,0,0,0|1,0,1]=4 1322 B7R1.1 NCC1CCCC1 MCULE-3629796849 [2,0,0,0,0,0|1,0,1]=4 1323 B7R1.1 NCC1CCCC1 MCULE-8453900433 [2,0,0,0,0,0|1,0,1]=4 1324 B7R1.1 NNC1CCCC1 MCULE-1363058529 [2,0,0,0,0,0|2,0,0]=4 1325 B7R1.1 NNC1CCCC1 MCULE-2803402819 [2,0,0,0,0,0|2,0,0]=4 1326 B7R1.1 NNC1CCCC1 MCULE-5556380186 [2,0,0,0,0,0|2,0,0]=4 1327 B7R1.1 NOC1CCCC1 MCULE-1504814106 [2,0,0,0,0,0|2,0,0]=4 1328 B7R1.1 NOC1CCCC1 MCULE-1973418119 [2,0,0,0,0,0|2,0,0]=4 1329 B7R1.1 O=CC1=CCCC1 MCULE-2270030217 [2,0,0,0,0,0|0,0,2]=4 1330 B7R1.1 O=CC1CC=CC1 MCULE-1563456893 [2,0,0,0,0,0|0,0,2]=4 1331 B7R1.1 O=CC1CCCC1 MCULE-4938681495 [2,0,0,0,0,0|0,0,0]=2 1332 B7R1.1 O=CC1CCCO1 MCULE-4587605451 [2,0,0,0,0,0|1,0,0]=3 1333 B7R1.1 O=CC1CCNC1 MCULE-5188223111 [2,0,0,0,0,0|1,0,0]=3 1334 B7R1.1 O=CC1CCOC1 MCULE-9515567606 [2,0,0,0,0,0|1,0,0]=3 1335 B7R1.1 O=CC1CCSC1 MCULE-1282848613 [2,0,0,0,0,0|1,0,0]=3 1336 B7R1.1 O=CN1CCCC1 MCULE-1922854302 [2,0,0,0,0,0|1,0,0]=3 1337 B7R1.1 O=C[C@@H]1CCOC1 MCULE-5181257964 [2,0,0,0,0,0|1,0,0]=3 1338 B7R1.1 O=C[C@H]1CCOC1 MCULE-4532427366 [2,0,0,0,0,0|1,0,0]=3 1339 B7R1.1 O=NN1CCCC1 MCULE-8449068120 [2,0,0,0,0,0|2,0,0]=4 1340 B7R1.1 OCC1CCCC1 MCULE-2985338933 [2,0,0,0,0,0|0,0,1]=3 1341 B7R1.1 OCC1CCCN1 MCULE-1016922679 [2,0,0,0,0,0|1,0,1]=4 1342 B7R1.1 OCC1CCCN1 MCULE-8224535891 [2,0,0,0,0,0|1,0,1]=4 1343 B7R1.1 OCC1CCCO1 MCULE-5877114547 [2,0,0,0,0,0|1,0,1]=4 1344 B7R1.1 OCC1CCCO1 MCULE-5884880244 [2,0,0,0,0,0|1,0,1]=4 1345 B7R1.1 OCC1CCCS1 MCULE-6106081414 [2,0,0,0,0,0|1,0,1]=4 1346 B7R1.1 OCC1CCNC1 MCULE-7883947611 [2,0,0,0,0,0|1,0,1]=4 1347 B7R1.1 OCC1CCNC1 MCULE-9689521155 [2,0,0,0,0,0|1,0,1]=4 1348 B7R1.1 OCC1CCOC1 MCULE-8926405046 [2,0,0,0,0,0|1,0,1]=4 1349 B7R1.1 OCC1CCSC1 MCULE-2226132734 [2,0,0,0,0,0|1,0,1]=4 1350 B7R1.1 OC[C@@H]1CCCN1 MCULE-1791547752 [2,0,0,0,0,0|1,0,1]=4 1351 B7R1.1 OC[C@@H]1CCCN1 MCULE-6448856585 [2,0,0,0,0,0|1,0,1]=4 1352 B7R1.1 OC[C@@H]1CCCN1 MCULE-7214801659 [2,0,0,0,0,0|1,0,1]=4 1353 B7R1.1 OC[C@@H]1CCCN1 MCULE-7248451975 [2,0,0,0,0,0|1,0,1]=4 1354 B7R1.1 OC[C@@H]1CCCO1 MCULE-1788377708 [2,0,0,0,0,0|1,0,1]=4 1355 B7R1.1 OC[C@@H]1CCCO1 MCULE-3533553137 [2,0,0,0,0,0|1,0,1]=4 1356 B7R1.1 OC[C@@H]1CCNC1 MCULE-3126404140 [2,0,0,0,0,0|1,0,1]=4 1357 B7R1.1 OC[C@@H]1CCNC1 MCULE-4876549629 [2,0,0,0,0,0|1,0,1]=4 1358 B7R1.1 OC[C@@H]1CCNC1 MCULE-7050415145 [2,0,0,0,0,0|1,0,1]=4 1359 B7R1.1 OC[C@@H]1CCNC1 MCULE-8785146407 [2,0,0,0,0,0|1,0,1]=4 1360 B7R1.1 OC[C@@H]1CCOC1 MCULE-2004616524 [2,0,0,0,0,0|1,0,1]=4 1361 B7R1.1 OC[C@@H]1CCOC1 MCULE-3801423698 [2,0,0,0,0,0|1,0,1]=4 1362 B7R1.1 OC[C@H]1CCCN1 MCULE-1266532697 [2,0,0,0,0,0|1,0,1]=4 1363 B7R1.1 OC[C@H]1CCCN1 MCULE-1724166794 [2,0,0,0,0,0|1,0,1]=4 1364 B7R1.1 OC[C@H]1CCCN1 MCULE-7513431964 [2,0,0,0,0,0|1,0,1]=4 1365 B7R1.1 OC[C@H]1CCCN1 MCULE-8398083695 [2,0,0,0,0,0|1,0,1]=4 1366 B7R1.1 OC[C@H]1CCCO1 MCULE-3501680239 [2,0,0,0,0,0|1,0,1]=4 1367 B7R1.1 OC[C@H]1CCCO1 MCULE-4925106568 [2,0,0,0,0,0|1,0,1]=4 1368 B7R1.1 OC[C@H]1CCNC1 MCULE-3909770597 [2,0,0,0,0,0|1,0,1]=4 1369 B7R1.1 OC[C@H]1CCNC1 MCULE-5006682123 [2,0,0,0,0,0|1,0,1]=4 1370 B7R1.1 OC[C@H]1CCNC1 MCULE-8265382423 [2,0,0,0,0,0|1,0,1]=4 1371 B7R1.1 OC[C@H]1CCNC1 MCULE-8371969680 [2,0,0,0,0,0|1,0,1]=4 1372 B7R1.1 OC[C@H]1CCOC1 MCULE-4226412289 [2,0,0,0,0,0|1,0,1]=4 1373 B7R1.1 OC[C@H]1CCOC1 MCULE-9076004118 [2,0,0,0,0,0|1,0,1]=4 1374 B7R1.1 ON=C1CCCC1 MCULE-9338449832 [2,0,0,0,0,0|1,0,1]=4 1375 B7R1.1 ONC1CCCC1 MCULE-1143510043 [2,0,0,0,0,0|1,0,0]=3 1376 B7R1.1 ONC1CCCC1 MCULE-7548854169 [2,0,0,0,0,0|1,0,0]=3 1377 B7R1.1 SCC1CCCC1 MCULE-7973872166 [2,0,0,0,0,0|0,1,1]=4 1378 B7R1.14 CC1(CCCC1)Br MCULE-8706490914 [2,0,0,0,0,0|1,0,1]=4 1379 B7R1.14 CC1(CCCC1)N MCULE-1696024032 [2,0,0,0,0,0|0,0,1]=3 1380 B7R1.14 CC1(CCCC1)N MCULE-7897960444 [2,0,0,0,0,0|0,0,1]=3 1381 B7R1.14 CC1(CCCC1)O MCULE-1425529053 [2,0,0,0,0,0|1,0,0]=3 1382 B7R1.14 CC1(CCNC1)N MCULE-9317786482 [2,0,0,0,0,0|1,0,1]=4 1383 B7R1.14 CC1(CCNC1)N MCULE-9638120938 [2,0,0,0,0,0|1,0,1]=4 1384 B7R1.14 CC1(CCNC1)O MCULE-1812572207 [2,0,0,0,0,0|2,0,0]=4 1385 B7R1.14 CC1(CCNC1)O MCULE-3978790995 [2,0,0,0,0,0|2,0,0]=4 1386 B7R1.14 CC1(CCNC1)O MCULE-6355817754 [2,0,0,0,0,0|2,0,0]=4 1387 B7R1.14 CC1(CCNC1)O MCULE-7199660654 [2,0,0,0,0,0|2,0,0]=4 1388 B7R1.14 CC1(CCOC1)N MCULE-1997756007 [2,0,0,0,0,0|1,0,1]=4 1389 B7R1.14 CC1(CCOC1)N MCULE-5807249895 [2,0,0,0,0,0|1,0,1]=4 1390 B7R1.14 CC1(CCOC1)O MCULE-5065022086 [2,0,0,0,0,0|2,0,0]=4 1391 B7R1.14 CC1(CCSC1)O MCULE-3138867143 [2,0,0,0,0,0|2,0,0]=4 1392 B7R1.14 C[C@@]1(CCNC1)N MCULE-3652011553 [2,0,0,0,0,0|1,0,1]=4 1393 B7R1.14 C[C@@]1(CCNC1)O MCULE-2185266890 [2,0,0,0,0,0|2,0,0]=4 1394 B7R1.14 C[C@@]1(CCNC1)O MCULE-4472850857 [2,0,0,0,0,0|2,0,0]=4 1395 B7R1.14 C[C@@]1(CCNC1)O MCULE-7216590589 [2,0,0,0,0,0|2,0,0]=4 1396 B7R1.14 C[C@@]1(CCNC1)O MCULE-9031112405 [2,0,0,0,0,0|2,0,0]=4 1397 B7R1.14 C[C@]1(CCNC1)O MCULE-2513078981 [2,0,0,0,0,0|2,0,0]=4 1398 B7R1.14 C[C@]1(CCNC1)O MCULE-2837064957 [2,0,0,0,0,0|2,0,0]=4 1399 B7R1.14 C[C@]1(CCNC1)O MCULE-5133863014 [2,0,0,0,0,0|2,0,0]=4 1400 B7R1.14 C[C@]1(CCNC1)O MCULE-5887726834 [2,0,0,0,0,0|2,0,0]=4 1401 B7R1.14 N=S1(=O)CCCC1 MCULE-6922708158 [2,0,0,0,0,0|1,0,1]=4 1402 B7R1.14 O=P1(CCCC1)Cl MCULE-9877294162 [2,0,0,0,0,0|2,0,0]=4 1403 B7R1.14 O=S1(=O)CCCC1 MCULE-3506686856 [2,0,0,0,0,0|2,0,0]=4 1404 B9R0.3 CCCCC(N)P(=O)(O)O MCULE-6746003648 [0,1,1,0,0,0|1,0,0]=3 1405 B9R0.6 CCCC(C)C(N)C(=O)O MCULE-3481285649 [0,1,1,0,0,0|0,0,0]=2 1406 B9R0.6 CCCC(N)C(O)C(=O)N MCULE-3877102152 [0,1,1,0,0,0|2,0,0]=4 1407 B9R0.6 CCCC(N)C(O)C(=O)N MCULE-5998533545 [0,1,1,0,0,0|2,0,0]=4 1408 B9R0.6 CCCC(O)C(N)C(=O)O MCULE-5391337444 [0,1,1,0,0,0|0,0,0]=2 1409 B9R0.6 CCC[C@@H](N)C(O)C(=O)N MCULE-1873801018 [0,1,1,0,0,0|2,0,0]=4 1410 B9R0.6 CCC[C@@H](N)C(O)C(=O)N MCULE-5086135715 [0,1,1,0,0,0|2,0,0]=4 1411 B9R0.6 CCC[C@@H](N)[C@@H](O)C(=O)O MCULE-2918610954 [0,1,1,0,0,0|1,0,0]=3 1412 B9R0.6 CCC[C@@H](N)[C@H](O)C(=O)O MCULE-1958502407 [0,1,1,0,0,0|1,0,0]=3 1413 B9R0.6 CCC[C@H](N)C(O)C(=O)O MCULE-8649182139 [0,1,1,0,0,0|1,0,0]=3 1414 B9R0.6 COCC(C)C(C)C(=O)O MCULE-8168198082 [0,1,1,0,0,0|2,0,0]=4 1415 B9R0.7 C(N)(CCC(=O)[O-])C(=O)O MCULE-5359010340 [0,1,1,0,0,0|1,0,1]=4 1416 B9R0.7 CC(=CCC(N)C(=O)O)C MCULE-9020150203 [0,1,1,0,0,0|0,0,2]=4 1417 B9R0.7 CC(=CC[C@@H](N)C(=O)O)C MCULE-7822845293 [0,1,1,0,0,0|0,0,2]=4 1418 B9R0.7 CC(=CC[C@H](N)C(=O)O)C MCULE-6208618845 [0,1,1,0,0,0|0,0,2]=4 1419 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-4063734192 [0,1,1,0,0,0|1,0,1]=4 1420 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-6252379108 [0,1,1,0,0,0|1,0,1]=4 1421 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-6448707862 [0,1,1,0,0,0|1,0,1]=4 1422 B9R0.7 CC(=O)OCC(N)C(=O)O MCULE-8255582994 [0,1,1,0,0,0|1,0,1]=4 1423 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-2377153563 [0,1,1,0,0,0|1,0,1]=4 1424 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-2469027462 [0,1,1,0,0,0|1,0,1]=4 1425 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-4796013964 [0,1,1,0,0,0|1,0,1]=4 1426 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O MCULE-9408226443 [0,1,1,0,0,0|1,0,1]=4 1427 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-1751945139 [0,1,1,0,0,0|1,0,1]=4 1428 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-3822387628 [0,1,1,0,0,0|1,0,1]=4 1429 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-6052634347 [0,1,1,0,0,0|1,0,1]=4 1430 B9R0.7 CC(=O)OC[C@H](N)C(=O)O MCULE-6909390355 [0,1,1,0,0,0|1,0,1]=4 1431 B9R0.7 CC(=O)SCC(N)C(=O)O MCULE-2891442308 [0,1,1,0,0,0|1,0,1]=4 1432 B9R0.7 CC(=O)SCC(N)C(=O)O MCULE-4623851451 [0,1,1,0,0,0|1,0,1]=4 1433 B9R0.7 CC(=O)SC[C@H](N)C(=O)O MCULE-1698125004 [0,1,1,0,0,0|1,0,1]=4 1434 B9R0.7 CC(=O)SC[C@H](N)C(=O)O MCULE-6046193594 [0,1,1,0,0,0|1,0,1]=4 1435 B9R0.7 CC(C)CCC(C)C(=O)O MCULE-8295273403 [0,1,1,0,0,0|1,0,0]=3 1436 B9R0.7 CC(C)CCC(F)C(=O)O MCULE-1179378327 [0,1,1,0,0,0|1,0,0]=3 1437 B9R0.7 CC(C)CCC(N)C(=O)O MCULE-1719574078 [0,1,1,0,0,0|0,0,0]=2 1438 B9R0.7 CC(C)CCC(N)C(=O)O MCULE-7494642848 [0,1,1,0,0,0|0,0,0]=2 1439 B9R0.7 CC(C)CCC(N)C(=O)O MCULE-7934601656 [0,1,1,0,0,0|0,0,0]=2 1440 B9R0.7 CC(C)CC[C@@H](N)C(=O)O MCULE-3738071496 [0,1,1,0,0,0|0,0,0]=2 1441 B9R0.7 CC(C)CC[C@@H](N)C(=O)O MCULE-6646418122 [0,1,1,0,0,0|0,0,0]=2 1442 B9R0.7 CC(C)CC[C@H](N)C(=O)O MCULE-1152840736 [0,1,1,0,0,0|0,0,0]=2 1443 B9R0.7 CC(C)CC[C@H](N)C(=O)O MCULE-2931632246 [0,1,1,0,0,0|0,0,0]=2 1444 B9R0.7 CC(C)CC[C@H](N)C(=O)O MCULE-6463365282 [0,1,1,0,0,0|0,0,0]=2 1445 B9R0.7 CC(C)CC[C@H](N)C(=O)O MCULE-7649870164 [0,1,1,0,0,0|0,0,0]=2 1446 B9R0.7 CC(C)COC(C)C(=O)O MCULE-1125012565 [0,1,1,0,0,0|2,0,0]=4 1447 B9R0.7 CC(C)OC[C@H](N)C(=O)O MCULE-1578143302 [0,1,1,0,0,0|1,0,0]=3 1448 B9R0.7 CC(C)SCC(N)C(=O)O MCULE-2486867814 [0,1,1,0,0,0|1,0,0]=3 1449 B9R0.7 CC(CCN(C)C)C(=O)O MCULE-1367979399 [0,1,1,0,0,0|2,0,0]=4 1450 B9R0.7 CC(CCN(C)C)C(=O)O MCULE-7599864369 [0,1,1,0,0,0|2,0,0]=4 1451 B9R0.7 CN(C)CCC(N)C(=O)O MCULE-8874115334 [0,1,1,0,0,0|1,0,0]=3 1452 B9R0.7 CN(C)CCC(O)C(=O)O MCULE-7034022816 [0,1,1,0,0,0|2,0,0]=4 1453 B9R0.7 CN(C)CC[C@H](N)C(=O)O MCULE-7859718042 [0,1,1,0,0,0|1,0,0]=3 1454 B9R0.7 CN(C)CC[C@H](N)C(=O)O MCULE-7883746105 [0,1,1,0,0,0|1,0,0]=3 1455 B9R0.7 CS(=O)CCC(N)C(=O)O MCULE-2810141962 [0,1,1,0,0,0|1,0,0]=3 1456 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-3901672243 [0,1,1,0,0,0|1,0,0]=3 1457 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-3967415982 [0,1,1,0,0,0|1,0,0]=3 1458 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-6481206030 [0,1,1,0,0,0|1,0,0]=3 1459 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O MCULE-6787807393 [0,1,1,0,0,0|1,0,0]=3 1460 B9R0.7 CS(=O)CC[C@H](N)C(=O)O MCULE-1832499155 [0,1,1,0,0,0|1,0,0]=3 1461 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-1226059178 [0,1,1,0,0,0|1,0,0]=3 1462 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-2190014040 [0,1,1,0,0,0|1,0,0]=3 1463 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-5712047901 [0,1,1,0,0,0|1,0,0]=3 1464 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-6819299220 [0,1,1,0,0,0|1,0,0]=3 1465 B9R0.7 C[S+](C)CCC(N)C(=O)O MCULE-9030836699 [0,1,1,0,0,0|1,0,0]=3 1466 B9R0.7 C[S+](C)CCC(N)C(=O)[O-] MCULE-6795236117 [0,1,1,0,0,0|1,0,1]=4 1467 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O MCULE-4590755313 [0,1,1,0,0,0|1,0,0]=3 1468 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O MCULE-5450461647 [0,1,1,0,0,0|1,0,0]=3 1469 B9R0.7 C[S+](C)CC[C@@H](N)C(=O)O MCULE-6366850762 [0,1,1,0,0,0|1,0,0]=3 1470 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-1022001641 [0,1,1,0,0,0|1,0,0]=3 1471 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-2164538601 [0,1,1,0,0,0|1,0,0]=3 1472 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-4494909498 [0,1,1,0,0,0|1,0,0]=3 1473 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-6858051266 [0,1,1,0,0,0|1,0,0]=3 1474 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-7758450855 [0,1,1,0,0,0|1,0,0]=3 1475 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O MCULE-8877605547 [0,1,1,0,0,0|1,0,0]=3 1476 B9R0.7 NC(=O)CCC(N)C(=O)O MCULE-1418655814 [0,1,1,0,0,0|1,0,1]=4 1477 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O MCULE-7870225738 [0,1,1,0,0,0|1,0,1]=4 1478 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O MCULE-9711806580 [0,1,1,0,0,0|1,0,1]=4 1479 B9R0.7 NC(=O)CC[C@H](N)C(=O)O MCULE-7234937947 [0,1,1,0,0,0|1,0,1]=4 1480 B9R0.7 NC(=O)CC[C@H](N)C(=O)O MCULE-8718820108 [0,1,1,0,0,0|1,0,1]=4 1481 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-4203507491 [0,1,1,0,0,0|1,0,1]=4 1482 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-4600207704 [0,1,1,0,0,0|1,0,1]=4 1483 B9R0.7 NC(CCC(=O)O)C(=O)O MCULE-8107432729 [0,1,1,0,0,0|1,0,1]=4 1484 B9R0.7 NC(CCC(=O)[O-])C(=O)O MCULE-5012956158 [0,1,1,0,0,0|1,0,1]=4 1485 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-6077524166 [0,1,1,0,0,0|1,0,1]=4 1486 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7201150413 [0,1,1,0,0,0|1,0,1]=4 1487 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7328895736 [0,1,1,0,0,0|1,0,1]=4 1488 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-7782530856 [0,1,1,0,0,0|1,0,1]=4 1489 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O MCULE-9447720868 [0,1,1,0,0,0|1,0,1]=4 1490 B9R0.7 N[C@@H](CCC(=O)[O-])C(=O)O MCULE-2315425063 [0,1,1,0,0,0|1,0,1]=4 1491 B9R0.7 N[C@@H](CCC(=O)[O-])C(=O)O MCULE-4367391999 [0,1,1,0,0,0|1,0,1]=4 1492 B9R0.7 N[C@H](CCC(=O)O)C(=O)O MCULE-5884691541 [0,1,1,0,0,0|1,0,1]=4 1493 B9R0.7 N[C@H](CCC(=O)O)C(=O)O MCULE-6647836957 [0,1,1,0,0,0|1,0,1]=4 1494 B9R0.7 P(=O)(O)CC[C@H](N)C(=O)O MCULE-2875179933 [0,1,1,0,0,0|2,0,0]=4 1495 B9R0.7 [C@H](N)(CCC(=O)O)C(=O)O MCULE-8526087521 [0,1,1,0,0,0|1,0,1]=4 1496 B9R0.7 [C@H](N)(CCS(=O)C)C(=O)O MCULE-2995684872 [0,1,1,0,0,0|1,0,0]=3 1497 B9R0.8 C(N)(CCCN)C(=O)OC MCULE-3671687930 [0,1,1,0,0,0|1,0,0]=3 1498 B9R0.8 C(N)(CCCN)C(=O)OC MCULE-7038280539 [0,1,1,0,0,0|1,0,0]=3 1499 B9R0.8 C=CCCC(N)C(=O)OC MCULE-9372602528 [0,1,1,0,0,0|0,0,2]=4 1500 B9R0.8 C=CCCC(N)C(=O)OC MCULE-9719986161 [0,1,1,0,0,0|0,0,2]=4 1501 B9R0.8 CC#CCC(N)C(=O)OC MCULE-5322994663 [0,1,1,0,0,0|0,0,2]=4 1502 B9R0.8 CCCCC(Br)C(=O)OC MCULE-4103872528 [0,1,1,0,0,0|1,0,0]=3 1503 B9R0.8 CCCCC(N)C(=O)OC MCULE-1230899944 [0,1,1,0,0,0|0,0,0]=2 1504 B9R0.8 CCCCC(N)C(=O)OC MCULE-8455548704 [0,1,1,0,0,0|0,0,0]=2 1505 B9R0.8 CCCCC(S)C(=O)OC MCULE-3094220494 [0,1,1,0,0,0|1,0,0]=3 1506 B9R0.8 CCCC[C@@H](N)C(=O)OC MCULE-3834316771 [0,1,1,0,0,0|0,0,0]=2 1507 B9R0.8 CCCC[C@@H](N)C(=O)OC MCULE-4089310144 [0,1,1,0,0,0|0,0,0]=2 1508 B9R0.8 CCCC[C@@H](N)C(=O)OC MCULE-8244695684 [0,1,1,0,0,0|0,0,0]=2 1509 B9R0.8 CCCC[C@@H](N)C(=O)OC MCULE-8512513571 [0,1,1,0,0,0|0,0,0]=2 1510 B9R0.8 CCCC[C@H](N)C(=O)OC MCULE-1675626630 [0,1,1,0,0,0|0,0,0]=2 1511 B9R0.8 CCCC[C@H](N)C(=O)OC MCULE-3850807479 [0,1,1,0,0,0|0,0,0]=2 1512 B9R0.8 CCCC[C@H](N)C(=O)OC MCULE-6677668966 [0,1,1,0,0,0|0,0,0]=2 1513 B9R0.8 CCCC[C@H](N)C(=O)OC MCULE-9798725861 [0,1,1,0,0,0|0,0,0]=2 1514 B9R0.8 CCCNC(C)C(=O)OC MCULE-6800510102 [0,1,1,0,0,0|2,0,0]=4 1515 B9R0.8 CCNCC(C)C(=O)OC MCULE-6455791716 [0,1,1,0,0,0|2,0,0]=4 1516 B9R0.8 CNC(=O)[C@@H](N)CCSC MCULE-3612140892 [0,1,1,0,0,0|2,0,0]=4 1517 B9R0.8 CNC(=O)[C@@H](N)CCSC MCULE-5468588566 [0,1,1,0,0,0|2,0,0]=4 1518 B9R0.8 COC(=O)C(Br)CCCBr MCULE-5582617448 [0,1,1,0,0,0|2,0,0]=4 1519 B9R0.8 COC(=O)C(Br)CCCCl MCULE-9987054323 [0,1,1,0,0,0|2,0,0]=4 1520 B9R0.8 COC(=O)C(N)CCCN MCULE-6521555168 [0,1,1,0,0,0|1,0,0]=3 1521 B9R0.8 COC(=O)C(N)CCSC MCULE-4738091605 [0,1,1,0,0,0|1,0,0]=3 1522 B9R0.8 COC(=O)C(N)CCSC MCULE-7178342109 [0,1,1,0,0,0|1,0,0]=3 1523 B9R0.8 COC(=O)C(O)CCCBr MCULE-5891554758 [0,1,1,0,0,0|2,0,0]=4 1524 B9R0.8 COC(=O)C(O)CCSC MCULE-3114435129 [0,1,1,0,0,0|2,0,0]=4 1525 B9R0.8 COC(=O)[C@@H](N)CCCN MCULE-3351048688 [0,1,1,0,0,0|1,0,0]=3 1526 B9R0.8 COC(=O)[C@@H](N)CCCN MCULE-4548438838 [0,1,1,0,0,0|1,0,0]=3 1527 B9R0.8 COC(=O)[C@@H](N)CCCN MCULE-7062535738 [0,1,1,0,0,0|1,0,0]=3 1528 B9R0.8 COC(=O)[C@@H](N)CCCN MCULE-9355659419 [0,1,1,0,0,0|1,0,0]=3 1529 B9R0.8 COC(=O)[C@@H](N)CCSC MCULE-3027295067 [0,1,1,0,0,0|1,0,0]=3 1530 B9R0.8 COC(=O)[C@@H](N)CCSC MCULE-4484402389 [0,1,1,0,0,0|1,0,0]=3 1531 B9R0.8 COC(=O)[C@@H](N)CCSC MCULE-4509945770 [0,1,1,0,0,0|1,0,0]=3 1532 B9R0.8 COC(=O)[C@@H](N)CCSC MCULE-8108341265 [0,1,1,0,0,0|1,0,0]=3 1533 B9R0.8 COC(=O)[C@H](N)CCCN MCULE-2625316815 [0,1,1,0,0,0|1,0,0]=3 1534 B9R0.8 COC(=O)[C@H](N)CCCN MCULE-4715960090 [0,1,1,0,0,0|1,0,0]=3 1535 B9R0.8 COC(=O)[C@H](N)CCCN MCULE-4992114876 [0,1,1,0,0,0|1,0,0]=3 1536 B9R0.8 COC(=O)[C@H](N)CCCN MCULE-9745337815 [0,1,1,0,0,0|1,0,0]=3 1537 B9R0.8 COC(=O)[C@H](N)CCSC MCULE-2197835132 [0,1,1,0,0,0|1,0,0]=3 1538 B9R0.8 COC(=O)[C@H](N)CCSC MCULE-2663127706 [0,1,1,0,0,0|1,0,0]=3 1539 B9R0.8 COC(=O)[C@H](N)CCSC MCULE-6414786546 [0,1,1,0,0,0|1,0,0]=3 1540 B9R0.8 COC(=O)[C@H](N)CCSC MCULE-7616587728 [0,1,1,0,0,0|1,0,0]=3 1541 B9R0.8 COCCC(N)C(=O)OC MCULE-3540159086 [0,1,1,0,0,0|1,0,0]=3 1542 B9R0.8 COCCC(N)C(=O)OC MCULE-5893511237 [0,1,1,0,0,0|1,0,0]=3 1543 B9R0.13 CCC(CCOC)C(=O)O MCULE-9329790915 [0,1,1,0,0,0|2,0,0]=4 1544 B9R0.13 CCCCC(CC)C(=O)C MCULE-6594996935 [0,1,1,0,0,0|2,0,0]=4 1545 B9R0.13 CCCCC(CC)C(=O)Cl MCULE-5129133966 [0,1,1,0,0,0|2,0,0]=4 1546 B9R0.13 CCCCC(CC)C(=O)N MCULE-6741704780 [0,1,1,0,0,0|2,0,0]=4 1547 B9R0.13 CCCCC(CC)C(=O)O MCULE-5686478683 [0,1,1,0,0,0|1,0,0]=3 1548 B9R0.13 CCCCC(CC)C(=O)[O-] MCULE-6405828438 [0,1,1,0,0,0|1,0,1]=4 1549 B9R0.13 CCCCC(CC)C(=O)[O-] MCULE-6841285360 [0,1,1,0,0,0|1,0,1]=4 1550 B9R0.13 CCCCC(CC)C(=O)[O-] MCULE-9345456808 [0,1,1,0,0,0|1,0,1]=4 1551 B9R0.13 CCCCC(CN)C(=O)O MCULE-6509321720 [0,1,1,0,0,0|0,0,0]=2 1552 B9R0.13 CCCCC(CO)C(=O)C MCULE-8991511326 [0,1,1,0,0,0|2,0,0]=4 1553 B9R0.13 CCCCC(CO)C(=O)O MCULE-7586035948 [0,1,1,0,0,0|1,0,0]=3 1554 B9R0.13 CCCCC(NC)C(=O)N MCULE-5960268514 [0,1,1,0,0,0|1,0,0]=3 1555 B9R0.13 CCCCC(NC)C(=O)O MCULE-1290797295 [0,1,1,0,0,0|0,0,0]=2 1556 B9R0.13 CCCCC(OC)C(=O)O MCULE-4251070702 [0,1,1,0,0,0|1,0,0]=3 1557 B9R0.13 CCCC[C@@H](CC)C(=O)O MCULE-3017621334 [0,1,1,0,0,0|1,0,0]=3 1558 B9R0.13 CCCC[C@@H](CC)C(=O)O MCULE-9782965208 [0,1,1,0,0,0|1,0,0]=3 1559 B9R0.13 CCCC[C@@H](CN)C(=O)O MCULE-8769717308 [0,1,1,0,0,0|0,0,0]=2 1560 B9R0.13 CCCC[C@@H](CO)C(=O)O MCULE-4035754044 [0,1,1,0,0,0|1,0,0]=3 1561 B9R0.13 CCCC[C@H](CC)C(=O)O MCULE-7435371149 [0,1,1,0,0,0|1,0,0]=3 1562 B9R0.13 CCCC[C@H](CN)C(=O)O MCULE-3507398764 [0,1,1,0,0,0|0,0,0]=2 1563 B9R0.13 CCCC[C@H](CO)C(=O)O MCULE-1956509117 [0,1,1,0,0,0|1,0,0]=3 1564 B9R0.13 CCCC[C@H](CO)C(=O)O MCULE-3776577040 [0,1,1,0,0,0|1,0,0]=3 1565 B9R0.13 CCCC[C@H](NC)C(=O)O MCULE-2734051077 [0,1,1,0,0,0|0,0,0]=2 1566 B9R0.13 CCCC[C@H](NC)C(=O)O MCULE-3251368399 [0,1,1,0,0,0|0,0,0]=2 1567 B9R0.13 CCCC[C@H](NC)C(=O)O MCULE-5821422660 [0,1,1,0,0,0|0,0,0]=2 1568 B9R0.13 CCCC[C@H](NC)C(=O)O MCULE-6933942099 [0,1,1,0,0,0|0,0,0]=2 1569 B9R0.13 CN[C@@H](CCCN)C(=O)O MCULE-3425842174 [0,1,1,0,0,0|1,0,0]=3 1570 B9R0.13 CN[C@@H](CCCN)C(=O)O MCULE-5957010617 [0,1,1,0,0,0|1,0,0]=3 1571 B9R0.13 CN[C@@H](CCSC)C(=O)O MCULE-4656254779 [0,1,1,0,0,0|1,0,0]=3 1572 B9R0.13 CN[C@@H](CCSC)C(=O)O MCULE-9180929954 [0,1,1,0,0,0|1,0,0]=3 1573 B9R0.13 COC(CCSC)C(=O)O MCULE-2968161259 [0,1,1,0,0,0|2,0,0]=4 1574 B9R0.13 CSCCC(N=[Se])C(=O)O MCULE-9506566313 [0,1,1,0,0,0|1,0,1]=4 1575 B9R0.42 C(N)(CC(=O)OC)C(=O)O MCULE-8015036052 [0,1,1,0,0,0|1,0,1]=4 1576 B9R0.42 CC(CO)CC(N)C(=O)O MCULE-1659842949 [0,1,1,0,0,0|1,0,0]=3 1577 B9R0.42 CCC(=O)CC(N)C(=O)O MCULE-7167843152 [0,1,1,0,0,0|0,0,1]=3 1578 B9R0.42 CCC(=O)CC(N)C(=O)O MCULE-9225518491 [0,1,1,0,0,0|0,0,1]=3 1579 B9R0.42 CCC(C)CC(C)C(=O)O MCULE-6856405301 [0,1,1,0,0,0|1,0,0]=3 1580 B9R0.42 CCC(C)CC(N)C(=O)O MCULE-1321158720 [0,1,1,0,0,0|0,0,0]=2 1581 B9R0.42 CCC(C)CC(N)C(=O)O MCULE-9833457318 [0,1,1,0,0,0|0,0,0]=2 1582 B9R0.42 CCN(C)CC(C)C(=O)O MCULE-6094320295 [0,1,1,0,0,0|2,0,0]=4 1583 B9R0.42 CCN(C)CC(C)C(=O)O MCULE-8043640135 [0,1,1,0,0,0|2,0,0]=4 1584 B9R0.42 CNC(=O)CC(N)C(=O)O MCULE-1910017583 [0,1,1,0,0,0|1,0,1]=4 1585 B9R0.42 CNC(=O)CC(N)C(=O)O MCULE-2273353640 [0,1,1,0,0,0|1,0,1]=4 1586 B9R0.42 CNC(=O)C[C@@H](N)C(=O)O MCULE-6316771422 [0,1,1,0,0,0|1,0,1]=4 1587 B9R0.42 CNC(=O)C[C@@H](N)C(=O)O MCULE-8833942582 [0,1,1,0,0,0|1,0,1]=4 1588 B9R0.42 CNC(=O)C[C@H](N)C(=O)O MCULE-7953918935 [0,1,1,0,0,0|1,0,1]=4 1589 B9R0.42 CNC(=O)C[C@H](N)C(=O)O MCULE-9595811834 [0,1,1,0,0,0|1,0,1]=4 1590 B9R0.42 COC(=O)CC(N)C(=O)O MCULE-1915038693 [0,1,1,0,0,0|1,0,1]=4 1591 B9R0.42 COC(=O)CC(N)C(=O)O MCULE-4452484594 [0,1,1,0,0,0|1,0,1]=4 1592 B9R0.42 COC(=O)CC(N)C(=O)O MCULE-8573910427 [0,1,1,0,0,0|1,0,1]=4 1593 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-2364792775 [0,1,1,0,0,0|1,0,1]=4 1594 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-3240459376 [0,1,1,0,0,0|1,0,1]=4 1595 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-5997294610 [0,1,1,0,0,0|1,0,1]=4 1596 B9R0.42 COC(=O)C[C@@H](N)C(=O)O MCULE-6955235147 [0,1,1,0,0,0|1,0,1]=4 1597 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-3838383924 [0,1,1,0,0,0|1,0,1]=4 1598 