0 B9R1.69 C=C1CCC(=O)NC1=O MCULE-9917847735 [0,0,0,0,0,0|1,0,2]=3 1 B9R1.69 CC1=C(C=C(C=C1)Br)Br MCULE-5331867401 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.69 CC1=C(C=C(C=C1)Br)C MCULE-6360595723 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.69 CC1=C(C=C(C=C1)Br)Cl MCULE-4067490272 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.69 CC1=C(C=C(C=C1)Br)F MCULE-6822738877 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.69 CC1=C(C=C(C=C1)Br)O MCULE-2828729187 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.69 CC1=C(C=C(C=C1)Br)S MCULE-2710173125 [0,0,0,0,0,0|3,1,0]=4 7 B9R1.69 CC1=C(C=C(C=C1)Cl)Br MCULE-3986795329 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.69 CC1=C(C=C(C=C1)Cl)C MCULE-9883527240 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.69 CC1=C(C=C(C=C1)Cl)Cl MCULE-3533327422 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.69 CC1=C(C=C(C=C1)Cl)F MCULE-4485114260 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.69 CC1=C(C=C(C=C1)Cl)I MCULE-8692412003 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.69 CC1=C(C=C(C=C1)Cl)N MCULE-6343499796 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.69 CC1=C(C=C(C=C1)Cl)O MCULE-1177104363 [0,0,0,0,0,0|3,0,1]=4 14 B9R1.69 CC1=C(C=C(C=C1)Cl)S MCULE-5507035892 [0,0,0,0,0,0|3,1,0]=4 15 B9R1.69 CC1=C(C=C(C=C1)F)Br MCULE-3635342944 [0,0,0,0,0,0|4,0,0]=4 16 B9R1.69 CC1=C(C=C(C=C1)F)Cl MCULE-8097344016 [0,0,0,0,0,0|4,0,0]=4 17 B9R1.69 CC1=C(C=C(C=C1)F)N MCULE-1186687197 [0,0,0,0,0,0|4,0,0]=4 18 B9R1.69 CC1=C(C=C(C=C1)F)O MCULE-6942849515 [0,0,0,0,0,0|3,0,1]=4 19 B9R1.69 CC1=C(C=C(C=C1)F)S MCULE-3408675531 [0,0,0,0,0,0|3,1,0]=4 20 B9R1.69 CC1=C(C=C(C=C1)I)Br MCULE-8273273580 [0,0,0,0,0,0|4,0,0]=4 21 B9R1.69 CC1=C(C=C(C=C1)I)O MCULE-2773115387 [0,0,0,0,0,0|3,0,1]=4 22 B9R1.69 CC1=C(C=C(C=C1)N)Br MCULE-1503444476 [0,0,0,0,0,0|4,0,0]=4 23 B9R1.69 CC1=C(C=C(C=C1)N)C MCULE-1697510010 [0,0,0,0,0,0|4,0,0]=4 24 B9R1.69 CC1=C(C=C(C=C1)N)C MCULE-3181938394 [0,0,0,0,0,0|4,0,0]=4 25 B9R1.69 CC1=C(C=C(C=C1)N)Cl MCULE-7253888656 [0,0,0,0,0,0|4,0,0]=4 26 B9R1.69 CC1=C(C=C(C=C1)N)F MCULE-9063314106 [0,0,0,0,0,0|4,0,0]=4 27 B9R1.69 CC1=C(C=C(C=C1)N)I MCULE-4711468376 [0,0,0,0,0,0|4,0,0]=4 28 B9R1.69 CC1=C(C=C(C=C1)N)N MCULE-2330805551 [0,0,0,0,0,0|4,0,0]=4 29 B9R1.69 CC1=C(C=C(C=C1)N)N MCULE-7032087157 [0,0,0,0,0,0|4,0,0]=4 30 B9R1.69 CC1=C(C=C(C=C1)N)O MCULE-5197001608 [0,0,0,0,0,0|3,0,1]=4 31 B9R1.69 CC1=C(C=C(C=C1)N)O MCULE-8172475269 [0,0,0,0,0,0|3,0,1]=4 32 B9R1.69 CC1=C(C=C(C=C1)O)C MCULE-1568356481 [0,0,0,0,0,0|3,0,1]=4 33 B9R1.69 CC1=C(C=C(C=C1)O)Cl MCULE-4134695206 [0,0,0,0,0,0|3,0,1]=4 34 B9R1.69 CC1=C(C=C(C=C1)O)F MCULE-6820339652 [0,0,0,0,0,0|3,0,1]=4 35 B9R1.69 CC1=C(C=C(C=C1)O)N MCULE-9053231360 [0,0,0,0,0,0|3,0,1]=4 36 B9R1.69 CC1=C(C=C(C=C1)O)O MCULE-2408715752 [0,0,0,0,0,0|2,0,2]=4 37 B9R1.69 CC1=C(C=C(C=C1)S)Br MCULE-4914292413 [0,0,0,0,0,0|3,1,0]=4 38 B9R1.69 CC1=C(C=C(C=C1)S)Cl MCULE-8007988870 [0,0,0,0,0,0|3,1,0]=4 39 B9R1.69 CC1=C(C=C(N=C1)Br)C MCULE-9366007830 [0,0,0,0,0,0|3,0,1]=4 40 B9R1.69 CC1=C(C=C(N=C1)Br)N MCULE-5662377931 [0,0,0,0,0,0|3,0,1]=4 41 B9R1.69 CC1=C(C=C(N=C1)Cl)C MCULE-6667971853 [0,0,0,0,0,0|3,0,1]=4 42 B9R1.69 CC1=C(C=C(N=C1)Cl)O MCULE-4855067511 [0,0,0,0,0,0|2,0,2]=4 43 B9R1.69 CC1=C(C=C(N=C1)F)I MCULE-2117079863 [0,0,0,0,0,0|3,0,1]=4 44 B9R1.69 CC1=C(C=CC(=O)N1)Br MCULE-4521117941 [0,0,0,0,0,0|3,0,0]=3 45 B9R1.69 CC1=C(C=CC(=O)N1)F MCULE-7194077740 [0,0,0,0,0,0|3,0,0]=3 46 B9R1.69 CC1=C(C=CC(=O)N1)I MCULE-5617997142 [0,0,0,0,0,0|3,0,0]=3 47 B9R1.69 CC1=C(C=NC(=O)N1)Br MCULE-4433615327 [0,0,0,0,0,0|2,0,1]=3 48 B9R1.69 CC1=C(C=NC(=O)N1)Br MCULE-9820279136 [0,0,0,0,0,0|2,0,1]=3 49 B9R1.69 CC1=C(N=C(C=C1)Br)F MCULE-8931058349 [0,0,0,0,0,0|3,0,1]=4 50 B9R1.69 CC1=C(N=C(C=C1)Cl)Br MCULE-7079784781 [0,0,0,0,0,0|3,0,1]=4 51 B9R1.69 CC1=C(N=C(C=C1)F)N MCULE-5335138032 [0,0,0,0,0,0|3,0,1]=4 52 B9R1.69 CC1=C(N=C(C=C1)N)Br MCULE-9723253640 [0,0,0,0,0,0|3,0,1]=4 53 B9R1.69 CC1=C(N=C(C=C1)N)C MCULE-9756619205 [0,0,0,0,0,0|3,0,1]=4 54 B9R1.69 CC1=C(N=C(C=C1)N)Cl MCULE-6734992251 [0,0,0,0,0,0|3,0,1]=4 55 B9R1.69 CC1=C(N=C(N=C1)Cl)C MCULE-9563180202 [0,0,0,0,0,0|2,0,2]=4 56 B9R1.69 CC1=C(N=C(N=C1)Cl)Cl MCULE-5483983866 [0,0,0,0,0,0|2,0,2]=4 57 B9R1.69 CC1=C(N=C(N=C1)Cl)O MCULE-1669455895 [0,0,0,0,0,0|1,0,3]=4 58 B9R1.69 CC1=C(N=C(N=C1)S)C MCULE-7477326392 [0,0,0,0,0,0|1,1,2]=4 59 B9R1.69 CC1=C(N=C(N=C1)S)S MCULE-3112745546 [0,0,0,0,0,0|0,2,2]=4 60 B9R1.69 CC1=C(NC(=O)C=C1)C MCULE-4420397888 [0,0,0,0,0,0|2,0,0]=2 61 B9R1.69 CC1=C(NC(=O)C=N1)C MCULE-9118396111 [0,0,0,0,0,0|3,0,0]=3 62 B9R1.69 CC1=C(NC(=S)SC1)C MCULE-8435974628 [0,0,0,0,0,0|2,1,1]=4 63 B9R1.69 CC1=CC(=C(C=C1)C)Br MCULE-4962602493 [0,0,0,0,0,0|4,0,0]=4 64 B9R1.69 CC1=CC(=C(C=C1)C)C MCULE-5935311187 [0,0,0,0,0,0|4,0,0]=4 65 B9R1.69 CC1=CC(=C(C=C1)C)I MCULE-9107959873 [0,0,0,0,0,0|4,0,0]=4 66 B9R1.69 CC1=CC(=C(C=C1)C)S MCULE-5337925553 [0,0,0,0,0,0|3,1,0]=4 67 B9R1.69 CC1=CC(=O)C(=CN1)O MCULE-1538839877 [0,0,0,0,0,0|3,0,0]=3 68 B9R1.69 CC1=CC(=O)C(=CO1)O MCULE-1008730092 [0,0,0,0,0,0|4,0,0]=4 69 B9R1.69 CC1=CC(=O)C=CC1=O MCULE-9650878933 [0,0,0,0,0,0|4,0,0]=4 70 B9R1.69 CC1=CC(=O)NC=C1Br MCULE-8891123753 [0,0,0,0,0,0|3,0,0]=3 71 B9R1.69 CC1=CC(=O)NN=C1Cl MCULE-5144372564 [0,0,0,0,0,0|4,0,0]=4 72 B9R1.69 CC1=CC(=O)NNC1=O MCULE-6634066970 [0,0,0,0,0,0|4,0,0]=4 73 B9R1.69 CC1=CC=C(C(=C1)Cl)C MCULE-8494529834 [0,0,0,0,0,0|4,0,0]=4 74 B9R1.69 CC1=CC=C(C(=C1)F)C MCULE-1705718429 [0,0,0,0,0,0|4,0,0]=4 75 B9R1.69 CC1=CC=C(C(=C1)N)C MCULE-6517901524 [0,0,0,0,0,0|4,0,0]=4 76 B9R1.69 CC1=CC=C(C(=C1)N)C MCULE-8700487933 [0,0,0,0,0,0|4,0,0]=4 77 B9R1.69 CC1=CC=C(C(=C1)O)C MCULE-5717907162 [0,0,0,0,0,0|3,0,1]=4 78 B9R1.69 CC1=CC=C(C(=N1)Cl)C MCULE-7160457926 [0,0,0,0,0,0|3,0,1]=4 79 B9R1.69 CC1=CC=C(C(=N1)N)C MCULE-4447951062 [0,0,0,0,0,0|3,0,1]=4 80 B9R1.69 CC1=CC=C(C(=N1)O)C MCULE-2616411031 [0,0,0,0,0,0|2,0,2]=4 81 B9R1.69 CC1=CC=C(C(=O)N1)Cl MCULE-5441621395 [0,0,0,0,0,0|3,0,0]=3 82 B9R1.69 CC1=CC=C(C(=O)N1)N MCULE-6572218746 [0,0,0,0,0,0|3,0,0]=3 83 B9R1.69 CC1=CC=C(C=C1Br)N MCULE-7938456177 [0,0,0,0,0,0|4,0,0]=4 84 B9R1.69 CC1=CC=C(C=C1Br)O MCULE-3535164244 [0,0,0,0,0,0|3,0,1]=4 85 B9R1.69 CC1=CC=C(C=C1C)F MCULE-1511460646 [0,0,0,0,0,0|4,0,0]=4 86 B9R1.69 CC1=CC=C(C=C1C)I MCULE-4095485546 [0,0,0,0,0,0|4,0,0]=4 87 B9R1.69 CC1=CC=C(C=C1C)S MCULE-5609850795 [0,0,0,0,0,0|3,1,0]=4 88 B9R1.69 CC1=CC=C(C=C1Cl)I MCULE-9066191473 [0,0,0,0,0,0|4,0,0]=4 89 B9R1.69 CC1=CC=C(C=C1Cl)N MCULE-8971831021 [0,0,0,0,0,0|4,0,0]=4 90 B9R1.69 CC1=CC=C(C=C1F)F MCULE-7281974771 [0,0,0,0,0,0|4,0,0]=4 91 B9R1.69 CC1=CC=C(C=C1F)I MCULE-9910363517 [0,0,0,0,0,0|4,0,0]=4 92 B9R1.69 CC1=CC=C(C=C1F)S MCULE-6012823517 [0,0,0,0,0,0|3,1,0]=4 93 B9R1.69 CC1=CC=C(C=C1I)Br MCULE-5819295477 [0,0,0,0,0,0|4,0,0]=4 94 B9R1.69 CC1=CC=C(C=C1I)F MCULE-7818679548 [0,0,0,0,0,0|4,0,0]=4 95 B9R1.69 CC1=CC=C(C=C1I)O MCULE-2901997036 [0,0,0,0,0,0|3,0,1]=4 96 B9R1.69 CC1=CC=C(C=C1N)Br MCULE-9979148248 [0,0,0,0,0,0|4,0,0]=4 97 B9R1.69 CC1=CC=C(C=C1N)Cl MCULE-8559274182 [0,0,0,0,0,0|4,0,0]=4 98 B9R1.69 CC1=CC=C(C=C1N)I MCULE-1847631914 [0,0,0,0,0,0|4,0,0]=4 99 B9R1.69 CC1=CC=C(C=C1O)N MCULE-6328468082 [0,0,0,0,0,0|3,0,1]=4 100 B9R1.69 CC1=CC=C(N=C1Br)Br MCULE-1218472168 [0,0,0,0,0,0|3,0,1]=4 101 B9R1.69 CC1=CC=C(N=C1Br)F MCULE-4639154074 [0,0,0,0,0,0|3,0,1]=4 102 B9R1.69 CC1=CC=C(N=C1Br)O MCULE-8547746922 [0,0,0,0,0,0|2,0,2]=4 103 B9R1.69 CC1=CC=C(N=C1C)Br MCULE-3065696106 [0,0,0,0,0,0|3,0,1]=4 104 B9R1.69 CC1=CC=C(N=C1C)Cl MCULE-4879245563 [0,0,0,0,0,0|3,0,1]=4 105 B9R1.69 CC1=CC=C(N=C1C)F MCULE-1738991269 [0,0,0,0,0,0|3,0,1]=4 106 B9R1.69 CC1=CC=C(N=C1Cl)Br MCULE-3099029097 [0,0,0,0,0,0|3,0,1]=4 107 B9R1.69 CC1=CC=C(N=C1Cl)Cl MCULE-3912980788 [0,0,0,0,0,0|3,0,1]=4 108 B9R1.69 CC1=CC=C(N=C1Cl)Cl MCULE-6898582226 [0,0,0,0,0,0|3,0,1]=4 109 B9R1.69 CC1=CC=C(N=C1Cl)I MCULE-6154984237 [0,0,0,0,0,0|3,0,1]=4 110 B9R1.69 CC1=CC=C(N=C1F)Cl MCULE-8196615780 [0,0,0,0,0,0|3,0,1]=4 111 B9R1.69 CC1=CC=C(N=C1F)F MCULE-4165593961 [0,0,0,0,0,0|3,0,1]=4 112 B9R1.69 CC1=CC=C(N=C1I)Cl MCULE-5922431065 [0,0,0,0,0,0|3,0,1]=4 113 B9R1.69 CC1=CC=C(N=C1N)Br MCULE-9108252842 [0,0,0,0,0,0|3,0,1]=4 114 B9R1.69 CC1=CC=C(N=C1N)Cl MCULE-8893315964 [0,0,0,0,0,0|3,0,1]=4 115 B9R1.69 CC1=CC=C(N=C1N)N MCULE-2452534781 [0,0,0,0,0,0|3,0,1]=4 116 B9R1.69 CC1=CC=C(NC1=O)Br MCULE-2417679757 [0,0,0,0,0,0|2,0,0]=2 117 B9R1.69 CC1=CC=C(NC1=O)Cl MCULE-5412966214 [0,0,0,0,0,0|2,0,0]=2 118 B9R1.69 CC1=CN=C(C(=O)N1)N MCULE-1079946763 [0,0,0,0,0,0|4,0,0]=4 119 B9R1.69 CC1=CN=C(C=C1Br)Br MCULE-9409342181 [0,0,0,0,0,0|3,0,1]=4 120 B9R1.69 CC1=CN=C(C=C1Br)C MCULE-3548520669 [0,0,0,0,0,0|3,0,1]=4 121 B9R1.69 CC1=CN=C(C=C1Br)Cl MCULE-4149692378 [0,0,0,0,0,0|3,0,1]=4 122 B9R1.69 CC1=CN=C(C=C1Br)F MCULE-9080658086 [0,0,0,0,0,0|3,0,1]=4 123 B9R1.69 CC1=CN=C(C=C1Br)N MCULE-1509434177 [0,0,0,0,0,0|3,0,1]=4 124 B9R1.69 CC1=CN=C(C=C1Br)O MCULE-1550995223 [0,0,0,0,0,0|2,0,2]=4 125 B9R1.69 CC1=CN=C(C=C1C)C MCULE-9685577917 [0,0,0,0,0,0|3,0,1]=4 126 B9R1.69 CC1=CN=C(C=C1C)Cl MCULE-8522679239 [0,0,0,0,0,0|3,0,1]=4 127 B9R1.69 CC1=CN=C(C=C1C)F MCULE-5555970428 [0,0,0,0,0,0|3,0,1]=4 128 B9R1.69 CC1=CN=C(C=C1C)N MCULE-6662436495 [0,0,0,0,0,0|3,0,1]=4 129 B9R1.69 CC1=CN=C(C=C1Cl)Br MCULE-5089961966 [0,0,0,0,0,0|3,0,1]=4 130 B9R1.69 CC1=CN=C(C=C1Cl)C MCULE-2019034776 [0,0,0,0,0,0|3,0,1]=4 131 B9R1.69 CC1=CN=C(C=C1Cl)Cl MCULE-4027194677 [0,0,0,0,0,0|3,0,1]=4 132 B9R1.69 CC1=CN=C(C=C1Cl)N MCULE-8165438047 [0,0,0,0,0,0|3,0,1]=4 133 B9R1.69 CC1=CN=C(C=C1F)Br MCULE-1341245213 [0,0,0,0,0,0|3,0,1]=4 134 B9R1.69 CC1=CN=C(C=C1F)Cl MCULE-8764236584 [0,0,0,0,0,0|3,0,1]=4 135 B9R1.69 CC1=CN=C(C=C1F)N MCULE-9945598618 [0,0,0,0,0,0|3,0,1]=4 136 B9R1.69 CC1=CN=C(C=C1I)Cl MCULE-7111133619 [0,0,0,0,0,0|3,0,1]=4 137 B9R1.69 CC1=CN=C(C=C1I)N MCULE-4581721252 [0,0,0,0,0,0|3,0,1]=4 138 B9R1.69 CC1=CN=C(C=C1N)C MCULE-1894111768 [0,0,0,0,0,0|3,0,1]=4 139 B9R1.69 CC1=CN=C(C=C1N)Cl MCULE-4931819518 [0,0,0,0,0,0|3,0,1]=4 140 B9R1.69 CC1=CN=C(C=C1N)F MCULE-3102391669 [0,0,0,0,0,0|3,0,1]=4 141 B9R1.69 CC1=CN=C(C=C1N)O MCULE-1647241504 [0,0,0,0,0,0|2,0,2]=4 142 B9R1.69 CC1=CN=C(C=C1O)Br MCULE-6056089650 [0,0,0,0,0,0|2,0,2]=4 143 B9R1.69 CC1=CN=C(C=C1O)C MCULE-2922210013 [0,0,0,0,0,0|2,0,2]=4 144 B9R1.69 CC1=CN=C(C=C1O)O MCULE-8334491414 [0,0,0,0,0,0|1,0,3]=4 145 B9R1.69 CC1=CN=C(N=C1Br)Br MCULE-1273114234 [0,0,0,0,0,0|2,0,2]=4 146 B9R1.69 CC1=CN=C(N=C1Br)N MCULE-5772079038 [0,0,0,0,0,0|2,0,2]=4 147 B9R1.69 CC1=CN=C(N=C1C)N MCULE-1839794924 [0,0,0,0,0,0|2,0,2]=4 148 B9R1.69 CC1=CN=C(N=C1C)O MCULE-7065514574 [0,0,0,0,0,0|1,0,3]=4 149 B9R1.69 CC1=CN=C(N=C1C)O MCULE-7301169543 [0,0,0,0,0,0|1,0,3]=4 150 B9R1.69 CC1=CN=C(N=C1Cl)C MCULE-1132043269 [0,0,0,0,0,0|2,0,2]=4 151 B9R1.69 CC1=CN=C(N=C1Cl)N MCULE-4081361820 [0,0,0,0,0,0|2,0,2]=4 152 B9R1.69 CC1=CN=C(N=C1N)Br MCULE-6471992799 [0,0,0,0,0,0|2,0,2]=4 153 B9R1.69 