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-4621655906 [0,1,1,0,0,0|1,0,1]=4 1599 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-5113413935 [0,1,1,0,0,0|1,0,1]=4 1600 B9R0.42 COC(=O)C[C@H](N)C(=O)O MCULE-9857677224 [0,1,1,0,0,0|1,0,1]=4 1601 B9R0.42 NCC(=O)CC(N)C(=O)O MCULE-5617919538 [0,1,1,0,0,0|1,0,1]=4 1602 B9R0.42 NCC(=O)CC(N)C(=O)O MCULE-5853178152 [0,1,1,0,0,0|1,0,1]=4 1603 B9R0.47 C#CCCC[C@@H](N)C(=O)O MCULE-1522125822 [0,1,1,0,0,0|0,0,1]=3 1604 B9R0.47 C#CCCC[C@@H](N)C(=O)O MCULE-2184948430 [0,1,1,0,0,0|0,0,1]=3 1605 B9R0.47 C#CCCC[C@H](N)C(=O)O MCULE-3478575968 [0,1,1,0,0,0|0,0,1]=3 1606 B9R0.47 C#CCCC[C@H](N)C(=O)O MCULE-5307313414 [0,1,1,0,0,0|0,0,1]=3 1607 B9R0.47 C#CCOC[C@H](N)C(=O)O MCULE-8879805332 [0,1,1,0,0,0|0,0,2]=4 1608 B9R0.47 C#CCSCC(N)C(=O)O MCULE-8696971754 [0,1,1,0,0,0|0,0,2]=4 1609 B9R0.47 C#CCSC[C@H](N)C(=O)O MCULE-9301300062 [0,1,1,0,0,0|0,0,2]=4 1610 B9R0.47 C(N)(CCCCN)C(=O)O MCULE-7060791798 [0,1,1,0,0,0|0,0,0]=2 1611 B9R0.47 C/C=C/SC[C@H](N)C(=O)O MCULE-2540874981 [0,1,1,0,0,0|0,0,2]=4 1612 B9R0.47 C=CCCCC(N)C(=O)O MCULE-3707920281 [0,1,1,0,0,0|0,0,1]=3 1613 B9R0.47 C=CCCCC(N)C(=O)O MCULE-5939027667 [0,1,1,0,0,0|0,0,1]=3 1614 B9R0.47 C=CCCCC(N)C(=O)O MCULE-6095387409 [0,1,1,0,0,0|0,0,1]=3 1615 B9R0.47 C=CCCC[C@@H](N)C(=O)O MCULE-2101628204 [0,1,1,0,0,0|0,0,1]=3 1616 B9R0.47 C=CCCC[C@@H](N)C(=O)O MCULE-7328150693 [0,1,1,0,0,0|0,0,1]=3 1617 B9R0.47 C=CCCC[C@H](N)C(=O)O MCULE-1162071877 [0,1,1,0,0,0|0,0,1]=3 1618 B9R0.47 C=CCCC[C@H](N)C(=O)O MCULE-7245809917 [0,1,1,0,0,0|0,0,1]=3 1619 B9R0.47 C=CCSCC(N)C(=O)O MCULE-6058548878 [0,1,1,0,0,0|0,0,2]=4 1620 B9R0.47 C=CCSCC(N)C(=O)O MCULE-9209051108 [0,1,1,0,0,0|0,0,2]=4 1621 B9R0.47 C=CCSC[C@@H](N)C(=O)O MCULE-8305031365 [0,1,1,0,0,0|0,0,2]=4 1622 B9R0.47 C=CCSC[C@@H](N)C(=O)O MCULE-9911064679 [0,1,1,0,0,0|0,0,2]=4 1623 B9R0.47 C=CCSC[C@H](N)C(=O)O MCULE-8106938913 [0,1,1,0,0,0|0,0,2]=4 1624 B9R0.47 C=CCSC[C@H](N)C(=O)O MCULE-8215284816 [0,1,1,0,0,0|0,0,2]=4 1625 B9R0.47 C=CCSC[C@H](N)C(=O)O MCULE-9415243514 [0,1,1,0,0,0|0,0,2]=4 1626 B9R0.47 C=CSCC[C@H](N)C(=O)O MCULE-2736074137 [0,1,1,0,0,0|0,0,2]=4 1627 B9R0.47 CC(CSCCN)C(=O)O MCULE-8181129041 [0,1,1,0,0,0|2,0,0]=4 1628 B9R0.47 CC(CSCCN)C(=O)O MCULE-9927031234 [0,1,1,0,0,0|2,0,0]=4 1629 B9R0.47 CC=CSC[C@H](N)C(=O)O MCULE-2840170360 [0,1,1,0,0,0|0,0,2]=4 1630 B9R0.47 CCCC=CC(O)C(=O)O MCULE-9096490162 [0,1,1,0,0,0|1,0,1]=4 1631 B9R0.47 CCCCCC(=O)C(=O)O MCULE-2334480456 [0,1,1,0,0,0|1,0,1]=4 1632 B9R0.47 CCCCCC(C)C(=O)C MCULE-8141962187 [0,1,1,0,0,0|2,0,0]=4 1633 B9R0.47 CCCCCC(C)C(=O)O MCULE-3831811055 [0,1,1,0,0,0|1,0,0]=3 1634 B9R0.47 CCCCCC(N)C(=O)O MCULE-5558679374 [0,1,1,0,0,0|0,0,0]=2 1635 B9R0.47 CCCCCC(N)C(=O)O MCULE-8607576790 [0,1,1,0,0,0|0,0,0]=2 1636 B9R0.47 CCCCCC(O)C(=O)O MCULE-4151749430 [0,1,1,0,0,0|1,0,0]=3 1637 B9R0.47 CCCCC[C@@H](N)C(=O)O MCULE-3981603450 [0,1,1,0,0,0|0,0,0]=2 1638 B9R0.47 CCCCC[C@@H](N)C(=O)O MCULE-6090735433 [0,1,1,0,0,0|0,0,0]=2 1639 B9R0.47 CCCCC[C@H](N)C(=O)O MCULE-8108024359 [0,1,1,0,0,0|0,0,0]=2 1640 B9R0.47 CCCCC[C@H](N)C(=O)O MCULE-9961773652 [0,1,1,0,0,0|0,0,0]=2 1641 B9R0.47 CCCCOC(C)C(=O)O MCULE-2711768240 [0,1,1,0,0,0|1,0,0]=3 1642 B9R0.47 CCCCSC(C)C(=O)O MCULE-1538375330 [0,1,1,0,0,0|1,0,0]=3 1643 B9R0.47 CCCSCC(N)C(=O)O MCULE-1465196294 [0,1,1,0,0,0|0,0,0]=2 1644 B9R0.47 CCCSCC(N)C(=O)O MCULE-2196835186 [0,1,1,0,0,0|0,0,0]=2 1645 B9R0.47 CCCSC[C@H](N)C(=O)O MCULE-2274873569 [0,1,1,0,0,0|0,0,0]=2 1646 B9R0.47 CCNCCC(N)C(=O)O MCULE-8873123795 [0,1,1,0,0,0|0,0,0]=2 1647 B9R0.47 CCSCCC(N)C(=O)O MCULE-8503033566 [0,1,1,0,0,0|0,0,0]=2 1648 B9R0.47 CCSCCC(N)C(=O)O MCULE-9465623190 [0,1,1,0,0,0|0,0,0]=2 1649 B9R0.47 CCSCC[C@@H](N)C(=O)O MCULE-2836325620 [0,1,1,0,0,0|0,0,0]=2 1650 B9R0.47 CCSCC[C@H](N)C(=O)O MCULE-6614300528 [0,1,1,0,0,0|0,0,0]=2 1651 B9R0.47 CC[Se]CCC(N)C(=O)O MCULE-7426703933 [0,1,1,0,0,0|0,0,0]=2 1652 B9R0.47 COCCCC(C)C(=O)O MCULE-7159772792 [0,1,1,0,0,0|1,0,0]=3 1653 B9R0.47 COCCNC(C)C(=O)O MCULE-1762428923 [0,1,1,0,0,0|2,0,0]=4 1654 B9R0.47 COCCNC(C)C(=O)O MCULE-8532368084 [0,1,1,0,0,0|2,0,0]=4 1655 B9R0.47 COCCOC(C)C(=O)O MCULE-5271320344 [0,1,1,0,0,0|2,0,0]=4 1656 B9R0.47 CSCCOC(C)C(=O)O MCULE-2180057271 [0,1,1,0,0,0|2,0,0]=4 1657 B9R0.47 CSCSC[C@H](N)C(=O)O MCULE-2792975111 [0,1,1,0,0,0|1,0,0]=3 1658 B9R0.47 N#N=NCCC(N)C(=O)O MCULE-3306935085 [0,1,1,0,0,0|2,0,0]=4 1659 B9R0.47 NC(CCCCO)C(=O)O MCULE-7372730935 [0,1,1,0,0,0|0,0,0]=2 1660 B9R0.47 NC(CSCCO)C(=O)O MCULE-9765321939 [0,1,1,0,0,0|1,0,0]=3 1661 B9R0.47 NCC#CCC(N)C(=O)O MCULE-6095484409 [0,1,1,0,0,0|0,0,2]=4 1662 B9R0.47 NCC#CCC(N)C(=O)O MCULE-8713805302 [0,1,1,0,0,0|0,0,2]=4 1663 B9R0.47 NCC=CCC(N)C(=O)O MCULE-9924781011 [0,1,1,0,0,0|0,0,2]=4 1664 B9R0.47 NCCCCC(N)C(=O)N MCULE-5695768231 [0,1,1,0,0,0|1,0,0]=3 1665 B9R0.47 NCCCCC(N)C(=O)N MCULE-8502146041 [0,1,1,0,0,0|1,0,0]=3 1666 B9R0.47 NCCCCC(N)C(=O)O MCULE-1411873021 [0,1,1,0,0,0|0,0,0]=2 1667 B9R0.47 NCCCCC(N)C(=O)O MCULE-1436032977 [0,1,1,0,0,0|0,0,0]=2 1668 B9R0.47 NCCCCC(N)C(=O)O MCULE-5737537430 [0,1,1,0,0,0|0,0,0]=2 1669 B9R0.47 NCCCCC(N)C(=O)O MCULE-6537319758 [0,1,1,0,0,0|0,0,0]=2 1670 B9R0.47 NCCCCC(N)C(=O)O MCULE-9665753367 [0,1,1,0,0,0|0,0,0]=2 1671 B9R0.47 NCCCC[C@@H](N)C(=O)O MCULE-2051883110 [0,1,1,0,0,0|0,0,0]=2 1672 B9R0.47 NCCCC[C@@H](N)C(=O)O MCULE-2174845427 [0,1,1,0,0,0|0,0,0]=2 1673 B9R0.47 NCCCC[C@@H](N)C(=O)O MCULE-7229907816 [0,1,1,0,0,0|0,0,0]=2 1674 B9R0.47 NCCCC[C@@H](N)C(=O)O MCULE-7646209988 [0,1,1,0,0,0|0,0,0]=2 1675 B9R0.47 NCCCC[C@H](N)C(=O)N MCULE-2490465776 [0,1,1,0,0,0|1,0,0]=3 1676 B9R0.47 NCCCC[C@H](N)C(=O)N MCULE-5523101334 [0,1,1,0,0,0|1,0,0]=3 1677 B9R0.47 NCCCC[C@H](N)C(=O)N MCULE-7682920289 [0,1,1,0,0,0|1,0,0]=3 1678 B9R0.47 NCCCC[C@H](N)C(=O)N MCULE-9381942600 [0,1,1,0,0,0|1,0,0]=3 1679 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-1814780282 [0,1,1,0,0,0|0,0,0]=2 1680 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-2585671029 [0,1,1,0,0,0|0,0,0]=2 1681 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-2735109468 [0,1,1,0,0,0|0,0,0]=2 1682 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-3226089160 [0,1,1,0,0,0|0,0,0]=2 1683 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-4736099943 [0,1,1,0,0,0|0,0,0]=2 1684 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-5602916309 [0,1,1,0,0,0|0,0,0]=2 1685 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-5669080418 [0,1,1,0,0,0|0,0,0]=2 1686 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-5771120494 [0,1,1,0,0,0|0,0,0]=2 1687 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-6467055628 [0,1,1,0,0,0|0,0,0]=2 1688 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-7268734331 [0,1,1,0,0,0|0,0,0]=2 1689 B9R0.47 NCCCC[C@H](N)C(=O)O MCULE-7702716758 [0,1,1,0,0,0|0,0,0]=2 1690 B9R0.47 NCCCC[C@H]([NH3+])C(=O)O MCULE-1421201563 [0,1,1,0,0,0|0,0,1]=3 1691 B9R0.47 NCCOCC(N)C(=O)O MCULE-7224841130 [0,1,1,0,0,0|1,0,0]=3 1692 B9R0.47 NCCOCC(N)C(=O)O MCULE-7654083918 [0,1,1,0,0,0|1,0,0]=3 1693 B9R0.47 NCCOC[C@H](N)C(=O)O MCULE-4415047402 [0,1,1,0,0,0|1,0,0]=3 1694 B9R0.47 NCCOC[C@H](N)C(=O)O MCULE-4663780920 [0,1,1,0,0,0|1,0,0]=3 1695 B9R0.47 NCCOC[C@H](N)C(=O)O MCULE-4696145098 [0,1,1,0,0,0|1,0,0]=3 1696 B9R0.47 NCCOC[C@H](N)C(=O)O MCULE-9286897415 [0,1,1,0,0,0|1,0,0]=3 1697 B9R0.47 NCCSCC(N)C(=O)O MCULE-5256853681 [0,1,1,0,0,0|1,0,0]=3 1698 B9R0.47 NCCSCC(N)C(=O)O MCULE-7420723141 [0,1,1,0,0,0|1,0,0]=3 1699 B9R0.47 NCCSCC(N)C(=O)O MCULE-9409306380 [0,1,1,0,0,0|1,0,0]=3 1700 B9R0.47 NCCSC[C@H](N)C(=O)O MCULE-3159724083 [0,1,1,0,0,0|1,0,0]=3 1701 B9R0.47 NCCSC[C@H](N)C(=O)O MCULE-4836746198 [0,1,1,0,0,0|1,0,0]=3 1702 B9R0.47 NCCSC[C@H](N)C(=O)O MCULE-6032940560 [0,1,1,0,0,0|1,0,0]=3 1703 B9R0.47 NCCSC[C@H](N)C(=O)O MCULE-6994785146 [0,1,1,0,0,0|1,0,0]=3 1704 B9R0.47 NCC[Se]C[C@H](N)C(=O)O MCULE-1630938680 [0,1,1,0,0,0|1,0,0]=3 1705 B9R0.47 N[C@@H](CCCCO)C(=O)O MCULE-1855458643 [0,1,1,0,0,0|0,0,0]=2 1706 B9R0.47 N[C@@H](CCCCO)C(=O)O MCULE-3280637244 [0,1,1,0,0,0|0,0,0]=2 1707 B9R0.47 N[C@@H](CCCNO)C(=O)O MCULE-2690192301 [0,1,1,0,0,0|1,0,0]=3 1708 B9R0.47 N[C@@H](CCCNO)C(=O)O MCULE-8331389811 [0,1,1,0,0,0|1,0,0]=3 1709 B9R0.47 N[C@@H](CCCNO)C(=O)O MCULE-9071251692 [0,1,1,0,0,0|1,0,0]=3 1710 B9R0.47 N[C@@H](CCCNO)C(=O)O MCULE-9613387165 [0,1,1,0,0,0|1,0,0]=3 1711 B9R0.47 N[C@@H](CCSN=O)C(=O)O MCULE-6471102114 [0,1,1,0,0,0|2,0,0]=4 1712 B9R0.47 N[C@@H](CSCCO)C(=O)O MCULE-4219102659 [0,1,1,0,0,0|1,0,0]=3 1713 B9R0.47 N[C@H](CSCCO)C(=O)O MCULE-6379323435 [0,1,1,0,0,0|1,0,0]=3 1714 B9R0.47 O=C(O)C(Br)CCCCBr MCULE-9265332965 [0,1,1,0,0,0|1,0,0]=3 1715 B9R0.47 [C@@H](N)(CCCCN)C(=O)O MCULE-2676284364 [0,1,1,0,0,0|0,0,0]=2 1716 B9R0.47 [C@@H](N)(CCCCN)C(=O)O MCULE-3536027321 [0,1,1,0,0,0|0,0,0]=2 1717 B9R0.47 [C@H](N)(CCNCC)C(=O)O MCULE-8327043663 [0,1,1,0,0,0|0,0,0]=2 1718 B9R0.47 [C@H](N)(CSCC#C)C(=O)O MCULE-3451460749 [0,1,1,0,0,0|0,0,2]=4 1719 B9R0.47 [N-]=[N+]=NCC[C@@H](N)C(=O)O MCULE-3468296516 [0,1,1,0,0,0|2,0,0]=4 1720 B9R0.47 [N-]=[N+]=NCC[C@H](N)C(=O)O MCULE-3922595405 [0,1,1,0,0,0|2,0,0]=4 1721 B9R0.47 [N-]=[N+]=NCC[C@H](N)C(=O)O MCULE-4625957807 [0,1,1,0,0,0|2,0,0]=4 1722 B9R0.47 [N-]=[N+]=NCC[C@H](N)C(=O)O MCULE-5294285117 [0,1,1,0,0,0|2,0,0]=4 1723 B9R0.47 [N-]=[N+]=NCC[C@H](N)C(=O)O MCULE-6236286481 [0,1,1,0,0,0|2,0,0]=4 1724 B9R0.51 C=CCC[C@@](C)(N)C(=O)O MCULE-8852684173 [0,1,1,0,0,0|0,0,2]=4 1725 B9R0.51 C=CCC[C@](C)(N)C(=O)O MCULE-1635647275 [0,1,1,0,0,0|0,0,2]=4 1726 B9R0.51 CC(C)(CCCO)C(=O)O MCULE-8432032551 [0,1,1,0,0,0|2,0,0]=4 1727 B9R0.51 CC(N)(CCCN)C(=O)O MCULE-3848172930 [0,1,1,0,0,0|1,0,0]=3 1728 B9R0.51 CC(N)(CCCN)C(=O)O MCULE-8569683447 [0,1,1,0,0,0|1,0,0]=3 1729 B9R0.51 CCCCC(C)(C)C(=O)C MCULE-3392309275 [0,1,1,0,0,0|2,0,0]=4 1730 B9R0.51 CCCCC(C)(C)C(=O)O MCULE-6533628152 [0,1,1,0,0,0|1,0,0]=3 1731 B9R0.51 CCCCC(C)(F)C(=O)O MCULE-3264455202 [0,1,1,0,0,0|1,0,0]=3 1732 B9R0.51 CCCCC(C)(O)C(=O)O MCULE-4036610380 [0,1,1,0,0,0|1,0,0]=3 1733 B9R0.51 CCCCC(F)(F)C(=O)O MCULE-3383573238 [0,1,1,0,0,0|1,0,0]=3 1734 B9R0.51 CCOCC(C)(C)C(=O)O MCULE-3248915686 [0,1,1,0,0,0|2,0,0]=4 1735 B9R0.51 COCCC(C)(C)C(=O)O MCULE-6792174270 [0,1,1,0,0,0|2,0,0]=4 1736 B9R0.51 COCCC(C)(N)C(=O)O MCULE-5241047385 [0,1,1,0,0,0|1,0,0]=3 1737 B9R0.11 C=C(C)CC(C)(C)C(=O)O MCULE-2137357994 [0,1,1,0,0,0|1,0,1]=4 1738 B9R0.11 CC(=O)C(C)(O)CC(C)C MCULE-5996885507 [0,1,1,0,0,0|2,0,0]=4 1739 B9R0.11 CC(=O)CC(C)(C)C(=O)O MCULE-3548808704 [0,1,1,0,0,0|1,0,1]=4 1740 B9R0.11 CC(C)(CC(F)F)C(=O)O MCULE-9712340050 [0,1,1,0,0,0|2,0,0]=4 1741 B9R0.11 CC(C)CC(C)(C)C(=O)O MCULE-1527618443 [0,1,1,0,0,0|1,0,0]=3 1742 B9R0.11 CC(C)CC(C)(F)C(=O)O MCULE-9239880064 [0,1,1,0,0,0|1,0,0]=3 1743 B9R0.11 CC(C)CC(C)(N)C(=O)N MCULE-8569516764 [0,1,1,0,0,0|1,0,0]=3 1744 B9R0.11 CC(C)CC(C)(N)C(=O)O MCULE-4257632982 [0,1,1,0,0,0|0,0,0]=2 1745 B9R0.11 CC(C)CC(C)(N)C(=O)O MCULE-6991659149 [0,1,1,0,0,0|0,0,0]=2 1746 B9R0.11 CC(C)CC(C)(O)C(=O)O MCULE-6600862818 [0,1,1,0,0,0|1,0,0]=3 1747 B9R0.11 CC(C)C[C@@](C)(N)C(=O)O MCULE-4712290479 [0,1,1,0,0,0|0,0,0]=2 1748 B9R0.11 CC(C)C[C@@](C)(N)C(=O)O MCULE-9085844136 [0,1,1,0,0,0|0,0,0]=2 1749 B9R0.11 CC(C)C[C@](C)(N)C(=O)O MCULE-6073129801 [0,1,1,0,0,0|0,0,0]=2 1750 B9R0.11 CC(C)C[C@](C)(N)C(=O)O MCULE-7162987343 [0,1,1,0,0,0|0,0,0]=2 1751 B9R0.11 CC(C)OC(C)(C)C(=O)O MCULE-3543109943 [0,1,1,0,0,0|2,0,0]=4 1752 B9R0.11 CC(N)(CC(=O)O)C(=O)O MCULE-3390093551 [0,1,1,0,0,0|1,0,1]=4 1753 B9R0.11 CC(N)(CC(=O)O)C(=O)O MCULE-4137717341 [0,1,1,0,0,0|1,0,1]=4 1754 B9R0.11 CN(C)CC(C)(C)C(=O)O MCULE-1142687176 [0,1,1,0,0,0|2,0,0]=4 1755 B9R0.11 CN(C)CC(C)(C)C(=O)O MCULE-8506830964 [0,1,1,0,0,0|2,0,0]=4 1756 B9R0.11 CN(C)CC(C)(N)C(=O)O MCULE-4857565953 [0,1,1,0,0,0|1,0,0]=3 1757 B9R0.11 C[C@@](N)(CC(=O)O)C(=O)O MCULE-5803003392 [0,1,1,0,0,0|1,0,1]=4 1758 B9R0.11 C[C@@](N)(CC(=O)O)C(=O)O MCULE-7987571569 [0,1,1,0,0,0|1,0,1]=4 1759 B9R0.11 C[C@](N)(CC(=O)N)C(=O)O MCULE-5803295303 [0,1,1,0,0,0|1,0,1]=4 1760 B9R0.11 C[C@](N)(CC(=O)N)C(=O)O MCULE-9662132548 [0,1,1,0,0,0|1,0,1]=4 1761 B9R0.11 C[C@](N)(CC(=O)O)C(=O)O MCULE-4314292616 [0,1,1,0,0,0|1,0,1]=4 1762 B9R0.28 CCC(C)C(F)(F)C(=O)O MCULE-8813807658 [0,1,1,0,0,0|2,0,0]=4 1763 B9R0.28 CCC(O)C(F)(F)C(=O)O MCULE-8473962124 [0,1,1,0,0,0|2,0,0]=4 1764 B9R0.28 CCN(C)C(C)(C)C(=O)O MCULE-1120650068 [0,1,1,0,0,0|2,0,0]=4 1765 B9R0.60 C=CCC(C)(N)C(=O)OC MCULE-9985053421 [0,1,1,0,0,0|0,0,2]=4 1766 B9R0.60 C=CC[C@@](C)(N)C(=O)OC MCULE-5748038167 [0,1,1,0,0,0|0,0,2]=4 1767 B9R0.60 C=CC[C@](C)(N)C(=O)OC MCULE-8337287647 [0,1,1,0,0,0|0,0,2]=4 1768 B9R0.60 CCCC(C)(N)C(=O)OC MCULE-3420672647 [0,1,1,0,0,0|0,0,0]=2 1769 B9R0.60 CCCC(C)(N)C(=O)OC MCULE-5121628800 [0,1,1,0,0,0|0,0,0]=2 1770 B9R0.60 CCCC(C)(O)C(=O)OC MCULE-6961757561 [0,1,1,0,0,0|1,0,0]=3 1771 B9R0.60 CCNC(C)(C)C(=O)OC MCULE-5158822270 [0,1,1,0,0,0|2,0,0]=4 1772 B9R0.60 COC(=O)C(C)(C)CCBr MCULE-5231711658 [0,1,1,0,0,0|2,0,0]=4 1773 B9R0.60 COC(=O)C(C)(C)CCN MCULE-2023148799 [0,1,1,0,0,0|2,0,0]=4 1774 B9R0.60 COC(=O)C(C)(C)CCN MCULE-2474943279 [0,1,1,0,0,0|2,0,0]=4 1775 B9R0.60 COC(=O)C(C)(C)CCO MCULE-8244412814 [0,1,1,0,0,0|2,0,0]=4 1776 B9R0.60 COC(=O)C(C)(N)CCF MCULE-3286692679 [0,1,1,0,0,0|1,0,0]=3 1777 B9R0.60 COCC(C)(C)C(=O)OC MCULE-3637426085 [0,1,1,0,0,0|2,0,0]=4 1778 B9R0.60 COCC(C)(N)C(=O)OC MCULE-1217021832 [0,1,1,0,0,0|1,0,0]=3 1779 B9R0.60 COCC(C)(O)C(=O)OC MCULE-1952223492 [0,1,1,0,0,0|2,0,0]=4 1780 B9R0.74 CCC(N)(COC)C(=O)O MCULE-1112258412 [0,1,1,0,0,0|1,0,0]=3 1781 B9R0.74 CCC(N)(COC)C(=O)O MCULE-3146530110 [0,1,1,0,0,0|1,0,0]=3 1782 B9R0.74 CCCC(C)(CC)C(=O)C MCULE-3275508969 [0,1,1,0,0,0|2,0,0]=4 1783 B9R0.74 CCCC(C)(CC)C(=O)O MCULE-2557760328 [0,1,1,0,0,0|1,0,0]=3 1784 B9R0.74 CCCC(N)(CC)C(=O)O MCULE-2758260935 [0,1,1,0,0,0|0,0,0]=2 1785 B9R0.74 CCCC(N)(CC)C(=O)O MCULE-6297600490 [0,1,1,0,0,0|0,0,0]=2 1786 B9R0.74 CNC(C)(COC)C(=O)O MCULE-1951800408 [0,1,1,0,0,0|1,0,0]=3 1787 B9R0.74 CNC(C)(COC)C(=O)O MCULE-6037506715 [0,1,1,0,0,0|1,0,0]=3 1788 B9R0.74 COCC(C)(OC)C(=O)O MCULE-5307101549 [0,1,1,0,0,0|2,0,0]=4 1789 B9R0.69 CCC(C)(CC)C(=O)OC MCULE-3531872790 [0,1,1,0,0,0|1,0,0]=3 1790 B9R0.69 CCC(C)(NC)C(=O)OC MCULE-8710804680 [0,1,1,0,0,0|2,0,0]=4 1791 B9R0.69 CCC(N)(CC)C(=O)OC MCULE-6550120853 [0,1,1,0,0,0|0,0,0]=2 1792 B9R0.69 CCC(N)(CC)C(=O)OC MCULE-9092222744 [0,1,1,0,0,0|0,0,0]=2 1793 B9R0.76 CC(C)C(F)(CN)C(=O)O MCULE-1177869145 [0,1,1,0,0,0|2,0,0]=4 1794 B9R0.76 CCC(N)(C(=O)N)C(C)C MCULE-1761450489 [0,1,1,0,0,0|1,0,0]=3 1795 B9R0.78 CCC(C#N)(CC)C(=O)O MCULE-4469512703 [0,1,1,0,0,0|0,0,1]=3 1796 B9R0.78 CCC(CC)(CC)C(=O)O MCULE-4084421366 [0,1,1,0,0,0|1,0,0]=3 1797 B9R0.78 CCC(CC)(CN)C(=O)O MCULE-4095004267 [0,1,1,0,0,0|0,0,0]=2 1798 B9R0.78 CCC(CC)(CN)C(=O)O MCULE-9385355534 [0,1,1,0,0,0|0,0,0]=2 1799 B9R0.78 CCC(CC)(CO)C(=O)O MCULE-5860910537 [0,1,1,0,0,0|1,0,0]=3 1800 B9R0.78 CCC(CO)(CO)C(=O)O MCULE-9340744825 [0,1,1,0,0,0|2,0,0]=4 1801 B9R1.11 C#CC(=O)N1CCCC1 MCULE-1552230131 [1,1,0,0,0,0|2,0,0]=4 1802 B9R1.11 C#CC(O)C1CCCC1 MCULE-2991189926 [1,1,0,0,0,0|1,0,1]=4 1803 B9R1.11 C1(CCNC1)C(=O)OC MCULE-6356797990 [1,1,0,0,0,0|1,0,0]=3 1804 B9R1.11 C1(CCNC1)C(=O)OC MCULE-7101201723 [1,1,0,0,0,0|1,0,0]=3 1805 B9R1.11 C1(CCNC1)C(=O)OC MCULE-8951983412 [1,1,0,0,0,0|1,0,0]=3 1806 B9R1.11 C1(CCOC1)C(=O)OC MCULE-6831054690 [1,1,0,0,0,0|1,0,0]=3 1807 B9R1.11 C=CC(=O)N1CCCC1 MCULE-9314569500 [1,1,0,0,0,0|2,0,0]=4 1808 B9R1.11 C=CC(O)C1CCCC1 MCULE-8096299119 [1,1,0,0,0,0|1,0,1]=4 1809 B9R1.11 CCC(=O)C1CCCC1 MCULE-4431631098 [1,1,0,0,0,0|1,0,0]=3 1810 B9R1.11 CCC(=O)C1CCOC1 MCULE-1322014645 [1,1,0,0,0,0|2,0,0]=4 1811 B9R1.11 CCC(=O)[C@@H]1CCCN1 MCULE-1661804964 [1,1,0,0,0,0|2,0,0]=4 1812 B9R1.11 CCC(=O)[C@@H]1CCCN1 MCULE-8456135152 [1,1,0,0,0,0|2,0,0]=4 1813 B9R1.11 CNC(=O)C1CCCC1 MCULE-1170525718 [1,1,0,0,0,0|1,0,0]=3 1814 B9R1.11 CNC(=O)C1CCCN1 MCULE-1783490658 [1,1,0,0,0,0|2,0,0]=4 1815 B9R1.11 CNC(=O)C1CCCN1 MCULE-5014608316 [1,1,0,0,0,0|2,0,0]=4 1816 B9R1.11 CNC(=O)C1CCNC1 MCULE-2945338804 [1,1,0,0,0,0|2,0,0]=4 1817 B9R1.11 CNC(=O)C1CCNC1 MCULE-8215086073 [1,1,0,0,0,0|2,0,0]=4 1818 B9R1.11 CNC(=O)[C@@H]1CCCN1 MCULE-3668444015 [1,1,0,0,0,0|2,0,0]=4 1819 B9R1.11 CNC(=O)[C@@H]1CCCN1 MCULE-7344672390 [1,1,0,0,0,0|2,0,0]=4 1820 B9R1.11 CNC(=O)[C@@H]1CCCN1 MCULE-7586915644 [1,1,0,0,0,0|2,0,0]=4 1821 B9R1.11 CNC(=O)[C@@H]1CCCN1 MCULE-8093231474 [1,1,0,0,0,0|2,0,0]=4 1822 B9R1.11 CNC(=O)[C@@H]1CCCN1 MCULE-9455499550 [1,1,0,0,0,0|2,0,0]=4 1823 B9R1.11 CNC(=O)[C@H]1CCCN1 MCULE-1131638831 [1,1,0,0,0,0|2,0,0]=4 1824 B9R1.11 CNC(=O)[C@H]1CCCN1 MCULE-4056775238 [1,1,0,0,0,0|2,0,0]=4 1825 B9R1.11 CNC(=O)[C@H]1CCCN1 MCULE-4223546600 [1,1,0,0,0,0|2,0,0]=4 1826 B9R1.11 CNC(=O)[C@H]1CCCN1 MCULE-6583071684 [1,1,0,0,0,0|2,0,0]=4 1827 B9R1.11 COC(=N)C1CCCC1 MCULE-3923627958 [1,1,0,0,0,0|1,0,0]=3 1828 B9R1.11 COC(=N)C1CCCC1 MCULE-5894752285 [1,1,0,0,0,0|1,0,0]=3 1829 B9R1.11 COC(=O)C1=CCCC1 MCULE-3606282792 [1,1,0,0,0,0|0,0,2]=4 1830 B9R1.11 COC(=O)C1CC=CC1 MCULE-9983636796 [1,1,0,0,0,0|0,0,2]=4 1831 B9R1.11 COC(=O)C1CCCC1 MCULE-6212031690 [1,1,0,0,0,0|0,0,0]=2 1832 B9R1.11 COC(=O)C1CCCN1 MCULE-3132842932 [1,1,0,0,0,0|1,0,0]=3 1833 B9R1.11 COC(=O)C1CCCN1 MCULE-5268897425 [1,1,0,0,0,0|1,0,0]=3 1834 B9R1.11 COC(=O)C1CCCN1 MCULE-6168730709 [1,1,0,0,0,0|1,0,0]=3 1835 B9R1.11 COC(=O)C1CCCN1 MCULE-8316785654 [1,1,0,0,0,0|1,0,0]=3 1836 B9R1.11 COC(=O)C1CCCO1 MCULE-2538391455 [1,1,0,0,0,0|1,0,0]=3 1837 B9R1.11 COC(=O)C1CCCS1 MCULE-8875125328 [1,1,0,0,0,0|1,0,0]=3 1838 B9R1.11 COC(=O)C1CCNC1 MCULE-1630900792 [1,1,0,0,0,0|1,0,0]=3 1839 B9R1.11 COC(=O)C1CCNC1 MCULE-5845908055 [1,1,0,0,0,0|1,0,0]=3 1840 B9R1.11 COC(=O)C1CCNC1 MCULE-8849407954 [1,1,0,0,0,0|1,0,0]=3 1841 B9R1.11 COC(=O)C1CCOC1 MCULE-8088199992 [1,1,0,0,0,0|1,0,0]=3 1842 B9R1.11 COC(=O)C1CSCN1 MCULE-5351052142 [1,1,0,0,0,0|2,0,0]=4 1843 B9R1.11 COC(=O)C1CSCN1 MCULE-9093296447 [1,1,0,0,0,0|2,0,0]=4 1844 B9R1.11 COC(=O)C1NCCS1 MCULE-8142325663 [1,1,0,0,0,0|2,0,0]=4 1845 B9R1.11 COC(=O)C1[NH2+]CCS1 MCULE-5863059145 [1,1,0,0,0,0|2,0,0]=4 1846 B9R1.11 COC(=O)N1CCCC1 MCULE-1240116216 [1,1,0,0,0,0|1,0,0]=3 1847 B9R1.11 COC(=O)[C@@H]1CCCN1 MCULE-1981658590 [1,1,0,0,0,0|1,0,0]=3 1848 B9R1.11 COC(=O)[C@@H]1CCCN1 MCULE-6907716746 [1,1,0,0,0,0|1,0,0]=3 1849 B9R1.11 COC(=O)[C@@H]1CCCN1 MCULE-8031793722 [1,1,0,0,0,0|1,0,0]=3 1850 B9R1.11 COC(=O)[C@@H]1CCCN1 MCULE-9787777328 [1,1,0,0,0,0|1,0,0]=3 1851 B9R1.11 COC(=O)[C@@H]1CCNC1 MCULE-3233941315 [1,1,0,0,0,0|1,0,0]=3 1852 B9R1.11 COC(=O)[C@@H]1CCNC1 MCULE-4138957644 [1,1,0,0,0,0|1,0,0]=3 1853 B9R1.11 COC(=O)[C@@H]1CCNC1 MCULE-5401828810 [1,1,0,0,0,0|1,0,0]=3 1854 B9R1.11 COC(=O)[C@@H]1CCNC1 MCULE-6948701888 [1,1,0,0,0,0|1,0,0]=3 1855 B9R1.11 COC(=O)[C@@H]1CCNC1 MCULE-7639173642 [1,1,0,0,0,0|1,0,0]=3 1856 B9R1.11 COC(=O)[C@@H]1CCNC1 MCULE-9871868573 [1,1,0,0,0,0|1,0,0]=3 1857 B9R1.11 COC(=O)[C@@H]1CCOC1 MCULE-2786445237 [1,1,0,0,0,0|1,0,0]=3 1858 B9R1.11 COC(=O)[C@@H]1CCOC1 MCULE-6419806426 [1,1,0,0,0,0|1,0,0]=3 1859 B9R1.11 COC(=O)[C@@H]1CSCN1 MCULE-5459284567 [1,1,0,0,0,0|2,0,0]=4 1860 B9R1.11 COC(=O)[C@@H]1CSCN1 MCULE-6009801924 [1,1,0,0,0,0|2,0,0]=4 1861 B9R1.11 COC(=O)[C@H]1CCCN1 MCULE-1925865650 [1,1,0,0,0,0|1,0,0]=3 1862 B9R1.11 COC(=O)[C@H]1CCCN1 MCULE-3950222089 [1,1,0,0,0,0|1,0,0]=3 1863 B9R1.11 COC(=O)[C@H]1CCCN1 MCULE-4251030243 [1,1,0,0,0,0|1,0,0]=3 1864 B9R1.11 COC(=O)[C@H]1CCCN1 MCULE-8974101732 [1,1,0,0,0,0|1,0,0]=3 1865 B9R1.11 COC(=O)[C@H]1CCNC1 MCULE-3002947292 [1,1,0,0,0,0|1,0,0]=3 1866 B9R1.11 COC(=O)[C@H]1CCNC1 MCULE-4023088392 [1,1,0,0,0,0|1,0,0]=3 1867 B9R1.11 COC(=O)[C@H]1CCNC1 MCULE-5206857621 [1,1,0,0,0,0|1,0,0]=3 1868 B9R1.11 COC(=O)[C@H]1CCNC1 MCULE-7688050113 [1,1,0,0,0,0|1,0,0]=3 1869 B9R1.11 COC(=O)[C@H]1CCNC1 MCULE-7976156203 [1,1,0,0,0,0|1,0,0]=3 1870 B9R1.11 COC(=O)[C@H]1CCNC1 MCULE-9431553560 [1,1,0,0,0,0|1,0,0]=3 1871 B9R1.11 COC(=O)[C@H]1CCOC1 MCULE-4215481469 [1,1,0,0,0,0|1,0,0]=3 1872 B9R1.11 COC(=O)[C@H]1CCOC1 MCULE-9152113033 [1,1,0,0,0,0|1,0,0]=3 1873 B9R1.11 N/C(=N/O)/N1CCCC1 MCULE-8007335584 [1,1,0,0,0,0|2,0,0]=4 1874 B9R1.11 N/C(=N\O)/C1CCCC1 MCULE-6643830969 [1,1,0,0,0,0|1,0,0]=3 1875 B9R1.11 N/C(=N\O)/C1CCCO1 MCULE-2644350923 [1,1,0,0,0,0|2,0,0]=4 1876 B9R1.11 N/C(=N\O)/C1CCOC1 