CC1=CN=C(N=C1N)Cl MCULE-6882190116 [0,0,0,0,0,0|2,0,2]=4 154 B9R1.69 CC1=CN=C(N=C1O)N MCULE-2032477823 [0,0,0,0,0,0|1,0,3]=4 155 B9R1.69 CC1=CNC(=NC1=O)C MCULE-3546851335 [0,0,0,0,0,0|1,0,1]=2 156 B9R1.69 CC1=CNC(=O)C=C1C MCULE-7565124087 [0,0,0,0,0,0|2,0,0]=2 157 B9R1.69 CC1=CNC(=O)C=C1I MCULE-9234300230 [0,0,0,0,0,0|2,0,0]=2 158 B9R1.69 CC1=CNC(=O)N=C1Cl MCULE-8904096014 [0,0,0,0,0,0|1,0,1]=2 159 B9R1.69 CC1=CNC(=O)N=C1N MCULE-1653319899 [0,0,0,0,0,0|1,0,1]=2 160 B9R1.69 CC1=CNC(=O)N=C1N MCULE-3789550079 [0,0,0,0,0,0|1,0,1]=2 161 B9R1.69 CC1=CNC(=O)NC1=O MCULE-6356243926 [0,0,0,0,0,0|0,0,0]=0 162 B9R1.69 CC1=CNC(=O)NC1=S MCULE-2390616666 [0,0,0,0,0,0|0,1,0]=1 163 B9R1.69 CC1=CNC(=S)NC1=O MCULE-7685911178 [0,0,0,0,0,0|0,1,0]=1 164 B9R1.69 CC1=NC(=C(C=C1)C)Br MCULE-1570965032 [0,0,0,0,0,0|3,0,1]=4 165 B9R1.69 CC1=NC(=C(C=C1)C)C MCULE-7286582732 [0,0,0,0,0,0|3,0,1]=4 166 B9R1.69 CC1=NC(=C(C=N1)C)N MCULE-3866178608 [0,0,0,0,0,0|2,0,2]=4 167 B9R1.69 CC1=NC=C(C(=O)N1)F MCULE-6156802397 [0,0,0,0,0,0|2,0,1]=3 168 B9R1.69 CC1=NC=C(C(=O)N1)I MCULE-9280509199 [0,0,0,0,0,0|2,0,1]=3 169 B9R1.69 CC1=NN=C(C(=O)N1)C MCULE-3345491063 [0,0,0,0,0,0|2,0,1]=3 170 B9R1.69 CC1=NN=C(NC1=O)S MCULE-1716564578 [0,0,0,0,0,0|1,1,1]=3 171 B9R1.69 CC1=NNC(=O)CC1C MCULE-3840929129 [0,0,0,0,0,0|3,0,1]=4 172 B9R1.69 CC1=NNC(=O)N=C1N MCULE-5391002563 [0,0,0,0,0,0|2,0,1]=3 173 B9R1.69 CC1=NNC(=O)NC1=O MCULE-1502977032 [0,0,0,0,0,0|1,0,0]=1 174 B9R1.69 CC1=NNC(=O)NC1=O MCULE-1807973782 [0,0,0,0,0,0|1,0,0]=1 175 B9R1.69 CC1=NNC(=O)NC1=S MCULE-2580193457 [0,0,0,0,0,0|1,1,0]=2 176 B9R1.69 CC1=NNC(=S)NC1=S MCULE-4576414863 [0,0,0,0,0,0|1,2,0]=3 177 B9R1.69 CC1CCC(=O)CC1=O MCULE-6498795822 [0,0,0,0,0,0|2,0,2]=4 178 B9R1.69 CC1CCC(=O)NC1=O MCULE-4999120435 [0,0,0,0,0,0|1,0,2]=3 179 B9R1.69 CC1CNC(=NC1=O)O MCULE-1498737305 [0,0,0,0,0,0|0,0,4]=4 180 B9R1.69 CC1CNC(=O)CC1=O MCULE-2909713030 [0,0,0,0,0,0|1,0,2]=3 181 B9R1.69 CC1NNC(=O)NC1=O MCULE-2982898824 [0,0,0,0,0,0|1,0,1]=2 182 B9R1.69 CC1NNC(=S)NC1=O MCULE-1126162722 [0,0,0,0,0,0|1,1,1]=3 183 B9R1.69 CC1SCC(=O)CC1=O MCULE-3166347796 [0,0,0,0,0,0|3,0,1]=4 184 B9R1.69 CC1SCC(=O)OC1=O MCULE-4179176992 [0,0,0,0,0,0|3,0,1]=4 185 B9R1.69 CN1C=CC(=CC1=O)Br MCULE-7580325156 [0,0,0,0,0,0|4,0,0]=4 186 B9R1.69 CN1C=CC(=CC1=O)I MCULE-5936034341 [0,0,0,0,0,0|4,0,0]=4 187 B9R1.69 CN1C=CC(=CC1=O)N MCULE-2026478732 [0,0,0,0,0,0|4,0,0]=4 188 B9R1.69 CN1C=CC(=CC1=O)N MCULE-9701068288 [0,0,0,0,0,0|4,0,0]=4 189 B9R1.69 CN1C=CC(=CC1=O)O MCULE-8018311546 [0,0,0,0,0,0|3,0,1]=4 190 B9R1.69 CN1C=CC(=NC1=O)Cl MCULE-8795987648 [0,0,0,0,0,0|3,0,1]=4 191 B9R1.69 CN1C=CC(=NC1=O)N MCULE-6111813808 [0,0,0,0,0,0|3,0,1]=4 192 B9R1.69 CN1C=CC(=O)NC1=O MCULE-4954410074 [0,0,0,0,0,0|2,0,0]=2 193 B9R1.69 CN1C=CC(=O)NC1=S MCULE-6286998648 [0,0,0,0,0,0|2,1,0]=3 194 B9R1.69 CN1C=NC(=CC1=O)Br MCULE-2859951713 [0,0,0,0,0,0|3,0,1]=4 195 B9R1.69 CN1C=NC(=CC1=O)Cl MCULE-1425122742 [0,0,0,0,0,0|3,0,1]=4 196 B9R1.69 CN1C=NC(=CC1=O)N MCULE-7215741667 [0,0,0,0,0,0|3,0,1]=4 197 B9R1.69 CN1CCC(=O)CC1=O MCULE-7583281341 [0,0,0,0,0,0|3,0,1]=4 198 B9R1.69 CN1CCC(=O)NC1=O MCULE-1338210074 [0,0,0,0,0,0|2,0,1]=3 199 B9R1.69 N=C1N=C(NC=C1N)N MCULE-9072791437 [0,0,0,0,0,0|3,0,1]=4 200 B9R1.69 NC1=C(NC(=O)C=C1)N MCULE-9610602391 [0,0,0,0,0,0|3,0,0]=3 201 B9R1.69 NC1=CC(=O)C(=CN1)Cl MCULE-5330162128 [0,0,0,0,0,0|3,0,0]=3 202 B9R1.69 NC1=CC(=O)NN=C1Cl MCULE-4750782331 [0,0,0,0,0,0|4,0,0]=4 203 B9R1.69 NC1=CC=C(NC1=S)Cl MCULE-7529114591 [0,0,0,0,0,0|3,1,0]=4 204 B9R1.69 NC1=CN=C(NC1=O)N MCULE-2464173889 [0,0,0,0,0,0|2,0,1]=3 205 B9R1.69 NC1=CNC(=O)NC1=O MCULE-8766220931 [0,0,0,0,0,0|1,0,0]=1 206 B9R1.69 NC1=NC(=O)C(=CN1)Cl MCULE-7454708722 [0,0,0,0,0,0|2,0,1]=3 207 B9R1.69 NC1=NC(=O)C(=CN1)F MCULE-9299173255 [0,0,0,0,0,0|2,0,1]=3 208 B9R1.69 NC1=NC(=O)C(=CN1)I MCULE-4150780086 [0,0,0,0,0,0|2,0,1]=3 209 B9R1.69 NC1=NC(=O)NC=C1Br MCULE-9918095021 [0,0,0,0,0,0|2,0,1]=3 210 B9R1.69 NC1=NC(=O)NC=C1Cl MCULE-2268188970 [0,0,0,0,0,0|2,0,1]=3 211 B9R1.69 NC1=NC(=O)NC=C1F MCULE-7094058995 [0,0,0,0,0,0|2,0,1]=3 212 B9R1.69 NC1=NC(=O)NC=C1I MCULE-7464214392 [0,0,0,0,0,0|2,0,1]=3 213 B9R1.69 NC1=NC(=O)NCC1=O MCULE-2660856699 [0,0,0,0,0,0|2,0,2]=4 214 B9R1.69 NC1=NC=C(NC1=O)Br MCULE-9847766852 [0,0,0,0,0,0|4,0,0]=4 215 B9R1.69 NC1=NNC(=O)NC1=O MCULE-3067333649 [0,0,0,0,0,0|2,0,0]=2 216 B9R1.69 NC1C=NC(=O)NC1=O MCULE-1490641488 [0,0,0,0,0,0|1,0,2]=3 217 B9R1.69 NC1CCC(=O)NC1=O MCULE-4373046338 [0,0,0,0,0,0|2,0,2]=4 218 B9R1.69 NC1CCC(=O)NC1=O MCULE-5761090335 [0,0,0,0,0,0|2,0,2]=4 219 B9R1.69 NC1CCC(=O)NC1=O MCULE-6512527532 [0,0,0,0,0,0|2,0,2]=4 220 B9R1.69 NC1NC(=O)NC=C1F MCULE-6799586428 [0,0,0,0,0,0|2,0,1]=3 221 B9R1.69 NN1C=CC(=O)NC1=O MCULE-6452806318 [0,0,0,0,0,0|3,0,0]=3 222 B9R1.69 N[C@@H]1CCC(=O)NC1=O MCULE-2259559652 [0,0,0,0,0,0|2,0,2]=4 223 B9R1.69 N[C@@H]1CCC(=O)NC1=O MCULE-5099911990 [0,0,0,0,0,0|2,0,2]=4 224 B9R1.69 N[C@@H]1CCC(=O)NC1=O MCULE-5834100164 [0,0,0,0,0,0|2,0,2]=4 225 B9R1.69 N[C@@H]1CCC(=O)NC1=O MCULE-9198243816 [0,0,0,0,0,0|2,0,2]=4 226 B9R1.69 N[C@H]1CCC(=O)NC1=O MCULE-2839925566 [0,0,0,0,0,0|2,0,2]=4 227 B9R1.69 N[C@H]1CCC(=O)NC1=O MCULE-4993857257 [0,0,0,0,0,0|2,0,2]=4 228 B9R1.69 N[C@H]1CCC(=O)NC1=O MCULE-5773933419 [0,0,0,0,0,0|2,0,2]=4 229 B9R1.69 N[C@H]1CCC(=O)NC1=O MCULE-7730306323 [0,0,0,0,0,0|2,0,2]=4 230 B9R1.69 O=C1C=C(C(=CN1)Br)Br MCULE-7608477571 [0,0,0,0,0,0|3,0,0]=3 231 B9R1.69 O=C1C=C(C(=CN1)Br)Cl MCULE-9807316455 [0,0,0,0,0,0|3,0,0]=3 232 B9R1.69 O=C1C=C(C(=CN1)Br)F MCULE-7030715609 [0,0,0,0,0,0|3,0,0]=3 233 B9R1.69 O=C1C=C(C(=CN1)Cl)Br MCULE-2131702864 [0,0,0,0,0,0|3,0,0]=3 234 B9R1.69 O=C1C=C(C(=CN1)Cl)Cl MCULE-6667509474 [0,0,0,0,0,0|3,0,0]=3 235 B9R1.69 O=C1C=C(C(=CN1)Cl)I MCULE-6044450800 [0,0,0,0,0,0|3,0,0]=3 236 B9R1.69 O=C1C=C(C(=CN1)Cl)O MCULE-3767139404 [0,0,0,0,0,0|2,0,1]=3 237 B9R1.69 O=C1C=C(C(=CN1)F)O MCULE-2590440873 [0,0,0,0,0,0|2,0,1]=3 238 B9R1.69 O=C1C=C(C(=CN1)I)Cl MCULE-2838518918 [0,0,0,0,0,0|3,0,0]=3 239 B9R1.69 O=C1C=C(C(=NN1)Cl)Cl MCULE-1037002675 [0,0,0,0,0,0|4,0,0]=4 240 B9R1.69 O=C1C=C(NC=C1Br)Cl MCULE-5060506861 [0,0,0,0,0,0|3,0,0]=3 241 B9R1.69 O=C1C=CC(=C(N1)Br)Cl MCULE-2299972105 [0,0,0,0,0,0|3,0,0]=3 242 B9R1.69 O=C1C=CC(=C(N1)Br)F MCULE-7102970752 [0,0,0,0,0,0|3,0,0]=3 243 B9R1.69 O=C1C=CC(=C(N1)Cl)Cl MCULE-1681345436 [0,0,0,0,0,0|3,0,0]=3 244 B9R1.69 O=C1C=CC(=C(N1)I)Br MCULE-3011078994 [0,0,0,0,0,0|3,0,0]=3 245 B9R1.69 O=C1C=CC(=O)C(=C1)Br MCULE-5586115628 [0,0,0,0,0,0|4,0,0]=4 246 B9R1.69 O=C1C=CC(=O)C(=C1)Cl MCULE-1579895781 [0,0,0,0,0,0|4,0,0]=4 247 B9R1.69 O=C1C=CC(=O)C(=C1)I MCULE-1220508693 [0,0,0,0,0,0|4,0,0]=4 248 B9R1.69 O=C1CCC(C(=O)N1)Br MCULE-2957692520 [0,0,0,0,0,0|2,0,2]=4 249 B9R1.69 O=C1N=C(C(=CN1)Br)Br MCULE-2653404573 [0,0,0,0,0,0|2,0,1]=3 250 B9R1.69 O=C1NC(=CC=C1Cl)Br MCULE-7002386572 [0,0,0,0,0,0|3,0,0]=3 251 B9R1.69 O=C1NC(=CC=C1Cl)Cl MCULE-9076841848 [0,0,0,0,0,0|3,0,0]=3 252 B9R1.69 O=C1NC(=CC=C1I)Cl MCULE-6248898641 [0,0,0,0,0,0|3,0,0]=3 253 B9R1.69 O=C1NC(=CC=C1O)Cl MCULE-7098135447 [0,0,0,0,0,0|3,0,0]=3 254 B9R1.69 O=C1NC(=CN=C1Cl)Br MCULE-5709550762 [0,0,0,0,0,0|4,0,0]=4 255 B9R1.69 O=C1NC(=NC=C1Cl)Cl MCULE-6600443230 [0,0,0,0,0,0|2,0,1]=3 256 B9R1.69 O=C1NC(=NC=C1F)Cl MCULE-8340050328 [0,0,0,0,0,0|2,0,1]=3 257 B9R1.69 O=C1NC(=NC=C1I)Cl MCULE-3863853934 [0,0,0,0,0,0|2,0,1]=3 258 B9R1.69 O=C1NC(=S)N=CC1F MCULE-3256673014 [0,0,0,0,0,0|1,1,2]=4 259 B9R1.69 O=C1NC(=S)NC=C1F MCULE-1640996146 [0,0,0,0,0,0|1,1,0]=2 260 B9R1.69 O=C1NC(=S)NC=C1I MCULE-9040932930 [0,0,0,0,0,0|1,1,0]=2 261 B9R1.69 O=C1NC=C(C(=O)N1)Br MCULE-6639028202 [0,0,0,0,0,0|1,0,0]=1 262 B9R1.69 O=C1NC=C(C(=O)N1)Cl MCULE-3005578323 [0,0,0,0,0,0|1,0,0]=1 263 B9R1.69 O=C1NC=C(C(=O)N1)F MCULE-6338086431 [0,0,0,0,0,0|1,0,0]=1 264 B9R1.69 O=C1NC=C(C(=O)N1)I MCULE-9099154084 [0,0,0,0,0,0|1,0,0]=1 265 B9R1.69 O=C1NC=C(C(=S)N1)F MCULE-5051283182 [0,0,0,0,0,0|1,1,0]=2 266 B9R1.69 O=C1NCC(=O)C(=O)N1 MCULE-3608761998 [0,0,0,0,0,0|1,0,1]=2 267 B9R1.69 O=C1NCC(C(=O)N1)Br MCULE-1399084699 [0,0,0,0,0,0|1,0,2]=3 268 B9R1.69 O=C1NCC(C(=O)N1)Cl MCULE-3522626760 [0,0,0,0,0,0|1,0,2]=3 269 B9R1.69 O=C1NCC(C(=O)N1)F MCULE-3119054190 [0,0,0,0,0,0|1,0,2]=3 270 B9R1.69 O=C1NN=C(C(=O)N1)Br MCULE-9793204387 [0,0,0,0,0,0|2,0,0]=2 271 B9R1.69 O=C1NN=C(C(=O)N1)F MCULE-5496474813 [0,0,0,0,0,0|2,0,0]=2 272 B9R1.69 O=C1NN=C(C(=S)N1)Br MCULE-1298950946 [0,0,0,0,0,0|2,1,0]=3 273 B9R1.69 [NH3+]C1CCC(=O)NC1=O MCULE-8832573768 [0,0,0,0,0,0|2,0,2]=4 274 B8R1.3 CC1=CC=C(C=C1)Br MCULE-3947714986 [1,0,0,0,0,0|3,0,0]=4 275 B8R1.3 CC1=CC=C(C=C1)C MCULE-3769448716 [1,0,0,0,0,0|3,0,0]=4 276 B8R1.3 CC1=CC=C(C=C1)Cl MCULE-3493142781 [1,0,0,0,0,0|3,0,0]=4 277 B8R1.3 CC1=CC=C(C=C1)F MCULE-3973968945 [1,0,0,0,0,0|3,0,0]=4 278 B8R1.3 CC1=CC=C(C=C1)I MCULE-7374554905 [1,0,0,0,0,0|3,0,0]=4 279 B8R1.3 CC1=CC=C(C=C1)N MCULE-1635792225 [1,0,0,0,0,0|3,0,0]=4 280 B8R1.3 CC1=CC=C(C=C1)N MCULE-7953571381 [1,0,0,0,0,0|3,0,0]=4 281 B8R1.3 CC1=CC=C(C=C1)O MCULE-2287247927 [1,0,0,0,0,0|2,0,1]=4 282 B8R1.3 CC1=CC=C(C=C1)S MCULE-7745246721 [1,0,0,0,0,0|2,1,0]=4 283 B8R1.3 CC1=CC=C(C=C1)[S-] MCULE-1767331873 [1,0,0,0,0,0|2,1,0]=4 284 B8R1.3 CC1=CC=C(N=C1)Br MCULE-2173362876 [1,0,0,0,0,0|2,0,1]=4 285 B8R1.3 CC1=CC=C(N=C1)C MCULE-9408937494 [1,0,0,0,0,0|2,0,1]=4 286 B8R1.3 CC1=CC=C(N=C1)Cl MCULE-3579197712 [1,0,0,0,0,0|2,0,1]=4 287 B8R1.3 CC1=CC=C(N=C1)N MCULE-2974356721 [1,0,0,0,0,0|2,0,1]=4 288 B8R1.3 CC1=CCC(=O)CC1 MCULE-5396065385 [1,0,0,0,0,0|2,0,1]=4 289 B8R1.3 CC1=CN=C(C=C1)F MCULE-9636424027 [1,0,0,0,0,0|2,0,1]=4 290 B8R1.3 CC1=CN=C(C=C1)I MCULE-8141092198 [1,0,0,0,0,0|2,0,1]=4 291 B8R1.3 CC1=CN=C(C=C1)O MCULE-1035082824 [1,0,0,0,0,0|1,0,2]=4 292 B8R1.3 CC1=CN=C(C=C1)S MCULE-6251496159 [1,0,0,0,0,0|1,1,1]=4 293 B8R1.3 CC1=CN=C(N=C1)Br MCULE-4154234230 [1,0,0,0,0,0|1,0,2]=4 294 B8R1.3 CC1=CN=C(N=C1)C MCULE-9429734198 [1,0,0,0,0,0|1,0,2]=4 295 B8R1.3 CC1=CN=C(N=C1)Cl MCULE-2724633819 [1,0,0,0,0,0|1,0,2]=4 296 B8R1.3 CC1=CN=C(N=C1)Cl MCULE-5199447740 [1,0,0,0,0,0|1,0,2]=4 297 B8R1.3 CC1=CN=C(N=C1)F MCULE-1805790095 [1,0,0,0,0,0|1,0,2]=4 298 B8R1.3 CC1=CN=C(N=C1)I MCULE-6077065269 [1,0,0,0,0,0|1,0,2]=4 299 B8R1.3 CC1=CN=C(N=C1)N MCULE-8352264926 [1,0,0,0,0,0|1,0,2]=4 300 B8R1.3 CC1=CN=C(N=C1)O MCULE-3275510040 [1,0,0,0,0,0|0,0,3]=4 301 B8R1.3 CC1=CN=C(N=C1)O MCULE-7217047564 [1,0,0,0,0,0|0,0,3]=4 302 B8R1.3 CC1=CN=C(N=C1)S MCULE-5468887358 [1,0,0,0,0,0|0,1,2]=4 303 B8R1.3 CC1=CN=C(N=C1)S MCULE-7373819791 [1,0,0,0,0,0|0,1,2]=4 304 B8R1.3 CC1=CNC(=O)C=N1 MCULE-2679502239 [1,0,0,0,0,0|2,0,0]=3 305 B8R1.3 CC1=NNC(=O)C=C1 MCULE-2635221520 [1,0,0,0,0,0|2,0,0]=3 306 B8R1.3 CC1=NNC(=O)CC1 MCULE-3548202908 [1,0,0,0,0,0|2,0,1]=4 307 B8R1.3 NC1=CNC(=O)N=C1 MCULE-2442673142 [1,0,0,0,0,0|1,0,1]=3 308 B8R1.3 O=C1C=CC(=CN1)Br MCULE-5174732595 [1,0,0,0,0,0|2,0,0]=3 309 B8R1.3 O=C1C=CC(=CO1)Br MCULE-6339514817 [1,0,0,0,0,0|3,0,0]=4 310 B8R1.3 O=C1C=CC(=NN1)Cl MCULE-9091661850 [1,0,0,0,0,0|3,0,0]=4 311 B8R1.3 