MCULE-1870162248 [1,1,0,0,0,0|2,0,0]=4 1877 B9R1.11 NC(CO)C1CCCC1 MCULE-3542083676 [1,1,0,0,0,0|1,0,1]=4 1878 B9R1.11 NC(CO)C1CCCC1 MCULE-5931245443 [1,1,0,0,0,0|1,0,1]=4 1879 B9R1.11 NCC(=O)C1CCCC1 MCULE-2498486150 [1,1,0,0,0,0|1,0,0]=3 1880 B9R1.11 NCC(=O)C1CCCC1 MCULE-5406973286 [1,1,0,0,0,0|1,0,0]=3 1881 B9R1.11 NCC(=O)N1CCCC1 MCULE-3024051267 [1,1,0,0,0,0|2,0,0]=4 1882 B9R1.11 NCC(=O)N1CCCC1 MCULE-5492264097 [1,1,0,0,0,0|2,0,0]=4 1883 B9R1.11 NCC(=O)N1CCCC1 MCULE-9879098395 [1,1,0,0,0,0|2,0,0]=4 1884 B9R1.11 NCC(O)C1CCCC1 MCULE-1826088467 [1,1,0,0,0,0|1,0,1]=4 1885 B9R1.11 NCC(O)C1CCCC1 MCULE-5186127631 [1,1,0,0,0,0|1,0,1]=4 1886 B9R1.11 NNC(=O)C1CCCC1 MCULE-5436769120 [1,1,0,0,0,0|1,0,0]=3 1887 B9R1.11 NNC(=O)C1CCCO1 MCULE-7320789673 [1,1,0,0,0,0|2,0,0]=4 1888 B9R1.11 NNC(=O)C1CCCO1 MCULE-9371435722 [1,1,0,0,0,0|2,0,0]=4 1889 B9R1.11 NNC(=O)C1CCCS1 MCULE-3948986935 [1,1,0,0,0,0|2,0,0]=4 1890 B9R1.11 NNC(=O)C1CCOC1 MCULE-1616364111 [1,1,0,0,0,0|2,0,0]=4 1891 B9R1.11 NNC(=O)[C@@H]1CCCO1 MCULE-4678621422 [1,1,0,0,0,0|2,0,0]=4 1892 B9R1.11 NNC(=O)[C@H]1CCCO1 MCULE-2795201954 [1,1,0,0,0,0|2,0,0]=4 1893 B9R1.11 N[C@H](CO)C1CCCC1 MCULE-1672080667 [1,1,0,0,0,0|1,0,1]=4 1894 B9R1.11 N[C@H](CO)C1CCCC1 MCULE-2468572391 [1,1,0,0,0,0|1,0,1]=4 1895 B9R1.11 N[C@H](CO)C1CCCC1 MCULE-9200212417 [1,1,0,0,0,0|1,0,1]=4 1896 B9R1.11 O=C(CBr)C1CCCC1 MCULE-4985111490 [1,1,0,0,0,0|1,0,0]=3 1897 B9R1.11 O=C(CBr)C1CCCO1 MCULE-9978996372 [1,1,0,0,0,0|2,0,0]=4 1898 B9R1.11 O=C(CBr)C1CCOC1 MCULE-6832037750 [1,1,0,0,0,0|2,0,0]=4 1899 B9R1.11 O=C(CBr)N1CCCC1 MCULE-2041605022 [1,1,0,0,0,0|2,0,0]=4 1900 B9R1.11 O=C(CCl)C1CCCC1 MCULE-7395779538 [1,1,0,0,0,0|1,0,0]=3 1901 B9R1.11 O=C(CCl)C1CCCN1 MCULE-3650713124 [1,1,0,0,0,0|2,0,0]=4 1902 B9R1.11 O=C(CCl)C1CCCO1 MCULE-4619044936 [1,1,0,0,0,0|2,0,0]=4 1903 B9R1.11 O=C(CCl)N1CCCC1 MCULE-3675689386 [1,1,0,0,0,0|2,0,0]=4 1904 B9R1.11 O=C(CO)N1CCCC1 MCULE-6227389604 [1,1,0,0,0,0|1,0,0]=3 1905 B9R1.11 O=C(NO)C1=CCCC1 MCULE-3789818826 [1,1,0,0,0,0|0,0,2]=4 1906 B9R1.11 O=C(NO)C1CCCC1 MCULE-3511706426 [1,1,0,0,0,0|0,0,0]=2 1907 B9R1.19 CC(C)(O)C1CCCC1 MCULE-5080602177 [1,1,0,0,0,0|1,0,1]=4 1908 B9R1.19 CS(=N)(=O)C1CCCC1 MCULE-8190422965 [1,1,0,0,0,0|2,0,0]=4 1909 B9R1.19 NS(=O)(=O)C1CCCC1 MCULE-9765667947 [1,1,0,0,0,0|1,0,1]=4 1910 B9R1.19 O=P(O)(O)C1CCCN1 MCULE-1507527616 [1,1,0,0,0,0|2,0,0]=4 1911 B9R1.19 O=P(O)(O)C1CCCN1 MCULE-9994872613 [1,1,0,0,0,0|2,0,0]=4 1912 B9R1.19 O=S(=O)(Cl)C1CCCC1 MCULE-7841465275 [1,1,0,0,0,0|1,0,1]=4 1913 B9R1.19 O=S(=O)(O)C1CCCC1 MCULE-7644931575 [1,1,0,0,0,0|1,0,0]=3 1914 B9R1.19 O=S(=O)([O-])C1CCCC1 MCULE-4567108567 [1,1,0,0,0,0|1,0,1]=4 1915 B9R1.35 C1(CCC(=O)C1)C(=O)O MCULE-7485965564 [1,1,0,0,0,0|0,0,1]=3 1916 B9R1.35 C1(CCC(=O)O1)C(=O)O MCULE-6663255579 [1,1,0,0,0,0|1,0,1]=4 1917 B9R1.35 C1(CCN(C1)C(=O)C)O MCULE-2995435877 [1,1,0,0,0,0|2,0,0]=4 1918 B9R1.35 C1(CCN(C1)C)C(=O)O MCULE-6561840637 [1,1,0,0,0,0|1,0,0]=3 1919 B9R1.35 C1(CCN(C1)C)C(=O)O MCULE-7766846765 [1,1,0,0,0,0|1,0,0]=3 1920 B9R1.35 C=C1CCC(C1)C(=O)O MCULE-7982355069 [1,1,0,0,0,0|0,0,1]=3 1921 B9R1.35 CC(=O)C1CCN(C1)C MCULE-4293303594 [1,1,0,0,0,0|2,0,0]=4 1922 B9R1.35 CC(=O)N1CCC(C1)Br MCULE-8355936501 [1,1,0,0,0,0|2,0,0]=4 1923 B9R1.35 CC(=O)N1CCC(C1)Cl MCULE-6832350132 [1,1,0,0,0,0|2,0,0]=4 1924 B9R1.35 CC(=O)N1CCC(C1)I MCULE-8317311112 [1,1,0,0,0,0|2,0,0]=4 1925 B9R1.35 CC(=O)N1CCC(C1)N MCULE-4859899694 [1,1,0,0,0,0|2,0,0]=4 1926 B9R1.35 CC(=O)N1CCC(C1)N MCULE-5207016672 [1,1,0,0,0,0|2,0,0]=4 1927 B9R1.35 CC(=O)N1CCC(C1)O MCULE-4508537142 [1,1,0,0,0,0|2,0,0]=4 1928 B9R1.35 CC(=O)N1CC[C@@H](C1)Br MCULE-1322966275 [1,1,0,0,0,0|2,0,0]=4 1929 B9R1.35 CC(=O)N1CC[C@@H](C1)Cl MCULE-2029967624 [1,1,0,0,0,0|2,0,0]=4 1930 B9R1.35 CC(=O)N1CC[C@@H](C1)I MCULE-7320383470 [1,1,0,0,0,0|2,0,0]=4 1931 B9R1.35 CC(=O)N1CC[C@@H](C1)N MCULE-2398948421 [1,1,0,0,0,0|2,0,0]=4 1932 B9R1.35 CC(=O)N1CC[C@@H](C1)N MCULE-5902852942 [1,1,0,0,0,0|2,0,0]=4 1933 B9R1.35 CC(=O)N1CC[C@@H](C1)N MCULE-7792031754 [1,1,0,0,0,0|2,0,0]=4 1934 B9R1.35 CC(=O)N1CC[C@@H](C1)N MCULE-9501815600 [1,1,0,0,0,0|2,0,0]=4 1935 B9R1.35 CC(=O)N1CC[C@@H](C1)O MCULE-4145127323 [1,1,0,0,0,0|2,0,0]=4 1936 B9R1.35 CC(=O)N1CC[C@@H](C1)O MCULE-8205833952 [1,1,0,0,0,0|2,0,0]=4 1937 B9R1.35 CC(=O)N1CC[C@H](C1)Br MCULE-4315476515 [1,1,0,0,0,0|2,0,0]=4 1938 B9R1.35 CC(=O)N1CC[C@H](C1)Cl MCULE-4172580306 [1,1,0,0,0,0|2,0,0]=4 1939 B9R1.35 CC(=O)N1CC[C@H](C1)I MCULE-1825691667 [1,1,0,0,0,0|2,0,0]=4 1940 B9R1.35 CC(=O)N1CC[C@H](C1)N MCULE-2775875761 [1,1,0,0,0,0|2,0,0]=4 1941 B9R1.35 CC(=O)N1CC[C@H](C1)N MCULE-3800389790 [1,1,0,0,0,0|2,0,0]=4 1942 B9R1.35 CC(=O)N1CC[C@H](C1)N MCULE-5934390450 [1,1,0,0,0,0|2,0,0]=4 1943 B9R1.35 CC(=O)N1CC[C@H](C1)N MCULE-6629805054 [1,1,0,0,0,0|2,0,0]=4 1944 B9R1.35 CC(=O)N1CC[C@H](C1)O MCULE-1031340554 [1,1,0,0,0,0|2,0,0]=4 1945 B9R1.35 CC(=O)N1CC[C@H](C1)O MCULE-1348897751 [1,1,0,0,0,0|2,0,0]=4 1946 B9R1.35 CC1=NC(CC1)C(=O)O MCULE-1278773172 [1,1,0,0,0,0|1,0,1]=4 1947 B9R1.35 CC1=NC(CC1)C(=O)O MCULE-5768248357 [1,1,0,0,0,0|1,0,1]=4 1948 B9R1.35 CC1CC(CO1)C(=O)O MCULE-6422706201 [1,1,0,0,0,0|1,0,0]=3 1949 B9R1.35 CC1CCC(C1)C(=O)O MCULE-5009837194 [1,1,0,0,0,0|0,0,0]=2 1950 B9R1.35 CC1CCC(N1)C(=O)O MCULE-7716142893 [1,1,0,0,0,0|1,0,0]=3 1951 B9R1.35 CC1CCC(N1)C(=O)O MCULE-7805688291 [1,1,0,0,0,0|1,0,0]=3 1952 B9R1.35 CC1CCC(O1)C(=O)O MCULE-7354058760 [1,1,0,0,0,0|1,0,0]=3 1953 B9R1.35 CC1CCN(C1)C(=O)Cl MCULE-4918001156 [1,1,0,0,0,0|2,0,0]=4 1954 B9R1.35 CC1CNC(C1)C(=O)O MCULE-5999128275 [1,1,0,0,0,0|1,0,0]=3 1955 B9R1.35 CC1CNC(C1)C(=O)O MCULE-9035040660 [1,1,0,0,0,0|1,0,0]=3 1956 B9R1.35 CC1COC(C1)C(=O)O MCULE-4317519603 [1,1,0,0,0,0|1,0,0]=3 1957 B9R1.35 CC1NC(CS1)C(=O)O MCULE-3100233154 [1,1,0,0,0,0|2,0,0]=4 1958 B9R1.35 CC1N[C@H](CS1)C(=O)O MCULE-6392464999 [1,1,0,0,0,0|2,0,0]=4 1959 B9R1.35 CN1CCC(C1)C(=O)O MCULE-5724245212 [1,1,0,0,0,0|1,0,0]=3 1960 B9R1.35 CN1CCC(C1)C(=O)O MCULE-6263233064 [1,1,0,0,0,0|1,0,0]=3 1961 B9R1.35 CN1CC[C@@H](C1)C(=O)O MCULE-1382244459 [1,1,0,0,0,0|1,0,0]=3 1962 B9R1.35 CN1CC[C@@H](C1)C(=O)O MCULE-1492032594 [1,1,0,0,0,0|1,0,0]=3 1963 B9R1.35 CN1CC[C@H](C1)C(=O)O MCULE-1080921095 [1,1,0,0,0,0|1,0,0]=3 1964 B9R1.35 CN1CC[C@H](C1)C(=O)O MCULE-5145674459 [1,1,0,0,0,0|1,0,0]=3 1965 B9R1.35 CN1CC[C@H](C1)C(=O)O MCULE-5820812779 [1,1,0,0,0,0|1,0,0]=3 1966 B9R1.35 CN1CC[C@H](C1)C(=O)O MCULE-7587726735 [1,1,0,0,0,0|1,0,0]=3 1967 B9R1.35 CS(=O)C1CCC(C1)N MCULE-2472662986 [1,1,0,0,0,0|2,0,0]=4 1968 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O MCULE-1712610304 [1,1,0,0,0,0|1,0,0]=3 1969 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O MCULE-3564743814 [1,1,0,0,0,0|1,0,0]=3 1970 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O MCULE-2451266259 [1,1,0,0,0,0|1,0,0]=3 1971 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O MCULE-9559412763 [1,1,0,0,0,0|1,0,0]=3 1972 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-1486502980 [1,1,0,0,0,0|1,0,0]=3 1973 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-2728269167 [1,1,0,0,0,0|1,0,0]=3 1974 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-4518040079 [1,1,0,0,0,0|1,0,0]=3 1975 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-5687588737 [1,1,0,0,0,0|1,0,0]=3 1976 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-5969663507 [1,1,0,0,0,0|1,0,0]=3 1977 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-7325534692 [1,1,0,0,0,0|1,0,0]=3 1978 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-1541572989 [1,1,0,0,0,0|1,0,0]=3 1979 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-1821254522 [1,1,0,0,0,0|1,0,0]=3 1980 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-7426280517 [1,1,0,0,0,0|1,0,0]=3 1981 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-8599307960 [1,1,0,0,0,0|1,0,0]=3 1982 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-3116688346 [1,1,0,0,0,0|1,0,0]=3 1983 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-3630959366 [1,1,0,0,0,0|1,0,0]=3 1984 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-9043504063 [1,1,0,0,0,0|1,0,0]=3 1985 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-9322368857 [1,1,0,0,0,0|1,0,0]=3 1986 B9R1.35 C[C@H]1CN[C@@H](C1)C(=O)O MCULE-2036600768 [1,1,0,0,0,0|1,0,0]=3 1987 B9R1.35 C[C@H]1CN[C@@H](C1)C(=O)O MCULE-4646350445 [1,1,0,0,0,0|1,0,0]=3 1988 B9R1.35 C[C@H]1CN[C@H](C1)C(=O)O MCULE-2974063836 [1,1,0,0,0,0|1,0,0]=3 1989 B9R1.35 C[C@H]1CN[C@H](C1)C(=O)O MCULE-7564386283 [1,1,0,0,0,0|1,0,0]=3 1990 B9R1.35 NC(=O)C1CC(CN1)F MCULE-8271084148 [1,1,0,0,0,0|2,0,0]=4 1991 B9R1.35 NC(=O)C1CC(CN1)F MCULE-9864087367 [1,1,0,0,0,0|2,0,0]=4 1992 B9R1.35 NC(=O)C1CC(CN1)O MCULE-8628888959 [1,1,0,0,0,0|2,0,0]=4 1993 B9R1.35 NC(=O)C1CC(CN1)O MCULE-9327040437 [1,1,0,0,0,0|2,0,0]=4 1994 B9R1.35 NC(=O)N1CCC(C1)N MCULE-1767398338 [1,1,0,0,0,0|2,0,0]=4 1995 B9R1.35 NC(=O)N1CCC(C1)N MCULE-2883297977 [1,1,0,0,0,0|2,0,0]=4 1996 B9R1.35 NC(=O)[C@@H]1CC[C@@H](C1)N MCULE-7570889128 [1,1,0,0,0,0|1,0,0]=3 1997 B9R1.35 NC(=O)[C@@H]1CC[C@@H](C1)N MCULE-8629602486 [1,1,0,0,0,0|1,0,0]=3 1998 B9R1.35 NC(=O)[C@@H]1C[C@@H](CN1)F MCULE-1115995515 [1,1,0,0,0,0|2,0,0]=4 1999 B9R1.35 NC(=O)[C@@H]1C[C@@H](CN1)F MCULE-3958905536 [1,1,0,0,0,0|2,0,0]=4 2000 B9R1.35 NC(=O)[C@@H]1C[C@@H](CN1)F MCULE-5421731805 [1,1,0,0,0,0|2,0,0]=4 2001 B9R1.35 NC(=O)[C@@H]1C[C@@H](CN1)F MCULE-9864372515 [1,1,0,0,0,0|2,0,0]=4 2002 B9R1.35 NC(=O)[C@@H]1C[C@@H](CN1)O MCULE-1506534259 [1,1,0,0,0,0|2,0,0]=4 2003 B9R1.35 NC(=O)[C@@H]1C[C@@H](CN1)O MCULE-4335155413 [1,1,0,0,0,0|2,0,0]=4 2004 B9R1.35 NC(=O)[C@@H]1C[C@H](CN1)F MCULE-2111867079 [1,1,0,0,0,0|2,0,0]=4 2005 B9R1.35 NC(=O)[C@@H]1C[C@H](CN1)F MCULE-2486268743 [1,1,0,0,0,0|2,0,0]=4 2006 B9R1.35 NC(=O)[C@@H]1C[C@H](CN1)F MCULE-8625619596 [1,1,0,0,0,0|2,0,0]=4 2007 B9R1.35 NC(=O)[C@@H]1C[C@H](CN1)O MCULE-1442980635 [1,1,0,0,0,0|2,0,0]=4 2008 B9R1.35 NC(=O)[C@@H]1C[C@H](CN1)O MCULE-4854132547 [1,1,0,0,0,0|2,0,0]=4 2009 B9R1.35 NC(=O)[C@@H]1C[C@H](CN1)O MCULE-8175631848 [1,1,0,0,0,0|2,0,0]=4 2010 B9R1.35 NC(=O)[C@@H]1C[C@H](CN1)O MCULE-9092665787 [1,1,0,0,0,0|2,0,0]=4 2011 B9R1.35 NC(=O)[C@H]1C[C@H](CN1)O MCULE-1212665796 [1,1,0,0,0,0|2,0,0]=4 2012 B9R1.35 NC(=O)[C@H]1C[C@H](CN1)O MCULE-2172080185 [1,1,0,0,0,0|2,0,0]=4 2013 B9R1.35 NC(=O)[C@H]1C[C@H](CN1)O MCULE-2463066874 [1,1,0,0,0,0|2,0,0]=4 2014 B9R1.35 NC(=O)[C@H]1C[C@H](CN1)O MCULE-7245012102 [1,1,0,0,0,0|2,0,0]=4 2015 B9R1.35 NC1C=CC(C1)C(=O)O MCULE-7513224290 [1,1,0,0,0,0|0,0,2]=4 2016 B9R1.35 NC1C=CC(C1)C(=O)O MCULE-8369262706 [1,1,0,0,0,0|0,0,2]=4 2017 B9R1.35 NC1CC=C(C1)C(=O)O MCULE-7944190057 [1,1,0,0,0,0|0,0,2]=4 2018 B9R1.35 NC1CC=C(C1)C(=O)O MCULE-9202589777 [1,1,0,0,0,0|0,0,2]=4 2019 B9R1.35 NC1CCC(C1)C(=O)O MCULE-1740452568 [1,1,0,0,0,0|0,0,0]=2 2020 B9R1.35 NC1CCC(C1)C(=O)O MCULE-4067702279 [1,1,0,0,0,0|0,0,0]=2 2021 B9R1.35 NC1CNC(C1)C(=O)O MCULE-1416144501 [1,1,0,0,0,0|1,0,0]=3 2022 B9R1.35 NC1CNC(C1)C(=O)O MCULE-4706388278 [1,1,0,0,0,0|1,0,0]=3 2023 B9R1.35 N[C@@H]1C=C[C@@H](C1)C(=O)O MCULE-2058033578 [1,1,0,0,0,0|0,0,2]=4 2024 B9R1.35 N[C@@H]1C=C[C@@H](C1)C(=O)O MCULE-3535904120 [1,1,0,0,0,0|0,0,2]=4 2025 B9R1.35 N[C@@H]1C=C[C@@H](C1)C(=O)O MCULE-7864688668 [1,1,0,0,0,0|0,0,2]=4 2026 B9R1.35 N[C@@H]1C=C[C@@H](C1)C(=O)O MCULE-9488093105 [1,1,0,0,0,0|0,0,2]=4 2027 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-1729778339 [1,1,0,0,0,0|0,0,0]=2 2028 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-2964730214 [1,1,0,0,0,0|0,0,0]=2 2029 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-6758665117 [1,1,0,0,0,0|0,0,0]=2 2030 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-8002401712 [1,1,0,0,0,0|0,0,0]=2 2031 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-1941635524 [1,1,0,0,0,0|0,0,0]=2 2032 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-3306995596 [1,1,0,0,0,0|0,0,0]=2 2033 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-5728201062 [1,1,0,0,0,0|0,0,0]=2 2034 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-8515718052 [1,1,0,0,0,0|0,0,0]=2 2035 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O MCULE-4990800122 [1,1,0,0,0,0|1,0,0]=3 2036 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O MCULE-5172267597 [1,1,0,0,0,0|1,0,0]=3 2037 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O MCULE-7010431429 [1,1,0,0,0,0|1,0,0]=3 2038 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O MCULE-8754522437 [1,1,0,0,0,0|1,0,0]=3 2039 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O MCULE-4906071490 [1,1,0,0,0,0|1,0,0]=3 2040 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O MCULE-7656739611 [1,1,0,0,0,0|1,0,0]=3 2041 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O MCULE-8732136397 [1,1,0,0,0,0|1,0,0]=3 2042 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O MCULE-9871023526 [1,1,0,0,0,0|1,0,0]=3 2043 B9R1.35 N[C@H]1C=C[C@@H](C1)C(=O)O MCULE-1866924065 [1,1,0,0,0,0|0,0,2]=4 2044 B9R1.35 N[C@H]1C=C[C@@H](C1)C(=O)O MCULE-5420586850 [1,1,0,0,0,0|0,0,2]=4 2045 B9R1.35 N[C@H]1C=C[C@@H](C1)C(=O)O MCULE-6933168017 [1,1,0,0,0,0|0,0,2]=4 2046 B9R1.35 N[C@H]1C=C[C@H](C1)C(=O)O MCULE-1923367161 [1,1,0,0,0,0|0,0,2]=4 2047 B9R1.35 N[C@H]1C=C[C@H](C1)C(=O)O MCULE-2558762790 [1,1,0,0,0,0|0,0,2]=4 2048 B9R1.35 N[C@H]1C=C[C@H](C1)C(=O)O MCULE-2767032719 [1,1,0,0,0,0|0,0,2]=4 2049 B9R1.35 N[C@H]1C=C[C@H](C1)C(=O)O MCULE-3230012761 [1,1,0,0,0,0|0,0,2]=4 2050 B9R1.35 N[C@H]1C=C[C@H](C1)C(=O)O MCULE-5898455500 [1,1,0,0,0,0|0,0,2]=4 2051 B9R1.35 N[C@H]1C=C[C@H](C1)C(=O)O MCULE-8841082803 [1,1,0,0,0,0|0,0,2]=4 2052 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-3382663689 [1,1,0,0,0,0|0,0,0]=2 2053 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-7889100863 [1,1,0,0,0,0|0,0,0]=2 2054 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-9213747671 [1,1,0,0,0,0|0,0,0]=2 2055 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-9781594017 [1,1,0,0,0,0|0,0,0]=2 2056 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-1569946940 [1,1,0,0,0,0|0,0,0]=2 2057 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-1675680486 [1,1,0,0,0,0|0,0,0]=2 2058 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-1903292573 [1,1,0,0,0,0|0,0,0]=2 2059 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-6695566760 [1,1,0,0,0,0|0,0,0]=2 2060 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-6999679319 [1,1,0,0,0,0|0,0,0]=2 2061 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-8009804408 [1,1,0,0,0,0|0,0,0]=2 2062 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-1698400731 [1,1,0,0,0,0|1,0,0]=3 2063 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-1983861108 [1,1,0,0,0,0|1,0,0]=3 2064 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-2838978471 [1,1,0,0,0,0|1,0,0]=3 2065 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-5103662767 [1,1,0,0,0,0|1,0,0]=3 2066 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-5299594489 [1,1,0,0,0,0|1,0,0]=3 2067 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-6235136925 [1,1,0,0,0,0|1,0,0]=3 2068 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-8629641721 [1,1,0,0,0,0|1,0,0]=3 2069 B9R1.35 N[C@H]1CN[C@H](C1)C(=O)O MCULE-2973551231 [1,1,0,0,0,0|1,0,0]=3 2070 B9R1.35 N[C@H]1CN[C@H](C1)C(=O)O MCULE-3190600485 [1,1,0,0,0,0|1,0,0]=3 2071 B9R1.35 O=C(O)C1=CC(CC1)O MCULE-6046983646 [1,1,0,0,0,0|0,0,2]=4 2072 B9R1.35 O=C(O)C1CC(CN1)Br MCULE-3420644560 [1,1,0,0,0,0|1,0,0]=3 2073 B9R1.35 O=C(O)C1CC(CN1)F MCULE-1909829604 [1,1,0,0,0,0|1,0,0]=3 2074 B9R1.35 O=C(O)C1CC(CN1)F MCULE-4908563055 [1,1,0,0,0,0|1,0,0]=3 2075 B9R1.35 O=C(O)C1CC(CN1)O MCULE-3129945874 [1,1,0,0,0,0|1,0,0]=3 2076 B9R1.35 O=C(O)C1CC(CN1)O MCULE-5090896550 [1,1,0,0,0,0|1,0,0]=3 2077 B9R1.35 O=C(O)C1CC(CN1)S MCULE-3928449068 [1,1,0,0,0,0|1,0,0]=3 2078 B9R1.35 O=C(O)C1CC(CN1)S MCULE-7523385510 [1,1,0,0,0,0|1,0,0]=3 2079 B9R1.35 O=C(O)C1CCC(C1)Br MCULE-3893521468 [1,1,0,0,0,0|0,0,0]=2 2080 B9R1.35 O=C(O)C1CCC(C1)F MCULE-5981771251 [1,1,0,0,0,0|0,0,0]=2 2081 B9R1.35 O=C(O)C1CCC(C1)O MCULE-3301759971 [1,1,0,0,0,0|0,0,0]=2 2082 B9R1.35 O=C(O)C1OC(CS1)O MCULE-2827262093 [1,1,0,0,0,0|2,0,0]=4 2083 B9R1.35 O=C(O)[C@@H]1CC(CN1)O MCULE-9602889253 [1,1,0,0,0,0|1,0,0]=3 2084 B9R1.35 O=C(O)[C@@H]1CC(CN1)S MCULE-6078892837 [1,1,0,0,0,0|1,0,0]=3 2085 B9R1.35 O=C(O)[C@@H]1CC(CN1)S MCULE-6607761456 [1,1,0,0,0,0|1,0,0]=3 2086 B9R1.35 O=C(O)[C@@H]1CC[C@@H](C1)O MCULE-2017780821 [1,1,0,0,0,0|0,0,0]=2 2087 B9R1.35 O=C(O)[C@@H]1CC[C@@H](C1)O MCULE-8789755356 [1,1,0,0,0,0|0,0,0]=2 2088 B9R1.35 O=C(O)[C@@H]1CC[C@H](C1)O MCULE-6133795580 [1,1,0,0,0,0|0,0,0]=2 2089 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)Br MCULE-2600938020 [1,1,0,0,0,0|1,0,0]=3 2090 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)Br MCULE-3945615781 [1,1,0,0,0,0|1,0,0]=3 2091 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)F MCULE-2626475344 [1,1,0,0,0,0|1,0,0]=3 2092 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)F MCULE-4367319835 [1,1,0,0,0,0|1,0,0]=3 2093 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)F MCULE-9011373659 [1,1,0,0,0,0|1,0,0]=3 2094 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)F MCULE-9484602400 [1,1,0,0,0,0|1,0,0]=3 2095 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-2778155463 [1,1,0,0,0,0|1,0,0]=3 2096 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-3005368457 [1,1,0,0,0,0|1,0,0]=3 2097 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-3510440810 [1,1,0,0,0,0|1,0,0]=3 2098 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-6982589556 [1,1,0,0,0,0|1,0,0]=3 2099 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-8797295826 [1,1,0,0,0,0|1,0,0]=3 2100 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)S MCULE-5195240463 [1,1,0,0,0,0|1,0,0]=3 2101 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)S MCULE-6442187313 [1,1,0,0,0,0|1,0,0]=3 2102 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)S MCULE-6472004515 [1,1,0,0,0,0|1,0,0]=3 2103 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)S MCULE-8668690351 [1,1,0,0,0,0|1,0,0]=3 2104 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)F MCULE-2784186920 [1,1,0,0,0,0|1,0,0]=3 2105 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)F MCULE-5745425542 [1,1,0,0,0,0|1,0,0]=3 2106 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)F MCULE-9253930917 [1,1,0,0,0,0|1,0,0]=3 2107 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)F MCULE-9892414269 [1,1,0,0,0,0|1,0,0]=3 2108 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-4157512603 [1,1,0,0,0,0|1,0,0]=3 2109 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-5389747201 [1,1,0,0,0,0|1,0,0]=3 2110 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-6465399562 [1,1,0,0,0,0|1,0,0]=3 2111 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-7830616263 [1,1,0,0,0,0|1,0,0]=3 2112 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-1140594774 [1,1,0,0,0,0|1,0,0]=3 2113 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-2383846785 [1,1,0,0,0,0|1,0,0]=3 2114 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-2747224270 [1,1,0,0,0,0|1,0,0]=3 2115 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-5598470577 [1,1,0,0,0,0|1,0,0]=3 2116 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-7268471922 [1,1,0,0,0,0|1,0,0]=3 2117 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-9896850390 [1,1,0,0,0,0|1,0,0]=3 2118 B9R1.35 O=C(O)[C@H]1CC[C@@H](C1)O MCULE-3061487094 [1,1,0,0,0,0|0,0,0]=2 2119 B9R1.35 O=C(O)[C@H]1CC[C@@H](C1)O MCULE-8079944181 [1,1,0,0,0,0|0,0,0]=2 2120 B9R1.35 O=C(O)[C@H]1CC[C@H](C1)O MCULE-2713143734 [1,1,0,0,0,0|0,0,0]=2 2121 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)F MCULE-1499004749 [1,1,0,0,0,0|1,0,0]=3 2122 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)F MCULE-4961028667 [1,1,0,0,0,0|1,0,0]=3 2123 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)F MCULE-9323854334 [1,1,0,0,0,0|1,0,0]=3 2124 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-1222229718 [1,1,0,0,0,0|1,0,0]=3 2125 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-1998693022 [1,1,0,0,0,0|1,0,0]=3 2126 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-3836053642 [1,1,0,0,0,0|1,0,0]=3 2127 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-4545441904 [1,1,0,0,0,0|1,0,0]=3 2128 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-8358409700 [1,1,0,0,0,0|1,0,0]=3 2129 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)F MCULE-1326882154 [1,1,0,0,0,0|1,0,0]=3 2130 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)F MCULE-4409765623 [1,1,0,0,0,0|1,0,0]=3 2131 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)F MCULE-5169579313 [1,1,0,0,0,0|1,0,0]=3 2132 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)F MCULE-8834390438 [1,1,0,0,0,0|1,0,0]=3 2133 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-3080568728 [1,1,0,0,0,0|1,0,0]=3 2134 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-4521316626 [1,1,0,0,0,0|1,0,0]=3 2135 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-5972935636 [1,1,0,0,0,0|1,0,0]=3 2136 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-7908625938 [1,1,0,0,0,0|1,0,0]=3 2137 B9R1.35 O=C1CC(CN1)C(=O)O MCULE-2190630193 [1,1,0,0,0,0|1,0,1]=4 2138 B9R1.35 O=C1CC(CO1)C(=O)O MCULE-4876585769 [1,1,0,0,0,0|1,0,1]=4 2139 B9R1.35 O=C1CC(CS1)C(=O)O MCULE-5763665475 [1,1,0,0,0,0|1,0,1]=4 2140 B9R1.35 O=C1CCC(C1)C(=O)O MCULE-8715651663 [1,1,0,0,0,0|0,0,1]=3 2141 B9R1.35 O=C1CCC(N1)C(=O)O MCULE-4175874303 [1,1,0,0,0,0|1,0,1]=4 2142 B9R1.35 O=C1CCC(N1)C(=O)O MCULE-9028773140 [1,1,0,0,0,0|1,0,1]=4 2143 B9R1.35 O=C1CCC(O1)C(=O)O MCULE-1992756541 [1,1,0,0,0,0|1,0,1]=4 2144 B9R1.35 O=C1CCC(S1)C(=O)O MCULE-8929436839 [1,1,0,0,0,0|1,0,1]=4 2145 B9R1.35 O=C1CC[C@@H](C1)C(=O)O MCULE-1554776363 [1,1,0,0,0,0|0,0,1]=3 2146 B9R1.35 O=C1CC[C@@H](C1)C(=O)O MCULE-4649943680 [1,1,0,0,0,0|0,0,1]=3 2147 B9R1.35 O=C1CC[C@@H](N1)C(=O)O MCULE-5900221010 [1,1,0,0,0,0|1,0,1]=4 2148 B9R1.35 O=C1CC[C@@H](N1)C(=O)O MCULE-8170238114 [1,1,0,0,0,0|1,0,1]=4 2149 B9R1.35 O=C1CC[C@@H](O1)C(=O)O MCULE-1446049605 [1,1,0,0,0,0|1,0,1]=4 2150 B9R1.35 O=C1CC[C@@H](O1)C(=O)O MCULE-6745317325 [1,1,0,0,0,0|1,0,1]=4 2151 B9R1.35 O=C1CC[C@H](C1)C(=O)O MCULE-6597072682 [1,1,0,0,0,0|0,0,1]=3 2152 B9R1.35 O=C1CC[C@H](C1)C(=O)O MCULE-7880064966 [1,1,0,0,0,0|0,0,1]=3 2153 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-4204877494 [1,1,0,0,0,0|1,0,1]=4 2154 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-4908547112 [1,1,0,0,0,0|1,0,1]=4 2155 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-6422141688 [1,1,0,0,0,0|1,0,1]=4 2156 B9R1.35 O=C1CC[C@H](O1)C(=O)O MCULE-5669975621 [1,1,0,0,0,0|1,0,1]=4 2157 B9R1.35 O=C1CC[C@H](O1)C(=O)O MCULE-7113736527 [1,1,0,0,0,0|1,0,1]=4 2158 B9R1.35 O=C1CC[C@H](S1)C(=O)O MCULE-4843749267 [1,1,0,0,0,0|1,0,1]=4 2159 B9R1.35 O=C1CNC(C1)C(=O)O MCULE-7418065190 [1,1,0,0,0,0|1,0,1]=4 2160 B9R1.35 O=C1CNC(C1)C(=O)O MCULE-7697956784 [1,1,0,0,0,0|1,0,1]=4 2161 B9R1.35 O=C1CNC(C1)C(=O)O MCULE-9520720032 [1,1,0,0,0,0|1,0,1]=4 2162 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-2573903934 [1,1,0,0,0,0|1,0,1]=4 2163 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-3585746586 [1,1,0,0,0,0|1,0,1]=4 2164 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-4771747932 [1,1,0,0,0,0|1,0,1]=4 2165 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-4795592072 [1,1,0,0,0,0|1,0,1]=4 2166 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-6928857625 [1,1,0,0,0,0|1,0,1]=4 2167 B9R1.35 O=C1COC(C1)C(=O)O MCULE-4720798204 [1,1,0,0,0,0|1,0,1]=4 2168 B9R1.35 O=C1CSC(C1)C(=O)O MCULE-3309649635 [1,1,0,0,0,0|1,0,1]=4 2169 B9R1.35 O=C1C[C@@H](CN1)C(=O)O MCULE-5673992530 [1,1,0,0,0,0|1,0,1]=4 2170 B9R1.35 O=C1C[C@@H](CN1)C(=O)O MCULE-8443757903 [1,1,0,0,0,0|1,0,1]=4 2171 B9R1.35 O=C1C[C@H](CN1)C(=O)O MCULE-1024601569 [1,1,0,0,0,0|1,0,1]=4 2172 B9R1.35 O=C1C[C@H](CN1)C(=O)O MCULE-4280238532 [1,1,0,0,0,0|1,0,1]=4 2173 B9R1.35 [C@@H]1(CN[C@H](C1)C(=O)O)O MCULE-3075663401 [1,1,0,0,0,0|1,0,0]=3 2174 B9R1.35 [C@H]1(CC[C@H](C1)C(=O)O)N MCULE-1734860042 [1,1,0,0,0,0|0,0,0]=2 2175 B9R1.35 [C@H]1(CC[C@H](C1)C(=O)O)N MCULE-3698574567 [1,1,0,0,0,0|0,0,0]=2 2176 B9R1.35 [C@H]1(CN[C@@H](C1)C(=O)N)F MCULE-2355223336 [1,1,0,0,0,0|2,0,0]=4 2177 B9R1.35 [C@H]1(CN[C@@H](C1)C(=O)N)F MCULE-2483830451 [1,1,0,0,0,0|2,0,0]=4 2178 B9R1.35 [C@H]1(CN[C@@H](C1)C(=O)O)F MCULE-1784559931 [1,1,0,0,0,0|1,0,0]=3 2179 B9R1.35 [C@H]1(CN[C@@H](C1)C(=O)O)F MCULE-8392302309 [1,1,0,0,0,0|1,0,0]=3 2180 B9R1.35 [C@H]1(CN[C@@H](C1)C(=O)O)S MCULE-7662717521 [1,1,0,0,0,0|1,0,0]=3 2181 B9R1.35 [C@H]1(CN[C@H](C1)C(=O)O)F MCULE-2026019561 [1,1,0,0,0,0|1,0,0]=3 2182 B9R1.35 [C@H]1(CN[C@H](C1)C(=O)O)F MCULE-8023038198 [1,1,0,0,0,0|1,0,0]=3 2183 B9R1.35 [C@H]1(C[C@H](CN1)O)C(=O)O MCULE-3462627258 [1,1,0,0,0,0|1,0,0]=3 2184 B9R1.41 C1(CCCN1C)C(=O)O MCULE-7988130618 [1,1,0,0,0,0|1,0,0]=3 2185 B9R1.41 CC(=O)C1CCCC1=O MCULE-8152440536 [1,1,0,0,0,0|1,0,1]=4 2186 B9R1.41 CC1=C(CCC1)C(=O)O MCULE-4166872703 [1,1,0,0,0,0|0,0,2]=4 2187 B9R1.41 CC1CCCC1C(=O)O MCULE-5150428001 [1,1,0,0,0,0|0,0,0]=2 2188 B9R1.41 CC1CCNC1C(=O)O MCULE-3835684911 [1,1,0,0,0,0|1,0,0]=3 2189 B9R1.41 CC1CCNC1C(=O)O MCULE-8361777649 [1,1,0,0,0,0|1,0,0]=3 2190 B9R1.41 CC1CNCC1C(=O)O MCULE-1581522558 [1,1,0,0,0,0|1,0,0]=3 2191 B9R1.41 CC1CNCC1C(=O)O MCULE-6848551085 [1,1,0,0,0,0|1,0,0]=3 2192 B9R1.41 CC1NCCC1C(=O)O MCULE-5042669811 [1,1,0,0,0,0|1,0,0]=3 2193 B9R1.41 CC1NCCC1C(=O)O MCULE-8546677468 [1,1,0,0,0,0|1,0,0]=3 2194 B9R1.41 CC1OCCC1C(=O)O MCULE-4181521736 [1,1,0,0,0,0|1,0,0]=3 2195 B9R1.41 CN1CCCC1C(=O)N MCULE-1474656837 [1,1,0,0,0,0|2,0,0]=4 2196 B9R1.41 CN1CCCC1C(=O)O MCULE-4884381644 [1,1,0,0,0,0|1,0,0]=3 2197 B9R1.41 CN1CCCC1C(=O)O MCULE-6241162207 [1,1,0,0,0,0|1,0,0]=3 2198 B9R1.41 CN1CCCC1C(=O)O MCULE-7232060205 [1,1,0,0,0,0|1,0,0]=3 2199 B9R1.41 CN1CCC[C@@H]1C(=O)N MCULE-1129223179 [1,1,0,0,0,0|2,0,0]=4 2200 B9R1.41 CN1CCC[C@@H]1C(=O)N MCULE-1418743058 [1,1,0,0,0,0|2,0,0]=4 2201 B9R1.41 CN1CCC[C@@H]1C(=O)O MCULE-3947573313 [1,1,0,0,0,0|1,0,0]=3 2202 B9R1.41 CN1CCC[C@@H]1C(=O)O MCULE-4168419254 [1,1,0,0,0,0|1,0,0]=3 2203 B9R1.41 CN1CCC[C@@H]1C(=O)O MCULE-6504349835 [1,1,0,0,0,0|1,0,0]=3 2204 B9R1.41 CN1CCC[C@@H]1C(=O)O MCULE-9943329201 [1,1,0,0,0,0|1,0,0]=3 2205 B9R1.41 CN1CCC[C@H]1C(=O)N MCULE-1155656545 [1,1,0,0,0,0|2,0,0]=4 2206 B9R1.41 CN1CCC[C@H]1C(=O)N MCULE-5987152150 [1,1,0,0,0,0|2,0,0]=4 2207 B9R1.41 CN1CCC[C@H]1C(=O)O MCULE-1661156416 [1,1,0,0,0,0|1,0,0]=3 2208 B9R1.41 CN1CCC[C@H]1C(=O)O MCULE-2535799805 [1,1,0,0,0,0|1,0,0]=3 2209 B9R1.41 CN1CCC[C@H]1C(=O)O MCULE-3283459585 [1,1,0,0,0,0|1,0,0]=3 2210 B9R1.41 CN1CCC[C@H]1C(=O)O MCULE-5506159927 [1,1,0,0,0,0|1,0,0]=3 2211 B9R1.41 CN1CSCC1C(=O)O MCULE-6053778396 [1,1,0,0,0,0|2,0,0]=4 2212 B9R1.41 CN1CSCC1C(=O)O MCULE-8768199445 [1,1,0,0,0,0|2,0,0]=4 2213 B9R1.41 CN1CSC[C@@H]1C(=O)O MCULE-9390031358 [1,1,0,0,0,0|2,0,0]=4 2214 B9R1.41 CN1CSC[C@H]1C(=O)O MCULE-2295281512 [1,1,0,0,0,0|2,0,0]=4 2215 B9R1.41 CN1CSC[C@H]1C(=O)O MCULE-3344236668 [1,1,0,0,0,0|2,0,0]=4 2216 B9R1.41 CN1CSC[C@H]1C(=O)O MCULE-6116857567 [1,1,0,0,0,0|2,0,0]=4 2217 B9R1.41 CN1CSC[C@H]1C(=O)O MCULE-7315008971 [1,1,0,0,0,0|2,0,0]=4 2218 B9R1.41 C[C@@H]1CCN[C@@H]1C(=O)O MCULE-6239309390 [1,1,0,0,0,0|1,0,0]=3 2219 B9R1.41 C[C@@H]1CCN[C@H]1C(=O)O MCULE-1608471752 [1,1,0,0,0,0|1,0,0]=3 2220 B9R1.41 C[C@@H]1CCN[C@H]1C(=O)O MCULE-2896759092 [1,1,0,0,0,0|1,0,0]=3 2221 B9R1.41 C[C@@H]1CCO[C@H]1C(=O)O MCULE-5338216485 [1,1,0,0,0,0|1,0,0]=3 2222 B9R1.41 C[C@@H]1CNC[C@H]1C(=O)O MCULE-3425733853 [1,1,0,0,0,0|1,0,0]=3 2223 B9R1.41 C[C@@H]1CNC[C@H]1C(=O)O MCULE-5424989009 [1,1,0,0,0,0|1,0,0]=3 2224 B9R1.41 C[C@@H]1NCC[C@@H]1C(=O)O MCULE-1674735474 [1,1,0,0,0,0|1,0,0]=3 2225 B9R1.41 C[C@@H]1NCC[C@H]1C(=O)O MCULE-8959062032 [1,1,0,0,0,0|1,0,0]=3 2226 B9R1.41 C[C@@H]1NCC[C@H]1C(=O)O MCULE-9340754868 [1,1,0,0,0,0|1,0,0]=3 2227 B9R1.41 C[C@@H]1OCC[C@@H]1C(=O)O MCULE-4624227681 [1,1,0,0,0,0|1,0,0]=3 2228 B9R1.41 C[C@@H]1OCC[C@@H]1C(=O)O MCULE-4653588182 [1,1,0,0,0,0|1,0,0]=3 2229 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O MCULE-1694933393 [1,1,0,0,0,0|1,0,0]=3 2230 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O MCULE-9088637113 [1,1,0,0,0,0|1,0,0]=3 2231 B9R1.41 C[C@H]1CCN[C@H]1C(=O)O MCULE-1449988566 [1,1,0,0,0,0|1,0,0]=3 2232 B9R1.41 C[C@H]1NCC[C@@H]1C(=O)O MCULE-3190006541 [1,1,0,0,0,0|1,0,0]=3 2233 B9R1.41 C[C@H]1NCC[C@@H]1C(=O)O MCULE-7835079063 [1,1,0,0,0,0|1,0,0]=3 2234 B9R1.41 C[C@H]1NCC[C@H]1C(=O)O MCULE-1189864899 [1,1,0,0,0,0|1,0,0]=3 2235 B9R1.41 C[C@H]1NCC[C@H]1C(=O)O MCULE-8012665255 [1,1,0,0,0,0|1,0,0]=3 2236 B9R1.41 NC(=O)C1CCCC1=O MCULE-2399127943 [1,1,0,0,0,0|1,0,1]=4 2237 B9R1.41 NC(=O)C1CCCC1N MCULE-5593863466 [1,1,0,0,0,0|1,0,0]=3 2238 B9R1.41 NC(=O)C1CCCC1N MCULE-7208597206 [1,1,0,0,0,0|1,0,0]=3 2239 B9R1.41 NC(=O)C1NCCC1O MCULE-1947851170 [1,1,0,0,0,0|2,0,0]=4 2240 B9R1.41 NC(=O)C1NCCC1O MCULE-8983481897 [1,1,0,0,0,0|2,0,0]=4 2241 B9R1.41 NC(=O)[C@@H]1CCC[C@@H]1N MCULE-1275176642 [1,1,0,0,0,0|1,0,0]=3 2242 B9R1.41 NC(=O)[C@@H]1CCC[C@@H]1N MCULE-2107283008 [1,1,0,0,0,0|1,0,0]=3 2243 B9R1.41 NC(=O)[C@@H]1CCC[C@@H]1N MCULE-2865532845 [1,1,0,0,0,0|1,0,0]=3 2244 B9R1.41 NC(=O)[C@@H]1CCC[C@@H]1N MCULE-3874121291 [1,1,0,0,0,0|1,0,0]=3 2245 B9R1.41 NC(=O)[C@@H]1CCC[C@@H]1O MCULE-7290076922 [1,1,0,0,0,0|1,0,0]=3 2246 B9R1.41 NC(=O)[C@H]1NCC[C@@H]1O MCULE-1119399523 [1,1,0,0,0,0|2,0,0]=4 2247 B9R1.41 NC(=O)[C@H]1NCC[C@@H]1O MCULE-4733398267 [1,1,0,0,0,0|2,0,0]=4 2248 B9R1.41 NC(=O)[C@H]1NCC[C@H]1O MCULE-8085547151 [1,1,0,0,0,0|2,0,0]=4 2249 B9R1.41 NC(=O)[C@H]1NCC[C@H]1O MCULE-8491779714 [1,1,0,0,0,0|2,0,0]=4 2250 B9R1.41 NC1=C(CCC1)C(=O)O MCULE-9287668193 [1,1,0,0,0,0|0,0,2]=4 2251 B9R1.41 NC1C=CCC1C(=O)O MCULE-8527386281 [1,1,0,0,0,0|0,0,2]=4 2252 B9R1.41 NC1C=CCC1C(=O)O MCULE-8529743719 [1,1,0,0,0,0|0,0,2]=4 2253 B9R1.41 NC1CCCC1C(=O)O MCULE-4916984038 [1,1,0,0,0,0|0,0,0]=2 2254 B9R1.41 NC1CCCC1C(=O)O MCULE-7220342321 [1,1,0,0,0,0|0,0,0]=2 2255 B9R1.41 NC1CCNC1C(=O)O MCULE-3789976956 [1,1,0,0,0,0|1,0,0]=3 2256 B9R1.41 NC1CCNC1C(=O)O MCULE-5356536056 [1,1,0,0,0,0|1,0,0]=3 2257 B9R1.41 NC1CNCC1C(=O)O MCULE-1244086282 [1,1,0,0,0,0|1,0,0]=3 2258 B9R1.41 NC1COCC1C(=O)O MCULE-7325840275 [1,1,0,0,0,0|1,0,0]=3 2259 B9R1.41 NC1COCC1C(=O)O MCULE-9068897815 [1,1,0,0,0,0|1,0,0]=3 2260 B9R1.41 NN1CCCC1C(=O)O MCULE-1374834183 [1,1,0,0,0,0|1,0,0]=3 2261 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O MCULE-3446631182 [1,1,0,0,0,0|0,0,0]=2 2262 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O MCULE-4537266002 [1,1,0,0,0,0|0,0,0]=2 2263 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O MCULE-9091292908 [1,1,0,0,0,0|0,0,0]=2 2264 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O MCULE-9780104108 [1,1,0,0,0,0|0,0,0]=2 2265 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O MCULE-1397305924 [1,1,0,0,0,0|0,0,0]=2 2266 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O MCULE-5447983159 [1,1,0,0,0,0|0,0,0]=2 2267 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O MCULE-6345808896 [1,1,0,0,0,0|0,0,0]=2 2268 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O MCULE-7658809060 [1,1,0,0,0,0|0,0,0]=2 2269 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O MCULE-1080605796 [1,1,0,0,0,0|1,0,0]=3 2270 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O MCULE-5666272526 [1,1,0,0,0,0|1,0,0]=3 2271 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O MCULE-5723263979 [1,1,0,0,0,0|1,0,0]=3 2272 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O MCULE-6574312344 [1,1,0,0,0,0|1,0,0]=3 2273 B9R1.41 N[C@@H]1COC[C@@H]1C(=O)O MCULE-9833243208 [1,1,0,0,0,0|1,0,0]=3 2274 B9R1.41 N[C@@H]1COC[C@H]1C(=O)O MCULE-7323429960 [1,1,0,0,0,0|1,0,0]=3 2275 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-5128495564 [1,1,0,0,0,0|0,0,0]=2 2276 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-7721875754 [1,1,0,0,0,0|0,0,0]=2 2277 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-8287396944 [1,1,0,0,0,0|0,0,0]=2 2278 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-9470915806 [1,1,0,0,0,0|0,0,0]=2 2279 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-9776724097 [1,1,0,0,0,0|0,0,0]=2 2280 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-9997148303 [1,1,0,0,0,0|0,0,0]=2 2281 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O MCULE-1768949677 [1,1,0,0,0,0|0,0,0]=2 2282 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O MCULE-2999200875 [1,1,0,0,0,0|0,0,0]=2 2283 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O MCULE-4735278058 [1,1,0,0,0,0|0,0,0]=2 2284 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O MCULE-7501259126 [1,1,0,0,0,0|0,0,0]=2 2285 B9R1.41 N[C@H]1COC[C@@H]1C(=O)O MCULE-4396526735 [1,1,0,0,0,0|1,0,0]=3 2286 B9R1.41 N[C@H]1COC[C@@H]1C(=O)O MCULE-9025415433 [1,1,0,0,0,0|1,0,0]=3 2287 B9R1.41 N[C@H]1COC[C@H]1C(=O)O MCULE-2956846972 [1,1,0,0,0,0|1,0,0]=3 2288 B9R1.41 N[C@H]1COC[C@H]1C(=O)O MCULE-3321988270 [1,1,0,0,0,0|1,0,0]=3 2289 B9R1.41 O=C(Cl)C1CCCC1=O MCULE-1186628152 [1,1,0,0,0,0|1,0,1]=4 2290 B9R1.41 O=C(O)C1=C(CCC1)Cl MCULE-4349801654 [1,1,0,0,0,0|0,0,2]=4 2291 B9R1.41 O=C(O)C1CCCC1=O MCULE-9500236289 [1,1,0,0,0,0|0,0,1]=3 2292 B9R1.41 O=C(O)C1CCCC1O MCULE-5519958446 [1,1,0,0,0,0|0,0,0]=2 2293 B9R1.41 O=C(O)C1CCNC1=O MCULE-3110303122 [1,1,0,0,0,0|1,0,1]=4 2294 B9R1.41 O=C(O)C1CCOC1=O MCULE-1545162383 [1,1,0,0,0,0|1,0,1]=4 2295 B9R1.41 O=C(O)C1CNCC1O MCULE-4948062518 [1,1,0,0,0,0|1,0,0]=3 2296 B9R1.41 O=C(O)C1CNCC1O MCULE-8113161890 [1,1,0,0,0,0|1,0,0]=3 2297 B9R1.41 O=C(O)C1COCC1F MCULE-8830875984 [1,1,0,0,0,0|1,0,0]=3 2298 B9R1.41 O=C(O)C1CSCC1=O MCULE-2401489071 [1,1,0,0,0,0|1,0,1]=4 2299 B9R1.41 O=C(O)C1NCCC1F MCULE-2108063646 [1,1,0,0,0,0|1,0,0]=3 2300 B9R1.41 O=C(O)C1NCCC1F MCULE-6901343291 [1,1,0,0,0,0|1,0,0]=3 2301 B9R1.41 O=C(O)C1NCCC1O MCULE-3415911467 [1,1,0,0,0,0|1,0,0]=3 2302 B9R1.41 O=C(O)C1NCCC1O MCULE-3678949962 [1,1,0,0,0,0|1,0,0]=3 2303 B9R1.41 O=C(O)C1NCCC1O MCULE-6594922763 [1,1,0,0,0,0|1,0,0]=3 2304 B9R1.41 O=C(O)[C@@H]1CCNC1=O MCULE-2092808645 [1,1,0,0,0,0|1,0,1]=4 2305 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1F MCULE-3174474393 [1,1,0,0,0,0|1,0,0]=3 2306 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1F MCULE-5151888407 [1,1,0,0,0,0|1,0,0]=3 2307 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-1216340314 [1,1,0,0,0,0|1,0,0]=3 2308 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-1564327038 [1,1,0,0,0,0|1,0,0]=3 2309 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-8208546333 [1,1,0,0,0,0|1,0,0]=3 2310 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-9489383113 [1,1,0,0,0,0|1,0,0]=3 2311 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-9999937302 [1,1,0,0,0,0|1,0,0]=3 2312 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1F MCULE-7001095632 [1,1,0,0,0,0|1,0,0]=3 2313 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1F MCULE-7931619369 [1,1,0,0,0,0|1,0,0]=3 2314 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O MCULE-1637514285 [1,1,0,0,0,0|1,0,0]=3 2315 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O MCULE-7041138309 [1,1,0,0,0,0|1,0,0]=3 2316 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O MCULE-9174140225 [1,1,0,0,0,0|1,0,0]=3 2317 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O MCULE-9867563873 [1,1,0,0,0,0|1,0,0]=3 2318 B9R1.41 O=C(O)[C@@H]1[NH2+]CC[C@@H]1O MCULE-4350473030 [1,1,0,0,0,0|1,0,0]=3 2319 B9R1.41 O=C(O)[C@H]1CCC[C@H]1O MCULE-7220456005 [1,1,0,0,0,0|0,0,0]=2 2320 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F MCULE-1175817797 [1,1,0,0,0,0|1,0,0]=3 2321 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F MCULE-5823079222 [1,1,0,0,0,0|1,0,0]=3 2322 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F MCULE-6437141041 [1,1,0,0,0,0|1,0,0]=3 2323 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F MCULE-8496599400 [1,1,0,0,0,0|1,0,0]=3 2324 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O MCULE-1891620706 [1,1,0,0,0,0|1,0,0]=3 2325 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O MCULE-2757873569 [1,1,0,0,0,0|1,0,0]=3 2326 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O MCULE-2760733859 [1,1,0,0,0,0|1,0,0]=3 2327 B9R1.41 O=C(O)[C@H]1NCC[C@H]1F MCULE-8117073613 [1,1,0,0,0,0|1,0,0]=3 2328 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-2253713572 [1,1,0,0,0,0|1,0,0]=3 2329 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-4523708371 [1,1,0,0,0,0|1,0,0]=3 2330 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-6240521801 [1,1,0,0,0,0|1,0,0]=3 2331 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-6709232399 [1,1,0,0,0,0|1,0,0]=3 2332 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-6746975985 [1,1,0,0,0,0|1,0,0]=3 2333 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-8268334758 [1,1,0,0,0,0|1,0,0]=3 2334 B9R1.41 [C@@H]1(CCN[C@H]1C(=O)O)O MCULE-2060265421 [1,1,0,0,0,0|1,0,0]=3 2335 B9R1.41 [C@@H]1(NCC[C@H]1O)C(=O)O MCULE-1208236317 [1,1,0,0,0,0|1,0,0]=3 2336 B9R1.41 [C@H]1(CCN[C@H]1C(=O)O)O MCULE-3906438921 [1,1,0,0,0,0|1,0,0]=3 2337 B9R1.134 C=CCC1(CCCC1)N MCULE-9439388732 [1,1,0,0,0,0|1,0,0]=3 2338 B9R1.134 COCC1(CCCC1)N MCULE-4902857537 [1,1,0,0,0,0|0,0,1]=3 2339 B9R1.134 COCC1(CCCC1)N MCULE-7196976973 [1,1,0,0,0,0|0,0,1]=3 2340 B9R1.134 COCC1(CCOC1)N MCULE-4642000021 [1,1,0,0,0,0|1,0,1]=4 2341 B9R1.134 COCC1(CCOC1)N MCULE-5928206934 [1,1,0,0,0,0|1,0,1]=4 2342 B9R1.134 N#CCC1(CCCC1)N MCULE-4524120267 [1,1,0,0,0,0|1,0,1]=4 2343 B9R1.134 N#CCC1(CCCC1)N MCULE-5267593854 [1,1,0,0,0,0|1,0,1]=4 2344 B9R1.134 NC1(CCCC1)CCO MCULE-4642086605 [1,1,0,0,0,0|0,0,1]=3 2345 B9R1.134 NC1(CCOC1)CCO MCULE-4522691616 [1,1,0,0,0,0|1,0,1]=4 2346 B9R1.134 OCCC1(CCCC1)O MCULE-4832877397 [1,1,0,0,0,0|1,0,1]=4 2347 B9R1.202 CC1CCCC1(N)C#N MCULE-6780428529 [1,1,0,0,0,0|1,0,1]=4 2348 B9R1.204 CCC1(CCCC1)CN MCULE-6844969961 [1,1,0,0,0,0|1,0,1]=4 2349 B9R1.204 CNC1(CCCC1)C#N MCULE-2780070669 [1,1,0,0,0,0|1,0,1]=4 2350 B9R1.204 CNC1(CCCC1)CO MCULE-1687582141 [1,1,0,0,0,0|0,0,1]=3 2351 B9R1.204 CNC1(CCOC1)CO MCULE-1597439940 [1,1,0,0,0,0|1,0,1]=4 2352 B9R1.204 CNC1(CCSC1)CO MCULE-8777175880 [1,1,0,0,0,0|1,0,1]=4 2353 B9R1.204 COC1(CCCC1)C=O MCULE-4867100992 [1,1,0,0,0,0|1,0,0]=3 2354 B9R1.204 COC1(CCCC1)CN MCULE-4479422270 [1,1,0,0,0,0|2,0,0]=4 2355 B9R1.204 COC1(CCCC1)CO MCULE-4347741831 [1,1,0,0,0,0|1,0,1]=4 2356 B9R1.204 COC1(CCOC1)C=O MCULE-9770538393 [1,1,0,0,0,0|2,0,0]=4 2357 B9R1.204 N#CC1(CCCC1)C=O MCULE-9713236880 [1,1,0,0,0,0|0,0,1]=3 2358 B9R1.204 N#CC1(CCCC1)CN MCULE-6000167794 [1,1,0,0,0,0|1,0,1]=4 2359 B9R1.204 N#CC1(CCCC1)CN MCULE-8405117603 [1,1,0,0,0,0|1,0,1]=4 2360 B9R1.204 N#CC1(CCCC1)CO MCULE-8187436672 [1,1,0,0,0,0|0,0,2]=4 2361 B9R1.204 NCC1(CCCC1)CN MCULE-6782705408 [1,1,0,0,0,0|1,0,1]=4 2362 B9R1.204 NCC1(CCCC1)CO MCULE-5764013495 [1,1,0,0,0,0|0,0,1]=3 2363 B9R1.204 NCC1(CCCC1)CO MCULE-8669848799 [1,1,0,0,0,0|0,0,1]=3 2364 B9R1.204 NCC1(CCOC1)CO MCULE-2011513032 [1,1,0,0,0,0|1,0,1]=4 2365 B9R1.204 OCC1(CCCC1)CO MCULE-6896331863 [1,1,0,0,0,0|1,0,1]=4 2366 B9R1.119 C#CC1(CCC1)C(=O)O MCULE-2021077070 [0,1,0,0,1,0|1,0,0]=3 2367 B9R1.119 CC(=O)C1(CCC1)C#N MCULE-9307675365 [0,1,0,0,1,0|1,0,1]=4 2368 B9R1.119 CCC1(CCC1)C(=O)O MCULE-8472500117 [0,1,0,0,1,0|1,0,0]=3 2369 B9R1.119 CCC1(CCO1)C(=O)O MCULE-9145728118 [0,1,0,0,1,0|2,0,0]=4 2370 B9R1.119 CCC1(CNC1)C(=O)O MCULE-8053068489 [0,1,0,0,1,0|2,0,0]=4 2371 B9R1.119 CCC1(COC1)C(=O)O MCULE-3962066812 [0,1,0,0,1,0|2,0,0]=4 2372 B9R1.119 CC[C@]1(CCO1)C(=O)O MCULE-5752888055 [0,1,0,0,1,0|2,0,0]=4 2373 B9R1.119 CNC1(CCC1)C(=O)N MCULE-9618501617 [0,1,0,0,1,0|1,0,0]=3 2374 B9R1.119 CNC1(CCC1)C(=O)O MCULE-3757495053 [0,1,0,0,1,0|0,0,0]=2 2375 B9R1.119 CNC1(CCC1)C(=O)O MCULE-4024637716 [0,1,0,0,1,0|0,0,0]=2 2376 B9R1.119 CNC1(CNC1)C(=O)N MCULE-8113222638 [0,1,0,0,1,0|2,0,0]=4 2377 B9R1.119 CNC1(CNC1)C(=O)N MCULE-9287185171 [0,1,0,0,1,0|2,0,0]=4 2378 B9R1.119 CNC1(CNC1)C(=O)O MCULE-2429867360 [0,1,0,0,1,0|1,0,0]=3 2379 B9R1.119 CNC1(CNC1)C(=O)O MCULE-6668272665 [0,1,0,0,1,0|1,0,0]=3 2380 B9R1.119 CNC1(COC1)C(=O)O MCULE-5428851378 [0,1,0,0,1,0|1,0,0]=3 2381 B9R1.119 COC1(CCC1)C(=O)C MCULE-7851460728 [0,1,0,0,1,0|2,0,0]=4 2382 B9R1.119 COC1(CCC1)C(=O)Cl MCULE-2970127433 [0,1,0,0,1,0|2,0,0]=4 