O=C1C=CC(=NN1)F MCULE-8050086590 [1,0,0,0,0,0|3,0,0]=4 312 B8R1.3 O=C1C=CC(=O)C=C1 MCULE-2576853438 [1,0,0,0,0,0|3,0,0]=4 313 B8R1.3 O=C1C=CC(=O)NN1 MCULE-5100178532 [1,0,0,0,0,0|3,0,0]=4 314 B8R1.3 O=C1C=NC(=CN1)F MCULE-6846208345 [1,0,0,0,0,0|3,0,0]=4 315 B8R1.3 O=C1C=NC(=CN1)I MCULE-6198334100 [1,0,0,0,0,0|3,0,0]=4 316 B8R1.3 O=C1CC=C(C=N1)Br MCULE-7996644847 [1,0,0,0,0,0|2,0,1]=4 317 B8R1.3 O=C1N=CC(=CN1)Br MCULE-9370622613 [1,0,0,0,0,0|1,0,1]=3 318 B8R1.3 O=C1N=CC(=CN1)F MCULE-6016921664 [1,0,0,0,0,0|1,0,1]=3 319 B8R1.3 O=C1N=CC(=CN1)O MCULE-9708220927 [1,0,0,0,0,0|1,0,1]=3 320 B8R1.3 S=C1N=CC(=CN1)Br MCULE-8961368283 [1,0,0,0,0,0|1,1,1]=4 321 B8R1.4 CC1=CC(=O)C=CO1 MCULE-4709385267 [1,0,0,0,0,0|3,0,0]=4 322 B8R1.4 CC1=CC(=O)NC=N1 MCULE-4546584000 [1,0,0,0,0,0|3,0,0]=4 323 B8R1.4 CC1=CC(=O)NN=C1 MCULE-4739919200 [1,0,0,0,0,0|3,0,0]=4 324 B8R1.4 CC1=CC=CC(=O)N1 MCULE-2763977381 [1,0,0,0,0,0|2,0,0]=3 325 B8R1.4 CC1=CC=CC(=S)N1 MCULE-5057123376 [1,0,0,0,0,0|2,1,0]=4 326 B8R1.4 CC1=CC=NC(=O)C1 MCULE-4882777367 [1,0,0,0,0,0|2,0,1]=4 327 B8R1.4 CC1=CC=NC(=O)N1 MCULE-6541642341 [1,0,0,0,0,0|1,0,1]=3 328 B8R1.4 CC1=NC(=N)C=CN1 MCULE-6773374255 [1,0,0,0,0,0|2,0,1]=4 329 B8R1.4 CC1=NC(=N)C=CN1 MCULE-6777516279 [1,0,0,0,0,0|2,0,1]=4 330 B8R1.4 CC1=NC(=O)C=CN1 MCULE-5044952802 [1,0,0,0,0,0|1,0,1]=3 331 B8R1.4 CC1=NC(=O)NC=C1 MCULE-2973571138 [1,0,0,0,0,0|1,0,1]=3 332 B8R1.4 NC1=CC(=O)NN=C1 MCULE-1959597477 [1,0,0,0,0,0|3,0,0]=4 333 B8R1.4 NC1=CN=CC(=O)N1 MCULE-3785264411 [1,0,0,0,0,0|3,0,0]=4 334 B8R1.4 NC1=NC(=O)NC=C1 MCULE-4426252594 [1,0,0,0,0,0|1,0,1]=3 335 B8R1.4 NC1=NC(=O)NC=C1 MCULE-5444602171 [1,0,0,0,0,0|1,0,1]=3 336 B8R1.4 NC1=NC(=O)NN=C1 MCULE-5047415100 [1,0,0,0,0,0|2,0,1]=4 337 B8R1.4 NC1=NC=CC(=O)N1 MCULE-7474139826 [1,0,0,0,0,0|1,0,1]=3 338 B8R1.4 NC1=NC=NC(=O)N1 MCULE-2741288744 [1,0,0,0,0,0|2,0,1]=4 339 B8R1.4 O=C1C=C(C=CN1)F MCULE-3668200526 [1,0,0,0,0,0|2,0,0]=3 340 B8R1.4 O=C1C=C(C=CN1)I MCULE-3087331274 [1,0,0,0,0,0|2,0,0]=3 341 B8R1.4 O=C1C=C(C=CO1)Br MCULE-4630205017 [1,0,0,0,0,0|3,0,0]=4 342 B8R1.4 O=C1C=C(C=CO1)Cl MCULE-6319657516 [1,0,0,0,0,0|3,0,0]=4 343 B8R1.4 O=C1C=C(C=NN1)Cl MCULE-3362096457 [1,0,0,0,0,0|3,0,0]=4 344 B8R1.4 O=C1C=C(C=NN1)I MCULE-4212498492 [1,0,0,0,0,0|3,0,0]=4 345 B8R1.4 O=C1C=C(NC=N1)Br MCULE-2673426547 [1,0,0,0,0,0|3,0,0]=4 346 B8R1.4 O=C1C=CC=C(N1)Cl MCULE-5990074384 [1,0,0,0,0,0|2,0,0]=3 347 B8R1.4 O=C1C=CC=C(N1)I MCULE-7962501587 [1,0,0,0,0,0|2,0,0]=3 348 B8R1.4 O=C1C=CNC(=O)C1 MCULE-7422070219 [1,0,0,0,0,0|1,0,0]=2 349 B8R1.4 O=C1C=CNC(=O)O1 MCULE-3791093466 [1,0,0,0,0,0|1,0,0]=2 350 B8R1.4 O=C1C=CNC(=[Se])N1 MCULE-7954757005 [1,0,0,0,0,0|0,1,0]=2 351 B8R1.4 O=C1C=COC(=O)C1 MCULE-9289887221 [1,0,0,0,0,0|2,0,0]=3 352 B8R1.4 O=C1CC(=O)NC=N1 MCULE-1818472509 [1,0,0,0,0,0|2,0,0]=3 353 B8R1.4 O=C1CCCC(=O)N1 MCULE-7505150579 [1,0,0,0,0,0|1,0,2]=4 354 B8R1.4 O=C1CCNC(=O)C1 MCULE-7662080105 [1,0,0,0,0,0|1,0,2]=4 355 B8R1.4 O=C1CCNC(=O)N1 MCULE-8986910982 [1,0,0,0,0,0|0,0,2]=3 356 B8R1.4 O=C1CCNC(=O)O1 MCULE-8298722634 [1,0,0,0,0,0|1,0,2]=4 357 B8R1.4 O=C1CNCC(=O)N1 MCULE-2684405909 [1,0,0,0,0,0|2,0,1]=4 358 B8R1.4 O=C1CNCC(=O)N1 MCULE-8918860650 [1,0,0,0,0,0|2,0,1]=4 359 B8R1.4 O=C1COCC(=O)N1 MCULE-2640203723 [1,0,0,0,0,0|2,0,1]=4 360 B8R1.4 O=C1CSCC(=O)N1 MCULE-5124635458 [1,0,0,0,0,0|2,0,1]=4 361 B8R1.4 O=C1N=C(C=CN1)Cl MCULE-6239849546 [1,0,0,0,0,0|1,0,1]=3 362 B8R1.4 O=C1N=CCC(=S)N1 MCULE-8510009070 [1,0,0,0,0,0|0,1,2]=4 363 B8R1.4 O=C1N=CNC(=O)N1 MCULE-2256730820 [1,0,0,0,0,0|1,0,0]=2 364 B8R1.4 O=C1NCNC(=O)N1 MCULE-7478557250 [1,0,0,0,0,0|1,0,1]=3 365 B8R1.4 O=C1NN=CC(=S)N1 MCULE-8520073366 [1,0,0,0,0,0|1,1,0]=3 366 B8R1.4 S=C1C=NNC(=S)N1 MCULE-7897746903 [1,0,0,0,0,0|1,2,0]=4 367 B8R1.4 S=C1N=CC=C(N1)Cl MCULE-1741017791 [1,0,0,0,0,0|1,1,1]=4 368 B8R1.5 CC1=C(C=CC=C1)Br MCULE-5867809054 [1,0,0,0,0,0|3,0,0]=4 369 B8R1.5 CC1=C(C=CC=C1)Cl MCULE-2832835864 [1,0,0,0,0,0|3,0,0]=4 370 B8R1.5 CC1=C(C=CC=C1)F MCULE-4058961323 [1,0,0,0,0,0|3,0,0]=4 371 B8R1.5 CC1=C(C=CC=C1)I MCULE-5226243046 [1,0,0,0,0,0|3,0,0]=4 372 B8R1.5 CC1=C(C=CC=C1)N MCULE-1459156774 [1,0,0,0,0,0|3,0,0]=4 373 B8R1.5 CC1=C(C=CC=C1)N MCULE-2695214373 [1,0,0,0,0,0|3,0,0]=4 374 B8R1.5 CC1=C(C=CC=C1)O MCULE-4124485112 [1,0,0,0,0,0|2,0,1]=4 375 B8R1.5 CC1=C(C=CC=C1)S MCULE-6476564431 [1,0,0,0,0,0|2,1,0]=4 376 B8R1.5 CC1=C(C=CN=C1)Br MCULE-4182598284 [1,0,0,0,0,0|2,0,1]=4 377 B8R1.5 CC1=C(C=CN=C1)Br MCULE-5097258045 [1,0,0,0,0,0|2,0,1]=4 378 B8R1.5 CC1=C(C=CN=C1)Br MCULE-8939501056 [1,0,0,0,0,0|2,0,1]=4 379 B8R1.5 CC1=C(C=CN=C1)Cl MCULE-2009988820 [1,0,0,0,0,0|2,0,1]=4 380 B8R1.5 CC1=C(C=CN=C1)F MCULE-3017421856 [1,0,0,0,0,0|2,0,1]=4 381 B8R1.5 CC1=C(C=CN=C1)F MCULE-6112439648 [1,0,0,0,0,0|2,0,1]=4 382 B8R1.5 CC1=C(C=CN=C1)N MCULE-1868817412 [1,0,0,0,0,0|2,0,1]=4 383 B8R1.5 CC1=C(C=CN=C1)N MCULE-8559651431 [1,0,0,0,0,0|2,0,1]=4 384 B8R1.5 CC1=C(C=CN=C1)O MCULE-9196997081 [1,0,0,0,0,0|1,0,2]=4 385 B8R1.5 CC1=C(C=CN=C1)S MCULE-3929338586 [1,0,0,0,0,0|1,1,1]=4 386 B8R1.5 CC1=C(C=C[NH+]=C1)Cl MCULE-4082853098 [1,0,0,0,0,0|2,0,1]=4 387 B8R1.5 CC1=C(N=CC=C1)C MCULE-2317966331 [1,0,0,0,0,0|2,0,1]=4 388 B8R1.5 CC1=C(N=CC=C1)Cl MCULE-5973332807 [1,0,0,0,0,0|2,0,1]=4 389 B8R1.5 CC1=C(N=CC=C1)N MCULE-4505556012 [1,0,0,0,0,0|2,0,1]=4 390 B8R1.5 CC1=C(N=CC=C1)S MCULE-4219810898 [1,0,0,0,0,0|1,1,1]=4 391 B8R1.5 CC1=C(N=CN=C1)C MCULE-3773296127 [1,0,0,0,0,0|1,0,2]=4 392 B8R1.5 CC1=C(N=CN=C1)C MCULE-5808444610 [1,0,0,0,0,0|1,0,2]=4 393 B8R1.5 CC1=CC=CC=C1C MCULE-2208963094 [1,0,0,0,0,0|3,0,0]=4 394 B8R1.5 CC1=CC=CC=C1N MCULE-4254037883 [1,0,0,0,0,0|3,0,0]=4 395 B8R1.5 CC1=CC=CC=C1[O-] MCULE-3283477199 [1,0,0,0,0,0|2,0,1]=4 396 B8R1.5 CC1=CC=CN=C1Br MCULE-1253867272 [1,0,0,0,0,0|2,0,1]=4 397 B8R1.5 CC1=CC=CN=C1F MCULE-2317873361 [1,0,0,0,0,0|2,0,1]=4 398 B8R1.5 CC1=CC=CN=C1I MCULE-6176909597 [1,0,0,0,0,0|2,0,1]=4 399 B8R1.5 CC1=CC=CN=C1N MCULE-4786050489 [1,0,0,0,0,0|2,0,1]=4 400 B8R1.5 CC1=CC=CNC1=O MCULE-8735614074 [1,0,0,0,0,0|1,0,0]=2 401 B8R1.5 CC1=CC=NC=C1C MCULE-3228489734 [1,0,0,0,0,0|2,0,1]=4 402 B8R1.5 CC1=CC=NNC1=O MCULE-4615705346 [1,0,0,0,0,0|2,0,0]=3 403 B8R1.5 CC1=CCCCC1=O MCULE-6245248136 [1,0,0,0,0,0|2,0,1]=4 404 B8R1.5 CC1=CN=CN=C1Br MCULE-7064716249 [1,0,0,0,0,0|1,0,2]=4 405 B8R1.5 CC1=CN=CN=C1Cl MCULE-8089371585 [1,0,0,0,0,0|1,0,2]=4 406 B8R1.5 CC1=CN=CN=C1Cl MCULE-9556036449 [1,0,0,0,0,0|1,0,2]=4 407 B8R1.5 CC1=CN=CN=C1N MCULE-6568931864 [1,0,0,0,0,0|1,0,2]=4 408 B8R1.5 CC1=CN=CN=C1N MCULE-8966913634 [1,0,0,0,0,0|1,0,2]=4 409 B8R1.5 CC1=CN=CN=C1O MCULE-8835089065 [1,0,0,0,0,0|0,0,3]=4 410 B8R1.5 CC1=NC=CNC1=O MCULE-8764563866 [1,0,0,0,0,0|2,0,0]=3 411 B8R1.5 CC1=NNC=NC1=S MCULE-3210020545 [1,0,0,0,0,0|1,1,1]=4 412 B8R1.5 CN1C=CC=CC1=O MCULE-8858407794 [1,0,0,0,0,0|3,0,0]=4 413 B8R1.5 CN1C=CC=NC1=O MCULE-8455265922 [1,0,0,0,0,0|2,0,1]=4 414 B8R1.5 CN1C=NC=CC1=O MCULE-8061844419 [1,0,0,0,0,0|2,0,1]=4 415 B8R1.5 FC1=CC=CNC1=S MCULE-9261750723 [1,0,0,0,0,0|2,1,0]=4 416 B8R1.5 NC1=CC=CNC1=O MCULE-2705834056 [1,0,0,0,0,0|2,0,0]=3 417 B8R1.5 NC1=CC=NNC1=O MCULE-8399809124 [1,0,0,0,0,0|3,0,0]=4 418 B8R1.5 NC1=CN=CNC1=O MCULE-3512580009 [1,0,0,0,0,0|1,0,1]=3 419 B8R1.5 NC1=CN=CNC1=S MCULE-8218091036 [1,0,0,0,0,0|1,1,1]=4 420 B8R1.5 NC1=CNC=NC1=O MCULE-8037468633 [1,0,0,0,0,0|1,0,1]=3 421 B8R1.5 NC1=NC=CNC1=O MCULE-6254794637 [1,0,0,0,0,0|3,0,0]=4 422 B8R1.5 O=C1C=COC=C1O MCULE-7801160559 [1,0,0,0,0,0|3,0,0]=4 423 B8R1.5 O=C1N=CNC=C1O MCULE-7853986404 [1,0,0,0,0,0|1,0,1]=3 424 B8R1.5 O=C1NC=CN=C1Cl MCULE-6701443640 [1,0,0,0,0,0|3,0,0]=4 425 B8R1.5 O=C1NC=CNC1=O MCULE-2590826589 [1,0,0,0,0,0|3,0,0]=4 426 B8R1.5 O=C1NC=NC=C1Br MCULE-1914932585 [1,0,0,0,0,0|1,0,1]=3 427 B8R1.5 O=C1NC=NC=C1Br MCULE-4797439815 [1,0,0,0,0,0|1,0,1]=3 428 B8R1.5 O=C1NC=NC=C1Br MCULE-8279175534 [1,0,0,0,0,0|1,0,1]=3 429 B8R1.5 O=C1NC=NC=C1O MCULE-6640057101 [1,0,0,0,0,0|1,0,1]=3 430 B8R1.5 O=C1NCCC=C1Br MCULE-7421402456 [1,0,0,0,0,0|2,0,1]=4 431 B8R1.5 O=C1NCCC=C1Cl MCULE-9026882449 [1,0,0,0,0,0|2,0,1]=4 432 B8R1.5 O=C1NN=CC=C1Br MCULE-3017952463 [1,0,0,0,0,0|3,0,0]=4 433 B8R1.5 O=C1NN=CC=C1Br MCULE-7863801387 [1,0,0,0,0,0|3,0,0]=4 434 B8R1.5 O=C1OC=CC=C1Br MCULE-5287176026 [1,0,0,0,0,0|3,0,0]=4 435 B8R1.5 O=C1OC=CC=C1O MCULE-9890470217 [1,0,0,0,0,0|3,0,0]=4 436 B10R1.22 CC1=C(C(=CC(=O)N1)O)C MCULE-3546454146 [0,1,0,0,0,0|1,0,1]=3 437 B10R1.22 CC1=C(C(=CC(=O)O1)O)C MCULE-9746388385 [0,1,0,0,0,0|2,0,1]=4 438 B10R1.22 CC1=C(C(=O)NC(=N1)N)C MCULE-8017907361 [0,1,0,0,0,0|1,0,1]=3 439 B10R1.22 CC1=C(C(=O)NC(=O)N1)Br MCULE-9555073495 [0,1,0,0,0,0|1,0,0]=2 440 B10R1.22 CC1=C(C(=O)NC(=O)N1)Cl MCULE-3888854401 [0,1,0,0,0,0|1,0,0]=2 441 B10R1.22 CC1=C(C(=O)NC(=O)N1)I MCULE-2631615338 [0,1,0,0,0,0|1,0,0]=2 442 B10R1.22 CC1=C(C(=O)NC(=O)N1)N MCULE-1788753048 [0,1,0,0,0,0|1,0,0]=2 443 B10R1.22 CC1=C(C(=O)NC(=O)N1)O MCULE-7766529114 [0,1,0,0,0,0|1,0,0]=2 444 B10R1.22 CC1=C(C(=O)NC(=S)N1)C MCULE-7620589455 [0,1,0,0,0,0|0,1,0]=2 445 B10R1.22 CC1=C(C(NC(=O)S1)C)C MCULE-2173467065 [0,1,0,0,0,0|2,0,1]=4 446 B10R1.22 CC1=C(N=C(NC1=O)S)N MCULE-1772199181 [0,1,0,0,0,0|0,1,1]=3 447 B10R1.22 CC1=C(NC(=O)C=C1O)Cl MCULE-2948701525 [0,1,0,0,0,0|1,0,1]=3 448 B10R1.22 CC1=C(NC(=O)N=C1N)F MCULE-7465786440 [0,1,0,0,0,0|1,0,1]=3 449 B10R1.22 CC1=C(NC(=O)NC1=O)Cl MCULE-9699231079 [0,1,0,0,0,0|0,0,0]=1 450 B10R1.22 CC1=C(NC(=O)NC1=O)N MCULE-3180991385 [0,1,0,0,0,0|0,0,0]=1 451 B10R1.22 CC1=CC(=C(C(=O)N1)C)O MCULE-2746434164 [0,1,0,0,0,0|2,0,0]=3 452 B10R1.22 CC1=CC(=C(C(=O)N1)N)C MCULE-3042119773 [0,1,0,0,0,0|3,0,0]=4 453 B10R1.22 CC1=CC(=C(C(=O)O1)C)O MCULE-5746210594 [0,1,0,0,0,0|3,0,0]=4 454 B10R1.22 CC1=CC(=O)C(=C(N1)C)C MCULE-7141390274 [0,1,0,0,0,0|2,0,0]=3 455 B10R1.22 CC1=CC(=O)N(C(=O)N1)C MCULE-3688752925 [0,1,0,0,0,0|3,0,0]=4 456 B10R1.22 CC1=CC(=O)N(C(=S)N1)C MCULE-5783048669 [0,1,0,0,0,0|3,0,0]=4 457 B10R1.22 CC1=CC(=O)NC(=C1Br)C MCULE-3594651484 [0,1,0,0,0,0|3,0,0]=4 458 B10R1.22 CC1=CC(=O)NC(=O)N1C MCULE-4776814426 [0,1,0,0,0,0|2,0,0]=3 459 B10R1.22 CC1=NC(=C(C(=O)N1)C)Cl MCULE-5900147720 [0,1,0,0,0,0|1,0,1]=3 460 B10R1.22 CC1=NC(=C(C(=O)N1)C)O MCULE-6236682380 [0,1,0,0,0,0|1,0,1]=3 461 B10R1.22 CC1=NC(=C(C(=O)N1)Cl)O MCULE-4468060310 [0,1,0,0,0,0|2,0,1]=4 462 B10R1.22 CC1=NC(=O)C(=C(N1)C)F MCULE-5714738648 [0,1,0,0,0,0|2,0,1]=4 463 B10R1.22 CC1=NC(=O)C(=C(N1)Cl)F MCULE-4647805655 [0,1,0,0,0,0|2,0,1]=4 464 B10R1.22 CC1=NC(=O)C(=C(N1)N)N MCULE-1678971295 [0,1,0,0,0,0|2,0,1]=4 465 B10R1.22 CC1=NC(=O)C(=C(N1)O)F MCULE-5847090975 [0,1,0,0,0,0|2,0,1]=4 466 B10R1.22 CC1=NC(=O)NC(=C1Br)C MCULE-2601002419 [0,1,0,0,0,0|2,0,1]=4 467 B10R1.22 CC1=NC(=S)NC(=O)C1C MCULE-9429260760 [0,1,0,0,0,0|0,1,2]=4 468 B10R1.22 CC1C(=O)N=C(NC1=O)N MCULE-5834211046 [0,1,0,0,0,0|1,0,2]=4 469 B10R1.22 CC1C(=O)NC(=O)N=C1Cl MCULE-6395247321 [0,1,0,0,0,0|0,0,2]=3 470 B10R1.22 CC1C(=O)NC(=O)NC1=O MCULE-7961229332 [0,1,0,0,0,0|0,0,1]=2 471 B10R1.22 CN1C(=O)C=C(NC1=O)Cl MCULE-6595286325 [0,1,0,0,0,0|3,0,0]=4 472 