2383 B9R1.119 COC1(CCC1)C(=O)O MCULE-5969292821 [0,1,0,0,1,0|1,0,0]=3 2384 B9R1.119 COC1(CNC1)C(=O)O MCULE-2037277700 [0,1,0,0,1,0|2,0,0]=4 2385 B9R1.119 COC1(CNC1)C(=O)O MCULE-8524872732 [0,1,0,0,1,0|2,0,0]=4 2386 B9R1.119 CS(=O)C1(CCC1)CN MCULE-1873403604 [0,1,0,0,1,0|2,0,0]=4 2387 B9R1.119 CSC1(CCC1)C(=O)O MCULE-8804902018 [0,1,0,0,1,0|1,0,0]=3 2388 B9R1.119 N#CC1(CCC1)C(=O)O MCULE-3878444605 [0,1,0,0,1,0|0,0,1]=3 2389 B9R1.119 N#CC1(COC1)C(=O)O MCULE-2152442122 [0,1,0,0,1,0|1,0,1]=4 2390 B9R1.119 NC(=O)C1(CCC1)CO MCULE-9946184317 [0,1,0,0,1,0|2,0,0]=4 2391 B9R1.119 NCC1(CCC1)C(=O)N MCULE-9304292524 [0,1,0,0,1,0|1,0,0]=3 2392 B9R1.119 NCC1(CCC1)C(=O)O MCULE-3914754838 [0,1,0,0,1,0|0,0,0]=2 2393 B9R1.119 NCC1(CCC1)C(=O)O MCULE-4280814319 [0,1,0,0,1,0|0,0,0]=2 2394 B9R1.119 O=C(O)C1(CCC1)CBr MCULE-5543146509 [0,1,0,0,1,0|1,0,0]=3 2395 B9R1.119 O=C(O)C1(CCC1)CF MCULE-5485073729 [0,1,0,0,1,0|1,0,0]=3 2396 B9R1.119 O=C(O)C1(CCC1)CO MCULE-3232370055 [0,1,0,0,1,0|1,0,0]=3 2397 B9R1.119 O=C(O)C1(CNC1)CF MCULE-5137140836 [0,1,0,0,1,0|2,0,0]=4 2398 B9R1.119 O=C(O)C1(CNC1)CF MCULE-7308600698 [0,1,0,0,1,0|2,0,0]=4 2399 B9R1.119 O=C(O)C1(COC1)CBr MCULE-4458668966 [0,1,0,0,1,0|2,0,0]=4 2400 B9R1.119 O=C(O)C1(COC1)CF MCULE-2717237905 [0,1,0,0,1,0|2,0,0]=4 2401 B9R1.119 O=C(O)C1(COC1)CO MCULE-8517233263 [0,1,0,0,1,0|2,0,0]=4 2402 B9R1.152 C=C1CC(C1)(C)C(=O)O MCULE-7205894158 [0,1,0,0,1,0|1,0,1]=4 2403 B9R1.152 C=C1CC(C1)(O)C(=O)O MCULE-9531189314 [0,1,0,0,1,0|1,0,1]=4 2404 B9R1.152 CC1(CC(=O)C1)C(=O)O MCULE-5766836727 [0,1,0,0,1,0|1,0,1]=4 2405 B9R1.152 CC1(CC(C1)N)C(=O)O MCULE-2576475336 [0,1,0,0,1,0|1,0,0]=3 2406 B9R1.152 CC1(CC(C1)N)C(=O)O MCULE-6535558159 [0,1,0,0,1,0|1,0,0]=3 2407 B9R1.152 CC1CC(C1)(C)C(=O)O MCULE-6119301322 [0,1,0,0,1,0|1,0,0]=3 2408 B9R1.152 CN1CC(C1)(C)C(=O)O MCULE-4633405499 [0,1,0,0,1,0|2,0,0]=4 2409 B9R1.152 C[C@@]1(C[C@@H](C1)N)C(=O)O MCULE-4599601598 [0,1,0,0,1,0|1,0,0]=3 2410 B9R1.152 C[C@@]1(C[C@@H](C1)N)C(=O)O MCULE-4763611062 [0,1,0,0,1,0|1,0,0]=3 2411 B9R1.152 C[C@@]1(C[C@H](C1)N)C(=O)O MCULE-2054460365 [0,1,0,0,1,0|1,0,0]=3 2412 B9R1.152 C[C@@]1(C[C@H](C1)N)C(=O)O MCULE-8615255294 [0,1,0,0,1,0|1,0,0]=3 2413 B9R1.152 C[C@H]1C[C@@](C1)(N)C(=O)O MCULE-7807418833 [0,1,0,0,1,0|0,0,0]=2 2414 B9R1.152 C[C@H]1C[C@](C1)(N)C(=O)O MCULE-2634950955 [0,1,0,0,1,0|0,0,0]=2 2415 B9R1.152 NC1(CC(C1)F)C(=O)O MCULE-5206815009 [0,1,0,0,1,0|0,0,0]=2 2416 B9R1.152 NC1(CC(C1)F)C(=O)O MCULE-9944960595 [0,1,0,0,1,0|0,0,0]=2 2417 B9R1.152 NC1(CC(C1)O)C(=O)O MCULE-8304595021 [0,1,0,0,1,0|0,0,0]=2 2418 B9R1.152 NC1(CC(C1)O)C(=O)O MCULE-8353432396 [0,1,0,0,1,0|0,0,0]=2 2419 B9R1.152 NC1CC(C1)(F)C(=O)O MCULE-8174066741 [0,1,0,0,1,0|1,0,0]=3 2420 B9R1.152 N[C@@]1(C[C@@H](C1)F)C(=O)O MCULE-3535102578 [0,1,0,0,1,0|0,0,0]=2 2421 B9R1.152 N[C@@]1(C[C@@H](C1)O)C(=O)O MCULE-3919423791 [0,1,0,0,1,0|0,0,0]=2 2422 B9R1.152 N[C@@]1(C[C@H](C1)F)C(=O)O MCULE-4417403698 [0,1,0,0,1,0|0,0,0]=2 2423 B9R1.152 O=C(O)C1(CC(C1)O)O MCULE-4321795643 [0,1,0,0,1,0|1,0,0]=3 2424 B9R1.152 O=C(O)[C@@]1(C[C@@H](C1)O)F MCULE-1599041261 [0,1,0,0,1,0|1,0,0]=3 2425 B9R1.152 O=C(O)[C@@]1(C[C@@H](C1)O)O MCULE-3005775021 [0,1,0,0,1,0|1,0,0]=3 2426 B9R1.152 O=C(O)[C@@]1(C[C@H](C1)O)F MCULE-8929901678 [0,1,0,0,1,0|1,0,0]=3 2427 B9R1.152 O=C(O)[C@@]1(C[C@H](C1)O)O MCULE-2152193030 [0,1,0,0,1,0|1,0,0]=3 2428 B9R1.186 CNC(=O)C1(COC1)N MCULE-2205559430 [0,1,0,0,1,0|2,0,0]=4 2429 B9R1.186 COC(=O)C1(CCC1)Br MCULE-8163588898 [0,1,0,0,1,0|1,0,0]=3 2430 B9R1.186 COC(=O)C1(CCC1)C MCULE-4295306660 [0,1,0,0,1,0|1,0,0]=3 2431 B9R1.186 COC(=O)C1(CCC1)N MCULE-4561399895 [0,1,0,0,1,0|0,0,0]=2 2432 B9R1.186 COC(=O)C1(CCC1)N MCULE-6643904748 [0,1,0,0,1,0|0,0,0]=2 2433 B9R1.186 COC(=O)C1(CCC1)O MCULE-9685086952 [0,1,0,0,1,0|1,0,0]=3 2434 B9R1.186 COC(=O)C1(CCN1)C MCULE-7183976970 [0,1,0,0,1,0|2,0,0]=4 2435 B9R1.186 COC(=O)C1(CCN1)C MCULE-7540921007 [0,1,0,0,1,0|2,0,0]=4 2436 B9R1.186 COC(=O)C1(CNC1)C MCULE-1276155967 [0,1,0,0,1,0|2,0,0]=4 2437 B9R1.186 COC(=O)C1(CNC1)C MCULE-9741948554 [0,1,0,0,1,0|2,0,0]=4 2438 B9R1.186 COC(=O)C1(CNC1)F MCULE-4349625868 [0,1,0,0,1,0|2,0,0]=4 2439 B9R1.186 COC(=O)C1(CNC1)F MCULE-6589739194 [0,1,0,0,1,0|2,0,0]=4 2440 B9R1.186 COC(=O)C1(CNC1)O MCULE-4998959697 [0,1,0,0,1,0|2,0,0]=4 2441 B9R1.186 COC(=O)C1(CNC1)O MCULE-7985614560 [0,1,0,0,1,0|2,0,0]=4 2442 B9R1.186 COC(=O)C1(COC1)C MCULE-3679844068 [0,1,0,0,1,0|2,0,0]=4 2443 B9R1.186 COC(=O)C1(COC1)N MCULE-4240909479 [0,1,0,0,1,0|1,0,0]=3 2444 B9R1.186 COC(=O)[C@@]1(CCN1)C MCULE-6518097292 [0,1,0,0,1,0|2,0,0]=4 2445 B9R1.186 COC(=O)[C@@]1(CCN1)C MCULE-7597317458 [0,1,0,0,1,0|2,0,0]=4 2446 B11R1.220 CC(=O)C1(CCC(CC1)C)C MCULE-1641456468 [0,1,0,0,0,1|2,0,0]=4 2447 B11R1.220 CC1(CCC(=O)CC1)C(=O)O MCULE-1572569153 [0,1,0,0,0,1|1,0,0]=3 2448 B11R1.220 CC1(CCC(=O)NC1)C(=O)O MCULE-2805915574 [0,1,0,0,0,1|1,0,1]=4 2449 B11R1.220 CC1(CCC(CC1)N)C(=O)N MCULE-9249091360 [0,1,0,0,0,1|2,0,0]=4 2450 B11R1.220 CC1(CCC(CC1)O)C(=O)O MCULE-4694168525 [0,1,0,0,0,1|1,0,0]=3 2451 B11R1.220 CC1=CCC(CC1)(C)C(=O)O MCULE-9625022025 [0,1,0,0,0,1|1,0,1]=4 2452 B11R1.220 CC1CCC(CC1)(C)C(=O)N MCULE-8954217069 [0,1,0,0,0,1|2,0,0]=4 2453 B11R1.220 CC1CCC(CC1)(C)C(=O)O MCULE-7822016719 [0,1,0,0,0,1|1,0,0]=3 2454 B11R1.220 CC1CCC(CC1)(F)C(=O)O MCULE-8829791353 [0,1,0,0,0,1|1,0,0]=3 2455 B11R1.220 CC1CCC(CC1)(N)C(=O)N MCULE-1630564728 [0,1,0,0,0,1|1,0,0]=3 2456 B11R1.220 CC1CCC(CC1)(N)C(=O)O MCULE-7735898604 [0,1,0,0,0,1|0,0,0]=2 2457 B11R1.220 CC1CCC(CC1)(O)C(=O)O MCULE-2392362320 [0,1,0,0,0,1|1,0,0]=3 2458 B11R1.220 CN1CCC(CC1)(C)C(=O)O MCULE-3834694510 [0,1,0,0,0,1|1,0,0]=3 2459 B11R1.220 CN1CCC(CC1)(C)C(=O)O MCULE-6310965473 [0,1,0,0,0,1|1,0,0]=3 2460 B11R1.220 CN1CCC(CC1)(F)C(=O)O MCULE-5733063609 [0,1,0,0,0,1|1,0,0]=3 2461 B11R1.220 CN1CCC(CC1)(F)C(=O)O MCULE-8739311714 [0,1,0,0,0,1|1,0,0]=3 2462 B11R1.220 CN1CCC(CC1)(N)C(=O)O MCULE-7077088205 [0,1,0,0,0,1|0,0,0]=2 2463 B11R1.220 CN1CCC(CC1)(N)C(=O)O MCULE-9740380672 [0,1,0,0,0,1|0,0,0]=2 2464 B11R1.220 CN1CCC(CC1)(O)C(=O)O MCULE-3745539292 [0,1,0,0,0,1|1,0,0]=3 2465 B11R1.220 CN1CCC(CC1)(O)C(=O)O MCULE-9976204914 [0,1,0,0,0,1|1,0,0]=3 2466 B11R1.220 C[C@@]1(CC[C@@H](CC1)N)C(=O)N MCULE-1121011171 [0,1,0,0,0,1|2,0,0]=4 2467 B11R1.220 C[C@@]1(CC[C@@H](CC1)O)C(=O)O MCULE-5793928535 [0,1,0,0,0,1|1,0,0]=3 2468 B11R1.220 NC(=O)C1(CCC(CC1)N)O MCULE-5207754653 [0,1,0,0,0,1|2,0,0]=4 2469 B11R1.220 NC1(CCC(=O)CC1)C(=O)O MCULE-6857901798 [0,1,0,0,0,1|0,0,0]=2 2470 B11R1.220 NC1CCC(CC1)(O)C(=O)O MCULE-8309786604 [0,1,0,0,0,1|1,0,0]=3 2471 B11R1.520 CC1(CCCNC1=O)C(=O)O MCULE-2127943120 [0,1,0,0,0,1|1,0,1]=4 2472 B11R1.520 CC1CCCCC1(N)C(=O)O MCULE-7674467260 [0,1,0,0,0,1|0,0,0]=2 2473 B11R1.520 CC1CCCCC1(O)C(=O)O MCULE-4831471383 [0,1,0,0,0,1|1,0,0]=3 2474 B11R1.520 CN1CCCCC1(C)C(=O)O MCULE-8543610232 [0,1,0,0,0,1|1,0,0]=3 2475 B11R1.520 O=C(O)C1(CCCC=C1F)F MCULE-5027309828 [0,1,0,0,0,1|1,0,1]=4 2476 B11R1.667 CC1(CC(CCO1)N)C(=O)O MCULE-4479358294 [0,1,0,0,0,1|1,0,0]=3 2477 B11R1.667 CC1(CC(CCO1)N)C(=O)O MCULE-7328807092 [0,1,0,0,0,1|1,0,0]=3 2478 B11R1.667 CC1(CCNC(=O)C1)C(=O)O MCULE-9095450827 [0,1,0,0,0,1|1,0,1]=4 2479 B11R1.667 CC1CC(CCO1)(C)C(=O)O MCULE-8913886133 [0,1,0,0,0,1|1,0,0]=3 2480 B11R1.667 CC1CC(CCO1)(N)C(=O)O MCULE-2481658934 [0,1,0,0,0,1|0,0,0]=2 2481 B11R1.667 CC1CC(CCO1)(N)C(=O)O MCULE-5146905630 [0,1,0,0,0,1|0,0,0]=2 2482 B11R1.667 CC1CCCC(C1)(N)C(=O)N MCULE-1803408408 [0,1,0,0,0,1|1,0,0]=3 2483 B11R1.667 CC1CCCC(C1)(N)C(=O)O MCULE-7952794030 [0,1,0,0,0,1|0,0,0]=2 2484 B11R1.667 CN1CCCC(C1)(C)C(=O)O MCULE-6176737385 [0,1,0,0,0,1|1,0,0]=3 2485 B11R1.878 CC(=NO)C1(CCCCC1)O MCULE-2919413764 [0,1,0,0,0,1|2,0,0]=4 2486 B11R1.878 CC1(CCCCO1)C(=O)NN MCULE-1107519638 [0,1,0,0,0,1|2,0,0]=4 2487 B11R1.878 CNC(=O)C1(CCCCC1)N MCULE-1205176044 [0,1,0,0,0,1|1,0,0]=3 2488 B11R1.878 CNC(=O)C1(CCCCC1)N MCULE-5586151094 [0,1,0,0,0,1|1,0,0]=3 2489 B11R1.878 CNC(=O)C1(CCCNC1)C MCULE-4099432918 [0,1,0,0,0,1|2,0,0]=4 2490 B11R1.878 CNC(=O)C1(CCCNC1)C MCULE-4411241332 [0,1,0,0,0,1|2,0,0]=4 2491 B11R1.878 CNC(=O)C1(CCNCC1)C MCULE-4324370476 [0,1,0,0,0,1|2,0,0]=4 2492 B11R1.878 CNC(=O)C1(CCNCC1)C MCULE-5512794621 [0,1,0,0,0,1|2,0,0]=4 2493 B11R1.878 CNC(=O)C1(CCOCC1)N MCULE-3364428519 [0,1,0,0,0,1|1,0,0]=3 2494 B11R1.878 CNC(=O)C1(CCOCC1)N MCULE-8082351052 [0,1,0,0,0,1|1,0,0]=3 2495 B11R1.878 COC(=O)C1(CCCCC1)Br MCULE-1324398852 [0,1,0,0,0,1|1,0,0]=3 2496 B11R1.878 COC(=O)C1(CCCCC1)C MCULE-1116173481 [0,1,0,0,0,1|1,0,0]=3 2497 B11R1.878 COC(=O)C1(CCCCC1)N MCULE-2077713130 [0,1,0,0,0,1|0,0,0]=2 2498 B11R1.878 COC(=O)C1(CCCCC1)N MCULE-5529190912 [0,1,0,0,0,1|0,0,0]=2 2499 B11R1.878 COC(=O)C1(CCCCC1)O MCULE-7312981015 [0,1,0,0,0,1|1,0,0]=3 2500 B11R1.878 COC(=O)C1(CCCCN1)C MCULE-1190264508 [0,1,0,0,0,1|1,0,0]=3 2501 B11R1.878 COC(=O)C1(CCCCN1)C MCULE-3258376100 [0,1,0,0,0,1|1,0,0]=3 2502 B11R1.878 COC(=O)C1(CCCCO1)C MCULE-4831752163 [0,1,0,0,0,1|1,0,0]=3 2503 B11R1.878 COC(=O)C1(CCCNC1)C MCULE-2912960772 [0,1,0,0,0,1|1,0,0]=3 2504 B11R1.878 COC(=O)C1(CCCNC1)C MCULE-6748274783 [0,1,0,0,0,1|1,0,0]=3 2505 B11R1.878 COC(=O)C1(CCCNC1)O MCULE-4695147180 [0,1,0,0,0,1|1,0,0]=3 2506 B11R1.878 COC(=O)C1(CCCNC1)O MCULE-7996251761 [0,1,0,0,0,1|1,0,0]=3 2507 B11R1.878 COC(=O)C1(CCCOC1)C MCULE-6519149185 [0,1,0,0,0,1|1,0,0]=3 2508 B11R1.878 COC(=O)C1(CCNCC1)C MCULE-1287601384 [0,1,0,0,0,1|1,0,0]=3 2509 B11R1.878 COC(=O)C1(CCNCC1)C MCULE-5120199516 [0,1,0,0,0,1|1,0,0]=3 2510 B11R1.878 COC(=O)C1(CCNCC1)F MCULE-2369065610 [0,1,0,0,0,1|1,0,0]=3 2511 B11R1.878 COC(=O)C1(CCNCC1)F MCULE-3197182658 [0,1,0,0,0,1|1,0,0]=3 2512 B11R1.878 COC(=O)C1(CCNCC1)N MCULE-7457516879 [0,1,0,0,0,1|0,0,0]=2 2513 B11R1.878 COC(=O)C1(CCNCC1)N MCULE-8838613115 [0,1,0,0,0,1|0,0,0]=2 2514 B11R1.878 COC(=O)C1(CCNCC1)O MCULE-3066342819 [0,1,0,0,0,1|1,0,0]=3 2515 B11R1.878 COC(=O)C1(CCNCC1)O MCULE-9440891544 [0,1,0,0,0,1|1,0,0]=3 2516 B11R1.878 COC(=O)C1(CCOCC1)Br MCULE-7180907923 [0,1,0,0,0,1|1,0,0]=3 2517 B11R1.878 COC(=O)C1(CCOCC1)C MCULE-2899247948 [0,1,0,0,0,1|1,0,0]=3 2518 B11R1.878 COC(=O)C1(CCOCC1)F MCULE-7433586839 [0,1,0,0,0,1|1,0,0]=3 2519 B11R1.878 COC(=O)C1(CCOCC1)N MCULE-2933369256 [0,1,0,0,0,1|0,0,0]=2 2520 B11R1.878 COC(=O)C1(CCOCC1)N MCULE-5766956671 [0,1,0,0,0,1|0,0,0]=2 2521 B11R1.878 COC(=O)C1(CCOCC1)N MCULE-6987517348 [0,1,0,0,0,1|0,0,0]=2 2522 B11R1.878 COC(=O)C1(CCOCC1)O MCULE-2689620350 [0,1,0,0,0,1|1,0,0]=3 2523 B11R1.878 COC(=O)C1(CCSCC1)N MCULE-3245318067 [0,1,0,0,0,1|0,0,0]=2 2524 B11R1.878 COC(=O)C1(CCSCC1)N MCULE-5736843966 [0,1,0,0,0,1|0,0,0]=2 2525 B11R1.878 COC(=O)C1(CCSCC1)O MCULE-9114884346 [0,1,0,0,0,1|1,0,0]=3 2526 B11R1.878 COC(=O)C1(CNCCO1)C MCULE-2710510669 [0,1,0,0,0,1|2,0,0]=4 2527 B11R1.878 COC(=O)C1(CNCCO1)C MCULE-6281859428 [0,1,0,0,0,1|2,0,0]=4 2528 B11R1.878 COC(=O)C1(COCCN1)C MCULE-6477520944 [0,1,0,0,0,1|2,0,0]=4 2529 B11R1.878 COC(=O)C1(COCCN1)C MCULE-7448041002 [0,1,0,0,0,1|2,0,0]=4 2530 B11R1.878 COC(=O)[C@@]1(CCCCN1)C MCULE-9054004047 [0,1,0,0,0,1|1,0,0]=3 2531 B11R1.878 COC(=O)[C@@]1(COCCN1)C MCULE-1062911013 [0,1,0,0,0,1|2,0,0]=4 2532 B11R1.878 COC(=O)[C@@]1(COCCN1)C MCULE-9828449382 [0,1,0,0,0,1|2,0,0]=4 2533 B11R1.878 COC(=O)[C@]1(COCCN1)C MCULE-1448662011 [0,1,0,0,0,1|2,0,0]=4 2534 B11R1.878 COC(=O)[C@]1(COCCN1)C MCULE-3553596882 [0,1,0,0,0,1|2,0,0]=4 2535 B11R1.878 COC(=O)[C@]1(COCCN1)C MCULE-8150000624 [0,1,0,0,0,1|2,0,0]=4 2536 B11R1.878 COC(=O)[C@]1(COCCN1)C MCULE-9063986834 [0,1,0,0,0,1|2,0,0]=4 2537 B11R1.878 N/C(=N/O)/C1(CCCCC1)O MCULE-7526944829 [0,1,0,0,0,1|2,0,0]=4 2538 B11R1.878 O=C(CO)C1(CCCCC1)O MCULE-4883134314 [0,1,0,0,0,1|1,0,0]=3 2539 B11R1.1074 CCC1(CCCCC1)C(=O)O MCULE-1239882099 [0,1,0,0,0,1|1,0,0]=3 2540 B11R1.1074 CCC1(CCCCN1)C(=O)O MCULE-3363810836 [0,1,0,0,0,1|1,0,0]=3 2541 B11R1.1074 CCC1(CCCCN1)C(=O)O MCULE-3511835420 [0,1,0,0,0,1|1,0,0]=3 2542 B11R1.1074 CCC1(CCCNC1)C(=O)N MCULE-1504498322 [0,1,0,0,0,1|2,0,0]=4 2543 B11R1.1074 CCC1(CCCNC1)C(=O)N MCULE-3364775133 [0,1,0,0,0,1|2,0,0]=4 2544 B11R1.1074 CCC1(CCCNC1)C(=O)O MCULE-4082709895 [0,1,0,0,0,1|1,0,0]=3 2545 B11R1.1074 CCC1(CCCNC1)C(=O)O MCULE-4330535403 [0,1,0,0,0,1|1,0,0]=3 2546 B11R1.1074 CCC1(CCNCC1)C(=O)N MCULE-3957031995 [0,1,0,0,0,1|2,0,0]=4 2547 B11R1.1074 CCC1(CCNCC1)C(=O)N MCULE-7799942946 [0,1,0,0,0,1|2,0,0]=4 2548 B11R1.1074 CCC1(CCNCC1)C(=O)O MCULE-1398986416 [0,1,0,0,0,1|1,0,0]=3 2549 B11R1.1074 CCC1(CCNCC1)C(=O)O MCULE-8638291608 [0,1,0,0,0,1|1,0,0]=3 2550 B11R1.1074 CCC1(CCOCC1)C(=O)O MCULE-8667730132 [0,1,0,0,0,1|1,0,0]=3 2551 B11R1.1074 CCC1(COCCN1)C(=O)O MCULE-7441313827 [0,1,0,0,0,1|2,0,0]=4 2552 B11R1.1074 CCC1(COCOC1)C(=O)O MCULE-8515251768 [0,1,0,0,0,1|2,0,0]=4 2553 B11R1.1074 CCC1(SCCCS1)C(=O)O MCULE-3611309990 [0,1,0,0,0,1|2,0,0]=4 2554 B11R1.1074 CNC1(CCCCC1)C(=O)O MCULE-7399184595 [0,1,0,0,0,1|0,0,0]=2 2555 B11R1.1074 CNC1(CCOCC1)C(=O)N MCULE-4218348330 [0,1,0,0,0,1|1,0,0]=3 2556 B11R1.1074 CNC1(CCOCC1)C(=O)O MCULE-3359408926 [0,1,0,0,0,1|0,0,0]=2 2557 B11R1.1074 CNC1(CCOCC1)C(=O)O MCULE-4436067730 [0,1,0,0,0,1|0,0,0]=2 2558 B11R1.1074 CNC1(CCSCC1)C(=O)N MCULE-5035728799 [0,1,0,0,0,1|1,0,0]=3 2559 B11R1.1074 CNC1(CCSCC1)C(=O)O MCULE-5303303431 [0,1,0,0,0,1|0,0,0]=2 2560 B11R1.1074 COC1(CCCCC1)C(=O)C MCULE-4191142379 [0,1,0,0,0,1|2,0,0]=4 2561 B11R1.1074 COC1(CCCCC1)C(=O)O MCULE-1591494554 [0,1,0,0,0,1|1,0,0]=3 2562 B11R1.1074 COC1(CCCNC1)C(=O)O MCULE-7763705716 [0,1,0,0,0,1|1,0,0]=3 2563 B11R1.1074 COC1(CCCNC1)C(=O)O MCULE-9595367468 [0,1,0,0,0,1|1,0,0]=3 2564 B11R1.1074 COC1(CCNCC1)C(=O)N MCULE-2708625340 [0,1,0,0,0,1|2,0,0]=4 2565 B11R1.1074 COC1(CCNCC1)C(=O)N MCULE-3801272999 [0,1,0,0,0,1|2,0,0]=4 2566 B11R1.1074 COC1(CCNCC1)C(=O)O MCULE-1300106015 [0,1,0,0,0,1|1,0,0]=3 2567 B11R1.1074 COC1(CCNCC1)C(=O)O MCULE-7196776076 [0,1,0,0,0,1|1,0,0]=3 2568 B11R1.1074 COC1(CCOCC1)C(=O)C MCULE-5105886912 [0,1,0,0,0,1|2,0,0]=4 2569 B11R1.1074 COC1(CCOCC1)C(=O)O MCULE-1535370902 [0,1,0,0,0,1|1,0,0]=3 2570 B11R1.1074 N#CC1(CCCCC1)C(=O)O MCULE-2346110250 [0,1,0,0,0,1|0,0,1]=3 2571 B11R1.1074 N#CC1(CCCOC1)C(=O)O MCULE-2226541127 [0,1,0,0,0,1|0,0,1]=3 2572 B11R1.1074 N#CC1(CCNCC1)C(=O)O MCULE-7981587223 [0,1,0,0,0,1|0,0,1]=3 2573 B11R1.1074 N#CC1(CCNCC1)C(=O)O MCULE-8603071721 [0,1,0,0,0,1|0,0,1]=3 2574 B11R1.1074 N#CC1(CCOCC1)C(=O)O MCULE-1172521926 [0,1,0,0,0,1|0,0,1]=3 2575 B11R1.1074 N#CC1(CCSCC1)C(=O)O MCULE-3118110353 [0,1,0,0,0,1|0,0,1]=3 2576 B11R1.1074 NCC1(CCCCC1)C(=O)O MCULE-6540997661 [0,1,0,0,0,1|0,0,0]=2 2577 B11R1.1074 NCC1(CCCCC1)C(=O)O MCULE-8691521129 [0,1,0,0,0,1|0,0,0]=2 2578 B11R1.1074 NCC1(CCCOC1)C(=O)O MCULE-1802610214 [0,1,0,0,0,1|0,0,0]=2 2579 B11R1.1074 NCC1(CCCOC1)C(=O)O MCULE-5207801423 [0,1,0,0,0,1|0,0,0]=2 2580 B11R1.1074 NCC1(CCOCC1)C(=O)N MCULE-7556510912 [0,1,0,0,0,1|1,0,0]=3 2581 B11R1.1074 NCC1(CCOCC1)C(=O)O MCULE-3943984495 [0,1,0,0,0,1|0,0,0]=2 2582 B11R1.1074 NCC1(CCOCC1)C(=O)O MCULE-4788693444 [0,1,0,0,0,1|0,0,0]=2 2583 B11R1.1074 O=C(O)C1(CCCCC1)CO MCULE-2836039300 [0,1,0,0,0,1|1,0,0]=3 2584 B11R1.1074 O=C(O)C1(CCOCC1)CF MCULE-8551611962 [0,1,0,0,0,1|1,0,0]=3 2585 B11R1.1074 O=C(O)C1(CCOCC1)CO MCULE-6309166747 [0,1,0,0,0,1|1,0,0]=3 2586 B11R1.895 C=CC(=O)OC1(CCCC1)C MCULE-2256963637 [0,1,0,0,0,1|2,0,0]=4 2587 B11R1.895 COC(=O)CC1(CCCC1)C MCULE-8574993078 [0,1,0,0,0,1|1,0,0]=3 2588 B11R1.895 COC(=O)CC1(CCCC1)N MCULE-7483456080 [0,1,0,0,0,1|0,0,0]=2 2589 B11R1.895 COC(=O)CC1(CCCC1)N MCULE-9875125262 [0,1,0,0,0,1|0,0,0]=2 2590 B11R1.895 COC(=O)CC1(CCCC1)O MCULE-5102238405 [0,1,0,0,0,1|1,0,0]=3 2591 B11R1.895 COC(=O)CC1(CCOC1)N MCULE-5625684436 [0,1,0,0,0,1|1,0,0]=3 2592 B11R1.1062 C#CC1(CCCC1)NC(=O)C MCULE-8162662828 [0,1,0,0,0,1|2,0,0]=4 2593 B11R1.1062 CC(=O)NC1(CCCC1)C#N MCULE-6781084489 [0,1,0,0,0,1|1,0,1]=4 2594 B11R1.1062 CCC1(CCCC1)NC(=O)C MCULE-2534167271 [0,1,0,0,0,1|2,0,0]=4 2595 B11R1.1062 NCC1(CCCC1)CC(=O)O MCULE-3599384170 [0,1,0,0,0,1|0,0,0]=2 2596 B11R1.1062 NCC1(CCCC1)CC(=O)O MCULE-8108091315 [0,1,0,0,0,1|0,0,0]=2 2597 B11R1.421 CC1(CNCC1CO)C(=O)O MCULE-1211332040 [0,2,0,0,0,0|2,0,0]=4 2598 B11R1.421 CCC1CCCC1(C)C(=O)O MCULE-6788329721 [0,2,0,0,0,0|1,0,0]=3 2599 B11R1.421 CCC1CNCC1(C)C(=O)O MCULE-6125923217 [0,2,0,0,0,0|2,0,0]=4 2600 B11R1.490 CN1CC(CC1(C)C(=O)O)O MCULE-1198947553 [0,2,0,0,0,0|2,0,0]=4 2601 B11R1.490 CN1CC(CC1(C)C(=O)O)O MCULE-6991153536 [0,2,0,0,0,0|2,0,0]=4 2602 B11R1.1386 CC1(CCCC1(F)F)C(=O)O MCULE-7245083168 [0,2,0,0,0,0|1,0,0]=3 2603 B11R1.1386 CC1(CCCC1(N)C(=O)O)C MCULE-4148753420 [0,2,0,0,0,0|0,0,0]=2 2604 B11R1.1386 CC1(CCCS1(=O)=O)C(=O)O MCULE-5132755765 [0,2,0,0,0,0|2,0,0]=4 2605 B11R1.1470 COC(=O)C1(CCCC1=O)C MCULE-1685517597 [0,2,0,0,0,0|1,0,1]=4 2606 B11R1.1470 COC(=O)[C@]1(CNC[C@H]1C)C MCULE-4680197577 [0,2,0,0,0,0|2,0,0]=4 2607 B11R1.1061 CS(=O)(=O)C1(CCCC1)CN MCULE-1638903361 [0,2,0,0,0,0|1,0,1]=4 2608 B11R1.1061 CS(=O)(=O)C1(CCCC1)CN MCULE-4656936889 [0,2,0,0,0,0|1,0,1]=4 2609 B11R1.819 CCNC(=O)C1(CCCC1)N MCULE-1196841664 [0,2,0,0,0,0|1,0,0]=3 2610 B11R1.819 CCNC(=O)C1(CCCC1)N MCULE-2251722727 [0,2,0,0,0,0|1,0,0]=3 2611 B11R1.819 CCOC(=O)C1(CC=CC1)N MCULE-4687550854 [0,2,0,0,0,0|0,0,2]=4 2612 B11R1.819 CCOC(=O)C1(CC=CC1)N MCULE-7654361166 [0,2,0,0,0,0|0,0,2]=4 2613 B11R1.819 CCOC(=O)C1(CCCC1)Br MCULE-6795532059 [0,2,0,0,0,0|1,0,0]=3 2614 B11R1.819 CCOC(=O)C1(CCCC1)C MCULE-3454924880 [0,2,0,0,0,0|1,0,0]=3 2615 B11R1.819 CCOC(=O)C1(CCCC1)N MCULE-2293395114 [0,2,0,0,0,0|0,0,0]=2 2616 B11R1.819 CCOC(=O)C1(CCCC1)N MCULE-3483813751 [0,2,0,0,0,0|0,0,0]=2 2617 B11R1.819 CCOC(=O)C1(CCCC1)O MCULE-9145127134 [0,2,0,0,0,0|1,0,0]=3 2618 B11R1.819 CCOC(=O)C1(CCCO1)C MCULE-1835403918 [0,2,0,0,0,0|2,0,0]=4 2619 B11R1.819 CCOC(=O)C1(CCNC1)C MCULE-3422559462 [0,2,0,0,0,0|2,0,0]=4 2620 B11R1.819 CCOC(=O)C1(CCNC1)C MCULE-3901233174 [0,2,0,0,0,0|2,0,0]=4 2621 B11R1.819 CCOC(=O)C1(CCSC1)O MCULE-5725288137 [0,2,0,0,0,0|2,0,0]=4 2622 B11R1.819 CCOC(=O)[C@@]1(CCCN1)C MCULE-9499721672 [0,2,0,0,0,0|2,0,0]=4 2623 B11R1.819 CCOC(=O)[C@@]1(CCNC1)C MCULE-9744958210 [0,2,0,0,0,0|2,0,0]=4 2624 B11R1.819 CCOC(=O)[C@]1(CCNC1)C MCULE-9670452483 [0,2,0,0,0,0|2,0,0]=4 2625 B11R1.885 CNC(=O)C1(CCC(C1)N)C MCULE-1793481318 [0,2,0,0,0,0|2,0,0]=4 2626 B11R1.885 CNC(=O)C1(CCC(C1)N)C MCULE-9334348985 [0,2,0,0,0,0|2,0,0]=4 2627 B11R1.885 CNC(=O)[C@@]1(CC[C@H](C1)N)C MCULE-1273484144 [0,2,0,0,0,0|2,0,0]=4 2628 B11R1.885 CNC(=O)[C@@]1(CC[C@H](C1)N)C MCULE-3916949547 [0,2,0,0,0,0|2,0,0]=4 2629 B11R1.885 CNC(=O)[C@@]1(CC[C@H](C1)N)C MCULE-4825959273 [0,2,0,0,0,0|2,0,0]=4 2630 B11R1.885 CNC(=O)[C@@]1(CC[C@H](C1)N)C MCULE-8119770951 [0,2,0,0,0,0|2,0,0]=4 2631 B11R1.885 CNC(=O)[C@]1(CC[C@H](C1)N)C MCULE-5834574189 [0,2,0,0,0,0|2,0,0]=4 2632 B11R1.885 CNC(=O)[C@]1(CC[C@H](C1)N)C MCULE-8725232841 [0,2,0,0,0,0|2,0,0]=4 2633 B11R1.885 COC(=O)C1(CCC(=O)C1)C MCULE-9354640301 [0,2,0,0,0,0|1,0,1]=4 2634 B11R1.885 COC(=O)C1(CCC(C1)N)C MCULE-4730550105 [0,2,0,0,0,0|1,0,0]=3 2635 B11R1.885 COC(=O)C1(CCC(C1)N)C MCULE-5763657508 [0,2,0,0,0,0|1,0,0]=3 2636 B11R1.885 COC(=O)C1(CCN(C1)C)C MCULE-2320118491 [0,2,0,0,0,0|2,0,0]=4 2637 B11R1.885 COC(=O)[C@@]1(CC[C@H](C1)N)C MCULE-1430449084 [0,2,0,0,0,0|1,0,0]=3 2638 B11R1.885 COC(=O)[C@@]1(CC[C@H](C1)N)C MCULE-7995456134 [0,2,0,0,0,0|1,0,0]=3 2639 B11R1.1472 CCC1(CCCN1)C(=O)OC MCULE-7143656709 [0,2,0,0,0,0|2,0,0]=4 2640 B11R1.1472 CCC1(CCCN1)C(=O)OC MCULE-8400794829 [0,2,0,0,0,0|2,0,0]=4 2641 B11R1.1472 CC[C@]1(CCCN1)C(=O)OC MCULE-3490007039 [0,2,0,0,0,0|2,0,0]=4 2642 B11R1.1472 CC[C@]1(CCCN1)C(=O)OC MCULE-6560699711 [0,2,0,0,0,0|2,0,0]=4 2643 B11R1.1472 CNC1(CCCC1)C(=O)OC MCULE-3636294966 [0,2,0,0,0,0|0,0,0]=2 2644 B11R1.1472 CNC1(CCSC1)C(=O)OC MCULE-2677797864 [0,2,0,0,0,0|1,0,0]=3 2645 B11R1.1472 COC(=O)C1(CCCC1)C#N MCULE-8462540862 [0,2,0,0,0,0|0,0,1]=3 2646 B11R1.1472 COC(=O)C1(CCCC1)CBr MCULE-8121902190 [0,2,0,0,0,0|1,0,0]=3 2647 B11R1.1472 COC(=O)C1(CCCC1)CN MCULE-7843446671 [0,2,0,0,0,0|0,0,0]=2 2648 B11R1.1472 COC(=O)C1(CCCC1)CN MCULE-9787977893 [0,2,0,0,0,0|0,0,0]=2 2649 B11R1.1472 COC(=O)C1(CCCO1)CO MCULE-2288707762 [0,2,0,0,0,0|2,0,0]=4 2650 B11R1.1472 COC(=O)C1(CCNC1)OC MCULE-7946705756 [0,2,0,0,0,0|2,0,0]=4 2651 B11R1.1472 COC(=O)C1(CCNC1)OC MCULE-9815566481 [0,2,0,0,0,0|2,0,0]=4 2652 B11R1.1472 COC(=O)C1(CCOC1)OC MCULE-4200608813 [0,2,0,0,0,0|2,0,0]=4 2653 B11R1.738 CC1(CCC(C1)(F)F)C(=O)O MCULE-8349419788 [0,2,0,0,0,0|1,0,0]=3 2654 B11R1.738 CC1(CCC(C1)(N)C(=O)O)C MCULE-1239891143 [0,2,0,0,0,0|0,0,0]=2 2655 B11R1.738 CC1(CCC(C1)(N)C(=O)O)C MCULE-8274719221 [0,2,0,0,0,0|0,0,0]=2 2656 B11R1.738 C[C@]1(CC(CN1)(F)F)C(=O)O MCULE-7452254738 [0,2,0,0,0,0|2,0,0]=4 2657 B11R1.738 NC1(CCS(=O)(=O)C1)C(=O)O MCULE-4599248499 [0,2,0,0,0,0|1,0,0]=3 2658 B11R1.738 O=C(O)C1(CCS(=O)(=O)C1)F MCULE-1313519489 [0,2,0,0,0,0|2,0,0]=4 2659 B11R1.1229 CCC1CCC(C1)(O)C(=O)O MCULE-3641341110 [0,2,0,0,0,0|1,0,0]=3 2660 B11R1.1229 COC1CNC(C1)(C)C(=O)O MCULE-1262116514 [0,2,0,0,0,0|2,0,0]=4 2661 B11R1.1229 COC1CNC(C1)(C)C(=O)O MCULE-5809003926 [0,2,0,0,0,0|2,0,0]=4 2662 B11R1.1239 C#CCC1(CCCC1)C(=O)O MCULE-6947326895 [0,2,0,0,0,0|1,0,0]=3 2663 B11R1.1239 C#CCC1(CCCN1)C(=O)O MCULE-1403927568 [0,2,0,0,0,0|2,0,0]=4 2664 B11R1.1239 C#CCC1(CCCN1)C(=O)O MCULE-8342385947 [0,2,0,0,0,0|2,0,0]=4 2665 B11R1.1239 C#CCC1(CCCN1)C(=O)O MCULE-8641336019 [0,2,0,0,0,0|2,0,0]=4 2666 B11R1.1239 C#CCC1(CCCN1)C(=O)O MCULE-9795420008 [0,2,0,0,0,0|2,0,0]=4 2667 B11R1.1239 C#CCC1(CCCO1)C(=O)O MCULE-5150826851 [0,2,0,0,0,0|2,0,0]=4 2668 B11R1.1239 C#CCC1(CCOC1)C(=O)O MCULE-9498149998 [0,2,0,0,0,0|2,0,0]=4 2669 B11R1.1239 C#CC[C@@]1(CCCN1)C(=O)O MCULE-2232454318 [0,2,0,0,0,0|2,0,0]=4 2670 B11R1.1239 C#CC[C@@]1(CCCN1)C(=O)O MCULE-5947372828 [0,2,0,0,0,0|2,0,0]=4 2671 B11R1.1239 C#CC[C@@]1(CCCN1)C(=O)O MCULE-5989515834 [0,2,0,0,0,0|2,0,0]=4 2672 B11R1.1239 C#CC[C@@]1(CCCN1)C(=O)O MCULE-7676365544 [0,2,0,0,0,0|2,0,0]=4 2673 B11R1.1239 C#CC[C@]1(CCCN1)C(=O)O MCULE-3359963802 [0,2,0,0,0,0|2,0,0]=4 2674 B11R1.1239 C#CC[C@]1(CCCN1)C(=O)O MCULE-4438951816 [0,2,0,0,0,0|2,0,0]=4 2675 B11R1.1239 C#CC[C@]1(CCCN1)C(=O)O MCULE-8843008239 [0,2,0,0,0,0|2,0,0]=4 2676 B11R1.1239 C#CC[C@]1(CCCN1)C(=O)O MCULE-9837916245 [0,2,0,0,0,0|2,0,0]=4 2677 B11R1.1239 C=CCC1(CCCC1)C(=O)O MCULE-1943404346 [0,2,0,0,0,0|1,0,0]=3 2678 B11R1.1239 C=CCC1(CCCN1)C(=O)O MCULE-1415865757 [0,2,0,0,0,0|2,0,0]=4 2679 B11R1.1239 C=CCC1(CCCN1)C(=O)O MCULE-4672098724 [0,2,0,0,0,0|2,0,0]=4 2680 B11R1.1239 C=CCC1(CCCN1)C(=O)O MCULE-6014624622 [0,2,0,0,0,0|2,0,0]=4 2681 B11R1.1239 C=CCC1(CCCN1)C(=O)O MCULE-6287711378 [0,2,0,0,0,0|2,0,0]=4 2682 B11R1.1239 C=CC[C@@]1(CCCN1)C(=O)O MCULE-2516270823 [0,2,0,0,0,0|2,0,0]=4 2683 B11R1.1239 C=CC[C@@]1(CCCN1)C(=O)O MCULE-3478188504 [0,2,0,0,0,0|2,0,0]=4 2684 B11R1.1239 C=CC[C@@]1(CCCN1)C(=O)O MCULE-5072885062 [0,2,0,0,0,0|2,0,0]=4 2685 B11R1.1239 C=CC[C@@]1(CCCN1)C(=O)O MCULE-5387696060 [0,2,0,0,0,0|2,0,0]=4 2686 B11R1.1239 C=CC[C@]1(CCCN1)C(=O)O MCULE-1671742651 [0,2,0,0,0,0|2,0,0]=4 2687 B11R1.1239 C=CC[C@]1(CCCN1)C(=O)O MCULE-4806219236 [0,2,0,0,0,0|2,0,0]=4 2688 B11R1.1239 C=CC[C@]1(CCCN1)C(=O)O MCULE-5511436537 [0,2,0,0,0,0|2,0,0]=4 2689 B11R1.1239 C=CC[C@]1(CCCN1)C(=O)O MCULE-8014594199 [0,2,0,0,0,0|2,0,0]=4 2690 B11R1.1239 CCCC1(CCCN1)C(=O)O MCULE-4996417067 [0,2,0,0,0,0|2,0,0]=4 2691 B11R1.1239 CCCC1(CCCN1)C(=O)O MCULE-7791679512 [0,2,0,0,0,0|2,0,0]=4 2692 B11R1.1239 CCC[C@]1(CCCN1)C(=O)O MCULE-9371463504 [0,2,0,0,0,0|2,0,0]=4 2693 B11R1.1239 CCOC1(CCCC1)C(=O)O MCULE-4011994377 [0,2,0,0,0,0|1,0,0]=3 2694 B11R1.1239 COCC1(CCCC1)C(=O)N MCULE-8317060353 [0,2,0,0,0,0|2,0,0]=4 2695 B11R1.1239 COCC1(CCCC1)C(=O)O MCULE-3378176919 [0,2,0,0,0,0|1,0,0]=3 2696 B11R1.1239 COCC1(CCCN1)C(=O)O MCULE-6933694896 [0,2,0,0,0,0|2,0,0]=4 2697 B11R1.1239 COCC1(CCCN1)C(=O)O MCULE-9894897145 [0,2,0,0,0,0|2,0,0]=4 2698 B11R1.1239 COCC1(CCCO1)C(=O)O MCULE-5930784439 [0,2,0,0,0,0|2,0,0]=4 2699 B11R1.1239 COCC1(CCNC1)C(=O)O MCULE-2981641932 [0,2,0,0,0,0|2,0,0]=4 2700 B11R1.1239 COCC1(CCNC1)C(=O)O MCULE-3093738240 [0,2,0,0,0,0|2,0,0]=4 2701 B11R1.1239 COCC1(CCOC1)C(=O)O MCULE-6639499778 [0,2,0,0,0,0|2,0,0]=4 2702 B11R1.1239 O=C(O)C1(CCNC1)CCO MCULE-6262681434 [0,2,0,0,0,0|2,0,0]=4 2703 B11R1.1385 CC(C)[C@@]1(CCCN1)C(=O)O MCULE-1284531037 [0,2,0,0,0,0|2,0,0]=4 2704 B11R1.1385 CN(C)C1(CCCC1)C(=O)N MCULE-1838673832 [0,2,0,0,0,0|1,0,0]=3 2705 B11R1.1385 CN(C)C1(CCCC1)C(=O)O MCULE-4694908524 [0,2,0,0,0,0|0,0,0]=2 2706 B11R1.1385 CN(C)C1(CCSC1)C(=O)N MCULE-2651765285 [0,2,0,0,0,0|2,0,0]=4 2707 B11R1.1385 CN(C)C1(CCSC1)C(=O)O MCULE-5588121920 [0,2,0,0,0,0|1,0,0]=3 2708 B11R1.1385 NC(=O)C1(CCCC1)C(=O)O MCULE-1628041900 [0,2,0,0,0,0|0,0,0]=2 2709 B11R1.1385 O=C(O)C1(CCCC1)C(=O)O MCULE-1176845799 [0,2,0,0,0,0|1,0,0]=3 2710 B11R1.1385 O=C(O)C1(CCCC1)C(F)F MCULE-4072487233 [0,2,0,0,0,0|1,0,0]=3 2711 B11R1.1385 O=C(O)C1(CCNC1)C(F)F MCULE-6422333335 [0,2,0,0,0,0|2,0,0]=4 2712 B11R1.1385 O=C(O)C1(CCNC1)C(F)F MCULE-7016769713 [0,2,0,0,0,0|2,0,0]=4 2713 B9R1.5 CC1CCCCCC1=O MCULE-3737709008 [0,0,1,1,0,0|2,0,0]=4 2714 B9R1.5 CC1CCCCNC1=O MCULE-6519247850 [0,0,1,1,0,0|2,0,0]=4 2715 B9R1.5 NC1CCCCCC1=O MCULE-1905655125 [0,0,1,1,0,0|1,0,0]=3 2716 B9R1.5 NC1CCCCCC1=O MCULE-7826089166 [0,0,1,1,0,0|1,0,0]=3 2717 B9R1.5 NC1CCCCCC1O MCULE-8315023618 [0,0,1,1,0,0|1,0,1]=4 2718 B9R1.5 NC1CCCCNC1=O MCULE-1440525393 [0,0,1,1,0,0|1,0,0]=3 2719 B9R1.5 NC1CCCCNC1=O MCULE-9185446308 [0,0,1,1,0,0|1,0,0]=3 2720 B9R1.5 NC1CCCCNC1=O MCULE-9575519565 [0,0,1,1,0,0|1,0,0]=3 2721 B9R1.5 NC1CCCCNC1=O MCULE-9618135909 [0,0,1,1,0,0|1,0,0]=3 2722 B9R1.5 NC1CSCCNC1=O MCULE-7770173405 [0,0,1,1,0,0|2,0,0]=4 2723 B9R1.5 NC1CSCCNC1=O MCULE-9983094521 [0,0,1,1,0,0|2,0,0]=4 2724 B9R1.5 N[C@@H]1CCCCC[C@@H]1O MCULE-2063759577 [0,0,1,1,0,0|1,0,1]=4 2725 B9R1.5 N[C@@H]1CCCCC[C@@H]1O MCULE-8213087274 [0,0,1,1,0,0|1,0,1]=4 2726 B9R1.5 N[C@@H]1CCCCC[C@H]1O MCULE-5613622981 [0,0,1,1,0,0|1,0,1]=4 2727 B9R1.5 N[C@@H]1CCCCNC1=O MCULE-5153147263 [0,0,1,1,0,0|1,0,0]=3 2728 B9R1.5 N[C@@H]1CCCCNC1=O MCULE-7391081425 [0,0,1,1,0,0|1,0,0]=3 2729 B9R1.5 N[C@@H]1CCCCNC1=O MCULE-7745749225 [0,0,1,1,0,0|1,0,0]=3 2730 B9R1.5 N[C@@H]1CCCCNC1=O MCULE-8592559653 [0,0,1,1,0,0|1,0,0]=3 2731 B9R1.5 N[C@@H]1COCCNC1=O MCULE-1477215870 [0,0,1,1,0,0|2,0,0]=4 2732 B9R1.5 N[C@@H]1COCCNC1=O MCULE-2338970221 [0,0,1,1,0,0|2,0,0]=4 2733 B9R1.5 N[C@@H]1CSCCNC1=O MCULE-1397409442 [0,0,1,1,0,0|2,0,0]=4 2734 B9R1.5 N[C@@H]1CSCCNC1=O MCULE-7600788919 [0,0,1,1,0,0|2,0,0]=4 2735 B9R1.5 N[C@H]1CCCCC[C@@H]1O MCULE-6991711117 [0,0,1,1,0,0|1,0,1]=4 2736 B9R1.5 N[C@H]1CCCCC[C@H]1O MCULE-2920839467 [0,0,1,1,0,0|1,0,1]=4 2737 B9R1.5 N[C@H]1CCCCC[C@H]1O MCULE-2969566133 [0,0,1,1,0,0|1,0,1]=4 2738 B9R1.5 N[C@H]1CCCCNC1=O MCULE-1339098987 [0,0,1,1,0,0|1,0,0]=3 2739 B9R1.5 N[C@H]1CCCCNC1=O MCULE-1817473261 [0,0,1,1,0,0|1,0,0]=3 2740 B9R1.5 N[C@H]1CCCCNC1=O MCULE-2707429520 [0,0,1,1,0,0|1,0,0]=3 2741 B9R1.5 N[C@H]1CCCCNC1=O MCULE-9750792164 [0,0,1,1,0,0|1,0,0]=3 2742 B9R1.5 N[C@H]1COCCNC1=O MCULE-2013857076 [0,0,1,1,0,0|2,0,0]=4 2743 B9R1.5 N[C@H]1COCCNC1=O MCULE-4948373035 [0,0,1,1,0,0|2,0,0]=4 2744 B9R1.5 N[C@H]1COCCNC1=O MCULE-6232646531 [0,0,1,1,0,0|2,0,0]=4 2745 B9R1.5 N[C@H]1COCCNC1=O MCULE-7847351792 [0,0,1,1,0,0|2,0,0]=4 2746 B9R1.5 N[C@H]1CSCCNC1=O MCULE-4925355772 [0,0,1,1,0,0|2,0,0]=4 2747 B9R1.5 N[C@H]1CSCCNC1=O MCULE-6049507227 [0,0,1,1,0,0|2,0,0]=4 2748 B9R1.5 N[C@H]1CSCCNC1=O MCULE-8145988653 [0,0,1,1,0,0|2,0,0]=4 2749 B9R1.5 O=C1CCCCCC1Br MCULE-8987490106 [0,0,1,1,0,0|2,0,0]=4 2750 B9R1.5 O=C1CCCCCC1Cl MCULE-8475724231 [0,0,1,1,0,0|2,0,0]=4 2751 B9R1.5 O=C1CCCCCC1F MCULE-9375666074 [0,0,1,1,0,0|2,0,0]=4 2752 B9R1.5 O=C1CCCCCC1O MCULE-1763055677 [0,0,1,1,0,0|2,0,0]=4 2753 B9R1.5 O=C1NCCCCC1Br MCULE-1879428965 [0,0,1,1,0,0|2,0,0]=4 2754 B9R1.6 C1(CCCNC1)C(=O)O MCULE-5804171064 [0,0,1,1,0,0|2,0,0]=4 2755 B9R1.6 C1(CNCCN1)C(=O)O MCULE-2145678876 [0,0,1,1,0,0|1,0,0]=3 2756 B9R1.6 C1(CNCCN1)C(=O)O MCULE-9477513225 [0,0,1,1,0,0|1,0,0]=3 2757 B9R1.6 C1(COCCN1)C(=O)O MCULE-7653061162 [0,0,1,1,0,0|1,0,0]=3 2758 B9R1.6 C1(COCCN1)C(=O)O MCULE-8375563970 [0,0,1,1,0,0|1,0,0]=3 2759 B9R1.6 C=C(O)C1CNCCN1 MCULE-4032832858 [0,0,1,1,0,0|2,0,0]=4 2760 B9R1.6 C=C(O)C1CNCCN1 MCULE-7014741917 [0,0,1,1,0,0|2,0,0]=4 2761 B9R1.6 CC(=O)C1CCCCC1 MCULE-3582349091 [0,0,1,1,0,0|2,0,0]=4 2762 B9R1.6 CC(=O)C1CCCCN1 MCULE-2854776557 [0,0,1,1,0,0|1,0,0]=3 2763 B9R1.6 CC(=O)C1CCCCN1 MCULE-7483298696 [0,0,1,1,0,0|1,0,0]=3 2764 B9R1.6 CC(=O)C1CCCCO1 MCULE-6292051941 [0,0,1,1,0,0|2,0,0]=4 2765 B9R1.6 CC(=O)[C@@H]1CCCCN1 MCULE-6225629414 [0,0,1,1,0,0|1,0,0]=3 2766 B9R1.6 CC(=O)[C@@H]1CCCCN1 MCULE-9308955565 [0,0,1,1,0,0|1,0,0]=3 2767 B9R1.6 CC(=O)[C@H]1CCCCN1 MCULE-6405789728 [0,0,1,1,0,0|1,0,0]=3 2768 B9R1.6 CC(=O)[C@H]1CCCCN1 MCULE-6966774576 [0,0,1,1,0,0|1,0,0]=3 2769 B9R1.6 CC(O)C1CCCCN1 MCULE-2559324365 [0,0,1,1,0,0|1,0,1]=4 2770 B9R1.6 N=C(N)C1CCCCN1 MCULE-3219883116 [0,0,1,1,0,0|2,0,0]=4 2771 B9R1.6 N=C(N)C1CCCCN1 MCULE-8067475683 [0,0,1,1,0,0|2,0,0]=4 2772 B9R1.6 NC(=O)C1CCCCC1 MCULE-8611311863 [0,0,1,1,0,0|2,0,0]=4 2773 B9R1.6 NC(=O)C1CCCCN1 MCULE-2544126054 [0,0,1,1,0,0|1,0,0]=3 2774 B9R1.6 NC(=O)C1CCCCN1 MCULE-6661716686 [0,0,1,1,0,0|1,0,0]=3 2775 B9R1.6 NC(=O)C1CNCCN1 MCULE-6032361805 [0,0,1,1,0,0|2,0,0]=4 2776 B9R1.6 NC(=O)C1CNCCN1 MCULE-7459621704 [0,0,1,1,0,0|2,0,0]=4 2777 B9R1.6 NC(=O)C1COCCN1 MCULE-3997305592 [0,0,1,1,0,0|2,0,0]=4 2778 B9R1.6 NC(=O)C1COCCN1 MCULE-8679226087 [0,0,1,1,0,0|2,0,0]=4 2779 B9R1.6 NC(=O)C1CSCCN1 MCULE-5519659168 [0,0,1,1,0,0|2,0,0]=4 2780 B9R1.6 NC(=O)[C@@H]1CNCCN1 MCULE-3203472135 [0,0,1,1,0,0|2,0,0]=4 2781 B9R1.6 NC(=O)[C@@H]1CNCCN1 MCULE-3866777440 [0,0,1,1,0,0|2,0,0]=4 2782 B9R1.6 NC(=O)[C@@H]1CNCCN1 MCULE-6105431602 [0,0,1,1,0,0|2,0,0]=4 2783 B9R1.6 NC(=O)[C@@H]1CNCCN1 MCULE-7727900968 [0,0,1,1,0,0|2,0,0]=4 2784 B9R1.6 NC(=O)[C@H]1CCCCN1 MCULE-5554529404 [0,0,1,1,0,0|1,0,0]=3 2785 B9R1.6 NC(=O)[C@H]1CNCCN1 MCULE-1527418805 [0,0,1,1,0,0|2,0,0]=4 2786 B9R1.6 NC(=O)[C@H]1CNCCN1 MCULE-6529490056 [0,0,1,1,0,0|2,0,0]=4 2787 B9R1.6 NC(=O)[C@H]1CNCCN1 MCULE-9894216692 [0,0,1,1,0,0|2,0,0]=4 2788 B9R1.6 NC(=O)[C@H]1COCCN1 MCULE-1904729907 [0,0,1,1,0,0|2,0,0]=4 2789 B9R1.6 NC(=O)[C@H]1COCCN1 MCULE-7069433109 [0,0,1,1,0,0|2,0,0]=4 2790 B9R1.6 NC(=O)[C@H]1COCCN1 MCULE-7970834070 [0,0,1,1,0,0|2,0,0]=4 2791 B9R1.6 NC(=O)[C@H]1COCCN1 MCULE-9117686776 [0,0,1,1,0,0|2,0,0]=4 2792 B9R1.6 O=C(Cl)C1CCCCC1 MCULE-5867897390 [0,0,1,1,0,0|2,0,0]=4 2793 B9R1.6 O=C(Cl)C1CCCCO1 MCULE-2871405989 [0,0,1,1,0,0|2,0,0]=4 2794 B9R1.6 O=C(O)C1=CCCCC1 MCULE-1482472372 [0,0,1,1,0,0|1,0,1]=4 2795 B9R1.6 O=C(O)C1C=CCCC1 MCULE-7827178223 [0,0,1,1,0,0|1,0,1]=4 2796 B9R1.6 O=C(O)C1CCCCC1 MCULE-2193918964 [0,0,1,1,0,0|1,0,0]=3 2797 B9R1.6 O=C(O)C1CCCCN1 MCULE-3485439173 [0,0,1,1,0,0|0,0,0]=2 2798 B9R1.6 O=C(O)C1CCCCN1 MCULE-4576094783 [0,0,1,1,0,0|0,0,0]=2 2799 B9R1.6 O=C(O)C1CCCCN1 MCULE-4851525706 [0,0,1,1,0,0|0,0,0]=2 2800 B9R1.6 O=C(O)C1CCCCN1 MCULE-6801625058 [0,0,1,1,0,0|0,0,0]=2 2801 B9R1.6 O=C(O)C1CCCCO1 MCULE-8947688342 [0,0,1,1,0,0|1,0,0]=3 2802 B9R1.6 O=C(O)C1CCCCS1 MCULE-6466357833 [0,0,1,1,0,0|1,0,0]=3 2803 B9R1.6 O=C(O)C1CCCNC1 MCULE-3189529983 [0,0,1,1,0,0|2,0,0]=4 2804 B9R1.6 O=C(O)C1CCCNC1 MCULE-5698100100 [0,0,1,1,0,0|2,0,0]=4 2805 B9R1.6 O=C(O)C1CCCNC1 MCULE-9486003126 [0,0,1,1,0,0|2,0,0]=4 2806 B9R1.6 O=C(O)C1CCCNN1 MCULE-1480488255 [0,0,1,1,0,0|1,0,0]=3 2807 B9R1.6 O=C(O)C1CCCNN1 MCULE-3054116225 [0,0,1,1,0,0|1,0,0]=3 2808 B9R1.6 O=C(O)C1CCCOC1 MCULE-3431951803 [0,0,1,1,0,0|2,0,0]=4 2809 B9R1.6 O=C(O)C1CCCSC1 MCULE-1777528306 [0,0,1,1,0,0|2,0,0]=4 2810 B9R1.6 O=C(O)C1CCNCC1 MCULE-5699874022 [0,0,1,1,0,0|2,0,0]=4 2811 B9R1.6 O=C(O)C1CCNCC1 MCULE-7477545245 [0,0,1,1,0,0|2,0,0]=4 2812 B9R1.6 O=C(O)C1CCOCC1 MCULE-4725122837 [0,0,1,1,0,0|2,0,0]=4 2813 B9R1.6 O=C(O)C1CCOCN1 MCULE-2724570105 [0,0,1,1,0,0|1,0,0]=3 2814 B9R1.6 O=C(O)C1CCOCN1 MCULE-7891527992 [0,0,1,1,0,0|1,0,0]=3 2815 B9R1.6 O=C(O)C1CCSCC1 MCULE-5031108601 [0,0,1,1,0,0|2,0,0]=4 2816 B9R1.6 O=C(O)C1CCSCN1 MCULE-7351632016 [0,0,1,1,0,0|1,0,0]=3 2817 B9R1.6 O=C(O)C1CCSCN1 MCULE-7786919982 [0,0,1,1,0,0|1,0,0]=3 2818 B9R1.6 O=C(O)C1CNCCN1 MCULE-2689074129 [0,0,1,1,0,0|1,0,0]=3 2819 B9R1.6 O=C(O)C1CNCCN1 MCULE-4697614875 [0,0,1,1,0,0|1,0,0]=3 2820 B9R1.6 O=C(O)C1CNCCN1 MCULE-7015381558 [0,0,1,1,0,0|1,0,0]=3 2821 B9R1.6 O=C(O)C1CNCCO1 MCULE-1106448255 [0,0,1,1,0,0|2,0,0]=4 2822 B9R1.6 O=C(O)C1CNCCO1 MCULE-5402647836 [0,0,1,1,0,0|2,0,0]=4 2823 B9R1.6 O=C(O)C1CNCCO1 MCULE-5647993069 [0,0,1,1,0,0|2,0,0]=4 2824 B9R1.6 O=C(O)C1CNCCO1 MCULE-6949638629 [0,0,1,1,0,0|2,0,0]=4 2825 B9R1.6 O=C(O)C1CNCCS1 MCULE-3981762124 [0,0,1,1,0,0|2,0,0]=4 2826 B9R1.6 O=C(O)C1CNCCS1 MCULE-4631923202 [0,0,1,1,0,0|2,0,0]=4 2827 B9R1.6 O=C(O)C1COCCN1 MCULE-2235592409 [0,0,1,1,0,0|1,0,0]=3 2828 B9R1.6 O=C(O)C1COCCN1 MCULE-6865044459 [0,0,1,1,0,0|1,0,0]=3 2829 B9R1.6 O=C(O)C1COCCO1 MCULE-3887767361 [0,0,1,1,0,0|2,0,0]=4 2830 B9R1.6 O=C(O)C1COCCO1 MCULE-6027603960 [0,0,1,1,0,0|2,0,0]=4 2831 B9R1.6 O=C(O)C1CSCCN1 MCULE-4003309722 [0,0,1,1,0,0|1,0,0]=3 2832 B9R1.6 O=C(O)C1CSCCN1 MCULE-5519716572 [0,0,1,1,0,0|1,0,0]=3 2833 B9R1.6 O=C(O)C1CSCCS1 MCULE-6267524662 [0,0,1,1,0,0|2,0,0]=4 2834 B9R1.6 O=C(O)C1NCCCS1 MCULE-7316372918 [0,0,1,1,0,0|1,0,0]=3 2835 B9R1.6 O=C(O)C1OCCCO1 MCULE-6505925267 [0,0,1,1,0,0|2,0,0]=4 2836 B9R1.6 O=C(O)C1SCCCS1 MCULE-6447130734 [0,0,1,1,0,0|2,0,0]=4 2837 B9R1.6 O=C(O)N1CCCCC1 MCULE-2727154893 [0,0,1,1,0,0|2,0,0]=4 2838 B9R1.6 O=C(O)N1CCCCC1 MCULE-4559010344 [0,0,1,1,0,0|2,0,0]=4 2839 B9R1.6 O=C(O)[C@@H]1CCCCN1 MCULE-3257537289 [0,0,1,1,0,0|0,0,0]=2 2840 B9R1.6 O=C(O)[C@@H]1CCCCN1 MCULE-7236775885 [0,0,1,1,0,0|0,0,0]=2 2841 B9R1.6 O=C(O)[C@@H]1CCCCN1 MCULE-8859089797 [0,0,1,1,0,0|0,0,0]=2 2842 B9R1.6 O=C(O)[C@@H]1CCCCN1 MCULE-9674307172 [0,0,1,1,0,0|0,0,0]=2 2843 B9R1.6 O=C(O)[C@@H]1CCCCO1 MCULE-4995364653 [0,0,1,1,0,0|1,0,0]=3 2844 B9R1.6 O=C(O)[C@@H]1CCCCO1 MCULE-8767901302 [0,0,1,1,0,0|1,0,0]=3 2845 B9R1.6 O=C(O)[C@@H]1CCCNC1 MCULE-3206278693 [0,0,1,1,0,0|2,0,0]=4 2846 B9R1.6 O=C(O)[C@@H]1CCCNC1 MCULE-5509362549 [0,0,1,1,0,0|2,0,0]=4 2847 B9R1.6 O=C(O)[C@@H]1CCCNC1 MCULE-8357747886 [0,0,1,1,0,0|2,0,0]=4 2848 B9R1.6 O=C(O)[C@@H]1CCCNC1 MCULE-9156802088 [0,0,1,1,0,0|2,0,0]=4 2849 B9R1.6 O=C(O)[C@@H]1CCCNN1 MCULE-1404699605 [0,0,1,1,0,0|1,0,0]=3 2850 B9R1.6 O=C(O)[C@@H]1CCCNN1 MCULE-4463982289 [0,0,1,1,0,0|1,0,0]=3 2851 B9R1.6 O=C(O)[C@@H]1CCCNN1 MCULE-6113826647 [0,0,1,1,0,0|1,0,0]=3 2852 B9R1.6 O=C(O)[C@@H]1CCCOC1 MCULE-8270310960 [0,0,1,1,0,0|2,0,0]=4 2853 B9R1.6 O=C(O)[C@@H]1CCCOC1 MCULE-9211958407 [0,0,1,1,0,0|2,0,0]=4 2854 B9R1.6 O=C(O)[C@@H]1CNCCN1 MCULE-2545046706 [0,0,1,1,0,0|1,0,0]=3 2855 B9R1.6 O=C(O)[C@@H]1CNCCN1 MCULE-5694807182 [0,0,1,1,0,0|1,0,0]=3 2856 B9R1.6 O=C(O)[C@@H]1CNCCN1 MCULE-7177432982 [0,0,1,1,0,0|1,0,0]=3 2857 B9R1.6 O=C(O)[C@@H]1CNCCN1 MCULE-7413709257 [0,0,1,1,0,0|1,0,0]=3 2858 B9R1.6 O=C(O)[C@@H]1CNCCO1 MCULE-3078161658 [0,0,1,1,0,0|2,0,0]=4 2859 B9R1.6 O=C(O)[C@@H]1CNCCO1 MCULE-4550123668 [0,0,1,1,0,0|2,0,0]=4 2860 B9R1.6 O=C(O)[C@@H]1CNCCO1 MCULE-7218215777 [0,0,1,1,0,0|2,0,0]=4 2861 B9R1.6 O=C(O)[C@@H]1CNCCO1 MCULE-7983160968 [0,0,1,1,0,0|2,0,0]=4 2862 B9R1.6 O=C(O)[C@@H]1CNCCS1 MCULE-6650545170 [0,0,1,1,0,0|2,0,0]=4 2863 B9R1.6 O=C(O)[C@@H]1COCCN1 MCULE-1789021231 [0,0,1,1,0,0|1,0,0]=3 2864 B9R1.6 O=C(O)[C@@H]1COCCN1 MCULE-4026574279 [0,0,1,1,0,0|1,0,0]=3 2865 B9R1.6 O=C(O)[C@@H]1COCCN1 MCULE-7736477261 [0,0,1,1,0,0|1,0,0]=3 2866 B9R1.6 O=C(O)[C@@H]1COCCN1 MCULE-8166049277 [0,0,1,1,0,0|1,0,0]=3 2867 B9R1.6 O=C(O)[C@@H]1COCCO1 MCULE-3560012987 [0,0,1,1,0,0|2,0,0]=4 2868 B9R1.6 O=C(O)[C@@H]1COCCO1 MCULE-8883141087 [0,0,1,1,0,0|2,0,0]=4 2869 B9R1.6 O=C(O)[C@@H]1CSCCN1 MCULE-3905601111 [0,0,1,1,0,0|1,0,0]=3 2870 B9R1.6 O=C(O)[C@@H]1CSCCN1 MCULE-9668825603 [0,0,1,1,0,0|1,0,0]=3 2871 B9R1.6 O=C(O)[C@@H]1CSCCN1 MCULE-9675980130 [0,0,1,1,0,0|1,0,0]=3 2872 B9R1.6 O=C(O)[C@H]1CCCCN1 MCULE-8281618311 [0,0,1,1,0,0|0,0,0]=2 2873 B9R1.6 O=C(O)[C@H]1CCCCN1 MCULE-8486513131 [0,0,1,1,0,0|0,0,0]=2 2874 B9R1.6 O=C(O)[C@H]1CCCCN1 MCULE-9333123477 [0,0,1,1,0,0|0,0,0]=2 2875 B9R1.6 O=C(O)[C@H]1CCCCN1 MCULE-9786740249 [0,0,1,1,0,0|0,0,0]=2 2876 B9R1.6 O=C(O)[C@H]1CCCCO1 MCULE-2856988466 [0,0,1,1,0,0|1,0,0]=3 2877 B9R1.6 O=C(O)[C@H]1CCCCO1 MCULE-8960602925 [0,0,1,1,0,0|1,0,0]=3 2878 B9R1.6 O=C(O)[C@H]1CCCNC1 MCULE-5644771403 [0,0,1,1,0,0|2,0,0]=4 2879 B9R1.6 O=C(O)[C@H]1CCCNC1 MCULE-6473613352 [0,0,1,1,0,0|2,0,0]=4 2880 B9R1.6 O=C(O)[C@H]1CCCNC1 MCULE-7395918259 [0,0,1,1,0,0|2,0,0]=4 2881 B9R1.6 O=C(O)[C@H]1CCCNC1 MCULE-8202628107 [0,0,1,1,0,0|2,0,0]=4 2882 B9R1.6 O=C(O)[C@H]1CCCNN1 MCULE-5460978548 [0,0,1,1,0,0|1,0,0]=3 2883 B9R1.6 O=C(O)[C@H]1CCCNN1 MCULE-6296084302 [0,0,1,1,0,0|1,0,0]=3 2884 B9R1.6 O=C(O)[C@H]1CCCOC1 MCULE-3913162278 [0,0,1,1,0,0|2,0,0]=4 2885 B9R1.6 O=C(O)[C@H]1CCCOC1 MCULE-4021468329 [0,0,1,1,0,0|2,0,0]=4 2886 B9R1.6 O=C(O)[C@H]1CCCSC1 MCULE-1373166628 [0,0,1,1,0,0|2,0,0]=4 2887 B9R1.6 O=C(O)[C@H]1CNCCN1 MCULE-2073761586 [0,0,1,1,0,0|1,0,0]=3 2888 B9R1.6 O=C(O)[C@H]1CNCCN1 MCULE-3099021896 [0,0,1,1,0,0|1,0,0]=3 2889 B9R1.6 O=C(O)[C@H]1CNCCN1 MCULE-5862899979 [0,0,1,1,0,0|1,0,0]=3 2890 B9R1.6 O=C(O)[C@H]1CNCCN1 MCULE-8591926633 [0,0,1,1,0,0|1,0,0]=3 2891 B9R1.6 O=C(O)[C@H]1CNCCN1 MCULE-9781518658 [0,0,1,1,0,0|1,0,0]=3 2892 B9R1.6 O=C(O)[C@H]1CNCCO1 MCULE-1051281674 [0,0,1,1,0,0|2,0,0]=4 2893 B9R1.6 O=C(O)[C@H]1CNCCO1 MCULE-2477891803 [0,0,1,1,0,0|2,0,0]=4 2894 B9R1.6 O=C(O)[C@H]1CNCCO1 MCULE-5182952887 [0,0,1,1,0,0|2,0,0]=4 2895 B9R1.6 O=C(O)[C@H]1CNCCO1 MCULE-6051376580 [0,0,1,1,0,0|2,0,0]=4 2896 B9R1.6 O=C(O)[C@H]1CNCCS1 MCULE-7818958113 [0,0,1,1,0,0|2,0,0]=4 2897 B9R1.6 O=C(O)[C@H]1COCCN1 MCULE-2388461804 [0,0,1,1,0,0|1,0,0]=3 2898 B9R1.6 O=C(O)[C@H]1COCCN1 MCULE-3810653827 [0,0,1,1,0,0|1,0,0]=3 2899 B9R1.6 O=C(O)[C@H]1COCCN1 MCULE-6589310258 [0,0,1,1,0,0|1,0,0]=3 2900 B9R1.6 O=C(O)[C@H]1COCCN1 MCULE-9158991594 [0,0,1,1,0,0|1,0,0]=3 2901 B9R1.6 O=C(O)[C@H]1COCCO1 MCULE-6591475838 [0,0,1,1,0,0|2,0,0]=4 2902 B9R1.6 O=C(O)[C@H]1COCCO1 MCULE-9849453248 [0,0,1,1,0,0|2,0,0]=4 2903 B9R1.6 O=C(O)[C@H]1CSCCN1 MCULE-2174373928 [0,0,1,1,0,0|1,0,0]=3 2904 B9R1.6 O=C(O)[C@H]1CSCCN1 MCULE-5936347595 [0,0,1,1,0,0|1,0,0]=3 2905 B9R1.6 O=C(O)[C@H]1CSCCN1 MCULE-8464504119 [0,0,1,1,0,0|1,0,0]=3 2906 B9R1.6 O=C([O-])C1CCCCC1 MCULE-2430887278 [0,0,1,1,0,0|1,0,1]=4 2907 B9R1.6 O=C([O-])C1CCCCN1 MCULE-2358540296 [0,0,1,1,0,0|0,0,1]=3 2908 B9R1.6 O=S(O)C1CCCCC1 MCULE-2447383910 [0,0,1,1,0,0|2,0,0]=4 2909 B9R1.6 [C@H]1(CSCCN1)C(=O)O MCULE-2592294388 [0,0,1,1,0,0|1,0,0]=3 2910 B9R1.40 CC1(CCCCC1N)O MCULE-5300265774 [0,0,1,1,0,0|1,0,1]=4 2911 B9R1.45 C=C1CC1C(N)C(=O)O MCULE-7249491598 [0,0,1,1,0,0|0,0,2]=4 2912 B9R1.59 CCCC1CC1C(=O)O MCULE-5011491615 [0,0,1,1,0,0|1,0,0]=3 2913 B9R1.59 CCC[C@@H]1C[C@@H]1C(=O)O MCULE-8208745989 [0,0,1,1,0,0|1,0,0]=3 2914 B9R1.59 CCC[C@@H]1C[C@H]1C(=O)O MCULE-1448060038 [0,0,1,1,0,0|1,0,0]=3 2915 B9R1.59 CCC[C@H]1C[C@H]1C(=O)O MCULE-6634735984 [0,0,1,1,0,0|1,0,0]=3 2916 B9R1.59 CCOC1CC1C(=O)O MCULE-2083001018 [0,0,1,1,0,0|2,0,0]=4 2917 B9R1.59 CCO[C@@H]1C[C@H]1C(=O)O MCULE-4372225112 [0,0,1,1,0,0|2,0,0]=4 2918 B9R1.59 CCO[C@H]1C[C@@H]1C(=O)O MCULE-5085446325 [0,0,1,1,0,0|2,0,0]=4 2919 B9R1.59 COC[C@@H]1C[C@H]1C(=O)O MCULE-9183962958 [0,0,1,1,0,0|2,0,0]=4 2920 B9R1.69 CC1CCC(C(=O)C1)C MCULE-1189470004 [0,0,1,1,0,0|2,0,0]=4 2921 B9R1.69 CC1CCC(C(=O)N1)N MCULE-4681937866 [0,0,1,1,0,0|1,0,0]=3 2922 B9R1.93 C=C[C@@H]1C[C@]1(N)C(=O)O MCULE-4179168539 [0,0,1,1,0,0|0,0,2]=4 2923 B9R1.93 CCC1CC1(N)C(=O)O MCULE-5139419329 [0,0,1,1,0,0|0,0,0]=2 2924 B9R1.95 CCC1CC(C1)C(=O)O MCULE-4399154195 [0,0,1,1,0,0|1,0,0]=3 2925 B9R1.95 CCC1CC(C1)C(=O)O MCULE-6408590394 [0,0,1,1,0,0|1,0,0]=3 2926 B9R1.95 CCN1CC(C1)C(=O)O MCULE-3132525132 [0,0,1,1,0,0|2,0,0]=4 2927 B9R1.95 CNC1CC(C1)C(=O)O MCULE-1477649750 [0,0,1,1,0,0|2,0,0]=4 2928 B9R1.95 CNC1CC(C1)C(=O)O MCULE-2034598338 [0,0,1,1,0,0|2,0,0]=4 2929 B9R1.95 COC1CC(C1)C(=O)O MCULE-8232247707 [0,0,1,1,0,0|2,0,0]=4 2930 B9R1.95 CO[C@H]1C[C@@H](C1)C(=O)O MCULE-4399635730 [0,0,1,1,0,0|2,0,0]=4 2931 B9R1.95 CO[C@H]1C[C@H](C1)C(=O)O MCULE-1315313306 [0,0,1,1,0,0|2,0,0]=4 2932 B9R1.95 NCC1CC(C1)C(=O)O MCULE-5139246766 [0,0,1,1,0,0|2,0,0]=4 2933 B9R1.95 NCC1CC(C1)C(=O)O MCULE-9472863522 [0,0,1,1,0,0|2,0,0]=4 2934 B9R1.95 NC[C@H]1C[C@H](C1)C(=O)O MCULE-5593414975 [0,0,1,1,0,0|2,0,0]=4 2935 B9R1.95 NC[C@H]1C[C@H](C1)C(=O)O MCULE-9152509638 [0,0,1,1,0,0|2,0,0]=4 