B10R1.22 CN1C(=O)C=C(NC1=O)N MCULE-3869126153 [0,1,0,0,0,0|3,0,0]=4 473 B10R1.22 CN1C(=O)C=C(NC1=O)O MCULE-8037018718 [0,1,0,0,0,0|2,0,1]=4 474 B10R1.22 CN1C(=O)CC(=O)NC1=O MCULE-7478193411 [0,1,0,0,0,0|2,0,0]=3 475 B10R1.22 CN1C(=O)CC(=O)NC1=S MCULE-8355052023 [0,1,0,0,0,0|2,0,0]=3 476 B10R1.22 CN1C(=O)N=C(NC1=O)S MCULE-6720161421 [0,1,0,0,0,0|1,1,1]=4 477 B10R1.22 CN1C(=O)NC(=O)C=C1Cl MCULE-7825661987 [0,1,0,0,0,0|2,0,0]=3 478 B10R1.22 CN1C(=O)NC(=O)C=C1N MCULE-3639154142 [0,1,0,0,0,0|2,0,0]=3 479 B10R1.22 CN1C(=S)NC(=O)C=C1N MCULE-8244560952 [0,1,0,0,0,0|2,1,0]=4 480 B10R1.22 NC1=C(C(=O)NC(=O)N1)Br MCULE-8672880869 [0,1,0,0,0,0|1,0,0]=2 481 B10R1.22 NC1=C(C(=O)NC(=O)N1)I MCULE-7637696964 [0,1,0,0,0,0|1,0,0]=2 482 B10R1.22 NC1=C(C(=O)NC(=O)N1)N MCULE-4581359752 [0,1,0,0,0,0|1,0,0]=2 483 B10R1.22 NC1=C(C(=O)NC(=S)N1)N MCULE-2878751510 [0,1,0,0,0,0|1,1,0]=3 484 B10R1.22 NC1=C(C(=S)NC(=S)N1)N MCULE-1211544693 [0,1,0,0,0,0|1,2,0]=4 485 B10R1.22 NC1=NC(=O)C(=C(N1)Cl)Br MCULE-4614433472 [0,1,0,0,0,0|2,0,1]=4 486 B10R1.22 NC1=NC(=O)C(=C(N1)Cl)I MCULE-7938551164 [0,1,0,0,0,0|2,0,1]=4 487 B10R1.22 NC1C(=O)NC(=O)NC1=O MCULE-8127541765 [0,1,0,0,0,0|1,0,1]=3 488 B10R1.22 NC1C(=O)NC(=O)NC1=S MCULE-6414499413 [0,1,0,0,0,0|1,0,1]=3 489 B10R1.22 NC1NC(=O)NC(=O)C1I MCULE-7259635650 [0,1,0,0,0,0|1,0,2]=4 490 B10R1.22 O=C1NC(=O)C(=C(N1)Cl)Br MCULE-3569046173 [0,1,0,0,0,0|1,0,0]=2 491 B10R1.22 O=C1NC(=O)C(=C(N1)Cl)Cl MCULE-8068256823 [0,1,0,0,0,0|1,0,0]=2 492 B10R1.22 O=C1NC(=O)C(=C(N1)Cl)I MCULE-4077077518 [0,1,0,0,0,0|1,0,0]=2 493 B10R1.22 O=C1NC(=O)C(=O)C(=O)N1 MCULE-9690188027 [0,1,0,0,0,0|1,0,0]=2 494 B10R1.22 O=C1NC(=O)C(C(=O)N1)Br MCULE-2631970050 [0,1,0,0,0,0|1,0,1]=3 495 B10R1.22 O=C1NC(=O)C(C(N1)O)F MCULE-8372362265 [0,1,0,0,0,0|1,0,2]=4 496 B10R1.22 [NH3+]C1=C(NC(=S)NC1=O)[O-] MCULE-2685623938 [0,1,0,0,0,0|1,1,0]=3 497 B10R1.25 C#CC1=CN=C(NC1=O)O MCULE-7896618548 [0,1,0,0,0,0|0,0,3]=4 498 B10R1.25 C#CC1=CNC(=O)N=C1N MCULE-5447625605 [0,1,0,0,0,0|1,0,2]=4 499 B10R1.25 C=CC1=C(NC(=O)N=C1)N MCULE-5652210899 [0,1,0,0,0,0|1,0,2]=4 500 B10R1.25 C=CC1=CNC(=O)NC1=O MCULE-6275433808 [0,1,0,0,0,0|0,0,1]=2 501 B10R1.25 C=CN1C=CC(=O)NC1=O MCULE-2627357350 [0,1,0,0,0,0|2,0,1]=4 502 B10R1.25 CC1=CC(=O)C(=CN1)C=O MCULE-2064396181 [0,1,0,0,0,0|2,0,1]=4 503 B10R1.25 CC1=CC(=O)C(=NN1)CO MCULE-2370151007 [0,1,0,0,0,0|3,0,0]=4 504 B10R1.25 CC1=CC=C(C(=O)N1)C#N MCULE-8586842661 [0,1,0,0,0,0|2,0,1]=4 505 B10R1.25 CC1=CC=C(C(=O)N1)CN MCULE-1957647342 [0,1,0,0,0,0|2,0,0]=3 506 B10R1.25 CC1=CC=C(C(=O)N1)CN MCULE-2336990661 [0,1,0,0,0,0|2,0,0]=3 507 B10R1.25 CC1=CC=C(C(=O)N1)CN MCULE-3359434666 [0,1,0,0,0,0|2,0,0]=3 508 B10R1.25 CC1=NC(=O)C(=CN1)CO MCULE-6660169688 [0,1,0,0,0,0|1,0,1]=3 509 B10R1.25 CCC1=CNC(=O)NC1=O MCULE-1403338036 [0,1,0,0,0,0|0,0,0]=1 510 B10R1.25 CCC1=CNC(=S)NC1=O MCULE-5198506906 [0,1,0,0,0,0|0,1,0]=2 511 B10R1.25 CCC1=NNC(=O)C=C1C MCULE-2617888599 [0,1,0,0,0,0|3,0,0]=4 512 B10R1.25 CCC1=NNC(=O)NC1=O MCULE-9997971509 [0,1,0,0,0,0|1,0,0]=2 513 B10R1.25 CCC1=NNC(=S)NC1=O MCULE-5256392647 [0,1,0,0,0,0|1,1,0]=3 514 B10R1.25 CCC1CNC(=O)CC1=O MCULE-1470997152 [0,1,0,0,0,0|1,0,2]=4 515 B10R1.25 CCN1C=CC(=O)NC1=O MCULE-5601838024 [0,1,0,0,0,0|2,0,0]=3 516 B10R1.25 CCN1CCC(=O)NC1=O MCULE-4286048959 [0,1,0,0,0,0|2,0,1]=4 517 B10R1.25 CNC1=CNC(=O)NC1=O MCULE-7197367879 [0,1,0,0,0,0|0,0,0]=1 518 B10R1.25 CNC1=NNC(=O)NC1=O MCULE-1745121001 [0,1,0,0,0,0|1,0,0]=2 519 B10R1.25 CNC1=NNC(=O)NC1=O MCULE-5399825497 [0,1,0,0,0,0|1,0,0]=2 520 B10R1.25 CNC1CCC(=O)NC1=O MCULE-2479123541 [0,1,0,0,0,0|1,0,2]=4 521 B10R1.25 CNC1CCC(=O)NC1=O MCULE-9198191101 [0,1,0,0,0,0|1,0,2]=4 522 B10R1.25 COC1=CC=C(NC1=O)Br MCULE-3891884509 [0,1,0,0,0,0|2,0,0]=3 523 B10R1.25 COC1=CNC(=O)C=C1Br MCULE-2073884860 [0,1,0,0,0,0|2,0,0]=3 524 B10R1.25 CSC1=NNC(=O)NC1=O MCULE-9991928243 [0,1,0,0,0,0|1,0,0]=2 525 B10R1.25 C[Se]C1=CNC(=O)NC1=O MCULE-7379851342 [0,1,0,0,0,0|0,0,0]=1 526 B10R1.25 N#CC1=CNC(=NC1=O)N MCULE-8682615876 [0,1,0,0,0,0|1,0,2]=4 527 B10R1.25 N#CC1=CNC(=O)N=C1N MCULE-6407322719 [0,1,0,0,0,0|1,0,2]=4 528 B10R1.25 N#CC1=CNC(=O)NC1=O MCULE-9074750047 [0,1,0,0,0,0|0,0,1]=2 529 B10R1.25 N#CC1CNC(=O)NC1=O MCULE-7857002172 [0,1,0,0,0,0|0,0,3]=4 530 B10R1.25 NC1=C(C=NC(=O)N1)C=O MCULE-6459384186 [0,1,0,0,0,0|1,0,2]=4 531 B10R1.25 NCC1=CNC(=O)NC1=O MCULE-3166341604 [0,1,0,0,0,0|0,0,0]=1 532 B10R1.25 NCC1=CNC(=O)NC1=O MCULE-7365523007 [0,1,0,0,0,0|0,0,0]=1 533 B10R1.25 NCC1=NN=C(NC1=O)N MCULE-4109825425 [0,1,0,0,0,0|2,0,1]=4 534 B10R1.25 NCC1=NN=C(NC1=O)N MCULE-4302208771 [0,1,0,0,0,0|2,0,1]=4 535 B10R1.25 NCC1=NN=C(NC1=O)N MCULE-7509300279 [0,1,0,0,0,0|2,0,1]=4 536 B10R1.25 NNC1=NNC(=O)NC1=O MCULE-1748748455 [0,1,0,0,0,0|2,0,0]=3 537 B10R1.25 O=C1N=CC(C(=O)N1)CO MCULE-7685633888 [0,1,0,0,0,0|0,0,2]=3 538 B10R1.25 O=C1NC(=CC=C1CO)Br MCULE-9560360292 [0,1,0,0,0,0|2,0,0]=3 539 B10R1.25 O=C1NC=C(C(=O)N1)CCl MCULE-8124898362 [0,1,0,0,0,0|0,0,0]=1 540 B10R1.25 O=C1NC=C(C(=O)N1)CO MCULE-2866555326 [0,1,0,0,0,0|0,0,0]=1 541 B10R1.25 O=C1NC=C(C(=O)N1)CS MCULE-1412623155 [0,1,0,0,0,0|0,0,0]=1 542 B10R1.25 O=C1NN=C(C(=O)N1)CCl MCULE-9818168516 [0,1,0,0,0,0|1,0,0]=2 543 B10R1.30 CC1=C(C=C(C=C1)Cl)C=O MCULE-2019560109 [0,1,0,0,0,0|3,0,0]=4 544 B10R1.30 CC1=C(C=C(C=C1)F)C=O MCULE-6990635185 [0,1,0,0,0,0|3,0,0]=4 545 B10R1.30 CC1=C(C=C(C=C1)I)C=O MCULE-3979250060 [0,1,0,0,0,0|3,0,0]=4 546 B10R1.30 CC1=C(C=C(N=C1)Cl)C=O MCULE-2828873907 [0,1,0,0,0,0|2,0,1]=4 547 B10R1.30 CC1=C(C=C(N=C1)F)C=O MCULE-7221346498 [0,1,0,0,0,0|2,0,1]=4 548 B10R1.30 CC1=CC(=C(C=C1)C)C=O MCULE-9026398948 [0,1,0,0,0,0|3,0,0]=4 549 B10R1.30 CC1=CC=C(C=C1C=O)Br MCULE-4198127415 [0,1,0,0,0,0|3,0,0]=4 550 B10R1.30 CC1=CC=C(C=C1C=O)O MCULE-5722964358 [0,1,0,0,0,0|2,0,1]=4 551 B10R1.30 CC1=CC=C(N=C1C=O)Cl MCULE-1757317679 [0,1,0,0,0,0|2,0,1]=4 552 B10R1.30 CC1=CN=C(C=C1C=O)C MCULE-2531765694 [0,1,0,0,0,0|2,0,1]=4 553 B10R1.30 CC1=NNC(=O)N=C1NN MCULE-9616354022 [0,1,0,0,0,0|2,0,1]=4 554 B10R1.30 CCC1=CC(=O)NC=C1Br MCULE-2982129770 [0,1,0,0,0,0|3,0,0]=4 555 B10R1.30 CCC1=CC(=O)NN=C1C MCULE-1640719920 [0,1,0,0,0,0|3,0,0]=4 556 B10R1.30 CNC1=C(C=NC(=O)N1)F MCULE-6418967238 [0,1,0,0,0,0|2,0,1]=4 557 B10R1.30 CNC1=NC(=O)NN=C1C MCULE-9669137886 [0,1,0,0,0,0|2,0,1]=4 558 B10R1.30 COC1=C(C=NC(=O)N1)F MCULE-5548248130 [0,1,0,0,0,0|1,0,2]=4 559 B10R1.30 COC1=NC(=O)NC=C1C MCULE-2235664193 [0,1,0,0,0,0|0,0,2]=3 560 B10R1.30 CSC1=NC(=O)NN=C1C MCULE-5460846782 [0,1,0,0,0,0|1,1,1]=4 561 B10R1.30 N#CC1=C(C=CC(=O)N1)Br MCULE-8533483310 [0,1,0,0,0,0|3,0,0]=4 562 B10R1.63 CC1(CCC(=O)NC1=O)C MCULE-9593344857 [0,1,0,0,0,0|1,0,2]=4 563 B10R1.63 CC1(CCC(=O)NC1=O)N MCULE-4541003412 [0,1,0,0,0,0|1,0,2]=4 564 B10R1.63 CC1(CCC(=O)NC1=O)N MCULE-8292642254 [0,1,0,0,0,0|1,0,2]=4 565 B10R1.63 CC1(CNC(=O)NC1=O)Br MCULE-5495395440 [0,1,0,0,0,0|0,0,2]=3 566 B10R1.63 CC1(CNC(=O)NC1=O)C MCULE-3142901801 [0,1,0,0,0,0|0,0,2]=3 567 B10R1.63 CC1(NNC(=S)NC1=O)C MCULE-2761927270 [0,1,0,0,0,0|1,1,1]=4 568 B10R1.63 O=C1N=CC(C(=O)N1)(F)F MCULE-9287024406 [0,1,0,0,0,0|1,0,2]=4 569 B10R1.118 CC1=C(NC(=O)C(=C1)Br)C MCULE-9337338188 [0,1,0,0,0,0|2,0,0]=3 570 B10R1.118 CC1=C(NC(=O)C(=C1)N)C MCULE-8346394760 [0,1,0,0,0,0|2,0,0]=3 571 B10R1.118 CC1=C(NC(=O)C(=O)N1)C MCULE-9892265119 [0,1,0,0,0,0|3,0,0]=4 572 B10R1.118 CC1=CC(=C(NC1=O)C)Br MCULE-6286229753 [0,1,0,0,0,0|2,0,0]=3 573 B10R1.118 CC1=CC(=O)C(=CC1=O)Br MCULE-1112024207 [0,1,0,0,0,0|3,0,0]=4 574 B10R1.118 CC1=CC(=O)C(=CC1=O)C MCULE-3530749400 [0,1,0,0,0,0|3,0,0]=4 575 B10R1.118 CC1=CC(=O)C(=CC1=O)Cl MCULE-8350183505 [0,1,0,0,0,0|3,0,0]=4 576 B10R1.118 CC1=CC(=O)C(=CN1C)O MCULE-3927125289 [0,1,0,0,0,0|3,0,0]=4 577 B10R1.118 CC1=CC(=O)N(C=C1Br)C MCULE-9994263549 [0,1,0,0,0,0|3,0,0]=4 578 B10R1.118 CC1=CC(=O)N(C=C1N)C MCULE-3475563427 [0,1,0,0,0,0|3,0,0]=4 579 B10R1.118 CC1=CN(C(=O)NC1=O)C MCULE-2359700701 [0,1,0,0,0,0|0,0,0]=1 580 B10R1.118 CC1=NN(C(=O)C=C1O)C MCULE-1049697981 [0,1,0,0,0,0|2,0,1]=4 581 B10R1.118 CC1=NN(C(=O)NC1=O)C MCULE-2065520759 [0,1,0,0,0,0|1,0,0]=2 582 B10R1.118 CC1SC(C(=O)NC1=O)C MCULE-4587075953 [0,1,0,0,0,0|2,0,1]=4 583 B10R1.118 CN1C=C(C(=CC1=O)Br)Cl MCULE-2657826391 [0,1,0,0,0,0|3,0,0]=4 584 B10R1.118 CN1C=C(C(=CC1=O)Br)F MCULE-2715772223 [0,1,0,0,0,0|3,0,0]=4 585 B10R1.118 CN1C=C(C(=CC1=O)Cl)Br MCULE-5096342981 [0,1,0,0,0,0|3,0,0]=4 586 B10R1.118 CN1C=C(C(=CC1=O)N)Br MCULE-7538545149 [0,1,0,0,0,0|3,0,0]=4 587 B10R1.118 CN1C=C(C(=CC1=O)N)Br MCULE-9385943306 [0,1,0,0,0,0|3,0,0]=4 588 B10R1.118 CN1C=C(C(=CC1=O)O)Cl MCULE-4494128866 [0,1,0,0,0,0|2,0,1]=4 589 B10R1.118 CN1C=C(C(=O)C=C1Cl)Br MCULE-8326139029 [0,1,0,0,0,0|3,0,0]=4 590 B10R1.118 CN1C=C(C(=O)C=C1Cl)Cl MCULE-5001080806 [0,1,0,0,0,0|3,0,0]=4 591 B10R1.118 CN1C=C(C(=O)NC1=O)Br MCULE-9797104008 [0,1,0,0,0,0|1,0,0]=2 592 B10R1.118 CN1C=C(C(=O)NC1=O)F MCULE-3423067623 [0,1,0,0,0,0|1,0,0]=2 593 B10R1.118 CN1C=C(C(=O)NC1=O)I MCULE-4446207931 [0,1,0,0,0,0|1,0,0]=2 594 B10R1.118 CN1C=C(C(=O)NC1=O)N MCULE-1839355087 [0,1,0,0,0,0|1,0,0]=2 595 B10R1.118 CN1CC(C(=O)NC1=O)Br MCULE-4213754102 [0,1,0,0,0,0|1,0,2]=4 596 B10R1.118 CN1NC(=O)C(=O)NC1=S MCULE-7588171087 [0,1,0,0,0,0|2,1,0]=4 597 B10R1.118 NC1=C(C=C(C(=O)N1)Br)Br MCULE-1214298892 [0,1,0,0,0,0|3,0,0]=4 598 B10R1.118 O=C1NC(=C(C=C1I)Br)Cl MCULE-2738289791 [0,1,0,0,0,0|3,0,0]=4 599 B10R1.119 CC1=C(C(=O)NC=C1Br)Cl MCULE-4882336590 [0,1,0,0,0,0|3,0,0]=4 600 B10R1.119 CC1=C(C(=O)NC=C1Cl)N MCULE-1151489999 [0,1,0,0,0,0|3,0,0]=4 601 B10R1.119 CC1=C(C(=O)NC=C1I)Br MCULE-8520366551 [0,1,0,0,0,0|3,0,0]=4 602 B10R1.119 CC1=C(C=CC(=O)N1C)Br MCULE-1434092411 [0,1,0,0,0,0|3,0,0]=4 603 B10R1.119 CC1=CC=C(C(=O)N1C)Br MCULE-7217484539 [0,1,0,0,0,0|3,0,0]=4 604 B10R1.119 CC1=CC=C(C(=O)N1C)N MCULE-2787251761 [0,1,0,0,0,0|3,0,0]=4 605 B10R1.119 CC1=CNC(=O)N(C1=O)C MCULE-4564406988 [0,1,0,0,0,0|0,0,0]=1 606 B10R1.119 CC1=NN=C(N(C1=O)N)N MCULE-2157980945 [0,1,0,0,0,0|2,0,1]=4 607 B10R1.119 CC1=NN=C(N(C1=O)N)S MCULE-5637004717 [0,1,0,0,0,0|1,1,1]=4 608 B10R1.119 CC1=NN=C(N(C1=O)N)S MCULE-8399143139 [0,1,0,0,0,0|1,1,1]=4 609 B10R1.119 CC1=NNC(=O)C(=C1N)N MCULE-9021748635 [0,1,0,0,0,0|3,0,0]=4 610 B10R1.119 CC1=NNC(=O)N(C1=O)N MCULE-1706514027 [0,1,0,0,0,0|1,0,0]=2 611 B10R1.119 CN1C(=O)C(=CC=C1Cl)Br MCULE-9134634892 [0,1,0,0,0,0|3,0,0]=4 612 B10R1.119 CN1C(=O)C(=CN=C1Cl)I MCULE-9284659903 [0,1,0,0,0,0|2,0,1]=4 613 B10R1.119 CN1C(=O)C(=CN=C1Cl)O MCULE-2398170450 [0,1,0,0,0,0|2,0,1]=4 614 B10R1.119 CN1C(=O)C=CC(=C1Br)I MCULE-3891393834 [0,1,0,0,0,0|3,0,0]=4 615 B10R1.119 CN1C(=O)C=CC(=C1Cl)Br MCULE-2237825821 [0,1,0,0,0,0|3,0,0]=4 616 B10R1.119 CN1C=CC(=O)N(C1=O)C MCULE-4521148024 [0,1,0,0,0,0|2,0,0]=3 617 B10R1.119 CN1CCC(=O)N(C1=O)C MCULE-1907113180 [0,1,0,0,0,0|2,0,1]=4 618 B10R1.176 CC1=C(C=C(C=C1)C=O)C MCULE-4139700449 [0,1,0,0,0,0|3,0,0]=4 619 B10R1.176 CC1=C(C=C(C=C1)C=O)Cl MCULE-9403799562 [0,1,0,0,0,0|3,0,0]=4 620 B10R1.176 CC1=C(C=C(C=C1)C=O)F MCULE-6134462002 [0,1,0,0,0,0|3,0,0]=4 621 B10R1.176 CC1=C(C=C(C=C1)C=O)I MCULE-7030076176 [0,1,0,0,0,0|3,0,0]=4 622 B10R1.176 CC1=CC=C(C=C1Br)C=O MCULE-9325099920 [0,1,0,0,0,0|3,0,0]=4 623 B10R1.176 CC1=CC=C(C=C1O)C=O MCULE-2369636558 [0,1,0,0,0,0|2,0,1]=4 624 B10R1.176 CC1=CC=C(NC1=O)C#N MCULE-6219353422 [0,1,0,0,0,0|2,0,0]=3 625 B10R1.176 CC1=CN=C(C=C1Br)C=O MCULE-5788120608 [0,1,0,0,0,0|2,0,1]=4 626 B10R1.176 CC1=NN=C(NC1=O)NN MCULE-1113425777 [0,1,0,0,0,0|2,0,1]=4 627 B10R1.176 CCC1=NC=C(C(=O)N1)Br MCULE-7563681422 [0,1,0,0,0,0|2,0,1]=4 628 B10R1.176 CN1C=CC(=CC1=O)C=O MCULE-6183443510 [0,1,0,0,0,0|3,0,0]=4 629 B10R1.176 CNC1=NN=C(C(=O)N1)C MCULE-4713971279 [0,1,0,0,0,0|2,0,1]=4 630 B10R1.176 COC1=NC(=O)C(=CN1)F MCULE-7628449990 [0,1,0,0,0,0|1,0,2]=4 631 B10R1.176 CSC1=NC(=O)C(=CN1)Br MCULE-3439990803 [0,1,0,0,0,0|1,1,1]=4 632 B10R1.176 CSC1=NC=C(C(=O)N1)C MCULE-3824044842 [0,1,0,0,0,0|0,1,1]=3 633 B10R1.176 CSC1=NC=C(C(=O)N1)F MCULE-5448318358 [0,1,0,0,0,0|1,1,1]=4 634 B10R1.176 CSC1=NN=C(C(=O)N1)C MCULE-7404045031 [0,1,0,0,0,0|1,1,1]=4 635 B10R1.176 N#CC1=CC=C(C(=O)N1)Br MCULE-6963212893 [0,1,0,0,0,0|3,0,0]=4 636 B10R1.176 NNC1=NC=C(C(=O)N1)F MCULE-8206740592 [0,1,0,0,0,0|2,0,1]=4 637 B10R1.176 O=CC1=CC(=O)C(=CN1)O MCULE-9904953554 [0,1,0,0,0,0|2,0,0]=3 638 B10R1.176 O=CC1=CC(=O)C(=CN1)O MCULE-9987658826 [0,1,0,0,0,0|2,0,0]=3 639 B10R1.176 O=CC1=CC(=O)C(=CO1)O MCULE-5802100251 [0,1,0,0,0,0|3,0,0]=4 640 B8R0.9 C=CC(=CCC(=O)O)C MCULE-5960312667 [0,0,1,0,0,0|3,0,0]=4 641 B8R0.9 CC(=NNC(=O)N)CCl MCULE-4167504735 [0,0,1,0,0,0|2,0,1]=4 642 B8R0.9 CC=C(C)C=CC(=O)O MCULE-4818681786 [0,0,1,0,0,0|3,0,0]=4 643 B8R0.9 CCC(=NNC(=O)N)C MCULE-1772875667 [0,0,1,0,0,0|2,0,1]=4 644 B8R0.19 C=CC(=O)NC(=O)NC MCULE-7491775676 [0,0,1,0,0,0|0,0,2]=3 645 B8R0.19 C=CC(=O)OC(=O)C=C MCULE-1424322113 [0,0,1,0,0,0|2,0,1]=4 646 B8R0.19 CNC(=O)CC(=O)NC MCULE-9228601964 [0,0,1,0,0,0|2,0,1]=4 647 B8R0.19 CNC(=O)NC(=O)CCl MCULE-3193763796 [0,0,1,0,0,0|1,0,2]=4 648 B8R0.19 COC(=O)NC(=O)CCl MCULE-6558463162 [0,0,1,0,0,0|3,0,0]=4 649 B8R0.23 C=C(C)C(=O)NC(C)C MCULE-6969715832 [0,0,1,0,0,0|2,0,1]=4 650 B8R0.23 CC(=O)NC(=O)C(=O)N MCULE-2486343722 [0,0,1,0,0,0|3,0,0]=4 651 B8R0.23 CC(C)C(=O)NC(=O)N MCULE-6394527783 [0,0,1,0,0,0|0,0,2]=3 652 B8R0.23 CC(C)C(=O)NC(=S)N MCULE-1170470683 [0,0,1,0,0,0|0,1,2]=4 653 B8R0.23 CC(Cl)C(=O)NC(=O)N MCULE-9978866053 [0,0,1,0,0,0|1,0,1]=3 654 B8R0.23 CN(C)C(=O)CC(=O)N MCULE-1957054841 [0,0,1,0,0,0|2,0,1]=4 655 B8R0.23 CN(C)C(=O)NC(=N)N MCULE-5672673513 [0,0,1,0,0,0|2,0,1]=4 656 B10R2.296 C[C@]12C[C@H]1C(=O)NC2=O MCULE-7303203961 [0,0,0,1,0,0|1,0,2]=4 657 B8R1.18 C=C1CC(=O)OC1=O MCULE-1819893564 [0,0,0,0,1,0|1,0,2]=4 658 B8R1.18 CC1=C(NC(=N1)Br)Br MCULE-7943740516 [0,0,0,0,1,0|2,0,1]=4 659 B8R1.18 CC1=C(NC(=N1)Br)C MCULE-8227466521 [0,0,0,0,1,0|2,0,1]=4 660 B8R1.18 CC1=C(NC(=N1)Cl)C MCULE-8866377899 [0,0,0,0,1,0|2,0,1]=4 661 B8R1.18 CC1=C(NC(=N1)I)I MCULE-9282668797 [0,0,0,0,1,0|2,0,1]=4 662 B8R1.18 CC1=C(NC(=N1)N)C MCULE-1919960152 [0,0,0,0,1,0|2,0,1]=4 663 B8R1.18 CC1=C(NC(=N1)N)C MCULE-6891118020 [0,0,0,0,1,0|2,0,1]=4 664 B8R1.18 CC1=C(NC(=O)N1)C MCULE-1459949338 [0,0,0,0,1,0|1,0,0]=2 665 B8R1.18 CC1=C(NC(=S)N1)C MCULE-2671807084 [0,0,0,0,1,0|1,1,0]=3 666 B8R1.18 CC1=C(OC(=C1)Br)Br MCULE-8877945879 [0,0,0,0,1,0|3,0,0]=4 667 B8R1.18 CC1=C(OC(=O)N1)C MCULE-9563427028 [0,0,0,0,1,0|2,0,0]=3 668 B8R1.18 CC1=C(OC(=O)O1)C MCULE-2205012091 [0,0,0,0,1,0|3,0,0]=4 669 B8R1.18 CC1=C(SC(=C1)Br)Br MCULE-5033111646 [0,0,0,0,1,0|3,0,0]=4 670 B8R1.18 CC1=C(SC(=C1)Br)C MCULE-3189312546 [0,0,0,0,1,0|3,0,0]=4 671 B8R1.18 CC1=C(SC(=C1)Br)N MCULE-6141225156 [0,0,0,0,1,0|3,0,0]=4 672 B8R1.18 CC1=C(SC(=C1)Cl)Br MCULE-9089345119 [0,0,0,0,1,0|3,0,0]=4 673 B8R1.18 CC1=C(SC(=C1)Cl)Cl MCULE-2742915588 [0,0,0,0,1,0|3,0,0]=4 674 B8R1.18 CC1=C(SC(=C1)I)Cl MCULE-7370492708 [0,0,0,0,1,0|3,0,0]=4 675 B8R1.18 CC1=C(SC(=O)N1)C MCULE-3147831549 [0,0,0,0,1,0|2,0,0]=3 676 B8R1.18 CC1=CC(=C(N1)C)Br MCULE-6941290548 [0,0,0,0,1,0|3,0,0]=4 677 B8R1.18 CC1=CC(=C(O1)C)C MCULE-4079062433 [0,0,0,0,1,0|3,0,0]=4 678 B8R1.18 CC1=CC(=C(S1)Br)C MCULE-6382980397 [0,0,0,0,1,0|3,0,0]=4 679 B8R1.18 CC1=CC(=C(S1)C)C MCULE-5897025132 [0,0,0,0,1,0|3,0,0]=4 680 B8R1.18 CC1=CC(=O)CC1C MCULE-9587444246 [0,0,0,0,1,0|2,0,1]=4 681 B8R1.18 CC1=CC(=O)N(N1)C MCULE-5732152928 [0,0,0,0,1,0|3,0,0]=4 682 B8R1.18 CC1=CC(=O)NC1=O MCULE-3109096484 [0,0,0,0,1,0|0,0,0]=1 683 B8R1.18 CC1=CC(=O)NN1C MCULE-4105771613 [0,0,0,0,1,0|2,0,0]=3 684 B8R1.18 CC1=CC(=O)NN1C MCULE-5102421138 [0,0,0,0,1,0|2,0,0]=3 685 B8R1.18 CC1=CC(=O)OC1=O MCULE-1735822163 [0,0,0,0,1,0|1,0,0]=2 686 B8R1.18 CC1=CC(=O)OC1O MCULE-2111708862 [0,0,0,0,1,0|1,0,2]=4 687 B8R1.18 CC1=CC(=O)O[C@@H]1O MCULE-3894053073 [0,0,0,0,1,0|1,0,2]=4 688 B8R1.18 CC1=CC(CC1=O)O MCULE-6348285774 [0,0,0,0,1,0|1,0,2]=4 689 B8R1.18 CC1=CC(OC1=O)Br MCULE-3845731354 [0,0,0,0,1,0|2,0,1]=4 690 B8R1.18 CC1=CC(OC1=O)Cl MCULE-5657964064 [0,0,0,0,1,0|2,0,1]=4 691 B8R1.18 CC1=CC(OC1=O)O MCULE-9085952542 [0,0,0,0,1,0|1,0,2]=4 692 B8R1.18 CC1=CN(C(=O)N1)C MCULE-6864157223 [0,0,0,0,1,0|2,0,0]=3 693 B8R1.18 CC1=C[C@H](NC1=O)O MCULE-7726239614 [0,0,0,0,1,0|0,0,2]=3 694 B8R1.18 CC1=NC(=C(N1)C)Br MCULE-5055640897 [0,0,0,0,1,0|2,0,1]=4 695 B8R1.18 CC1=NC(=C(N1)C)C MCULE-4443527517 [0,0,0,0,1,0|2,0,1]=4 696 B8R1.18 CC1=NC(=C(N1)C)C MCULE-9619537471 [0,0,0,0,1,0|2,0,1]=4 697 B8R1.18 CC1=NC(=C(N1)I)C MCULE-3278705123 [0,0,0,0,1,0|2,0,1]=4 698 B8R1.18 CC1CC(=O)NC1=O MCULE-2962850802 [0,0,0,0,1,0|0,0,2]=3 699 B8R1.18 CC1CC(=O)OC1=O MCULE-6043315810 [0,0,0,0,1,0|1,0,2]=4 700 B8R1.18 CC1NC(=O)CC1=O MCULE-3973500509 [0,0,0,0,1,0|1,0,1]=3 701 B8R1.18 CC1NC(=O)NC1=O MCULE-4619149186 [0,0,0,0,1,0|0,0,1]=2 702 B8R1.18 CC1NC(=O)OC1=O MCULE-5437194910 [0,0,0,0,1,0|1,0,1]=3 703 B8R1.18 CC1NC(=O)OC1=O MCULE-6711218397 [0,0,0,0,1,0|1,0,1]=3 704 B8R1.18 CC1NC(=S)NC1=O MCULE-8518769044 [0,0,0,0,1,0|0,1,1]=3 705 B8R1.18 CC1OC(=O)NC1=O MCULE-8191598152 [0,0,0,0,1,0|1,0,1]=3 706 B8R1.18 CC1SC(=O)NC1=O MCULE-9249450232 [0,0,0,0,1,0|1,0,1]=3 707 B8R1.18 CN1CC(=O)CC1=O MCULE-9941627549 [0,0,0,0,1,0|2,0,1]=4 708 B8R1.18 CN1CC(=O)NC1=N MCULE-7608108871 [0,0,0,0,1,0|2,0,1]=4 709 B8R1.18 CN1CC(=O)NC1=N MCULE-8832153777 [0,0,0,0,1,0|2,0,1]=4 710 B8R1.18 CN1CC(=O)NC1=O MCULE-6246850639 [0,0,0,0,1,0|1,0,1]=3 711 B8R1.18 CN1CC(=O)NC1=S MCULE-6474760923 [0,0,0,0,1,0|1,1,1]=4 712 B8R1.18 CN1CC(=O)OC1=O MCULE-7537862268 [0,0,0,0,1,0|2,0,1]=4 713 B8R1.18 CN1N=C(NC1=O)Cl MCULE-4149690737 [0,0,0,0,1,0|2,0,1]=4 714 B8R1.18 CN1NC(=CC1=O)N MCULE-9402016986 [0,0,0,0,1,0|3,0,0]=4 715 B8R1.18 CN1NC(=N)CC1=O MCULE-1189353766 [0,0,0,0,1,0|3,0,0]=4 716 B8R1.18 CN1NC(=O)C=C1N MCULE-9124998543 [0,0,0,0,1,0|3,0,0]=4 717 B8R1.18 C[C@@H]1CC(=O)NC1=O MCULE-9043552998 [0,0,0,0,1,0|0,0,2]=3 718 B8R1.18 C[C@@H]1NC(=O)NC1=O MCULE-1126054848 [0,0,0,0,1,0|0,0,1]=2 719 B8R1.18 C[C@@H]1NC(=O)OC1=O MCULE-3338806314 [0,0,0,0,1,0|1,0,1]=3 720 B8R1.18 C[C@@H]1NC(=O)OC1=O MCULE-9892061668 [0,0,0,0,1,0|1,0,1]=3 721 B8R1.18 C[C@H]1CC(=O)OC1=O MCULE-7764909201 [0,0,0,0,1,0|1,0,2]=4 722 B8R1.18 C[C@H]1NC(=O)NC1=O MCULE-5443325319 [0,0,0,0,1,0|0,0,1]=2 723 B8R1.18 C[C@H]1NC(=O)OC1=O MCULE-2658468572 [0,0,0,0,1,0|1,0,1]=3 724 B8R1.18 C[C@H]1NC(=O)OC1=O MCULE-9205776561 [0,0,0,0,1,0|1,0,1]=3 725 B8R1.18 NC1CC(=O)NC1=O MCULE-6692452440 [0,0,0,0,1,0|1,0,2]=4 726 B8R1.18 NC1CC(=O)NC1=O MCULE-8447671567 [0,0,0,0,1,0|1,0,2]=4 727 B8R1.18 NC1SC(=O)NC1=O MCULE-8460816262 [0,0,0,0,1,0|2,0,1]=4 728 B8R1.18 NN1CC(=O)NC1=O MCULE-6319474334 [0,0,0,0,1,0|2,0,1]=4 729 B8R1.18 NN1CC(=O)NC1=O MCULE-7370713803 [0,0,0,0,1,0|2,0,1]=4 730 B8R1.18 N[C@@H]1CC(=O)NC1=O MCULE-1292090753 [0,0,0,0,1,0|1,0,2]=4 731 B8R1.18 N[C@@H]1CC(=O)NC1=O MCULE-9676397018 [0,0,0,0,1,0|1,0,2]=4 732 B8R1.18 N[C@H]1CC(=O)NC1=O MCULE-1052396743 [0,0,0,0,1,0|1,0,2]=4 733 B8R1.18 N[C@H]1CC(=O)NC1=O MCULE-1965803095 [0,0,0,0,1,0|1,0,2]=4 734 B8R1.18 O=C1C=C(C(=O)N1)Br MCULE-6173415556 [0,0,0,0,1,0|1,0,0]=2 735 B8R1.18 O=C1C=C(C(=O)O1)Br MCULE-2984870530 [0,0,0,0,1,0|2,0,0]=3 736 B8R1.18 O=C1C=C(C(N1)O)Br MCULE-4783191833 [0,0,0,0,1,0|1,0,2]=4 737 B8R1.18 O=C1N=C(NC1=O)S MCULE-9704398967 [0,0,0,0,1,0|1,1,1]=4 738 B8R1.18 O=C1NC(=O)C(=O)N1 MCULE-1683872231 [0,0,0,0,1,0|1,0,0]=2 739 B8R1.18 O=C1NC(=O)C(N1)Br MCULE-9177153028 [0,0,0,0,1,0|1,0,1]=3 740 B8R1.18 O=C1NC(=O)C(S1)Br MCULE-7635505691 [0,0,0,0,1,0|2,0,1]=4 741 B8R1.50 CC1=C(C(=N)NN1)I MCULE-4137559818 [0,0,0,0,1,0|3,0,0]=4 742 B8R1.50 CC1=C(C(=O)CC1)Br MCULE-4093496442 [0,0,0,0,1,0|2,0,1]=4 743 B8R1.50 CC1=C(C(=O)CC1)C MCULE-6370073595 [0,0,0,0,1,0|2,0,1]=4 744 B8R1.50 CC1=C(C(=O)CC1)O MCULE-2968247012 [0,0,0,0,1,0|1,0,2]=4 745 B8R1.50 CC1=C(C(=O)CC1)O MCULE-9147894168 [0,0,0,0,1,0|1,0,2]=4 746 B8R1.50 CC1=C(C(=O)CO1)O MCULE-9541217217 [0,0,0,0,1,0|2,0,1]=4 747 B8R1.50 CC1=C(C(=O)N=N1)C MCULE-5610678748 [0,0,0,0,1,0|2,0,1]=4 748 B8R1.50 CC1=C(C(=O)NC1)C MCULE-4444366984 [0,0,0,0,1,0|1,0,1]=3 749 B8R1.50 CC1=C(C(=O)NN1)Br MCULE-1547416734 [0,0,0,0,1,0|2,0,0]=3 750 B8R1.50 CC1=C(C(=O)NN1)N MCULE-2893871378 [0,0,0,0,1,0|2,0,0]=3 751 B8R1.50 CC1=C(C(=O)NN1)N MCULE-8633976044 [0,0,0,0,1,0|2,0,0]=3 752 B8R1.50 CC1=C(C(=O)NO1)Cl MCULE-8820928279 [0,0,0,0,1,0|2,0,0]=3 753 B8R1.50 CC1=C(C(=O)OC1)O MCULE-7870847121 [0,0,0,0,1,0|1,0,2]=4 754 B8R1.50 CC1=C(C(=O)SC1)O MCULE-2081484623 [0,0,0,0,1,0|1,0,2]=4 755 B8R1.50 CC1=CNC(=C1C)C MCULE-1561607071 [0,0,0,0,1,0|2,0,0]=3 756 B8R1.50 CC1=CSC(=C1Br)Br MCULE-3406149039 [0,0,0,0,1,0|3,0,0]=4 757 B8R1.50 CC1=CSC(=C1Br)C MCULE-5613460132 [0,0,0,0,1,0|3,0,0]=4 758 B8R1.50 CC1=CSC(=C1C)Br MCULE-1284703369 [0,0,0,0,1,0|3,0,0]=4 759 B8R1.50 CC1=CSC(=C1N)C MCULE-1481066573 [0,0,0,0,1,0|3,0,0]=4 760 B8R1.50 CC1=CSC(=C1N)C MCULE-6188273510 [0,0,0,0,1,0|3,0,0]=4 761 B8R1.50 CC1=CSC(=C1N)Cl MCULE-3294430733 [0,0,0,0,1,0|3,0,0]=4 762 B8R1.50 CC1=CSC(=C1N)Cl MCULE-9252802974 [0,0,0,0,1,0|3,0,0]=4 763 B8R1.50 CC1=NNC(=C1Br)C MCULE-8587705304 [0,0,0,0,1,0|3,0,0]=4 764 B8R1.50 CC1=NNC(=C1Br)N MCULE-1810995856 [0,0,0,0,1,0|3,0,0]=4 765 B8R1.50 CC1=NNC(=C1Br)N MCULE-1833591941 [0,0,0,0,1,0|3,0,0]=4 766 B8R1.50 CC1=NNC(=C1C)C MCULE-7986153155 [0,0,0,0,1,0|3,0,0]=4 767 B8R1.50 CC1=NNC(=C1C)N MCULE-7069954076 [0,0,0,0,1,0|3,0,0]=4 768 B8R1.50 CC1=NNC(=C1C)O MCULE-1837524155 [0,0,0,0,1,0|2,0,1]=4 769 B8R1.50 CC1=NNC(=C1Cl)Br MCULE-2953952346 [0,0,0,0,1,0|3,0,0]=4 770 B8R1.50 CC1=NNC(=C1Cl)C MCULE-2444110902 [0,0,0,0,1,0|3,0,0]=4 771 B8R1.50 CC1=NNC(=C1Cl)I MCULE-3628907299 [0,0,0,0,1,0|3,0,0]=4 772 B8R1.50 CC1=NNC(=C1Cl)N MCULE-3260910983 [0,0,0,0,1,0|3,0,0]=4 773 B8R1.50 CC1=NNC(=C1F)C MCULE-5132112506 [0,0,0,0,1,0|3,0,0]=4 774 B8R1.50 CC1=NNC(=C1I)C MCULE-4672469389 [0,0,0,0,1,0|3,0,0]=4 775 B8R1.50 CC1=NNC(=C1N)C MCULE-1609172181 [0,0,0,0,1,0|3,0,0]=4 776 B8R1.50 CC1=NNC(=C1N)C MCULE-3544439246 [0,0,0,0,1,0|3,0,0]=4 777 B8R1.50 CC1=NNC(=C1N)C MCULE-7191760169 [0,0,0,0,1,0|3,0,0]=4 778 B8R1.50 CC1=NNC(=C1N)Cl MCULE-7102017736 [0,0,0,0,1,0|3,0,0]=4 779 B8R1.50 CC1=NNC(=C1N)N