2936 B9R1.95 O=C(O)C1CC(C1)CBr MCULE-6774883657 [0,0,1,1,0,0|2,0,0]=4 2937 B9R1.95 O=C(O)C1CC(C1)CF MCULE-2946863798 [0,0,1,1,0,0|2,0,0]=4 2938 B9R1.95 O=C(O)C1CC(C1)CO MCULE-8568823768 [0,0,1,1,0,0|2,0,0]=4 2939 B9R1.95 O=C(O)[C@H]1C[C@@H](C1)CO MCULE-5347571520 [0,0,1,1,0,0|2,0,0]=4 2940 B9R1.95 O=C(O)[C@H]1C[C@H](C1)CO MCULE-6623890968 [0,0,1,1,0,0|2,0,0]=4 2941 B9R1.110 C(N)(C(=O)O)C1CCC1 MCULE-9659994288 [0,0,1,1,0,0|0,0,0]=2 2942 B9R1.110 C(N)(C(=O)O)C1COC1 MCULE-5400337176 [0,0,1,1,0,0|1,0,0]=3 2943 B9R1.110 C=C(C(=O)O)C1CCC1 MCULE-2578265979 [0,0,1,1,0,0|1,0,1]=4 2944 B9R1.110 CC(C(=O)O)C1CCC1 MCULE-1352377374 [0,0,1,1,0,0|1,0,0]=3 2945 B9R1.110 CC(C(=O)O)C1CCC1 MCULE-3278183132 [0,0,1,1,0,0|1,0,0]=3 2946 B9R1.110 CC(C(=O)O)C1CCO1 MCULE-4481804660 [0,0,1,1,0,0|2,0,0]=4 2947 B9R1.110 CC(C(=O)O)C1CNC1 MCULE-3425038216 [0,0,1,1,0,0|2,0,0]=4 2948 B9R1.110 CC(C(=O)O)C1CNC1 MCULE-8368638713 [0,0,1,1,0,0|2,0,0]=4 2949 B9R1.110 CC(C(=O)O)C1COC1 MCULE-1438881074 [0,0,1,1,0,0|2,0,0]=4 2950 B9R1.110 CC(C(=O)O)N1CCC1 MCULE-9923940575 [0,0,1,1,0,0|2,0,0]=4 2951 B9R1.110 NC(=O)C(N)C1CCC1 MCULE-3518352563 [0,0,1,1,0,0|1,0,0]=3 2952 B9R1.110 NC(C(=O)O)C1CCC1 MCULE-3775442501 [0,0,1,1,0,0|0,0,0]=2 2953 B9R1.110 NC(C(=O)O)C1CCC1 MCULE-4685141546 [0,0,1,1,0,0|0,0,0]=2 2954 B9R1.110 NC(C(=O)O)C1COC1 MCULE-1331194239 [0,0,1,1,0,0|1,0,0]=3 2955 B9R1.110 N[C@@H](C(=O)O)C1CCC1 MCULE-2214697836 [0,0,1,1,0,0|0,0,0]=2 2956 B9R1.110 N[C@@H](C(=O)O)C1CCC1 MCULE-7786634114 [0,0,1,1,0,0|0,0,0]=2 2957 B9R1.110 N[C@@H](C(=O)O)C1CCC1 MCULE-8265180180 [0,0,1,1,0,0|0,0,0]=2 2958 B9R1.110 N[C@@H](C(=O)O)C1CCC1 MCULE-9469768507 [0,0,1,1,0,0|0,0,0]=2 2959 B9R1.110 N[C@@H](C(=O)O)C1COC1 MCULE-4389145324 [0,0,1,1,0,0|1,0,0]=3 2960 B9R1.110 N[C@@H](C(=O)O)C1COC1 MCULE-4852474986 [0,0,1,1,0,0|1,0,0]=3 2961 B9R1.110 N[C@H](C(=O)O)C1CCC1 MCULE-4701147798 [0,0,1,1,0,0|0,0,0]=2 2962 B9R1.110 N[C@H](C(=O)O)C1CCC1 MCULE-5196473423 [0,0,1,1,0,0|0,0,0]=2 2963 B9R1.110 N[C@H](C(=O)O)C1CCC1 MCULE-8882106256 [0,0,1,1,0,0|0,0,0]=2 2964 B9R1.110 N[C@H](C(=O)O)C1COC1 MCULE-3016057788 [0,0,1,1,0,0|1,0,0]=3 2965 B9R1.110 N[C@H](C(=O)O)C1COC1 MCULE-8770476335 [0,0,1,1,0,0|1,0,0]=3 2966 B9R1.110 O=C(O)C(=O)C1CCC1 MCULE-3680158952 [0,0,1,1,0,0|1,0,1]=4 2967 B9R1.110 O=C(O)C(Br)C1CCC1 MCULE-4353551170 [0,0,1,1,0,0|1,0,0]=3 2968 B9R1.110 O=C(O)C(F)C1CCC1 MCULE-8989287343 [0,0,1,1,0,0|1,0,0]=3 2969 B9R1.110 O=C(O)C(O)C1CCC1 MCULE-8720651836 [0,0,1,1,0,0|1,0,0]=3 2970 B9R1.110 O=C(O)[C@@H](O)C1CCC1 MCULE-7295025986 [0,0,1,1,0,0|1,0,0]=3 2971 B9R1.110 O=C(O)[C@H](O)C1CCC1 MCULE-7776940136 [0,0,1,1,0,0|1,0,0]=3 2972 B9R1.112 CC(CC1CC1)C(=O)O MCULE-6769587353 [0,0,1,1,0,0|1,0,0]=3 2973 B9R1.112 CC(SC1CC1)C(=O)O MCULE-6918133296 [0,0,1,1,0,0|2,0,0]=4 2974 B9R1.112 C[C@H](NC1CC1)C(=O)O MCULE-2919785082 [0,0,1,1,0,0|2,0,0]=4 2975 B9R1.112 C[C@H](NC1CC1)C(=O)O MCULE-4729598853 [0,0,1,1,0,0|2,0,0]=4 2976 B9R1.112 NC(=O)C(N)CC1CC1 MCULE-3167502244 [0,0,1,1,0,0|1,0,0]=3 2977 B9R1.112 NC(=O)C(N)CC1CC1 MCULE-8140131300 [0,0,1,1,0,0|1,0,0]=3 2978 B9R1.112 NC(=O)[C@@H](N)CC1CC1 MCULE-4142673004 [0,0,1,1,0,0|1,0,0]=3 2979 B9R1.112 NC(=O)[C@@H](N)CC1CC1 MCULE-6535973441 [0,0,1,1,0,0|1,0,0]=3 2980 B9R1.112 NC(CC1CC1)C(=O)O MCULE-2093088646 [0,0,1,1,0,0|0,0,0]=2 2981 B9R1.112 NC(CC1CC1)C(=O)O MCULE-2184599799 [0,0,1,1,0,0|0,0,0]=2 2982 B9R1.112 NC(CC1CC1)C(=O)O MCULE-6147797529 [0,0,1,1,0,0|0,0,0]=2 2983 B9R1.112 N[C@@H](CC1CC1)C(=O)O MCULE-6048291861 [0,0,1,1,0,0|0,0,0]=2 2984 B9R1.112 N[C@@H](CC1CC1)C(=O)O MCULE-9266785362 [0,0,1,1,0,0|0,0,0]=2 2985 B9R1.112 N[C@H](CC1CC1)C(=O)O MCULE-5333410932 [0,0,1,1,0,0|0,0,0]=2 2986 B9R1.112 N[C@H](CC1CC1)C(=O)O MCULE-6150609140 [0,0,1,1,0,0|0,0,0]=2 2987 B9R1.112 O=C(O)C(=O)CC1CC1 MCULE-2914009662 [0,0,1,1,0,0|1,0,1]=4 2988 B9R1.112 O=C(O)C(F)CC1CC1 MCULE-2152276709 [0,0,1,1,0,0|1,0,0]=3 2989 B9R1.112 O=C(O)C(O)CC1CC1 MCULE-7898828154 [0,0,1,1,0,0|1,0,0]=3 2990 B9R1.112 O=C(O)[C@H](O)CC1CC1 MCULE-3864076940 [0,0,1,1,0,0|1,0,0]=3 2991 B9R1.112 O=C(O)[C@H](O)CC1CC1 MCULE-5498784709 [0,0,1,1,0,0|1,0,0]=3 2992 B9R1.38 CC1CC(=O)C(C1)(C)C MCULE-1944517389 [0,0,1,1,0,0|2,0,0]=4 2993 B9R1.165 CC(C)(C(=O)O)C1CC1 MCULE-6388172792 [0,0,1,1,0,0|1,0,0]=3 2994 B9R1.165 CC(N)(C(=O)N)C1CC1 MCULE-9753922744 [0,0,1,1,0,0|1,0,0]=3 2995 B9R1.165 CC(N)(C(=O)O)C1CC1 MCULE-5305811185 [0,0,1,1,0,0|0,0,0]=2 2996 B9R1.165 CC(N)(C(=O)O)C1CC1 MCULE-5428190802 [0,0,1,1,0,0|0,0,0]=2 2997 B9R1.165 CC(O)(C(=O)O)C1CC1 MCULE-4917199167 [0,0,1,1,0,0|1,0,0]=3 2998 B9R1.165 O=C(O)C(F)(F)C1CC1 MCULE-2348785938 [0,0,1,1,0,0|2,0,0]=4 2999 B9R1.179 CCCC1(CC1)C(=O)O MCULE-3737695448 [0,0,1,1,0,0|1,0,0]=3 3000 B9R1.179 CCOC1(CC1)C(=O)O MCULE-2011368943 [0,0,1,1,0,0|2,0,0]=4 3001 B9R1.179 CCSC1(CC1)C(=O)O MCULE-1424616643 [0,0,1,1,0,0|2,0,0]=4 3002 B9R1.179 CNCC1(CC1)C(=O)O MCULE-4156653448 [0,0,1,1,0,0|2,0,0]=4 3003 B9R1.179 CNCC1(CC1)C(=O)O MCULE-7565142951 [0,0,1,1,0,0|2,0,0]=4 3004 B9R1.179 COCC1(CC1)C(=O)O MCULE-8440485105 [0,0,1,1,0,0|2,0,0]=4 3005 B9R1.179 NCCC1(CC1)C(=O)O MCULE-1732909908 [0,0,1,1,0,0|2,0,0]=4 3006 B9R1.179 NCCC1(CC1)C(=O)O MCULE-7079307522 [0,0,1,1,0,0|2,0,0]=4 3007 B9R1.179 O=C(O)C1(CC1)CCCl MCULE-8895296339 [0,0,1,1,0,0|2,0,0]=4 3008 B9R1.179 O=C(O)C1(CC1)CCF MCULE-7598361699 [0,0,1,1,0,0|2,0,0]=4 3009 B9R1.179 O=C(O)C1(CC1)CCO MCULE-4706234979 [0,0,1,1,0,0|2,0,0]=4 3010 B9R1.130 CC[C@]1(C[C@@H]1F)C(=O)O MCULE-7765739144 [0,0,1,1,0,0|2,0,0]=4 3011 B9R1.130 CC[C@]1(C[C@H]1F)C(=O)O MCULE-6558255104 [0,0,1,1,0,0|2,0,0]=4 3012 B9R1.130 CC[C@]1(C[C@H]1F)C(=O)O MCULE-9949603359 [0,0,1,1,0,0|2,0,0]=4 3013 B9R2.7 O=C1CC2C1CNC2 MCULE-7088124346 [1,0,0,1,0,0|2,0,0]=4 3014 B9R2.7 O=C1CC2C1CNC2 MCULE-9132894100 [1,0,0,1,0,0|2,0,0]=4 3015 B9R2.7 O=C1CC2C1NCC2 MCULE-5565431334 [1,0,0,1,0,0|2,0,0]=4 3016 B9R2.7 O=C1CC2C1NCC2 MCULE-8877801710 [1,0,0,1,0,0|2,0,0]=4 3017 B9R2.7 O=C1CC2C1OCC2 MCULE-9845403948 [1,0,0,1,0,0|2,0,0]=4 3018 B9R2.7 O=C1C[C@H]2[C@@H]1OCC2 MCULE-7616272357 [1,0,0,1,0,0|2,0,0]=4 3019 B9R2.7 O=C1NC2C1CCC2 MCULE-4665683392 [1,0,0,1,0,0|1,0,0]=3 3020 B9R2.7 O=C1N[C@@H]2[C@H]1CCC2 MCULE-6354748107 [1,0,0,1,0,0|1,0,0]=3 3021 B9R2.7 [C@@H]12CCO[C@@H]1C(=O)C2 MCULE-8869936364 [1,0,0,1,0,0|2,0,0]=4 3022 B9R2.7 [C@H]12CCC[C@H]1NC2=O MCULE-8553168635 [1,0,0,1,0,0|1,0,0]=3 3023 B9R2.39 BrC1=CC2CCC1C2 MCULE-1542178097 [1,0,0,1,0,0|2,0,0]=4 3024 B9R2.39 C12CNC(C1)C(=O)O2 MCULE-4651135224 [1,0,0,1,0,0|1,0,0]=3 3025 B9R2.39 O=C1CC2CC1CN2 MCULE-1513637451 [1,0,0,1,0,0|2,0,0]=4 3026 B9R2.39 O=C1CC2CC1CN2 MCULE-8245110165 [1,0,0,1,0,0|2,0,0]=4 3027 B9R2.39 O=C1CC2CCC1C2 MCULE-2467634489 [1,0,0,1,0,0|1,0,0]=3 3028 B9R2.39 O=C1CC2CCC1N2 MCULE-2060564396 [1,0,0,1,0,0|2,0,0]=4 3029 B9R2.39 O=C1CC2CCC1N2 MCULE-3298355504 [1,0,0,1,0,0|2,0,0]=4 3030 B9R2.39 O=C1CC2CCC1O2 MCULE-3122768457 [1,0,0,1,0,0|2,0,0]=4 3031 B9R2.39 O=C1CC2CNC1C2 MCULE-1302527504 [1,0,0,1,0,0|2,0,0]=4 3032 B9R2.39 O=C1CC2CNC1C2 MCULE-3367580397 [1,0,0,1,0,0|2,0,0]=4 3033 B9R2.39 O=C1CN2CCC1C2 MCULE-2930167084 [1,0,0,1,0,0|2,0,0]=4 3034 B9R2.39 O=C1CN2CCC1C2 MCULE-6962814008 [1,0,0,1,0,0|2,0,0]=4 3035 B9R2.39 O=C1C[C@@H]2CC[C@H]1C2 MCULE-9992741520 [1,0,0,1,0,0|1,0,0]=3 3036 B9R2.39 O=C1C[C@H]2CC[C@@H]1C2 MCULE-2228698965 [1,0,0,1,0,0|1,0,0]=3 3037 B9R2.39 O=C1NC2CCC1C2 MCULE-2050587567 [1,0,0,1,0,0|1,0,0]=3 3038 B9R2.39 O=C1N[C@@H]2CC[C@H]1C2 MCULE-2601085316 [1,0,0,1,0,0|1,0,0]=3 3039 B9R2.39 O=C1N[C@@H]2CN[C@H]1C2 MCULE-6049411288 [1,0,0,1,0,0|2,0,0]=4 3040 B9R2.39 O=C1N[C@@H]2CN[C@H]1C2 MCULE-7775612507 [1,0,0,1,0,0|2,0,0]=4 3041 B9R2.39 O=C1N[C@H]2CC[C@@H]1C2 MCULE-6863863448 [1,0,0,1,0,0|1,0,0]=3 3042 B9R2.39 O=C1OC2CNC1C2 MCULE-1081203973 [1,0,0,1,0,0|1,0,0]=3 3043 B9R2.39 O=C1OC2CNC1C2 MCULE-4715019258 [1,0,0,1,0,0|1,0,0]=3 3044 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 MCULE-1020161730 [1,0,0,1,0,0|1,0,0]=3 3045 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 MCULE-3837738406 [1,0,0,1,0,0|1,0,0]=3 3046 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 MCULE-6980885310 [1,0,0,1,0,0|1,0,0]=3 3047 B9R2.39 OC1CC2CCC1C2 MCULE-6414891759 [1,0,0,1,0,0|1,0,1]=4 3048 B9R2.39 OC1C[C@@H]2CC[C@H]1C2 MCULE-9639323400 [1,0,0,1,0,0|1,0,1]=4 3049 B9R2.39 O[C@@H]1C[C@@H]2CC[C@H]1C2 MCULE-4979276205 [1,0,0,1,0,0|1,0,1]=4 3050 B9R2.39 O[C@@H]1C[C@H]2CC[C@@H]1C2 MCULE-6071426979 [1,0,0,1,0,0|1,0,1]=4 3051 B9R2.39 [C@@H]1(C[C@@H]2CC[C@H]1C2)O MCULE-6218681459 [1,0,0,1,0,0|1,0,1]=4 3052 B9R2.39 [C@@H]12C=C([C@@H](C1)CC2)Br MCULE-1979441209 [1,0,0,1,0,0|2,0,0]=4 3053 B9R2.39 [C@@H]12C=C([C@@H](C1)CC2)C MCULE-9983936985 [1,0,0,1,0,0|2,0,0]=4 3054 B9R2.39 [C@@H]12CN[C@@H](C1)C(=O)O2 MCULE-4857421267 [1,0,0,1,0,0|1,0,0]=3 3055 B9R2.39 [C@@H]12CN[C@@H](C1)C(=O)O2 MCULE-5314520254 [1,0,0,1,0,0|1,0,0]=3 3056 B9R2.39 [C@@H]12CN[C@@H](C1)C(=O)O2 MCULE-8592680797 [1,0,0,1,0,0|1,0,0]=3 3057 B9R2.39 [C@H]12CCN(C1)CC2=O MCULE-4642920839 [1,0,0,1,0,0|2,0,0]=4 3058 B9R2.39 [C@H]12CC[C@H](C1)C(=O)N2 MCULE-3838940137 [1,0,0,1,0,0|1,0,0]=3 3059 B9R2.39 [C@H]12CC[C@H](C1)CC2=O MCULE-1488894938 [1,0,0,1,0,0|1,0,0]=3 3060 B9R2.39 [C@H]12CC[C@H](C1)CC2O MCULE-7175651186 [1,0,0,1,0,0|1,0,1]=4 3061 B9R2.39 [C@H]12CC[C@H](C1)[C@@H](C2)O MCULE-4118507960 [1,0,0,1,0,0|1,0,1]=4 3062 B9R2.39 [C@H]12CC[C@H](C1)[C@@H](C2)O MCULE-9141970579 [1,0,0,1,0,0|1,0,1]=4 3063 B9R2.39 [C@H]12CC[C@H](C1)[C@H](C2)O MCULE-4746309717 [1,0,0,1,0,0|1,0,1]=4 3064 B9R2.39 [C@H]12CC[C@H](C1)[C@H](C2)O MCULE-5454625797 [1,0,0,1,0,0|1,0,1]=4 3065 B9R2.148 O=C(O)C1C2C1CC2 MCULE-2273094599 [1,0,0,1,0,0|0,0,0]=2 3066 B9R2.148 O=C(O)C1C2C1NC2 MCULE-5026622210 [1,0,0,1,0,0|1,0,0]=3 3067 B9R2.61 OCC12CCC(C1)C2 MCULE-9561970787 [1,0,0,1,0,0|1,0,1]=4 3068 B9R2.110 NC12CCC(C1)CC2 MCULE-2150882814 [1,0,0,1,0,0|1,0,1]=4 3069 B9R2.110 NC12CCC(C1)CC2 MCULE-3949026685 [1,0,0,1,0,0|1,0,1]=4 3070 B9R2.173 C1CCC2(C1)CCN2 MCULE-1090935645 [1,0,0,1,0,0|1,0,1]=4 3071 B9R2.173 C1CCC2(C1)CCN2 MCULE-4332970866 [1,0,0,1,0,0|1,0,1]=4 3072 B9R2.140 O=C1CCC12CCC2 MCULE-3558542285 [0,0,0,1,1,0|2,0,0]=4 3073 B9R2.140 O=C1COC12CCC2 MCULE-7119377731 [0,0,0,1,1,0|2,0,0]=4 3074 B9R2.140 O=C1NCC12CCC2 MCULE-9964635912 [0,0,0,1,1,0|2,0,0]=4 3075 B9R2.145 CC(=O)C12CC(C1)C2 MCULE-4306075078 [0,0,0,1,1,0|2,0,0]=4 3076 B9R2.145 NC(=O)C12CC(C1)C2 MCULE-6296637670 [0,0,0,1,1,0|2,0,0]=4 3077 B9R2.145 O=C(O)C12CC(C1)C2 MCULE-3144378973 [0,0,0,1,1,0|1,0,0]=3 3078 B11R2.12 O=C1CCC12CCCCC2 MCULE-1472740479 [0,0,0,1,0,1|2,0,0]=4 3079 B11R2.12 O=C1CCC12CCOCC2 MCULE-4099337255 [0,0,0,1,0,1|2,0,0]=4 3080 B11R2.12 O=C1COC12CCCCC2 MCULE-3670246496 [0,0,0,1,0,1|2,0,0]=4 3081 B11R2.12 O=C1NCC12CCCNC2 MCULE-2309975536 [0,0,0,1,0,1|2,0,0]=4 3082 B11R2.12 O=C1NCC12CCCNC2 MCULE-4056738652 [0,0,0,1,0,1|2,0,0]=4 3083 B11R2.12 O=C1NCC12CCNCC2 MCULE-6987871994 [0,0,0,1,0,1|2,0,0]=4 3084 B11R2.12 O=C1NCC12CCNCC2 MCULE-9042821296 [0,0,0,1,0,1|2,0,0]=4 3085 B11R2.12 O=C1NC[C@@]12CCCNC2 MCULE-3023321228 [0,0,0,1,0,1|2,0,0]=4 3086 B11R2.679 CC12CCC(CC1)OC2=O MCULE-5263749123 [0,0,0,1,0,1|1,0,0]=3 3087 B11R2.813 CC(=O)C12CCCCC1C2 MCULE-6704773068 [0,0,0,1,0,1|2,0,0]=4 3088 B11R2.813 O=C(O)C12CC1CCCN2 MCULE-4247938910 [0,0,0,1,0,1|1,0,0]=3 3089 B11R2.813 O=C(O)C12CC1CCCN2 MCULE-4913986428 [0,0,0,1,0,1|1,0,0]=3 3090 B11R2.813 O=C(O)C12CCCCC1C2 MCULE-8164847486 [0,0,0,1,0,1|1,0,0]=3 3091 B11R2.813 O=C(O)C12CCNCC1C2 MCULE-1960768540 [0,0,0,1,0,1|1,0,0]=3 3092 B11R2.813 O=C(O)C12CCNCC1C2 MCULE-9023292994 [0,0,0,1,0,1|1,0,0]=3 3093 B11R2.813 O=C(O)C12CNCCC1C2 MCULE-3253248385 [0,0,0,1,0,1|1,0,0]=3 3094 B11R2.813 O=C(O)C12CNCCC1C2 MCULE-4328236690 [0,0,0,1,0,1|1,0,0]=3 3095 B11R2.1826 NC(=O)C12CCCC(C1)C2 MCULE-5396207551 [0,0,0,1,0,1|2,0,0]=4 3096 B11R2.1826 O=C(O)C12CC(C1)CCN2 MCULE-2027717821 [0,0,0,1,0,1|1,0,0]=3 3097 B11R2.1826 O=C(O)C12CC(C1)CCN2 MCULE-3937212667 [0,0,0,1,0,1|1,0,0]=3 3098 B11R2.1826 O=C(O)C12CCCC(C1)C2 MCULE-1931429837 [0,0,0,1,0,1|1,0,0]=3 3099 B11R2.1826 O=C(O)C12CNCC(C1)C2 MCULE-1943461113 [0,0,0,1,0,1|1,0,0]=3 3100 B11R2.1826 O=C(O)C12CNCC(C1)C2 MCULE-5658280461 [0,0,0,1,0,1|1,0,0]=3 3101 B11R2.1839 NC(=O)C12CCC(C1)CC2 MCULE-2431830147 [0,0,0,1,0,1|2,0,0]=4 3102 B11R2.1839 NC(=O)C12CCC(N1)CC2 MCULE-9139917072 [0,0,0,1,0,1|1,0,0]=3 3103 B11R2.1839 NC(=O)C12CCN(C1)CC2 MCULE-8813612154 [0,0,0,1,0,1|2,0,0]=4 3104 B11R2.1839 NC(=O)C12CCN(C1)CC2 MCULE-9070110707 [0,0,0,1,0,1|2,0,0]=4 3105 B11R2.1839 O=C(O)C12C=CC(C1)CC2 MCULE-4960669059 [0,0,0,1,0,1|1,0,1]=4 3106 B11R2.1839 O=C(O)C12CCC(C1)CC2 MCULE-6630732907 [0,0,0,1,0,1|1,0,0]=3 3107 B11R2.1839 O=C(O)C12CCC(C1)CN2 MCULE-5678506531 [0,0,0,1,0,1|1,0,0]=3 3108 B11R2.1839 O=C(O)C12CCC(C1)CN2 MCULE-7284735604 [0,0,0,1,0,1|1,0,0]=3 3109 B11R2.1839 O=C(O)C12CCC(N1)CC2 MCULE-3118230770 [0,0,0,1,0,1|0,0,0]=2 3110 B11R2.1839 O=C(O)C12CCC(N1)CC2 MCULE-9332995177 [0,0,0,1,0,1|0,0,0]=2 3111 B11R2.1839 O=C(O)C12CCC(O1)CC2 MCULE-3125021989 [0,0,0,1,0,1|1,0,0]=3 3112 B11R2.1839 O=C(O)C12CCN(C1)CC2 MCULE-3565766296 [0,0,0,1,0,1|1,0,0]=3 3113 B11R2.1839 O=C(O)C12CCN(C1)CC2 MCULE-9794392710 [0,0,0,1,0,1|1,0,0]=3 3114 B11R2.1839 [C@@H]12CCC(C1)(CN2)C(=O)O MCULE-4354063940 [0,0,0,1,0,1|1,0,0]=3 3115 B11R2.1839 [C@@H]12CCC(C1)(CN2)C(=O)O MCULE-8094375931 [0,0,0,1,0,1|1,0,0]=3 3116 B11R2.1839 [C@H]12CCC(C1)(CN2)C(=O)O MCULE-1269384340 [0,0,0,1,0,1|1,0,0]=3 3117 B11R2.1839 [C@H]12CCC(C1)(CN2)C(=O)O MCULE-9709707983 [0,0,0,1,0,1|1,0,0]=3 3118 B11R2.1850 CC1(CC2CC2C1)C(=O)O MCULE-5006077474 [0,0,0,1,0,1|1,0,0]=3 3119 B11R2.141 O=C(O)C1CC12CCCC2 MCULE-6285352175 [0,0,0,1,0,1|1,0,0]=3 3120 B11R2.141 O=C(O)C1CC12CCNC2 MCULE-2677072658 [0,0,0,1,0,1|2,0,0]=4 3121 B11R2.141 O=C(O)C1CC12CCNC2 MCULE-5736595675 [0,0,0,1,0,1|2,0,0]=4 3122 B11R2.141 O=C(O)C1CC12CCOC2 MCULE-7542505431 [0,0,0,1,0,1|2,0,0]=4 3123 B11R2.141 O=C([O-])C1OC12CCCC2 MCULE-8368817721 [0,0,0,1,0,1|1,0,1]=4 3124 B11R2.141 O=C([O-])C1OC12CCCC2 MCULE-8669748315 [0,0,0,1,0,1|1,0,1]=4 3125 B11R2.748 O=C1C=CC2(C1)CCCC2 MCULE-2008590535 [0,0,0,1,0,1|2,0,0]=4 3126 B11R2.748 O=C1CC2(CCCC2)CN1 MCULE-6242340172 [0,0,0,1,0,1|2,0,0]=4 3127 B11R2.748 O=C1CCC2(C1)CCCC2 MCULE-3408143164 [0,0,0,1,0,1|2,0,0]=4 3128 B11R2.748 O=C1COC2(C1)CCCC2 MCULE-7817661622 [0,0,0,1,0,1|2,0,0]=4 3129 B11R2.748 O=C1CSC2(N1)CCCC2 MCULE-8617766460 [0,0,0,1,0,1|2,0,0]=4 3130 B11R2.748 O=C1NC2(CCCC2)CO1 MCULE-5504605812 [0,0,0,1,0,1|1,0,0]=3 3131 B11R2.748 O=C1NC2(CCNC2)CO1 MCULE-6767046274 [0,0,0,1,0,1|2,0,0]=4 3132 B11R2.748 O=C1NC2(CCNC2)CO1 MCULE-8705349455 [0,0,0,1,0,1|2,0,0]=4 3133 B11R2.748 O=C1NCC2(O1)CCCC2 MCULE-5920595343 [0,0,0,1,0,1|2,0,0]=4 3134 B11R2.576 [C@@H]12CN[C@@](C1)([C@@H]2C)C(=O)O MCULE-1127629056 [0,1,0,1,0,0|2,0,0]=4 3135 B11R2.576 [C@@H]12CN[C@@](C1)([C@@H]2C)C(=O)O MCULE-4290916659 [0,1,0,1,0,0|2,0,0]=4 3136 B11R2.819 O=C(O)C12CCC1CNC2 MCULE-5440576235 [0,1,0,1,0,0|2,0,0]=4 3137 B11R2.819 O=C(O)C12CCC1CNC2 MCULE-7903679300 [0,1,0,1,0,0|2,0,0]=4 3138 B11R2.3 O=C1CCCC12CCCC2 MCULE-3185184224 [0,1,0,1,0,0|2,0,0]=4 3139 B11R2.3 O=C1CCOC12CCCC2 MCULE-8169925589 [0,1,0,1,0,0|2,0,0]=4 3140 B11R2.3 O=C1NCCC12CCCC2 MCULE-4294140674 [0,1,0,1,0,0|2,0,0]=4 3141 B11R2.3 O=C1OCCC12CCCN2 MCULE-6180378660 [0,1,0,1,0,0|2,0,0]=4 3142 B11R2.3 O=C1OCCC12CCCN2 MCULE-8136172928 [0,1,0,1,0,0|2,0,0]=4 3143 B11R2.3 O=C1OCCC12CCNC2 MCULE-1042332859 [0,1,0,1,0,0|2,0,0]=4 3144 B11R2.3 O=C1OCCC12CCNC2 MCULE-6984072705 [0,1,0,1,0,0|2,0,0]=4 3145 B11R2.3 OC1CCNC12CCCC2 MCULE-9409590659 [0,1,0,1,0,0|1,0,1]=4 3146 B11R2.895 COC(=O)C12CC1CCN2 MCULE-2288179679 [0,1,0,1,0,0|2,0,0]=4 3147 B11R2.895 COC(=O)C12CC1CCN2 MCULE-6363503111 [0,1,0,1,0,0|2,0,0]=4 3148 B11R2.895 COC(=O)C12CNCC1C2 MCULE-6203019351 [0,1,0,1,0,0|2,0,0]=4 3149 B11R2.895 COC(=O)C12CNCC1C2 MCULE-8537344219 [0,1,0,1,0,0|2,0,0]=4 3150 B11R2.895 COC(=O)[C@]12CC1CCN2 MCULE-4746558280 [0,1,0,1,0,0|2,0,0]=4 3151 B11R2.895 COC(=O)[C@]12C[C@H]1CCN2 MCULE-5638691203 [0,1,0,1,0,0|2,0,0]=4 3152 B11R2.895 [C@@H]12CCN[C@@]1(C2)C(=O)OC MCULE-1104693029 [0,1,0,1,0,0|2,0,0]=4 3153 B11R2.901 COC(=O)C12CC(C1)CN2 MCULE-3579167897 [0,1,0,1,0,0|2,0,0]=4 3154 B11R2.901 COC(=O)C12CC(C1)CN2 MCULE-8134587320 [0,1,0,1,0,0|2,0,0]=4 3155 B11R2.901 COC(=O)C12COC(C1)C2 MCULE-6245463350 [0,1,0,1,0,0|2,0,0]=4 3156 B11R2.411 N[C@@H]1C[C@H]2C[C@]2(C1)C(=O)O MCULE-2111082325 [0,1,0,1,0,0|1,0,0]=3 3157 B11R2.411 N[C@@H]1C[C@H]2C[C@]2(C1)C(=O)O MCULE-4355305095 [0,1,0,1,0,0|1,0,0]=3 3158 B11R2.2454 CC12CC(C1)(CO2)C(=O)O MCULE-9388225975 [0,1,0,1,0,0|2,0,0]=4 3159 B11R2.2454 CC12CNC(C1)(C2)C(=O)O MCULE-4173417458 [0,1,0,1,0,0|2,0,0]=4 3160 B11R2.2454 CC12CNC(C1)(C2)C(=O)O MCULE-6288913019 [0,1,0,1,0,0|2,0,0]=4 3161 B11R2.2454 CC12COC(C1)(C2)C(=O)O MCULE-1758963057 [0,1,0,1,0,0|2,0,0]=4 3162 B11R2.2454 CC12COC(C1)(C2)C(=O)O MCULE-5169487794 [0,1,0,1,0,0|2,0,0]=4 3163 B11R2.2454 NC12CCC(C1)(C2)C(=O)O MCULE-4415557284 [0,1,0,1,0,0|1,0,0]=3 3164 B11R2.2454 O=C(O)C12CC(C1)(CN2)F MCULE-7172506799 [0,1,0,1,0,0|2,0,0]=4 3165 B11R2.2454 O=C(O)C12CC(C1)(CN2)F MCULE-8868717417 [0,1,0,1,0,0|2,0,0]=4 3166 B11R2.2454 O=C(O)C12CCC(C1)(C2)F MCULE-8953867117 [0,1,0,1,0,0|1,0,0]=3 3167 B11R2.222 CCC12CCC(C1)CC2=O MCULE-1534160585 [0,1,0,1,0,0|2,0,0]=4 3168 B7R1.18 C1(CCN1)C(=O)O MCULE-9324355017 [1,0,0,0,1,0|1,0,0]=3 3169 B7R1.18 CC(=O)C1CCC1 MCULE-5770046789 [1,0,0,0,1,0|1,0,0]=3 3170 B7R1.18 CC(=O)C1CNC1 MCULE-2354733934 [1,0,0,0,1,0|2,0,0]=4 3171 B7R1.18 CC(=O)C1CNC1 MCULE-3110609785 [1,0,0,0,1,0|2,0,0]=4 3172 B7R1.18 CC(=O)C1CNC1 MCULE-4112322251 [1,0,0,0,1,0|2,0,0]=4 3173 B7R1.18 CC(=O)C1COC1 MCULE-3416774210 [1,0,0,0,1,0|2,0,0]=4 3174 B7R1.18 CC(=O)N1CCC1 MCULE-6467100562 [1,0,0,0,1,0|2,0,0]=4 3175 B7R1.18 CC(O)C1CCC1 MCULE-7846963519 [1,0,0,0,1,0|1,0,1]=4 3176 B7R1.18 C[C@@H](O)C1CCC1 MCULE-6990873960 [1,0,0,0,1,0|1,0,1]=4 3177 B7R1.18 C[C@H](O)C1CCC1 MCULE-5072123772 [1,0,0,0,1,0|1,0,1]=4 3178 B7R1.18 C[C@H](O)C1CCC1 MCULE-6701623925 [1,0,0,0,1,0|1,0,1]=4 3179 B7R1.18 N=C(N)C1CCC1 MCULE-3470535674 [1,0,0,0,1,0|2,0,0]=4 3180 B7R1.18 N=C(N)C1CCC1 MCULE-4802517706 [1,0,0,0,1,0|2,0,0]=4 3181 B7R1.18 N=C(N)C1CCC1 MCULE-5858986439 [1,0,0,0,1,0|2,0,0]=4 3182 B7R1.18 NC(=O)C1CCC1 MCULE-5151176129 [1,0,0,0,1,0|1,0,0]=3 3183 B7R1.18 NC(=O)C1CCN1 MCULE-1856696035 [1,0,0,0,1,0|2,0,0]=4 3184 B7R1.18 NC(=O)C1CCN1 MCULE-5757704016 [1,0,0,0,1,0|2,0,0]=4 3185 B7R1.18 NC(=O)C1CNC1 MCULE-2319282799 [1,0,0,0,1,0|2,0,0]=4 3186 B7R1.18 NC(=O)C1CNC1 MCULE-4985073048 [1,0,0,0,1,0|2,0,0]=4 3187 B7R1.18 NC(=O)C1CNC1 MCULE-8796959516 [1,0,0,0,1,0|2,0,0]=4 3188 B7R1.18 NC(=O)C1COC1 MCULE-1077689713 [1,0,0,0,1,0|2,0,0]=4 3189 B7R1.18 NC(=O)N1CCC1 MCULE-1594728830 [1,0,0,0,1,0|2,0,0]=4 3190 B7R1.18 NC(=O)[C@H]1CCN1 MCULE-7187425143 [1,0,0,0,1,0|2,0,0]=4 3191 B7R1.18 NC(=S)C1CCC1 MCULE-9753547991 [1,0,0,0,1,0|1,1,0]=4 3192 B7R1.18 O=C(Cl)C1CCC1 MCULE-2155859428 [1,0,0,0,1,0|1,0,0]=3 3193 B7R1.18 O=C(Cl)N1CCC1 MCULE-8313088104 [1,0,0,0,1,0|2,0,0]=4 3194 B7R1.18 O=C(O)C1=CCC1 MCULE-4244912351 [1,0,0,0,1,0|0,0,2]=4 3195 B7R1.18 O=C(O)C1CCC1 MCULE-2498509888 [1,0,0,0,1,0|0,0,0]=2 3196 B7R1.18 O=C(O)C1CCN1 MCULE-1336085891 [1,0,0,0,1,0|1,0,0]=3 3197 B7R1.18 O=C(O)C1CCN1 MCULE-6501890131 [1,0,0,0,1,0|1,0,0]=3 3198 B7R1.18 O=C(O)C1CCN1 MCULE-7647115314 [1,0,0,0,1,0|1,0,0]=3 3199 B7R1.18 O=C(O)C1CCO1 MCULE-6065911736 [1,0,0,0,1,0|1,0,0]=3 3200 B7R1.18 O=C(O)C1CCO1 MCULE-9296370119 [1,0,0,0,1,0|1,0,0]=3 3201 B7R1.18 O=C(O)C1CNC1 MCULE-2350328355 [1,0,0,0,1,0|1,0,0]=3 3202 B7R1.18 O=C(O)C1CNC1 MCULE-7890374869 [1,0,0,0,1,0|1,0,0]=3 3203 B7R1.18 O=C(O)C1COC1 MCULE-2530431165 [1,0,0,0,1,0|1,0,0]=3 3204 B7R1.18 O=C(O)C1CSC1 MCULE-4019152056 [1,0,0,0,1,0|1,0,0]=3 3205 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-2126306157 [1,0,0,0,1,0|1,0,0]=3 3206 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-2597576629 [1,0,0,0,1,0|1,0,0]=3 3207 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-6006656004 [1,0,0,0,1,0|1,0,0]=3 3208 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-7241612713 [1,0,0,0,1,0|1,0,0]=3 3209 B7R1.18 O=C(O)[C@@H]1CCO1 MCULE-5117442811 [1,0,0,0,1,0|1,0,0]=3 3210 B7R1.18 O=C(O)[C@@H]1CCO1 MCULE-8116248615 [1,0,0,0,1,0|1,0,0]=3 3211 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-3254184046 [1,0,0,0,1,0|1,0,0]=3 3212 