MCULE-5572064442 [0,0,0,0,1,0|3,0,0]=4 780 B8R1.50 CC1=NNC(=C1N)N MCULE-6900057368 [0,0,0,0,1,0|3,0,0]=4 781 B8R1.50 CC1=NNC(=C1O)C MCULE-4175814395 [0,0,0,0,1,0|2,0,1]=4 782 B8R1.50 CC1=NNC(=O)C1Br MCULE-4287701930 [0,0,0,0,1,0|2,0,1]=4 783 B8R1.50 CC1=NNC(=O)C1C MCULE-5835053937 [0,0,0,0,1,0|2,0,1]=4 784 B8R1.50 CC1=NNC(=O)N1C MCULE-7430385178 [0,0,0,0,1,0|3,0,0]=4 785 B8R1.50 CC1CCC(=O)C1=O MCULE-7649396652 [0,0,0,0,1,0|1,0,2]=4 786 B8R1.50 CN1CCC(=O)C1=O MCULE-7541521172 [0,0,0,0,1,0|2,0,1]=4 787 B8R1.50 [NH3+]C1=C(C(=O)NN1)N MCULE-6101059606 [0,0,0,0,1,0|3,0,0]=4 788 B10R1.277 CC1=CC=CC(C(=O)N1)C MCULE-4357728445 [0,0,0,0,0,1|2,0,1]=4 789 B10R1.330 CC1CNC(=O)CC(=O)C1 MCULE-4466752945 [0,0,0,0,0,1|1,0,2]=4 790 B10R1.330 O=C1CNC(=O)NC(=O)C1 MCULE-7213965794 [0,0,0,0,0,1|1,0,1]=3 791 B7R0.7 C=COC(=O)/C=C/C MCULE-3646996165 [1,0,1,0,0,0|2,0,0]=4 792 B7R0.7 C=COC(=O)C=CC MCULE-7917602280 [1,0,1,0,0,0|2,0,0]=4 793 B7R0.7 O=CNC(=O)NC=O MCULE-8913644353 [1,0,1,0,0,0|1,0,0]=3 794 B7R0.5 C=C(C)C(=O)NCO MCULE-2758821094 [1,0,1,0,0,0|0,0,2]=4 795 B7R0.5 C=CC=C(C)C(=O)O MCULE-9568360048 [1,0,1,0,0,0|2,0,0]=4 796 B7R0.5 C=COC(=O)C(=C)C MCULE-3204745409 [1,0,1,0,0,0|2,0,0]=4 797 B7R0.5 CC(NC=O)C(=O)O MCULE-7277951464 [1,0,1,0,0,0|1,0,1]=4 798 B7R0.5 C[C@H](NC=O)C(=O)O MCULE-3824082361 [1,0,1,0,0,0|1,0,1]=4 799 B7R0.5 C[C@H](NC=O)C(=O)O MCULE-5248110352 [1,0,1,0,0,0|1,0,1]=4 800 B7R0.4 C=CC=NNC(=O)N MCULE-6611985512 [1,0,1,0,0,0|2,0,0]=4 801 B7R0.6 C=C(C)CCC(=O)N MCULE-7602727888 [1,0,1,0,0,0|1,0,1]=4 802 B7R0.6 C=C(C)CNC(=S)N MCULE-3514300945 [1,0,1,0,0,0|0,1,1]=4 803 B7R0.6 CC(=NNC(=O)N)C MCULE-9452330207 [1,0,1,0,0,0|1,0,1]=4 804 B7R0.6 CC(=O)/C=C/C(=O)O MCULE-8768861026 [1,0,1,0,0,0|2,0,0]=4 805 B7R0.6 CC(=O)C=CC(=O)C MCULE-9472466140 [1,0,1,0,0,0|2,0,0]=4 806 B7R0.6 CC(=O)C=CC(=O)Cl MCULE-8865772819 [1,0,1,0,0,0|2,0,0]=4 807 B7R0.6 CC(=O)C=CC(=O)O MCULE-6867353277 [1,0,1,0,0,0|2,0,0]=4 808 B7R0.6 CC(=O)CCC(=O)N MCULE-8943258659 [1,0,1,0,0,0|1,0,1]=4 809 B7R0.6 CC(=O)CNC(=O)C MCULE-7941086302 [1,0,1,0,0,0|1,0,1]=4 810 B7R0.6 CC(=O)CNC(=O)Cl MCULE-2043888982 [1,0,1,0,0,0|1,0,1]=4 811 B7R0.6 CC(=O)NCC(=O)N MCULE-7934502236 [1,0,1,0,0,0|2,0,0]=4 812 B7R0.6 CC(=O)NNC(=O)C MCULE-3292268906 [1,0,1,0,0,0|2,0,0]=4 813 B7R0.6 CC(=O)NNC(=S)N MCULE-4923078693 [1,0,1,0,0,0|1,1,0]=4 814 B7R0.6 NC(=O)/C=C/C(=O)N MCULE-4395066945 [1,0,1,0,0,0|2,0,0]=4 815 B7R0.6 NC(=O)/C=C/C(=O)O MCULE-4042951919 [1,0,1,0,0,0|2,0,0]=4 816 B7R0.6 NC(=O)/C=C\C(=O)O MCULE-9066996879 [1,0,1,0,0,0|2,0,0]=4 817 B7R0.6 NC(=O)C=CC(=O)N MCULE-6392282813 [1,0,1,0,0,0|2,0,0]=4 818 B7R0.6 NC(=O)C=CC(=O)O MCULE-2401877342 [1,0,1,0,0,0|2,0,0]=4 819 B7R0.6 NC(=O)NCC(=O)O MCULE-7640310218 [1,0,1,0,0,0|1,0,1]=4 820 B7R0.6 NC(=O)NNC(=O)N MCULE-1306740070 [1,0,1,0,0,0|2,0,0]=4 821 B7R0.2 C=CC(=O)NC(=O)N MCULE-8826369233 [1,0,1,0,0,0|0,0,0]=2 822 B7R0.2 CC(=O)NC(=O)CBr MCULE-3222708274 [1,0,1,0,0,0|2,0,0]=4 823 B7R0.2 CCC(=O)NC(=S)N MCULE-7487842736 [1,0,1,0,0,0|0,1,1]=4 824 B7R0.2 CNC(=O)CC(=O)C MCULE-4316009681 [1,0,1,0,0,0|1,0,1]=4 825 B7R0.2 CNC(=O)NC(=O)C MCULE-9100713966 [1,0,1,0,0,0|0,0,1]=3 826 B7R0.2 CNC(=O)NC(=O)N MCULE-8107942434 [1,0,1,0,0,0|1,0,0]=3 827 B7R0.2 COC(=O)CC(=O)N MCULE-7129379910 [1,0,1,0,0,0|2,0,0]=4 828 B7R0.2 NC(=O)NC(=O)CBr MCULE-4561848957 [1,0,1,0,0,0|1,0,1]=4 829 B7R0.2 NC(=O)NC(=O)CCl MCULE-6047100495 [1,0,1,0,0,0|1,0,1]=4 830 B7R1.3 CC1=CC=CC=C1 MCULE-4817136027 [2,0,0,0,0,0|2,0,0]=4 831 B7R1.3 CC1=CN=CC=C1 MCULE-7651055603 [2,0,0,0,0,0|1,0,1]=4 832 B7R1.3 CC1=CN=CN=C1 MCULE-7076758617 [2,0,0,0,0,0|0,0,2]=4 833 B7R1.3 O=C1C=CC=CO1 MCULE-1962369480 [2,0,0,0,0,0|2,0,0]=4 834 B7R1.3 O=C1C=CCCN1 MCULE-9815380990 [2,0,0,0,0,0|1,0,1]=4 835 B7R1.3 O=C1C=COC=C1 MCULE-4737810636 [2,0,0,0,0,0|2,0,0]=4 836 B7R1.3 O=C1C=COCN1 MCULE-7471476237 [2,0,0,0,0,0|1,0,1]=4 837 B7R1.3 O=C1C=NC=CN1 MCULE-1637832118 [2,0,0,0,0,0|2,0,0]=4 838 B7R1.3 O=C1CC=CCN1 MCULE-7370958955 [2,0,0,0,0,0|1,0,1]=4 839 B7R1.3 O=C1CSC=CN1 MCULE-7195428643 [2,0,0,0,0,0|2,0,0]=4 840 B7R1.3 O=C1N=CC=CN1 MCULE-7966583838 [2,0,0,0,0,0|0,0,1]=3 841 B7R1.3 S=C1C=CNC=N1 MCULE-9568191260 [2,0,0,0,0,0|0,1,1]=4 842 B7R1.3 S=C1N=CC=CN1 MCULE-4888458372 [2,0,0,0,0,0|0,1,1]=4 843 B9R0.7 C/C(=N/NC(=O)N)/C(=O)O MCULE-9321060192 [0,1,1,0,0,0|2,0,0]=4 844 B9R0.7 C/C(=N\NC(=O)N)/C(=O)O MCULE-7459723879 [0,1,1,0,0,0|2,0,0]=4 845 B9R0.7 CC(=NNC(=O)N)C(=O)O MCULE-9419629764 [0,1,1,0,0,0|2,0,0]=4 846 B9R0.7 CC(=O)C(=NNC(=O)N)C MCULE-7750017468 [0,1,1,0,0,0|2,0,0]=4 847 B9R0.7 CC(=O)NN=C(C)C(=O)O MCULE-4949211950 [0,1,1,0,0,0|2,0,0]=4 848 B9R1.1 CC1=CC=C(C=C1)C=O MCULE-2461351642 [1,1,0,0,0,0|2,0,0]=4 849 B9R1.1 CC1=CN=C(C=C1)C=O MCULE-5174773171 [1,1,0,0,0,0|1,0,1]=4 850 B9R1.1 CC1=CN=C(N=C1)C=O MCULE-2335896346 [1,1,0,0,0,0|0,0,2]=4 851 B9R1.1 CCC1=CNC(=O)C=C1 MCULE-1841228387 [1,1,0,0,0,0|1,0,0]=3 852 B9R1.1 COC1=CNC(=O)C=N1 MCULE-5554531600 [1,1,0,0,0,0|2,0,0]=4 853 B9R1.1 COC1=NNC(=O)C=C1 MCULE-3763017253 [1,1,0,0,0,0|2,0,0]=4 854 B9R1.1 N#CC1=CNC(=O)C=C1 MCULE-4402104286 [1,1,0,0,0,0|1,0,1]=4 855 B9R1.1 N#CC1=CNC(=O)N=C1 MCULE-1527188279 [1,1,0,0,0,0|0,0,2]=4 856 B9R1.1 N#CC1=CNC(=O)NC1 MCULE-2895626671 [1,1,0,0,0,0|0,0,2]=4 857 B9R1.1 NCC1=CNC(=O)C=C1 MCULE-1151449929 [1,1,0,0,0,0|1,0,0]=3 858 B9R1.1 NCC1=NNC(=O)C=C1 MCULE-3839827679 [1,1,0,0,0,0|2,0,0]=4 859 B9R1.1 NCC1=NNC(=O)C=C1 MCULE-9002975777 [1,1,0,0,0,0|2,0,0]=4 860 B9R1.1 O=C1C=CC(=NN1)CBr MCULE-9321606526 [1,1,0,0,0,0|2,0,0]=4 861 B9R1.2 C#CC1=CC(=O)NC=C1 MCULE-6010931422 [1,1,0,0,0,0|2,0,0]=4 862 B9R1.2 C#CC1=CC=CC(=O)N1 MCULE-2597053215 [1,1,0,0,0,0|2,0,0]=4 863 B9R1.2 C#CC1=CC=CC(=O)N1 MCULE-2851617898 [1,1,0,0,0,0|2,0,0]=4 864 B9R1.2 CCC1=CC(=O)NC=C1 MCULE-5087892769 [1,1,0,0,0,0|2,0,0]=4 865 B9R1.2 CNC1=NC(=O)NC=C1 MCULE-3945208648 [1,1,0,0,0,0|1,0,1]=4 866 B9R1.2 COC1=NC(=O)C=CN1 MCULE-4176859501 [1,1,0,0,0,0|0,0,2]=4 867 B9R1.2 CSC1=NC(=O)NC=C1 MCULE-1363527504 [1,1,0,0,0,0|0,1,1]=4 868 B9R1.2 CSC1=NC=CC(=O)N1 MCULE-9680690573 [1,1,0,0,0,0|0,1,1]=4 869 B9R1.2 N#CC1=CC=CC(=O)N1 MCULE-6957227798 [1,1,0,0,0,0|2,0,0]=4 870 B9R1.2 NCC1=CC(=O)NC=C1 MCULE-1956502849 [1,1,0,0,0,0|2,0,0]=4 871 B9R1.2 NCC1=CC(=O)NC=C1 MCULE-5081851358 [1,1,0,0,0,0|2,0,0]=4 872 B9R1.2 NCC1=CC=CC(=O)N1 MCULE-1386831282 [1,1,0,0,0,0|2,0,0]=4 873 B9R1.2 NCC1=CC=CC(=O)N1 MCULE-3025859735 [1,1,0,0,0,0|2,0,0]=4 874 B9R1.2 NCC1=CC=CC(=O)N1 MCULE-8335536241 [1,1,0,0,0,0|2,0,0]=4 875 B9R1.2 NCC1=NC=CC(=O)N1 MCULE-2949674461 [1,1,0,0,0,0|1,0,1]=4 876 B9R1.2 NCC1=NC=CC(=O)N1 MCULE-5370705710 [1,1,0,0,0,0|1,0,1]=4 877 B9R1.2 NNC1=CC(=O)NC=C1 MCULE-2415812047 [1,1,0,0,0,0|2,0,0]=4 878 B9R1.2 NNC1=NC(=O)NC=C1 MCULE-4281041312 [1,1,0,0,0,0|1,0,1]=4 879 B9R1.2 NNC1=NC=CC(=O)N1 MCULE-5975983635 [1,1,0,0,0,0|1,0,1]=4 880 B9R1.2 O=C1C=C(C=CN1)CCl MCULE-8248663590 [1,1,0,0,0,0|2,0,0]=4 881 B9R1.2 O=C1C=C(C=CN1)CO MCULE-2738457100 [1,1,0,0,0,0|1,0,1]=4 882 B9R1.2 O=C1C=CN=C(N1)CCl MCULE-3488826665 [1,1,0,0,0,0|1,0,1]=4 883 B9R1.2 O=C1N=CC=C(N1)NO MCULE-5574799516 [1,1,0,0,0,0|0,0,2]=4 884 B9R1.2 O=CC1=CC(=O)NC=C1 MCULE-5001480578 [1,1,0,0,0,0|1,0,0]=3 885 B9R1.2 O=CC1=CC=CC(=O)N1 MCULE-3898981854 [1,1,0,0,0,0|1,0,0]=3 886 B9R1.3 CC1=C(C(=O)C=CN1)C MCULE-5006486359 [1,1,0,0,0,0|2,0,0]=4 887 B9R1.3 CC1=C(C(=O)C=CN1)O MCULE-4746579757 [1,1,0,0,0,0|2,0,0]=4 888 B9R1.3 CC1=C(C=CNC1=O)Br MCULE-3583219107 [1,1,0,0,0,0|2,0,0]=4 889 B9R1.3 CC1=C(C=CNC1=O)O MCULE-7417449946 [1,1,0,0,0,0|1,0,1]=4 890 B9R1.3 CN1C(=O)C=CC=C1Br MCULE-9204623492 [1,1,0,0,0,0|2,0,0]=4 891 B9R1.3 CN1C(=O)C=CC=C1Cl MCULE-9231681198 [1,1,0,0,0,0|2,0,0]=4 892 B9R1.3 CN1C(=O)C=CC=C1N MCULE-2055741339 [1,1,0,0,0,0|2,0,0]=4 893 B9R1.3 CN1C(=O)C=CC=C1N MCULE-8809604678 [1,1,0,0,0,0|2,0,0]=4 894 B9R1.3 CN1C(=O)C=CN=C1N MCULE-3426992585 [1,1,0,0,0,0|1,0,1]=4 895 B9R1.3 CN1C(=O)C=CNC1=O MCULE-5392412214 [1,1,0,0,0,0|0,0,0]=2 896 B9R1.3 CN1C(=O)C=CNC1=S MCULE-1210464407 [1,1,0,0,0,0|0,1,0]=3 897 B9R1.3 CN1C(=O)C=NNC1=O MCULE-6864350387 [1,1,0,0,0,0|1,0,0]=3 898 B9R1.3 CN1C(=O)N=CC=C1N MCULE-4228941810 [1,1,0,0,0,0|1,0,1]=4 899 B9R1.3 NC1=C(C(=O)NC=C1)I MCULE-3695102386 [1,1,0,0,0,0|2,0,0]=4 900 B9R1.3 NC1=C(C(=O)NC=C1)N MCULE-5013092941 [1,1,0,0,0,0|2,0,0]=4 901 B9R1.3 NN1C(=O)C=NNC1=O MCULE-5939036900 [1,1,0,0,0,0|1,0,0]=3 902 B9R1.3 NN1C(=O)C=NNC1=S MCULE-2713167949 [1,1,0,0,0,0|1,1,0]=4 903 B9R1.3 O=C1N=CNC(=O)C1Br MCULE-4388547885 [1,1,0,0,0,0|2,0,0]=4 904 B9R1.3 O=C1NC=CC(=C1Br)F MCULE-4137751133 [1,1,0,0,0,0|2,0,0]=4 905 B9R1.3 O=C1NC=CC(=C1Br)O MCULE-3131067325 [1,1,0,0,0,0|1,0,1]=4 906 B9R1.3 O=C1NC=CC(=C1Cl)O MCULE-5493350533 [1,1,0,0,0,0|1,0,1]=4 907 B9R1.3 O=C1NC=CC(=C1F)I MCULE-5070253573 [1,1,0,0,0,0|2,0,0]=4 908 B9R1.34 CC1=CC(=CC(=O)N1)Br MCULE-8208292456 [1,1,0,0,0,0|2,0,0]=4 909 B9R1.34 CC1=CC(=CC(=O)N1)Cl MCULE-9615445068 [1,1,0,0,0,0|2,0,0]=4 910 B9R1.34 CC1=CC(=CC(=O)N1)O MCULE-9810636783 [1,1,0,0,0,0|1,0,1]=4 911 B9R1.34 CC1=CC(=NC(=O)N1)C MCULE-6623341819 [1,1,0,0,0,0|1,0,1]=4 912 B9R1.34 CC1=CC(=O)C=C(N1)C MCULE-9549005978 [1,1,0,0,0,0|2,0,0]=4 913 B9R1.34 CC1=CC(=O)CC(=O)O1 MCULE-2238720534 [1,1,0,0,0,0|2,0,0]=4 914 B9R1.34 CC1=CC(=O)N=C(N1)Cl MCULE-3386184434 [1,1,0,0,0,0|1,0,1]=4 915 B9R1.34 CC1=CC(=O)NC(=C1)C MCULE-3175630656 [1,1,0,0,0,0|2,0,0]=4 916 B9R1.34 CC1=CC(=O)NC(=C1)N MCULE-1738074769 [1,1,0,0,0,0|2,0,0]=4 917 B9R1.34 CC1=CC(=O)NC(=S)N1 MCULE-5250952546 [1,1,0,0,0,0|0,1,0]=3 918 B9R1.34 CC1=CC(=O)OC(=O)N1 MCULE-4319728701 [1,1,0,0,0,0|1,0,0]=3 919 B9R1.34 CC1=NC(=CC(=O)N1)N MCULE-8442084767 [1,1,0,0,0,0|1,0,1]=4 920 B9R1.34 CC1CC(=O)NC(=O)N1 MCULE-2066103800 [1,1,0,0,0,0|0,0,2]=4 921 B9R1.34 NC1=CC(=CC(=O)N1)O MCULE-5663243183 [1,1,0,0,0,0|1,0,1]=4 922 B9R1.34 NC1=CC(=O)NC(=C1)F MCULE-1710027350 [1,1,0,0,0,0|2,0,0]=4 923 B9R1.34 NC1=CC(=O)NC(=C1)O MCULE-3882042487 [1,1,0,0,0,0|1,0,1]=4 924 B9R1.34 NC1=CC(=O)NC(=N1)Cl MCULE-6120131493 [1,1,0,0,0,0|1,0,1]=4 925 B9R1.34 NC1=CC(=O)NC(=N1)N MCULE-5011664599 [1,1,0,0,0,0|1,0,1]=4 926 B9R1.34 NC1=NC(=CC(=O)N1)Cl MCULE-7901887440 [1,1,0,0,0,0|1,0,1]=4 927 B9R1.34 NC1=NC(=CC(=O)N1)F MCULE-6215319582 [1,1,0,0,0,0|1,0,1]=4 928 B9R1.34 NC1=NC(=O)CC(=O)N1 MCULE-4304162919 [1,1,0,0,0,0|2,0,0]=4 929 B9R1.34 NC1=NC(=O)NC(=C1)Cl MCULE-1890918637 [1,1,0,0,0,0|1,0,1]=4 930 B9R1.34 NC1=NC(=O)NC(=C1)Cl MCULE-3508827707 [1,1,0,0,0,0|1,0,1]=4 931 B9R1.34 NC1=NC(=O)NC(=C1)F MCULE-8549659767 [1,1,0,0,0,0|1,0,1]=4 932 B9R1.34 O=C1C=C(C=C(N1)Cl)Br MCULE-8632612031 [1,1,0,0,0,0|2,0,0]=4 933 B9R1.34 O=C1C=C(C=C(N1)Cl)Cl MCULE-1887146487 [1,1,0,0,0,0|2,0,0]=4 934 B9R1.34 O=C1C=C(C=C(N1)O)I MCULE-8256519601 [1,1,0,0,0,0|1,0,1]=4 935 B9R1.34 O=C1C=C(NC(=O)N1)Br MCULE-3840650924 [1,1,0,0,0,0|0,0,0]=2 936 B9R1.34 O=C1C=C(NC(=O)N1)Cl MCULE-2281590199 [1,1,0,0,0,0|0,0,0]=2 937 B9R1.34 O=C1C=C(NC(=O)N1)F MCULE-4457115383 [1,1,0,0,0,0|0,0,0]=2 938 B9R1.34 O=C1C=C(NC(=O)N1)I MCULE-4986004483 [1,1,0,0,0,0|0,0,0]=2 939 B9R1.34 O=C1CC(=NC(=O)N1)[O-] MCULE-5852182390 [1,1,0,0,0,0|0,0,2]=4 940 B9R1.34 O=C1CC(=O)NC(=O)N1 MCULE-3947237773 [1,1,0,0,0,0|0,0,1]=3 941 B9R1.34 O=C1CC(=O)NC(=S)N1 MCULE-6314984434 [1,1,0,0,0,0|0,1,1]=4 942 B9R1.34 O=C1N=C(C=C(N1)Cl)Cl MCULE-4885987307 [1,1,0,0,0,0|1,0,1]=4 943 B9R1.34 O=C1N=C(NC(=O)N1)Cl MCULE-5015398867 [1,1,0,0,0,0|1,0,0]=3 944 B9R1.15 C=CC1=CC=CNC1=O MCULE-9861743976 [1,1,0,0,0,0|1,0,1]=4 945 B9R1.15 CC1=C(C=CC=C1)C=O MCULE-2830937302 [1,1,0,0,0,0|2,0,0]=4 946 B9R1.15 CC1=C(C=CC=C1)N=O MCULE-7502664401 [1,1,0,0,0,0|2,0,0]=4 947 B9R1.15 CC1=C(C=CN=C1)C=O MCULE-7640727450 [1,1,0,0,0,0|1,0,1]=4 948 B9R1.15 CC1=C(N=CC=C1)C=O MCULE-8800373726 [1,1,0,0,0,0|1,0,1]=4 949 B9R1.15 CCC1=CC=NNC1=O MCULE-6873222136 [1,1,0,0,0,0|2,0,0]=4 950 B9R1.15 CCC1=CNC=CC1=N MCULE-4369312143 [1,1,0,0,0,0|2,0,0]=4 951 B9R1.15 CCC1=CNC=CC1=N MCULE-6638043090 [1,1,0,0,0,0|2,0,0]=4 952 B9R1.15 CCC1=NC=CNC1=O MCULE-1515870807 [1,1,0,0,0,0|2,0,0]=4 953 B9R1.15 CCC1=NN=CNC1=O MCULE-9376895743 [1,1,0,0,0,0|1,0,1]=4 954 B9R1.15 CNC1=CNC=CC1=N MCULE-7353051654 [1,1,0,0,0,0|2,0,0]=4 955 B9R1.15 COC1=CC=CNC1=O MCULE-1104931579 [1,1,0,0,0,0|1,0,0]=3 956 B9R1.15 COC1=CC=CNC1=O MCULE-3466893667 [1,1,0,0,0,0|1,0,0]=3 957 B9R1.15 COC1=CC=NNC1=O MCULE-9861780416 [1,1,0,0,0,0|2,0,0]=4 958 B9R1.15 COC1=CNC=NC1=O MCULE-1300174224 [1,1,0,0,0,0|0,0,1]=3 959 B9R1.15 N#CC1=CC=CNC1=O MCULE-3971639231 [1,1,0,0,0,0|1,0,1]=4 960 B9R1.15 N#CC1=CNC=CC1=O MCULE-5038874257 [1,1,0,0,0,0|1,0,1]=4 961 B9R1.15 NCC1=CC=CNC1=O MCULE-6248076104 [1,1,0,0,0,0|1,0,0]=3 962 B9R1.15 NCC1=CC=NNC1=O MCULE-6428527966 [1,1,0,0,0,0|2,0,0]=4 963 B9R1.15 O=C1NC=CC=C1CO MCULE-9196302433 [1,1,0,0,0,0|1,0,0]=3 964 B9R1.15 O=CC1=CC=CNC1=O MCULE-7147009073 [1,1,0,0,0,0|1,0,1]=4 965 B9R1.22 CC1=C(SC(=C1)Br)C=O MCULE-7791555529 [0,1,0,0,1,0|2,0,0]=4 966 B9R1.22 CC1=CC(=C(N1)C)C=O MCULE-8746528639 [0,1,0,0,1,0|2,0,0]=4 967 B9R1.22 CC1=CC(=C(N1)C)CN MCULE-3338941162 [0,1,0,0,1,0|2,0,0]=4 968 B9R1.22 CC1=CC(=C(N1)C=O)C MCULE-3691169080 [0,1,0,0,1,0|1,0,0]=3 969 B9R1.22 CC1=NC(=C(N1)C=O)C MCULE-7085447435 [0,1,0,0,1,0|1,0,1]=4 970 B9R1.22 CCC1=C(NC(=O)N1)C MCULE-1852773802 [0,1,0,0,1,0|1,0,0]=3 971 B9R1.22 CCC1=C(NC(=S)N1)C MCULE-6892324903 [0,1,0,0,1,0|1,1,0]=4 972 B9R1.22 CCC1NC(=O)NC1=O MCULE-7573161756 [0,1,0,0,1,0|0,0,1]=3 973 B9R1.22 CCN1CC(=O)NC1=O MCULE-1851701594 [0,1,0,0,1,0|1,0,1]=4 974 B9R1.22 CC[C@@H]1NC(=O)OC1=O MCULE-8362688943 [0,1,0,0,1,0|1,0,1]=4 975 B9R1.22 CC[C@H]1NC(=O)OC1=O MCULE-2218316523 [0,1,0,0,1,0|1,0,1]=4 976 B9R1.22 COC1=CC(=O)OC1=O MCULE-3106776074 [0,1,0,0,1,0|1,0,0]=3 977 B9R1.22 NCC1CC(=O)NC1=O MCULE-4273797051 [0,1,0,0,1,0|0,0,2]=4 978 B9R1.22 NCC1CC(=O)NC1=O MCULE-5127529700 [0,1,0,0,1,0|0,0,2]=4 979 B9R1.22 NCC1NC(=O)NC1=O MCULE-3949033042 [0,1,0,0,1,0|0,0,1]=3 980 B9R1.22 O=C1C=C(C(=O)O1)CBr MCULE-4178564988 [0,1,0,0,1,0|1,0,0]=3 981 B9R1.22 O=C1NC(=O)/C(=C\Br)/N1 MCULE-7888734075 [0,1,0,0,1,0|0,0,1]=3 982 B9R1.22 O=C1NC(=O)C(=CBr)N1 MCULE-4118151888 [0,1,0,0,1,0|0,0,1]=3 983 B9R1.22 O=C1NC(=O)C(N1)CO MCULE-3745105690 [0,1,0,0,1,0|0,0,1]=3 984 B9R1.22 O=C1NC(=O)[C@@H](N1)CO MCULE-4356522352 [0,1,0,0,1,0|0,0,1]=3 985 B9R1.22 O=C1N[C@@H](C(=O)O1)CCl MCULE-3047027162 [0,1,0,0,1,0|1,0,1]=4 986 B9R1.22 O=C1N[C@H](C(=O)O1)CCl MCULE-4583448386 [0,1,0,0,1,0|1,0,1]=4 987 B9R1.22 O=CC1=C(NC(=O)S1)Cl MCULE-4588050701 [0,1,0,0,1,0|2,0,0]=4 988 B9R1.23 CC1=C(NC(=C1)C=O)C MCULE-6603102591 [0,1,0,0,1,0|1,0,0]=3 989 B9R1.23 CC1=C(NC(=N1)C=O)C MCULE-8604466575 [0,1,0,0,1,0|1,0,1]=4 990 B9R1.23 CC1=C(OC(=C1)C=O)C MCULE-1245783918 [0,1,0,0,1,0|2,0,0]=4 991 B9R1.23 CC1=C(SC(=C1)C=O)Br MCULE-8823683893 [0,1,0,0,1,0|2,0,0]=4 992 B9R1.23 CC1=C(SC(=C1)C=O)C MCULE-9358849275 [0,1,0,0,1,0|2,0,0]=4 993 B9R1.23 CC1=C(SC(=C1)C=O)Cl MCULE-2747523141 [0,1,0,0,1,0|2,0,0]=4 994 B9R1.23 CC1=C/C(=N\O)/NC1=O MCULE-4857085921 [0,1,0,0,1,0|0,0,1]=3 995 B9R1.23 CN1C=C(SC1=O)C=O MCULE-1230936883 [0,1,0,0,1,0|2,0,0]=4 996 B9R1.23 O=CC1=CC(=C(N1)Br)Br MCULE-8863769532 [0,1,0,0,1,0|2,0,0]=4 997 B9R1.36 O=C1NS(=O)(=O)NC1=O MCULE-6405396273 [0,1,0,0,1,0|2,0,0]=4 998 B9R1.37 C1(C(=O)OC(=O)N1C)C MCULE-3598751334 [0,1,0,0,1,0|1,0,1]=4 999 B9R1.37 CC1=C(C(=C(N1)C)C)C MCULE-1579097662 [0,1,0,0,1,0|2,0,0]=4 1000 B9R1.37 CC1=C(C(=O)OC1=O)Br MCULE-4236448899 [0,1,0,0,1,0|1,0,0]=3 1001 B9R1.37 CC1=C(C(=O)OC1=O)C MCULE-9372782914 [0,1,0,0,1,0|1,0,0]=3 1002 B9R1.37 CC1=C(N(C(=O)N1)C)C MCULE-4200291906 [0,1,0,0,1,0|1,0,0]=3 1003 B9R1.37 CC1=C(N(C(=O)N1)C)C MCULE-6554777788 [0,1,0,0,1,0|1,0,0]=3 1004 B9R1.37 CC1=CC(=O)N(C1=O)N MCULE-1955900673 [0,1,0,0,1,0|0,0,0]=2 1005 B9R1.37 CC1=CC(=O)N(C1=O)N MCULE-3848588925 [0,1,0,0,1,0|0,0,0]=2 1006 B9R1.37 CC1C(=O)CC(=O)N1C MCULE-5385796348 [0,1,0,0,1,0|1,0,1]=4 1007 B9R1.37 CC1C(=O)CC(=O)N1C MCULE-6531132040 [0,1,0,0,1,0|1,0,1]=4 1008 B9R1.37 CC1C(=O)NC(=O)C1C MCULE-1244228905 [0,1,0,0,1,0|0,0,2]=4 1009 B9R1.37 CC1C(=O)NC(=O)N1C MCULE-8491807319 [0,1,0,0,1,0|0,0,1]=3 1010 B9R1.37 CC1C(=O)OC(=O)N1C MCULE-1864135953 [0,1,0,0,1,0|1,0,1]=4 1011 B9R1.37 CC1NC(=O)N(C1=O)C MCULE-9574379568 [0,1,0,0,1,0|0,0,1]=3 1012 B9R1.37 CN1C(=O)C=C(C1=O)Br MCULE-6711543006 [0,1,0,0,1,0|1,0,0]=3 1013 B9R1.37 CN1C(=O)C=C(C1=O)N MCULE-4181324260 [0,1,0,0,1,0|1,0,0]=3 1014 B9R1.37 CN1C(=O)NC(=O)C1=O MCULE-3910177119 [0,1,0,0,1,0|1,0,0]=3 1015 B9R1.37 CN1C(=O)NC(=O)C1O MCULE-7416083579 [0,1,0,0,1,0|1,0,1]=4 1016 B9R1.37 CN1CC(=O)N(C1=O)C MCULE-4679697256 [0,1,0,0,1,0|1,0,1]=4 1017 B9R1.37 CN1CC(=O)N(C1=O)N MCULE-1002182902 [0,1,0,0,1,0|1,0,1]=4 1018 B9R1.37 C[C@@H]1C(=O)OC(=O)N1C MCULE-4681877546 [0,1,0,0,1,0|1,0,1]=4 1019 B9R1.37 C[C@@H]1C(=O)OC(=O)N1C MCULE-6732719128 [0,1,0,0,1,0|1,0,1]=4 1020 B9R1.37 C[C@H]1C(=O)OC(=O)N1C MCULE-7917103150 [0,1,0,0,1,0|1,0,1]=4 1021 B9R1.37 C[C@H]1C(=O)OC(=O)N1C MCULE-9101652594 [0,1,0,0,1,0|1,0,1]=4 1022 B9R1.37 NN1C(=O)NC(=O)C1=O MCULE-8303778577 [0,1,0,0,1,0|1,0,0]=3 1023 B9R1.37 O=C1CC(=O)C(=C1Cl)Cl MCULE-2441107407 [0,1,0,0,1,0|2,0,0]=4 1024 B9R1.37 O=C1NC(=O)C(=C1Br)Br MCULE-9909317409 [0,1,0,0,1,0|1,0,0]=3 1025 B9R1.37 O=C1NC(=O)C(=C1Cl)Cl MCULE-3248050786 [0,1,0,0,1,0|1,0,0]=3 1026 B9R1.37 O=C1OC(=O)C(=C1Br)Br MCULE-7801791381 [0,1,0,0,1,0|2,0,0]=4 1027 B9R1.37 O=C1OC(=O)C(=C1Cl)Cl MCULE-3675808148 [0,1,0,0,1,0|2,0,0]=4 1028 B9R1.37 O=C1OC(=O)C(=C1F)F MCULE-6538599714 [0,1,0,0,1,0|2,0,0]=4 1029 B9R1.37 O=C1SC(=O)C(=C1Cl)Cl MCULE-4755150756 [0,1,0,0,1,0|2,0,0]=4 1030 B9R1.38 CC1(CC(=O)NC1=O)Br MCULE-2450694121 [0,1,0,0,1,0|0,0,2]=4 1031 B9R1.38 CC1(CC(=O)NC1=O)C MCULE-3157279987 [0,1,0,0,1,0|0,0,2]=4 1032 B9R1.38 CC1(NC(=O)CC1=O)C MCULE-8883060941 [0,1,0,0,1,0|1,0,1]=4 1033 B9R1.38 CC1(NC(=O)NC1=O)C MCULE-9870409973 [0,1,0,0,1,0|0,0,1]=3 1034 B9R1.38 CC1(NC(=S)NC1=O)C MCULE-8133524359 [0,1,0,0,1,0|0,1,1]=4 1035 B9R1.38 CC1(OC(=O)NC1=O)C MCULE-2681916511 [0,1,0,0,1,0|1,0,1]=4 1036 B9R1.38 CC1(SC(=O)NC1=O)C MCULE-6487661721 [0,1,0,0,1,0|1,0,1]=4 1037 B9R1.27 C(=O)C1=C(NN=C1C)C MCULE-7475340051 [0,1,0,0,1,0|2,0,0]=4 1038 B9R1.27 CC1=CNC(=C1C#N)C MCULE-7682952267 [0,1,0,0,1,0|2,0,0]=4 1039 B9R1.27 CC1=CNC(=C1C#N)N MCULE-8899380010 [0,1,0,0,1,0|2,0,0]=4 1040 B9R1.27 CC1=COC(=C1C=O)C MCULE-9918167650 [0,1,0,0,1,0|2,0,0]=4 1041 B9R1.27 CC1=CSC(=O)N1C=O MCULE-9038899963 [0,1,0,0,1,0|2,0,0]=4 1042 B9R1.27 CC1=NNC(=C1C=O)C MCULE-4817875242 [0,1,0,0,1,0|2,0,0]=4 1043 B9R1.27 CC1=NNC(=C1C=O)O MCULE-2457121559 [0,1,0,0,1,0|1,0,1]=4 1044 B9R1.27 CC1=NNC(=C1N=O)C MCULE-6975748914 [0,1,0,0,1,0|2,0,0]=4 1045 B9R1.27 CC1=NNC(=O)C1N=O MCULE-6905606749 [0,1,0,0,1,0|1,0,1]=4 1046 B9R1.27 CCC1=C(CNC1=O)C MCULE-5181429749 [0,1,0,0,1,0|1,0,1]=4 1047 B9R1.27 CCC1=C(NC=C1C)C MCULE-3491644631 [0,1,0,0,1,0|2,0,0]=4 1048 B9R1.27 CC\1=NNC(=O)/C1=N/O MCULE-8779158251 [0,1,0,0,1,0|1,0,1]=4 1049 B9R1.132 CC1=CNC(=C1C)C#N MCULE-9659623510 [0,1,0,0,1,0|2,0,0]=4 1050 B9R1.132 CC1=CNC(=C1C)C=O MCULE-7307591897 [0,1,0,0,1,0|1,0,0]=3 1051 B9R1.132 CC1=CSC(=C1Cl)C=O MCULE-8374149086 [0,1,0,0,1,0|2,0,0]=4 1052 B9R1.132 CC1=NNC(=C1Br)C=O MCULE-5774116667 [0,1,0,0,1,0|2,0,0]=4 1053 B9R1.132 CC1=NNC(=C1C)C=O MCULE-8681573471 [0,1,0,0,1,0|2,0,0]=4 1054 B9R1.132 CC1=NNC(=C1Cl)C=O MCULE-5850573888 [0,1,0,0,1,0|2,0,0]=4 1055 B9R1.132 CCC1=C(C(=O)NC1)C MCULE-7695528957 [0,1,0,0,1,0|1,0,1]=4 1056 B9R1.138 CC1(CNC(=O)C1=O)C MCULE-2391669444 [0,1,0,0,1,0|0,0,2]=4 1057 B11R1.8 CC1=C(NC(=O)NC1=O)CCl MCULE-8748721239 [0,2,0,0,0,0|0,0,0]=2 1058 B11R1.8 CC1=C(NC(=O)NC1=O)CO MCULE-2105308817 [0,2,0,0,0,0|0,0,0]=2 1059 B11R1.8 CCC1=CC(=O)NC(=O)N1C MCULE-8533980518 [0,2,0,0,0,0|2,0,0]=4 1060 B11R1.8 CNC1=CC(=O)NC(=O)N1C MCULE-4926647996 [0,2,0,0,0,0|2,0,0]=4 1061 B11R1.8 COC1=CC(=O)NC(=O)N1C MCULE-8288899269 [0,2,0,0,0,0|2,0,0]=4 1062 B11R1.8 NC1=C(NC(=O)NC1=O)N=O MCULE-6121726165 [0,2,0,0,0,0|1,0,0]=3 1063 B11R1.8 O=C1NC(=O)C(=C(N1)CCl)Cl MCULE-2767621981 [0,2,0,0,0,0|1,0,0]=3 1064 B11R1.8 O=C1NC(=O)C(=C(N1)CO)O MCULE-8946189974 [0,2,0,0,0,0|1,0,0]=3 1065 B11R1.14 CC1=C(C(=O)NC(=N1)NN)C MCULE-5849123625 [0,2,0,0,0,0|1,0,1]=4 1066 B11R1.14 COC1=NC(=C(C(=O)N1)C)N MCULE-6176192612 [0,2,0,0,0,0|0,0,2]=4 1067 B11R1.14 CSC1=NC(=C(C(=O)N1)C)C MCULE-1036220144 [0,2,0,0,0,0|0,1,1]=4 1068 B11R1.32 CC1=C(C(=O)N(C(=N1)N)C)C MCULE-2213306943 [0,2,0,0,0,0|1,0,1]=4 1069 B11R1.32 CC1=C(N(C(=O)NC1=O)C)Br MCULE-6334969144 [0,2,0,0,0,0|0,0,0]=2 1070 B11R1.32 CC1=C(N(C(=O)NC1=O)C)N MCULE-3130212976 [0,2,0,0,0,0|0,0,0]=2 1071 B11R1.32 CC1=C(N(C(=O)NC1=O)C)N MCULE-7800528537 [0,2,0,0,0,0|0,0,0]=2 1072 B11R1.32 CC1=CC(=O)N(C(=O)N1C)C MCULE-4714441014 [0,2,0,0,0,0|2,0,0]=4 1073 B11R1.32 CC1=CN(C(=O)N(C1=O)C)C MCULE-5441537726 [0,2,0,0,0,0|0,0,0]=2 1074 B11R1.32 CN1C(=O)C=C(N(C1=O)C)Br MCULE-9516826642 [0,2,0,0,0,0|2,0,0]=4 1075 B11R1.32 CN1C(=O)C=C(N(C1=O)C)Cl MCULE-3164311836 [0,2,0,0,0,0|2,0,0]=4 1076 B11R1.32 CN1C(=O)C=C(N(C1=O)C)N MCULE-8108343390 [0,2,0,0,0,0|2,0,0]=4 1077 B11R1.32 CN1C(=O)C=C(N(C1=O)C)O MCULE-5815758659 [0,2,0,0,0,0|2,0,0]=4 1078 B11R1.32 CN1C(=O)CC(=O)N(C1=O)C MCULE-3191908018 [0,2,0,0,0,0|2,0,0]=4 1079 B11R1.32 CN1C(=O)CC(=O)N(C1=S)C MCULE-1123438277 [0,2,0,0,0,0|2,0,0]=4 1080 B11R1.32 CN1C(=O)CC(=S)N(C1=O)C MCULE-6102004526 [0,2,0,0,0,0|2,0,0]=4 1081 B11R1.32 CN1C(=O)NC(=C(C1=O)Cl)Cl MCULE-6608613468 [0,2,0,0,0,0|1,0,0]=3 1082 B11R1.32 CN1C(=O)NC(=C(C1=O)N)N MCULE-6292306510 [0,2,0,0,0,0|1,0,0]=3 1083 B11R1.32 CN1C(=O)NC(=O)C(=C1N)Br MCULE-9632547087 [0,2,0,0,0,0|1,0,0]=3 1084 B11R1.32 CN1C(=O)NC(=O)C(=C1N)N MCULE-1843362847 [0,2,0,0,0,0|1,0,0]=3 1085 B11R1.32 CN1C(=O)NC(=O)C(=C1[O-])[NH3+] MCULE-3669749545 [0,2,0,0,0,0|1,0,0]=3 1086 B11R1.32 CN1C(=O)NC(=O)N(C1=O)C MCULE-6595211067 [0,2,0,0,0,0|1,0,0]=3 1087 B11R1.32 CN1C(=S)NC(=O)C(=C1N)N MCULE-9863179419 [0,2,0,0,0,0|1,1,0]=4 1088 B11R1.32 CN1C=C(C(=O)N(C1=O)C)Br MCULE-7108653216 [0,2,0,0,0,0|1,0,0]=3 1089 B11R1.32 CN1C=C(C(=O)N(C1=O)C)Cl MCULE-5291463728 [0,2,0,0,0,0|1,0,0]=3 1090 B11R1.32 CN1C=C(C(=O)N(C1=O)C)F MCULE-2659877221 [0,2,0,0,0,0|1,0,0]=3 1091 B11R1.32 CN1C=C(C(=O)N(C1=O)C)I MCULE-3611872190 [0,2,0,0,0,0|1,0,0]=3 