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-5162570273 [1,0,0,0,1,0|1,0,0]=3 3213 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-5488052558 [1,0,0,0,1,0|1,0,0]=3 3214 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-8240936495 [1,0,0,0,1,0|1,0,0]=3 3215 B7R1.18 O=C(O)[C@H]1CCO1 MCULE-5499247834 [1,0,0,0,1,0|1,0,0]=3 3216 B7R1.18 O=C(O)[C@H]1CCO1 MCULE-7468207073 [1,0,0,0,1,0|1,0,0]=3 3217 B7R1.18 O=N(=O)C1CCC1 MCULE-1263563910 [1,0,0,0,1,0|1,0,1]=4 3218 B7R1.18 O=S([O-])C1CCC1 MCULE-2181260614 [1,0,0,0,1,0|1,0,1]=4 3219 B7R1.18 O=S([O-])C1CCC1 MCULE-5691798035 [1,0,0,0,1,0|1,0,1]=4 3220 B7R1.18 OB(O)C1CCC1 MCULE-3574521261 [1,0,0,0,1,0|1,0,1]=4 3221 B7R1.25 C#CC1(CCC1)N MCULE-5371030411 [1,0,0,0,1,0|1,0,1]=4 3222 B7R1.25 C#CC1(CCC1)N MCULE-7138087833 [1,0,0,0,1,0|1,0,1]=4 3223 B7R1.25 C=CC1(COC1)N MCULE-1446171155 [1,0,0,0,1,0|2,0,0]=4 3224 B7R1.25 C=CC1(COC1)N MCULE-2444826926 [1,0,0,0,1,0|2,0,0]=4 3225 B7R1.25 CC1(CCC1)C=O MCULE-9513047998 [1,0,0,0,1,0|1,0,0]=3 3226 B7R1.25 CC1(CCC1)CO MCULE-9646690839 [1,0,0,0,1,0|1,0,1]=4 3227 B7R1.25 CC1(COC1)C=O MCULE-4295634366 [1,0,0,0,1,0|2,0,0]=4 3228 B7R1.25 CC1(CSC1)C=O MCULE-8783002976 [1,0,0,0,1,0|2,0,0]=4 3229 B7R1.25 CCC1(CCC1)N MCULE-5053916607 [1,0,0,0,1,0|1,0,1]=4 3230 B7R1.25 CCC1(CCC1)N MCULE-5413278315 [1,0,0,0,1,0|1,0,1]=4 3231 B7R1.25 N#CC1(CCC1)N MCULE-5265286874 [1,0,0,0,1,0|1,0,1]=4 3232 B7R1.25 N#CC1(CCC1)N MCULE-9294868612 [1,0,0,0,1,0|1,0,1]=4 3233 B7R1.25 NC1(CCC1)CF MCULE-1820863854 [1,0,0,0,1,0|1,0,1]=4 3234 B7R1.25 NC1(CCC1)CF MCULE-4073039809 [1,0,0,0,1,0|1,0,1]=4 3235 B7R1.25 NC1(CCC1)CO MCULE-3303213714 [1,0,0,0,1,0|0,0,1]=3 3236 B7R1.25 NC1(CCC1)CO MCULE-7230626576 [1,0,0,0,1,0|0,0,1]=3 3237 B7R1.25 NC1(COC1)CO MCULE-5347414182 [1,0,0,0,1,0|1,0,1]=4 3238 B7R1.25 NCC1(CCC1)N MCULE-4976713787 [1,0,0,0,1,0|1,0,1]=4 3239 B7R1.25 NCC1(CCC1)N MCULE-8019875303 [1,0,0,0,1,0|1,0,1]=4 3240 B7R1.25 O=CC1(CCC1)F MCULE-8878080032 [1,0,0,0,1,0|1,0,0]=3 3241 B7R1.25 OCC1(CCC1)F MCULE-5944864184 [1,0,0,0,1,0|1,0,1]=4 3242 B7R1.25 OCC1(CCC1)O MCULE-2830358505 [1,0,0,0,1,0|1,0,1]=4 3243 B7R1.19 CC(=O)C1(CC1)Br MCULE-6185731473 [0,0,0,0,2,0|2,0,0]=4 3244 B7R1.19 CC(=O)C1(CC1)C MCULE-8745387740 [0,0,0,0,2,0|2,0,0]=4 3245 B7R1.19 CC(=O)C1(CC1)Cl MCULE-5975776904 [0,0,0,0,2,0|2,0,0]=4 3246 B7R1.19 CC(=O)C1(CC1)F MCULE-5848997919 [0,0,0,0,2,0|2,0,0]=4 3247 B7R1.19 CC(=O)C1(CC1)N MCULE-2138315633 [0,0,0,0,2,0|1,0,0]=3 3248 B7R1.19 CC(=O)C1(CC1)N MCULE-4094057841 [0,0,0,0,2,0|1,0,0]=3 3249 B7R1.19 CC(O)C1(CC1)N MCULE-7865299177 [0,0,0,0,2,0|1,0,1]=4 3250 B7R1.19 CC1(CC1)C(=O)Cl MCULE-6881294103 [0,0,0,0,2,0|2,0,0]=4 3251 B7R1.19 CC1(CC1)C(=O)N MCULE-7674282751 [0,0,0,0,2,0|2,0,0]=4 3252 B7R1.19 CC1(CC1)C(=O)O MCULE-6220717648 [0,0,0,0,2,0|1,0,0]=3 3253 B7R1.19 CC1(CO1)C(=O)O MCULE-9344660544 [0,0,0,0,2,0|2,0,0]=4 3254 B7R1.19 NC(=O)C1(CC1)Br MCULE-5824122510 [0,0,0,0,2,0|2,0,0]=4 3255 B7R1.19 NC(=O)C1(CC1)N MCULE-3982594366 [0,0,0,0,2,0|1,0,0]=3 3256 B7R1.19 NC(=O)C1(CC1)N MCULE-7935338610 [0,0,0,0,2,0|1,0,0]=3 3257 B7R1.19 NC(=O)C1(CC1)O MCULE-6542611632 [0,0,0,0,2,0|2,0,0]=4 3258 B7R1.19 NC1(CC1)C(=O)Cl MCULE-1901749245 [0,0,0,0,2,0|1,0,0]=3 3259 B7R1.19 NC1(CC1)C(=O)Cl MCULE-4354269723 [0,0,0,0,2,0|1,0,0]=3 3260 B7R1.19 NC1(CC1)C(=O)O MCULE-8718774934 [0,0,0,0,2,0|0,0,0]=2 3261 B7R1.19 NC1(CC1)C(=O)O MCULE-8788149299 [0,0,0,0,2,0|0,0,0]=2 3262 B7R1.19 O=C(O)C1(CC1)Br MCULE-9862099846 [0,0,0,0,2,0|1,0,0]=3 3263 B7R1.19 O=C(O)C1(CC1)Cl MCULE-9183003328 [0,0,0,0,2,0|1,0,0]=3 3264 B7R1.19 O=C(O)C1(CC1)F MCULE-1230430743 [0,0,0,0,2,0|1,0,0]=3 3265 B7R1.19 O=C(O)C1(CC1)I MCULE-7977320561 [0,0,0,0,2,0|1,0,0]=3 3266 B7R1.19 O=C(O)C1(CC1)O MCULE-7923609070 [0,0,0,0,2,0|1,0,0]=3 3267 B9R0.4 C=CCCC(N)CC(=O)O MCULE-1616151020 [0,0,1,0,0,1|0,0,2]=4 3268 B9R0.4 C=CCCC(N)CC(=O)O MCULE-6121434138 [0,0,1,0,0,1|0,0,2]=4 3269 B9R0.4 CCCCC(C)CC(=O)O MCULE-1674327007 [0,0,1,0,0,1|1,0,0]=3 3270 B9R0.4 CCCCC(C)OC(=O)Cl MCULE-3267128498 [0,0,1,0,0,1|2,0,0]=4 3271 B9R0.4 CCCCC(N)CC(=O)O MCULE-4002800812 [0,0,1,0,0,1|0,0,0]=2 3272 B9R0.4 CCCCC(N)CC(=O)O MCULE-8705314129 [0,0,1,0,0,1|0,0,0]=2 3273 B9R0.4 CCCCC(O)CC(=O)O MCULE-6348296633 [0,0,1,0,0,1|1,0,0]=3 3274 B9R0.4 CCCC[C@@H](N)CC(=O)O MCULE-8271790861 [0,0,1,0,0,1|0,0,0]=2 3275 B9R0.4 CCCC[C@H](C)CC(=O)O MCULE-2048808547 [0,0,1,0,0,1|1,0,0]=3 3276 B9R0.4 CCCC[C@H](N)CC(=O)O MCULE-1387096023 [0,0,1,0,0,1|0,0,0]=2 3277 B9R0.4 CSCCC(N)CC(=O)O MCULE-1046928513 [0,0,1,0,0,1|1,0,0]=3 3278 B9R0.4 CSCCC(N)CC(=O)O MCULE-8979030814 [0,0,1,0,0,1|1,0,0]=3 3279 B9R0.4 CSCCC(O)CC(=O)O MCULE-8328222292 [0,0,1,0,0,1|2,0,0]=4 3280 B9R0.4 CSCC[C@@H](N)CC(=O)O MCULE-2765615228 [0,0,1,0,0,1|1,0,0]=3 3281 B9R0.4 CSCC[C@@H](N)CC(=O)O MCULE-5262188114 [0,0,1,0,0,1|1,0,0]=3 3282 B9R0.4 CSCC[C@@H](N)CC(=O)O MCULE-7951099593 [0,0,1,0,0,1|1,0,0]=3 3283 B9R0.4 CSCC[C@@H](N)CC(=O)O MCULE-9117868798 [0,0,1,0,0,1|1,0,0]=3 3284 B9R0.4 CSCC[C@H](N)CC(=O)O MCULE-1875547228 [0,0,1,0,0,1|1,0,0]=3 3285 B9R0.4 CSCC[C@H](N)CC(=O)O MCULE-2149586027 [0,0,1,0,0,1|1,0,0]=3 3286 B9R0.4 CSCC[C@H](N)CC(=O)O MCULE-2492945888 [0,0,1,0,0,1|1,0,0]=3 3287 B9R0.4 CSCC[C@H](N)CC(=O)O MCULE-3229832789 [0,0,1,0,0,1|1,0,0]=3 3288 B9R0.4 NCCCC(N)CC(=O)O MCULE-3705980324 [0,0,1,0,0,1|1,0,0]=3 3289 B9R0.4 NCCCC(N)CC(=O)O MCULE-5566899547 [0,0,1,0,0,1|1,0,0]=3 3290 B9R0.4 NCCC[C@@H](N)CC(=O)O MCULE-3425525065 [0,0,1,0,0,1|1,0,0]=3 3291 B9R0.4 NCCC[C@H](N)CC(=O)O MCULE-2321041121 [0,0,1,0,0,1|1,0,0]=3 3292 B9R0.4 NCCC[C@H](N)CC(=O)O MCULE-6552199637 [0,0,1,0,0,1|1,0,0]=3 3293 B9R0.58 CC(O)(CCO)CC(=O)O MCULE-1728546222 [0,0,1,0,0,1|2,0,0]=4 3294 B9R0.58 CCCC(C)(C)CC(=O)O MCULE-3472003458 [0,0,1,0,0,1|1,0,0]=3 3295 B9R0.58 CCCC(C)(O)CC(=O)O MCULE-7082436494 [0,0,1,0,0,1|1,0,0]=3 3296 B9R0.58 CNCC(C)(C)CC(=O)O MCULE-9673126610 [0,0,1,0,0,1|2,0,0]=4 3297 B9R0.58 COCC(C)(C)CC(=O)O MCULE-3020905492 [0,0,1,0,0,1|2,0,0]=4 3298 B9R0.58 C[C@](O)(CCO)CC(=O)O MCULE-1986337120 [0,0,1,0,0,1|2,0,0]=4 3299 B9R0.58 C[C@](O)(CCO)CC(=O)O MCULE-8476600793 [0,0,1,0,0,1|2,0,0]=4 3300 B9R0.63 CCC(C)(CC)OC(=O)N MCULE-7485099295 [0,0,1,0,0,1|2,0,0]=4 3301 B9R1.13 C1(CCCN1)CC(=O)O MCULE-3743402418 [1,0,0,0,0,1|1,0,0]=3 3302 B9R1.13 C1(CCCN1)CC(=O)O MCULE-9966702869 [1,0,0,0,0,1|1,0,0]=3 3303 B9R1.13 C1(CCNC1)CC(=O)O MCULE-7279534621 [1,0,0,0,0,1|1,0,0]=3 3304 B9R1.13 C1(CCNC1)NC(=O)C MCULE-3187971747 [1,0,0,0,0,1|2,0,0]=4 3305 B9R1.13 C1(CCNC1)NC(=O)C MCULE-5477008391 [1,0,0,0,0,1|2,0,0]=4 3306 B9R1.13 CC(=O)C=C1CCCC1 MCULE-1647139252 [1,0,0,0,0,1|1,0,1]=4 3307 B9R1.13 CC(=O)CC1CCCC1 MCULE-5830536761 [1,0,0,0,0,1|1,0,0]=3 3308 B9R1.13 CC(=O)CC1CCCO1 MCULE-7012539509 [1,0,0,0,0,1|2,0,0]=4 3309 B9R1.13 CC(=O)CC1CCOC1 MCULE-2391008206 [1,0,0,0,0,1|2,0,0]=4 3310 B9R1.13 CC(=O)CN1CCCC1 MCULE-7257105125 [1,0,0,0,0,1|2,0,0]=4 3311 B9R1.13 CC(=O)NC1CCCC1 MCULE-5984597819 [1,0,0,0,0,1|1,0,0]=3 3312 B9R1.13 CC(=O)NC1CCNC1 MCULE-7740912446 [1,0,0,0,0,1|2,0,0]=4 3313 B9R1.13 CC(=O)NC1CCNC1 MCULE-9319017541 [1,0,0,0,0,1|2,0,0]=4 3314 B9R1.13 CC(=O)N[C@@H]1CCNC1 MCULE-1207025314 [1,0,0,0,0,1|2,0,0]=4 3315 B9R1.13 CC(=O)N[C@@H]1CCNC1 MCULE-7984936811 [1,0,0,0,0,1|2,0,0]=4 3316 B9R1.13 CC(=O)N[C@@H]1CCNC1 MCULE-8722694369 [1,0,0,0,0,1|2,0,0]=4 3317 B9R1.13 CC(=O)N[C@H]1CCNC1 MCULE-3447488838 [1,0,0,0,0,1|2,0,0]=4 3318 B9R1.13 CC(=O)N[C@H]1CCNC1 MCULE-4093097100 [1,0,0,0,0,1|2,0,0]=4 3319 B9R1.13 CC(=O)N[C@H]1CCNC1 MCULE-4416464509 [1,0,0,0,0,1|2,0,0]=4 3320 B9R1.13 CC(=O)N[C@H]1CCNC1 MCULE-5561268178 [1,0,0,0,0,1|2,0,0]=4 3321 B9R1.13 CC(=O)OC1CCCC1 MCULE-7737656947 [1,0,0,0,0,1|1,0,0]=3 3322 B9R1.13 CC(=O)OC1CCCO1 MCULE-9160883410 [1,0,0,0,0,1|2,0,0]=4 3323 B9R1.13 CC(=O)OC1CCNC1 MCULE-3149020197 [1,0,0,0,0,1|2,0,0]=4 3324 B9R1.13 CC(=O)OC1CCNC1 MCULE-9159124706 [1,0,0,0,0,1|2,0,0]=4 3325 B9R1.13 CC(=O)SC1CCOC1 MCULE-8318391351 [1,0,0,0,0,1|2,0,0]=4 3326 B9R1.13 N=C(N)NC1CCCC1 MCULE-2712949871 [1,0,0,0,0,1|2,0,0]=4 3327 B9R1.13 N=C(N)NC1CCCC1 MCULE-8069558442 [1,0,0,0,0,1|2,0,0]=4 3328 B9R1.13 NC(=NC1CCCC1)N MCULE-1167874672 [1,0,0,0,0,1|2,0,0]=4 3329 B9R1.13 NC(=NC1CCCC1)N MCULE-9434603443 [1,0,0,0,0,1|2,0,0]=4 3330 B9R1.13 NC(=O)CC1CCCC1 MCULE-2082339108 [1,0,0,0,0,1|1,0,0]=3 3331 B9R1.13 NC(=O)CC1CCCN1 MCULE-2142594957 [1,0,0,0,0,1|2,0,0]=4 3332 B9R1.13 NC(=O)CC1CCCN1 MCULE-8011902334 [1,0,0,0,0,1|2,0,0]=4 3333 B9R1.13 NC(=O)CC1CCNC1 MCULE-7856346382 [1,0,0,0,0,1|2,0,0]=4 3334 B9R1.13 NC(=O)CC1CCNC1 MCULE-9708437402 [1,0,0,0,0,1|2,0,0]=4 3335 B9R1.13 NC(=O)C[C@H]1CCCN1 MCULE-2790931086 [1,0,0,0,0,1|2,0,0]=4 3336 B9R1.13 NC(=O)C[C@H]1CCCN1 MCULE-3723741843 [1,0,0,0,0,1|2,0,0]=4 3337 B9R1.13 NC(=O)C[C@H]1CCCN1 MCULE-3877903747 [1,0,0,0,0,1|2,0,0]=4 3338 B9R1.13 NC(=O)C[C@H]1CCCN1 MCULE-5587287647 [1,0,0,0,0,1|2,0,0]=4 3339 B9R1.13 NC(=O)NC1CCCC1 MCULE-9715014489 [1,0,0,0,0,1|1,0,0]=3 3340 B9R1.13 NC(=O)OC1CCCC1 MCULE-7706681395 [1,0,0,0,0,1|1,0,0]=3 3341 B9R1.13 NC(=S)CC1CCCC1 MCULE-6979331241 [1,0,0,0,0,1|1,1,0]=4 3342 B9R1.13 NC(=S)NC1CCCC1 MCULE-6223276405 [1,0,0,0,0,1|1,1,0]=4 3343 B9R1.13 O=C(Cl)CC1CCCC1 MCULE-1532102571 [1,0,0,0,0,1|1,0,0]=3 3344 B9R1.13 O=C(Cl)CC1CCCO1 MCULE-6649417514 [1,0,0,0,0,1|2,0,0]=4 3345 B9R1.13 O=C(Cl)CN1CCCC1 MCULE-5855966340 [1,0,0,0,0,1|2,0,0]=4 3346 B9R1.13 O=C(Cl)CN1CCCC1 MCULE-7423158222 [1,0,0,0,0,1|2,0,0]=4 3347 B9R1.13 O=C(Cl)OC1CCCC1 MCULE-2692212922 [1,0,0,0,0,1|1,0,0]=3 3348 B9R1.13 O=C(Cl)OC1CCOC1 MCULE-2201264760 [1,0,0,0,0,1|2,0,0]=4 3349 B9R1.13 O=C(O)/C=C\1/CCNC1 MCULE-3459034443 [1,0,0,0,0,1|1,0,1]=4 3350 B9R1.13 O=C(O)C=C1CCCC1 MCULE-1637420148 [1,0,0,0,0,1|0,0,1]=3 3351 B9R1.13 O=C(O)CC1=CCCC1 MCULE-5115478269 [1,0,0,0,0,1|0,0,2]=4 3352 B9R1.13 O=C(O)CC1C=CCC1 MCULE-6825390000 [1,0,0,0,0,1|0,0,2]=4 3353 B9R1.13 O=C(O)CC1CC=CC1 MCULE-8417475923 [1,0,0,0,0,1|0,0,2]=4 3354 B9R1.13 O=C(O)CC1CCCC1 MCULE-1115751804 [1,0,0,0,0,1|0,0,0]=2 3355 B9R1.13 O=C(O)CC1CCCN1 MCULE-6784535537 [1,0,0,0,0,1|1,0,0]=3 3356 B9R1.13 O=C(O)CC1CCCN1 MCULE-8302150253 [1,0,0,0,0,1|1,0,0]=3 3357 B9R1.13 O=C(O)CC1CCCO1 MCULE-8027346350 [1,0,0,0,0,1|1,0,0]=3 3358 B9R1.13 O=C(O)CC1CCNC1 MCULE-3199492917 [1,0,0,0,0,1|1,0,0]=3 3359 B9R1.13 O=C(O)CC1CCNC1 MCULE-3887627276 [1,0,0,0,0,1|1,0,0]=3 3360 B9R1.13 O=C(O)CC1CCOC1 MCULE-5167901709 [1,0,0,0,0,1|1,0,0]=3 3361 B9R1.13 O=C(O)CC1CCOC1 MCULE-9171332464 [1,0,0,0,0,1|1,0,0]=3 3362 B9R1.13 O=C(O)CC1CCSS1 MCULE-4893716992 [1,0,0,0,0,1|2,0,0]=4 3363 B9R1.13 O=C(O)CC1OCCO1 MCULE-2253063465 [1,0,0,0,0,1|2,0,0]=4 3364 B9R1.13 O=C(O)CN1CCCC1 MCULE-3979513963 [1,0,0,0,0,1|1,0,0]=3 3365 B9R1.13 O=C(O)CN1CCCC1 MCULE-4046939568 [1,0,0,0,0,1|1,0,0]=3 3366 B9R1.13 O=C(O)C[C@@H]1CCCN1 MCULE-3034711788 [1,0,0,0,0,1|1,0,0]=3 3367 B9R1.13 O=C(O)C[C@@H]1CCCN1 MCULE-8632270998 [1,0,0,0,0,1|1,0,0]=3 3368 B9R1.13 O=C(O)C[C@@H]1CCCN1 MCULE-9053746158 [1,0,0,0,0,1|1,0,0]=3 3369 B9R1.13 O=C(O)C[C@@H]1CCCO1 MCULE-6652130024 [1,0,0,0,0,1|1,0,0]=3 3370 B9R1.13 O=C(O)C[C@@H]1CCNC1 MCULE-1313399028 [1,0,0,0,0,1|1,0,0]=3 3371 B9R1.13 O=C(O)C[C@@H]1CCNC1 MCULE-3013411353 [1,0,0,0,0,1|1,0,0]=3 3372 B9R1.13 O=C(O)C[C@@H]1CCNC1 MCULE-4082052328 [1,0,0,0,0,1|1,0,0]=3 3373 B9R1.13 O=C(O)C[C@@H]1CCNC1 MCULE-4709831049 [1,0,0,0,0,1|1,0,0]=3 3374 B9R1.13 O=C(O)C[C@@H]1CCOC1 MCULE-2630690308 [1,0,0,0,0,1|1,0,0]=3 3375 B9R1.13 O=C(O)C[C@@H]1CCOC1 MCULE-6148582776 [1,0,0,0,0,1|1,0,0]=3 3376 B9R1.13 O=C(O)C[C@H]1CCCN1 MCULE-1934097379 [1,0,0,0,0,1|1,0,0]=3 3377 B9R1.13 O=C(O)C[C@H]1CCCN1 MCULE-3129569449 [1,0,0,0,0,1|1,0,0]=3 3378 B9R1.13 O=C(O)C[C@H]1CCCN1 MCULE-8499782890 [1,0,0,0,0,1|1,0,0]=3 3379 B9R1.13 O=C(O)C[C@H]1CCCN1 MCULE-9712071738 [1,0,0,0,0,1|1,0,0]=3 3380 B9R1.13 O=C(O)C[C@H]1CCNC1 MCULE-3712345326 [1,0,0,0,0,1|1,0,0]=3 3381 B9R1.13 O=C(O)C[C@H]1CCNC1 MCULE-4882389427 [1,0,0,0,0,1|1,0,0]=3 3382 B9R1.13 O=C(O)C[C@H]1CCNC1 MCULE-5390328422 [1,0,0,0,0,1|1,0,0]=3 3383 B9R1.13 O=C(O)C[C@H]1CCNC1 MCULE-8402835022 [1,0,0,0,0,1|1,0,0]=3 3384 B9R1.13 O=C(O)C[C@H]1CCOC1 MCULE-3521696581 [1,0,0,0,0,1|1,0,0]=3 3385 B9R1.13 O=C(O)C[C@H]1CCOC1 MCULE-6096956796 [1,0,0,0,0,1|1,0,0]=3 3386 B9R1.13 OB(O)CC1CCCC1 MCULE-5721807920 [1,0,0,0,0,1|1,0,1]=4 3387 B9R1.13 [C@H]1(CCCN1)CC(=O)O MCULE-6368276149 [1,0,0,0,0,1|1,0,0]=3 3388 B9R1.118 C#CC1(CCCCC1)N MCULE-3624994918 [1,0,0,0,0,1|1,0,1]=4 3389 B9R1.118 C#CC1(CCCCC1)N MCULE-4253590078 [1,0,0,0,0,1|1,0,1]=4 3390 B9R1.118 C#CC1(CCCCC1)N MCULE-5146757979 [1,0,0,0,0,1|1,0,1]=4 3391 B9R1.118 C#CC1(CCCCC1)N MCULE-6592648519 [1,0,0,0,0,1|1,0,1]=4 3392 B9R1.118 C#CC1(CCOCC1)N MCULE-2713720371 [1,0,0,0,0,1|1,0,1]=4 3393 B9R1.118 C#CC1(CCOCC1)N MCULE-4723544109 [1,0,0,0,0,1|1,0,1]=4 3394 B9R1.118 C=CC1(CCCCC1)O MCULE-7521116261 [1,0,0,0,0,1|2,0,0]=4 3395 B9R1.118 C=CC1(CCOCC1)O MCULE-1347861395 [1,0,0,0,0,1|2,0,0]=4 3396 B9R1.118 CC1(CCCCC1)C=O MCULE-5963131023 [1,0,0,0,0,1|1,0,0]=3 3397 B9R1.118 CC1(CCCCC1)CO MCULE-7082905261 [1,0,0,0,0,1|1,0,1]=4 3398 B9R1.118 CC1(CCCCN1)CO MCULE-2480758252 [1,0,0,0,0,1|1,0,1]=4 3399 B9R1.118 CC1(CCCCN1)CO MCULE-4992390900 [1,0,0,0,0,1|1,0,1]=4 3400 B9R1.118 CC1(CCCCO1)C=O MCULE-9760251174 [1,0,0,0,0,1|1,0,0]=3 3401 B9R1.118 CC1(CCCCO1)CO MCULE-1474953219 [1,0,0,0,0,1|1,0,1]=4 3402 B9R1.118 CC1(CCCNC1)CO MCULE-7859652987 [1,0,0,0,0,1|1,0,1]=4 3403 B9R1.118 CC1(CCCNC1)CO MCULE-9138617665 [1,0,0,0,0,1|1,0,1]=4 3404 B9R1.118 CC1(CCCOC1)CO MCULE-5818698089 [1,0,0,0,0,1|1,0,1]=4 3405 B9R1.118 CC1(CCNCC1)CO MCULE-4193945417 [1,0,0,0,0,1|1,0,1]=4 3406 B9R1.118 CC1(CCNCC1)CO MCULE-6270876419 [1,0,0,0,0,1|1,0,1]=4 3407 B9R1.118 CC1(CCOCC1)C=O MCULE-8265392725 [1,0,0,0,0,1|1,0,0]=3 3408 B9R1.118 CC1(CCOCC1)CO MCULE-5535447172 [1,0,0,0,0,1|1,0,1]=4 3409 B9R1.118 CCC1(CCCCC1)N MCULE-3886661042 [1,0,0,0,0,1|1,0,1]=4 3410 B9R1.118 CCC1(CCCCC1)N MCULE-3921643203 [1,0,0,0,0,1|1,0,1]=4 3411 B9R1.118 CCC1(CCNCC1)N MCULE-3050005338 [1,0,0,0,0,1|1,0,1]=4 3412 B9R1.118 CCC1(CCNCC1)N MCULE-6047230311 [1,0,0,0,0,1|1,0,1]=4 3413 B9R1.118 CCC1(CCOCC1)N MCULE-3790819064 [1,0,0,0,0,1|1,0,1]=4 3414 B9R1.118 CCC1(CCOCC1)N MCULE-5690381602 [1,0,0,0,0,1|1,0,1]=4 3415 B9R1.118 C[C@@]1(CCCNC1)CO MCULE-2002234086 [1,0,0,0,0,1|1,0,1]=4 3416 B9R1.118 C[C@@]1(CCCNC1)CO MCULE-7671897310 [1,0,0,0,0,1|1,0,1]=4 3417 B9R1.118 N#CC1(CCCCC1)N MCULE-6005660314 [1,0,0,0,0,1|1,0,1]=4 3418 B9R1.118 N#CC1(CCCCC1)N MCULE-8198076555 [1,0,0,0,0,1|1,0,1]=4 3419 B9R1.118 N#CC1(CCCOC1)N MCULE-7813976151 [1,0,0,0,0,1|1,0,1]=4 3420 B9R1.118 N#CC1(CCOCC1)N MCULE-1673659380 [1,0,0,0,0,1|1,0,1]=4 3421 B9R1.118 N#CC1(CCOCC1)N MCULE-9441023659 [1,0,0,0,0,1|1,0,1]=4 3422 B9R1.118 N#CC1(CCSCC1)N MCULE-8760306151 [1,0,0,0,0,1|1,0,1]=4 3423 B9R1.118 NC1(CCCCC1)CO MCULE-5010483791 [1,0,0,0,0,1|0,0,1]=3 3424 B9R1.118 NC1(CCCCC1)CO MCULE-9568898546 [1,0,0,0,0,1|0,0,1]=3 3425 B9R1.118 NC1(CCNCC1)CO MCULE-4957450788 [1,0,0,0,0,1|0,0,1]=3 3426 B9R1.118 NC1(CCNCC1)CO MCULE-8808091761 [1,0,0,0,0,1|0,0,1]=3 3427 B9R1.118 NC1(CCOCC1)CF MCULE-6182015014 [1,0,0,0,0,1|1,0,1]=4 3428 B9R1.118 NC1(CCOCC1)CF MCULE-7419811491 [1,0,0,0,0,1|1,0,1]=4 3429 B9R1.118 NC1(CCOCC1)CO MCULE-5523370445 [1,0,0,0,0,1|0,0,1]=3 3430 B9R1.118 NC1(CCOCC1)CO MCULE-7081316740 [1,0,0,0,0,1|0,0,1]=3 3431 B9R1.118 NC1(CCSCC1)CO MCULE-3751635501 [1,0,0,0,0,1|0,0,1]=3 3432 B9R1.118 NC1(CCSCC1)CO MCULE-5887780207 [1,0,0,0,0,1|0,0,1]=3 3433 B9R1.118 NCC1(CCCCC1)N MCULE-1440012619 [1,0,0,0,0,1|1,0,1]=4 3434 B9R1.118 NCC1(CCCCC1)N MCULE-4904885698 [1,0,0,0,0,1|1,0,1]=4 3435 B9R1.118 NCC1(CCCCC1)N MCULE-5203944425 [1,0,0,0,0,1|1,0,1]=4 3436 B9R1.118 NCC1(CCOCC1)N MCULE-8014068638 [1,0,0,0,0,1|1,0,1]=4 3437 B9R1.118 O=CC1(CCOCC1)F MCULE-7250965761 [1,0,0,0,0,1|1,0,0]=3 3438 B9R1.118 O=CC1(CCSCC1)F MCULE-5821896166 [1,0,0,0,0,1|1,0,0]=3 3439 B9R1.118 O=NC1(CCCCC1)Cl MCULE-4752067659 [1,0,0,0,0,1|2,0,0]=4 3440 B9R1.118 OCC1(CCCCC1)F MCULE-6893319227 [1,0,0,0,0,1|1,0,1]=4 3441 B9R1.118 OCC1(CCCCC1)O MCULE-4401054903 [1,0,0,0,0,1|1,0,1]=4 3442 B9R1.118 OCC1(CCCCC1)S MCULE-4689452330 [1,0,0,0,0,1|1,0,1]=4 3443 B9R1.118 OCC1(CCCNC1)F MCULE-1604953146 [1,0,0,0,0,1|1,0,1]=4 3444 B9R1.118 OCC1(CCCNC1)F MCULE-2701254971 [1,0,0,0,0,1|1,0,1]=4 3445 B9R1.118 OCC1(CCCNC1)O MCULE-2181561679 [1,0,0,0,0,1|1,0,1]=4 3446 B9R1.118 OCC1(CCCNC1)O MCULE-5468132031 [1,0,0,0,0,1|1,0,1]=4 3447 B9R1.118 OCC1(CCCOC1)F MCULE-7902519614 [1,0,0,0,0,1|1,0,1]=4 3448 B9R1.118 OCC1(CCNCC1)F MCULE-1911530330 [1,0,0,0,0,1|1,0,1]=4 3449 B9R1.118 OCC1(CCNCC1)F MCULE-6594830680 [1,0,0,0,0,1|1,0,1]=4 3450 B9R1.118 OCC1(CCNCC1)O MCULE-5825046102 [1,0,0,0,0,1|1,0,1]=4 3451 B9R1.118 OCC1(CCNCC1)O MCULE-9697641993 [1,0,0,0,0,1|1,0,1]=4 3452 B9R1.118 OCC1(CCOCC1)F MCULE-6397920040 [1,0,0,0,0,1|1,0,1]=4 3453 B9R1.118 OCC1(CCOCC1)O MCULE-9700422902 [1,0,0,0,0,1|1,0,1]=4 3454 B9R1.118 OCC1(CCSCC1)O MCULE-9917132643 [1,0,0,0,0,1|1,0,1]=4 3455 B9R1.118 OC[C@@]1(CCCNC1)F MCULE-1828463699 [1,0,0,0,0,1|1,0,1]=4 3456 B9R1.118 OC[C@]1(CCCNC1)F MCULE-1994723738 [1,0,0,0,0,1|1,0,1]=4 3457 B9R1.118 OC[C@]1(CCCNC1)F MCULE-5822647493 [1,0,0,0,0,1|1,0,1]=4 3458 B9R1.118 OC[C@]1(CCCNC1)F MCULE-6498345493 [1,0,0,0,0,1|1,0,1]=4 3459 B9R1.118 OC[C@]1(CCCNC1)F MCULE-7704795376 [1,0,0,0,0,1|1,0,1]=4 3460 B9R1.171 CC(=O)CC1(CCC1)O MCULE-9059999179 [0,0,0,0,1,1|2,0,0]=4 3461 B9R1.171 CC(=O)NC1(CCC1)C MCULE-3803103967 [0,0,0,0,1,1|2,0,0]=4 3462 B9R1.171 CC1(CCC1)CC(=O)O MCULE-7933536922 [0,0,0,0,1,1|1,0,0]=3 3463 B9R1.171 CC1(COC1)CC(=O)O MCULE-6717906096 [0,0,0,0,1,1|2,0,0]=4 3464 B9R1.171 NC(=O)CC1(CCC1)N MCULE-9066660105 [0,0,0,0,1,1|1,0,0]=3 3465 B9R1.171 NC(=O)CC1(CCC1)N MCULE-9947560643 [0,0,0,0,1,1|1,0,0]=3 3466 B9R1.171 NC(=O)CC1(COC1)N MCULE-9538138103 [0,0,0,0,1,1|2,0,0]=4 3467 B9R1.171 NC1(CCC1)CC(=O)O MCULE-2268387352 [0,0,0,0,1,1|0,0,0]=2 3468 B9R1.171 NC1(CCC1)CC(=O)O MCULE-7887308813 [0,0,0,0,1,1|0,0,0]=2 3469 B9R1.171 NC1(COC1)CC(=O)O MCULE-7347209492 [0,0,0,0,1,1|1,0,0]=3 3470 B9R1.171 O=C(O)CC1(CCC1)O MCULE-4697861595 [0,0,0,0,1,1|1,0,0]=3 3471 B9R1.171 O=C(O)CC1(COC1)F MCULE-8446148413 [0,0,0,0,1,1|2,0,0]=4 3472 B11R1.737 CC1(CCCCCC1)C(=O)O MCULE-3584192725 [0,0,0,0,0,2|1,0,0]=3 3473 B11R1.737 NC(=O)C1(CCCCCC1)N MCULE-6163613760 [0,0,0,0,0,2|1,0,0]=3 3474 B11R1.737 NC(=O)C1(CCCCCC1)O MCULE-4135482773 [0,0,0,0,0,2|2,0,0]=4 3475 B11R1.737 NC1(CCCCCC1)C(=O)O MCULE-6498749639 [0,0,0,0,0,2|0,0,0]=2 3476 B11R1.737 NC1(CCCNCC1)C(=O)O MCULE-7153988486 [0,0,0,0,0,2|0,0,0]=2 3477 B11R1.737 O=C(O)C1(CCCCCC1)O MCULE-7470096721 [0,0,0,0,0,2|1,0,0]=3 3478 B11R1.928 CC(=O)NC1(CCCCC1)C MCULE-7381251920 [0,0,0,0,0,2|2,0,0]=4 3479 B11R1.928 CC1(CCCCC1)CC(=O)O MCULE-7882506747 [0,0,0,0,0,2|1,0,0]=3 3480 B11R1.928 CC1(CCNCC1)CC(=O)O MCULE-5814680905 [0,0,0,0,0,2|1,0,0]=3 3481 B11R1.928 CC1(CCNCC1)CC(=O)O MCULE-6867782906 [0,0,0,0,0,2|1,0,0]=3 3482 B11R1.928 CC1(CCOCC1)CC(=O)O MCULE-4326857569 [0,0,0,0,0,2|1,0,0]=3 3483 B11R1.928 NC(=O)CC1(CCCCC1)N MCULE-4039201792 [0,0,0,0,0,2|1,0,0]=3 3484 B11R1.928 NC(=O)CC1(CCCCC1)N MCULE-4397477502 [0,0,0,0,0,2|1,0,0]=3 3485 B11R1.928 NC(=O)CC1(CCOCC1)O MCULE-2274031774 [0,0,0,0,0,2|2,0,0]=4 3486 B11R1.928 NC1(CCCCC1)CC(=O)O MCULE-1663310557 [0,0,0,0,0,2|0,0,0]=2 3487 B11R1.928 NC1(CCCCC1)CC(=O)O MCULE-2879076377 [0,0,0,0,0,2|0,0,0]=2 3488 B11R1.928 NC1(CCCOC1)CC(=O)O MCULE-5652559264 [0,0,0,0,0,2|0,0,0]=2 3489 B11R1.928 NC1(CCCOC1)CC(=O)O MCULE-6139247914 [0,0,0,0,0,2|0,0,0]=2 3490 B11R1.928 NC1(CCOCC1)CC(=O)O MCULE-1850281708 [0,0,0,0,0,2|0,0,0]=2 3491 B11R1.928 NC1(CCOCC1)CC(=O)O MCULE-2706982629 [0,0,0,0,0,2|0,0,0]=2 3492 B11R1.928 NC1(CCSCC1)CC(=O)O MCULE-9758860021 [0,0,0,0,0,2|0,0,0]=2 3493 B11R1.928 O=C(O)CC1(CCCCC1)O MCULE-3422507323 [0,0,0,0,0,2|1,0,0]=3 3494 B11R1.928 O=C(O)CC1(CCCOC1)O MCULE-4776333020 [0,0,0,0,0,2|1,0,0]=3 3495 B11R1.928 O=C(O)CC1(CCNCC1)O MCULE-2683625220 [0,0,0,0,0,2|1,0,0]=3 3496 B11R1.928 O=C(O)CC1(CCNCC1)O MCULE-8049713319 [0,0,0,0,0,2|1,0,0]=3 3497 B11R1.928 O=C(O)CC1(CCOCC1)O MCULE-8349755612 [0,0,0,0,0,2|1,0,0]=3 3498 B11R1.713 CC(=O)NCC1(CCCC1)N MCULE-6384267292 [0,0,0,0,0,2|1,0,0]=3 3499 B11R1.713 CC1(CCCC1)OCC(=O)O MCULE-7843154892 [0,0,0,0,0,2|1,0,0]=3 3500 B11R1.713 CC1(CCCO1)C#CC(=O)O MCULE-6718298489 [0,0,0,0,0,2|2,0,0]=4 3501 B11R1.713 NC1(CCCC1)CCC(=O)O MCULE-4664971785 [0,0,0,0,0,2|0,0,0]=2