1092 B11R1.32 CN1C=C(C(=O)N(C1=O)C)N MCULE-3031672548 [0,2,0,0,0,0|1,0,0]=3 1093 B11R1.32 CN1C=C(C(=O)N(C1=O)C)N MCULE-8437637535 [0,2,0,0,0,0|1,0,0]=3 1094 B11R1.32 CN1C=C(C(=O)N(C1=O)C)O MCULE-3762331050 [0,2,0,0,0,0|1,0,0]=3 1095 B11R1.32 CN1N=C(C(=O)N(C1=O)C)Br MCULE-1406388871 [0,2,0,0,0,0|2,0,0]=4 1096 B11R1.32 CN1N=C(C(=O)N(C1=O)C)N MCULE-5456147723 [0,2,0,0,0,0|2,0,0]=4 1097 B11R1.32 O=C1NC(=O)N(C(=O)N1Br)Br MCULE-3230631991 [0,2,0,0,0,0|2,0,0]=4 1098 B11R1.32 O=C1NC(=O)N(C(=O)N1Cl)Cl MCULE-1506706385 [0,2,0,0,0,0|2,0,0]=4 1099 B11R1.325 O=C1NC(=O)C(=O)C(N1)(O)O MCULE-4768389690 [0,2,0,0,0,0|1,0,1]=4 1100 B11R1.464 CC1=C(C(=O)NC(=O)N1)C#N MCULE-7141137597 [0,2,0,0,0,0|0,0,1]=3 1101 B11R1.464 CC1=C(C(=O)NC(=O)N1)C=O MCULE-8837004520 [0,2,0,0,0,0|0,0,1]=3 1102 B11R1.464 CC1=C(C(=O)NC(=O)N1)CBr MCULE-8120864612 [0,2,0,0,0,0|0,0,0]=2 1103 B11R1.464 CC1=C(C(=O)NC(=O)N1)CN MCULE-3036586197 [0,2,0,0,0,0|0,0,0]=2 1104 B11R1.464 CC1=C(C(=O)NC(=O)N1)CN MCULE-9277898866 [0,2,0,0,0,0|0,0,0]=2 1105 B11R1.464 CC1=CC(=C(C(=O)N1)CN)C MCULE-1373808929 [0,2,0,0,0,0|2,0,0]=4 1106 B11R1.464 CC1=CC(=C(C(=O)N1)CN)C MCULE-3681074903 [0,2,0,0,0,0|2,0,0]=4 1107 B11R1.464 CC1=CC(=C(C(=O)N1)CN)C MCULE-4643535724 [0,2,0,0,0,0|2,0,0]=4 1108 B11R1.464 CCC1=C(N=C(NC1=O)N)C MCULE-1764968764 [0,2,0,0,0,0|1,0,1]=4 1109 B11R1.464 CCC1=C(N=C(NC1=O)S)C MCULE-3533847048 [0,2,0,0,0,0|0,1,1]=4 1110 B11R1.464 CCC1=C(NC(=O)NC1=O)Cl MCULE-4326893586 [0,2,0,0,0,0|0,0,0]=2 1111 B11R1.464 CCC1C(=O)NC(=O)NC1=O MCULE-8814164989 [0,2,0,0,0,0|0,0,1]=3 1112 B11R1.464 CCC1C(=O)NC(=O)NC1Cl MCULE-1378766306 [0,2,0,0,0,0|0,0,2]=4 1113 B11R1.464 CCN1C(=O)CC(=O)NC1=O MCULE-2482375358 [0,2,0,0,0,0|2,0,0]=4 1114 B11R1.464 CCN1C(=O)CC(=O)NC1=S MCULE-4994427435 [0,2,0,0,0,0|2,0,0]=4 1115 B11R1.464 CCN1C(=O)NC(=O)C=C1N MCULE-1912257453 [0,2,0,0,0,0|2,0,0]=4 1116 B11R1.464 CCN1C(=O)NC(=O)C=C1[O-] MCULE-6067127716 [0,2,0,0,0,0|2,0,0]=4 1117 B11R1.464 COC1=C(N=C(NC1=O)C)O MCULE-2518093997 [0,2,0,0,0,0|1,0,1]=4 1118 B11R1.464 NC1=C(C(=O)NC(=O)N1)C=O MCULE-1496612859 [0,2,0,0,0,0|0,0,1]=3 1119 B11R1.464 NC=C1C(=O)NC(=O)NC1=O MCULE-1330083153 [0,2,0,0,0,0|0,0,1]=3 1120 B11R1.464 O=C1NC(=O)C(=NO)C(=O)N1 MCULE-7138709364 [0,2,0,0,0,0|1,0,0]=3 1121 B11R1.464 O=C1NC(=S)NC(=O)C1=NO MCULE-4474864402 [0,2,0,0,0,0|1,1,0]=4 1122 B11R1.464 O=CC1C(=O)NC(=O)NC1=O MCULE-3411679664 [0,2,0,0,0,0|0,0,2]=4 1123 B11R1.553 CC1(C(=O)NC(=O)NC1=O)C MCULE-6485766357 [0,2,0,0,0,0|0,0,1]=3 1124 B11R1.553 CC1(C(=O)NC(=O)NC1F)F MCULE-7865847303 [0,2,0,0,0,0|0,0,2]=4 1125 B11R1.553 CC1(C(=O)NC(=S)NC1=O)C MCULE-5694803091 [0,2,0,0,0,0|0,1,1]=4 1126 B11R1.553 O=C1NC(=O)C(C(=O)N1)(Br)Br MCULE-8346351406 [0,2,0,0,0,0|1,0,1]=4 1127 B11R1.553 O=C1NC(=O)C(C(=O)N1)(F)F MCULE-6947611615 [0,2,0,0,0,0|1,0,1]=4 1128 B11R1.553 O=C1NC(=O)C(C(=O)N1)(O)O MCULE-6660159645 [0,2,0,0,0,0|1,0,1]=4 1129 B11R1.81 C#CCN1C=CC(=O)NC1=O MCULE-2334071450 [0,2,0,0,0,0|2,0,0]=4 1130 B11R1.81 C=CCN1C=CC(=O)NC1=O MCULE-7869601563 [0,2,0,0,0,0|2,0,0]=4 1131 B11R1.81 CC#CC1=C(NC(=O)N=C1)N MCULE-7280472268 [0,2,0,0,0,0|1,0,1]=4 1132 B11R1.81 CC#CC1=CNC(=O)NC1=O MCULE-8358817835 [0,2,0,0,0,0|0,0,0]=2 1133 B11R1.81 CC=CC1=CNC(=O)NC1=O MCULE-4721530440 [0,2,0,0,0,0|0,0,0]=2 1134 B11R1.81 CCCC1=CNC(=O)NC1=O MCULE-8394981937 [0,2,0,0,0,0|0,0,0]=2 1135 B11R1.81 CCCC1=CNC(=S)NC1=O MCULE-2990631990 [0,2,0,0,0,0|0,1,0]=3 1136 B11R1.81 CCCN1C=CC(=O)NC1=O MCULE-3068427139 [0,2,0,0,0,0|2,0,0]=4 1137 B11R1.81 CCSC1=NNC(=O)NC1=S MCULE-9123810567 [0,2,0,0,0,0|1,1,0]=4 1138 B11R1.81 COCN1C=CC(=O)NC1=O MCULE-5880984583 [0,2,0,0,0,0|2,0,0]=4 1139 B11R1.81 N#CCN1C=CC(=O)NC1=O MCULE-6949224778 [0,2,0,0,0,0|2,0,0]=4 1140 B11R1.81 N#CSC1=CNC(=O)NC1=O MCULE-9970752556 [0,2,0,0,0,0|0,0,1]=3 1141 B11R1.81 NC1=NC=C(C(=O)N1)CCCl MCULE-1600246575 [0,2,0,0,0,0|1,0,1]=4 1142 B11R1.81 NCCC1=CNC(=O)NC1=O MCULE-3530218801 [0,2,0,0,0,0|0,0,0]=2 1143 B11R1.81 NCCN1C=CC(=O)NC1=O MCULE-1453792924 [0,2,0,0,0,0|2,0,0]=4 1144 B11R1.81 NCCN1C=CC(=O)NC1=O MCULE-4499625116 [0,2,0,0,0,0|2,0,0]=4 1145 B11R1.81 O=C1C=CN(C(=O)N1)CCBr MCULE-1690234327 [0,2,0,0,0,0|2,0,0]=4 1146 B11R1.81 O=C1C=CN(C(=O)N1)CCO MCULE-3761422220 [0,2,0,0,0,0|2,0,0]=4 1147 B11R1.81 O=C1N=C(NC=C1CCO)Cl MCULE-9455106384 [0,2,0,0,0,0|1,0,1]=4 1148 B11R1.81 O=C1N=CC(=C(N1)O)CCO MCULE-4941891479 [0,2,0,0,0,0|0,0,2]=4 1149 B11R1.81 O=C1NC=C(C(=O)N1)C=CBr MCULE-8691433423 [0,2,0,0,0,0|0,0,1]=3 1150 B11R1.81 O=C1NC=C(C(=O)N1)CCBr MCULE-6227911247 [0,2,0,0,0,0|0,0,0]=2 1151 B11R1.81 O=CNC1=CNC(=O)NC1=O MCULE-2332240580 [0,2,0,0,0,0|0,0,1]=3 1152 B11R1.166 CC(=O)C1=C(NC(=O)C=C1)C MCULE-1239272915 [0,2,0,0,0,0|2,0,0]=4 1153 B11R1.166 CC(=O)C1=CC=C(NC1=O)C MCULE-3620410935 [0,2,0,0,0,0|2,0,0]=4 1154 B11R1.166 CC(=O)C1=CNC(=CC1=O)Cl MCULE-9021217439 [0,2,0,0,0,0|2,0,0]=4 1155 B11R1.166 CC(=O)C1=CNC(=O)N=C1C MCULE-1661431046 [0,2,0,0,0,0|1,0,1]=4 1156 B11R1.166 CC(=O)C1=CNC(=O)NC1=O MCULE-1649935554 [0,2,0,0,0,0|0,0,0]=2 1157 B11R1.166 CC(=O)N1C=CC(=O)NC1=O MCULE-1020737572 [0,2,0,0,0,0|2,0,0]=4 1158 B11R1.166 CC(C)C1=CN=C(NC1=O)S MCULE-1329964250 [0,2,0,0,0,0|0,1,1]=4 1159 B11R1.166 CC(C)C1=CNC(=O)NC1=O MCULE-3947572766 [0,2,0,0,0,0|0,0,0]=2 1160 B11R1.166 CC(C)N1C=CC(=O)NC1=O MCULE-9349600179 [0,2,0,0,0,0|2,0,0]=4 1161 B11R1.166 CN(C)C1=CNC(=O)NC1=O MCULE-4069013031 [0,2,0,0,0,0|0,0,0]=2 1162 B11R1.166 NC(=O)C1=CNC(=S)NC1=O MCULE-4921249657 [0,2,0,0,0,0|0,1,1]=4 1163 B11R1.166 O=C(O)C1=CNC(=S)NC1=O MCULE-9382232313 [0,2,0,0,0,0|0,1,1]=4 1164 B11R1.166 O=C1C=CC(=C(N1)Cl)C(F)F MCULE-1503749308 [0,2,0,0,0,0|2,0,0]=4 1165 B11R1.166 O=C1C=CC(=C(O)O)C(=O)N1 MCULE-9157421658 [0,2,0,0,0,0|1,0,1]=4 1166 B11R1.166 O=C1NC=C(C(=O)N1)B(O)O MCULE-8246711181 [0,2,0,0,0,0|1,0,0]=3 1167 B11R1.166 O=C1NC=C(C(=O)N1)N(=O)=O MCULE-2585658755 [0,2,0,0,0,0|1,0,0]=3 1168 B11R1.166 O=C1NN=C(C(=O)N1)N(=O)=O MCULE-5318888276 [0,2,0,0,0,0|2,0,0]=4 1169 B11R1.277 CC1=C(NC(=O)C(=C1)C#N)C MCULE-2494724691 [0,2,0,0,0,0|2,0,0]=4 1170 B11R1.277 CC1=C(NC(=O)C(=C1)CN)C MCULE-4160011534 [0,2,0,0,0,0|2,0,0]=4 1171 B11R1.277 CN1C=C(C(=O)NC1=O)C#N MCULE-7145262827 [0,2,0,0,0,0|0,0,1]=3 1172 B11R1.277 CN1C=C(C(=O)NC1=O)CN MCULE-1884366258 [0,2,0,0,0,0|0,0,0]=2 1173 B11R1.277 CN1C=C(C(=O)NC1=O)CN MCULE-6995014333 [0,2,0,0,0,0|0,0,0]=2 1174 B11R1.278 CC1=CC=C(C(=O)N1C)CN MCULE-8215239804 [0,2,0,0,0,0|2,0,0]=4 1175 B11R1.278 CC1=CC=C(C(=O)N1C)CN MCULE-9758093812 [0,2,0,0,0,0|2,0,0]=4 1176 B11R1.278 CC1=CNC(=C(C1=O)C)CCl MCULE-2514164905 [0,2,0,0,0,0|2,0,0]=4 1177 B11R1.278 CC1=CNC(=C(C1=O)C)CCl MCULE-7713458884 [0,2,0,0,0,0|2,0,0]=4 1178 B11R1.278 CC1=CNC(=C(C1=O)C)CN MCULE-6197579325 [0,2,0,0,0,0|2,0,0]=4 1179 B11R1.278 CC1=CNC(=C(C1=O)C)CN MCULE-6830971570 [0,2,0,0,0,0|2,0,0]=4 1180 B11R1.278 CC1=CNC(=C(C1=O)C)CN MCULE-7771523851 [0,2,0,0,0,0|2,0,0]=4 1181 B11R1.278 CC1=CNC(=C(C1=O)C)CO MCULE-5081067801 [0,2,0,0,0,0|1,0,1]=4 1182 B11R1.278 CCC1=NNC(=O)N(C1=O)N MCULE-5795926485 [0,2,0,0,0,0|1,0,0]=3 1183 B11R1.278 CCC1=NNC(=S)N(C1=O)N MCULE-2153024849 [0,2,0,0,0,0|1,1,0]=4 1184 B11R1.278 CN1C(=O)NC=C(C1=O)C#N MCULE-1234747754 [0,2,0,0,0,0|0,0,1]=3 1185 B11R1.279 COC1=CN=C(NC1=O)OC MCULE-9773014318 [0,2,0,0,0,0|0,0,2]=4 1186 B11R1.279 COC1=CNC(=CC1=O)CCl MCULE-5750261311 [0,2,0,0,0,0|2,0,0]=4 1187 B11R1.279 COC1=CNC(=CC1=O)CO MCULE-8929964034 [0,2,0,0,0,0|1,0,1]=4 1188 B11R1.279 COC1=COC(=CC1=O)C=O MCULE-9498283259 [0,2,0,0,0,0|2,0,0]=4 1189 B11R1.72 CCN1C(=O)C(=NNC1=S)C MCULE-6793292234 [0,2,0,0,0,0|1,1,0]=4 1190 B11R1.167 CC1=C(OC(=O)C=C1)C(=O)O MCULE-9993817975 [0,2,0,0,0,0|2,0,0]=4 1191 B11R1.167 O=C1C=C(C(=CN1)Br)C(=O)O MCULE-5737352913 [0,2,0,0,0,0|2,0,0]=4 1192 B11R1.167 O=C1C=CC(=C(N1)C(=O)O)F MCULE-7084782558 [0,2,0,0,0,0|2,0,0]=4 1193 B11R1.21 CC1=CC=C(NC1=O)C(=O)O MCULE-6187964907 [0,2,0,0,0,0|1,0,0]=3 1194 B11R1.21 O=C(O)C1=CC(=O)C(=CN1)O MCULE-7068244192 [0,2,0,0,0,0|2,0,0]=4 1195 B11R1.21 O=C(O)C1=CC=C(C(=O)N1)Cl MCULE-7545589568 [0,2,0,0,0,0|2,0,0]=4 1196 B11R1.21 O=C(O)C1=CC=C(C(=O)N1)O MCULE-5144413741 [0,2,0,0,0,0|2,0,0]=4 1197 B9R1.6 NC(=O)C1=CNC=CC1 MCULE-5235252463 [0,0,1,1,0,0|1,0,0]=3 1198 B9R1.6 NC(=O)C1=CNCCC1 MCULE-5396085408 [0,0,1,1,0,0|1,0,1]=4 1199 B9R1.35 NC(=O)C1CNC(=O)C1 MCULE-2954653092 [0,0,1,1,0,0|0,0,2]=4 1200 B9R1.35 O=C1CC(=NN1)C(=O)O MCULE-2135539733 [0,0,1,1,0,0|2,0,0]=4 1201 B9R1.35 O=C1NC=C(N1)C(=O)O MCULE-2879870126 [0,0,1,1,0,0|2,0,0]=4 1202 B9R1.35 O=C1NC=C(O1)C(=O)O MCULE-1855563319 [0,0,1,1,0,0|2,0,0]=4 1203 B11R2.610 C12CCC1C(=O)NC(=O)N2 MCULE-1127606803 [0,1,0,1,0,0|0,0,2]=4 1204 B11R2.610 [C@H]12CC[C@H]1NC(=O)NC2=O MCULE-5612691363 [0,1,0,1,0,0|0,0,2]=4 1205 B11R2.610 [C@H]12CC[C@H]1NC(=O)NC2=O MCULE-9441655580 [0,1,0,1,0,0|0,0,2]=4 1206 B11R2.36 O=C1C=CC2=C(N1)CCC2 MCULE-7683045217 [0,1,0,1,0,0|2,0,0]=4 1207 B11R2.125 O=C1C=CC2(CC2)C(=O)N1 MCULE-2907330740 [0,1,0,1,0,0|1,0,1]=4 1208 B7R1.2 CC1=CC(=NN1)C MCULE-4873265902 [1,0,0,0,1,0|2,0,0]=4 1209 B7R1.2 CC1=CC(=NN1)C MCULE-8100496522 [1,0,0,0,1,0|2,0,0]=4 1210 B7R1.2 CC1=CC(=O)CC1 MCULE-5496838191 [1,0,0,0,1,0|1,0,1]=4 1211 B7R1.2 CC1=CC(=O)CO1 MCULE-6570401610 [1,0,0,0,1,0|2,0,0]=4 1212 B7R1.2 CC1=CC(=O)N=N1 MCULE-8356895370 [1,0,0,0,1,0|1,0,1]=4 1213 B7R1.2 CC1=CC(=O)NO1 MCULE-4569959155 [1,0,0,0,1,0|1,0,0]=3 1214 B7R1.2 CC1=CC(=O)OC1 MCULE-6549202383 [1,0,0,0,1,0|1,0,1]=4 1215 B7R1.2 CC1=CC=C(N1)C MCULE-2630115640 [1,0,0,0,1,0|2,0,0]=4 1216 B7R1.2 CC1=CC=C(N1)Cl MCULE-6650692655 [1,0,0,0,1,0|2,0,0]=4 1217 B7R1.2 CC1=CCC(=O)O1 MCULE-5954539189 [1,0,0,0,1,0|2,0,0]=4 1218 B7R1.2 CC1=CCC(=O)O1 MCULE-7236091694 [1,0,0,0,1,0|2,0,0]=4 1219 B7R1.2 CC1=CCC(=O)S1 MCULE-5812502919 [1,0,0,0,1,0|2,0,0]=4 1220 B7R1.2 CC1=CN=C(N1)N MCULE-5849111364 [1,0,0,0,1,0|1,0,1]=4 1221 B7R1.2 CC1=CN=C(N1)N MCULE-9885122590 [1,0,0,0,1,0|1,0,1]=4 1222 B7R1.2 CC1=CNC(=C1)C MCULE-6480137920 [1,0,0,0,1,0|1,0,0]=3 1223 B7R1.2 CC1=CNC(=N1)Br MCULE-2148866894 [1,0,0,0,1,0|1,0,1]=4 1224 B7R1.2 CC1=CNC(=N1)C MCULE-1883967566 [1,0,0,0,1,0|1,0,1]=4 1225 B7R1.2 CC1=CNC(=N1)I MCULE-7172464469 [1,0,0,0,1,0|1,0,1]=4 1226 B7R1.2 CC1=CNC(=N1)N MCULE-2945170552 [1,0,0,0,1,0|1,0,1]=4 1227 B7R1.2 CC1=CNC(=N1)S MCULE-1670645296 [1,0,0,0,1,0|0,1,1]=4 1228 B7R1.2 CC1=CNC(=O)N1 MCULE-7571832495 [1,0,0,0,1,0|0,0,0]=2 1229 B7R1.2 CC1=COC(=C1)C MCULE-9104872009 [1,0,0,0,1,0|2,0,0]=4 1230 B7R1.2 CC1=COC(=N)N1 MCULE-2875662146 [1,0,0,0,1,0|2,0,0]=4 1231 B7R1.2 CC1=CSC(=C1)Br MCULE-1301546959 [1,0,0,0,1,0|2,0,0]=4 1232 B7R1.2 CC1=CSC(=C1)C MCULE-9938369670 [1,0,0,0,1,0|2,0,0]=4 1233 B7R1.2 CC1=CSC(=C1)Cl MCULE-8287471659 [1,0,0,0,1,0|2,0,0]=4 1234 B7R1.2 CC1=CSC(=C1)N MCULE-6517545234 [1,0,0,0,1,0|2,0,0]=4 1235 B7R1.2 CC1=CSC(=C1)N MCULE-8640058932 [1,0,0,0,1,0|2,0,0]=4 1236 B7R1.2 CC1=CSC(=C1)O MCULE-1324476521 [1,0,0,0,1,0|1,0,1]=4 1237 B7R1.2 CC1=CSC(=O)N1 MCULE-6083480700 [1,0,0,0,1,0|1,0,0]=3 1238 B7R1.2 CC1=NC(=O)NN1 MCULE-7112378155 [1,0,0,0,1,0|1,0,1]=4 1239 B7R1.2 CC1=NNC(=C1)Cl MCULE-9047691966 [1,0,0,0,1,0|2,0,0]=4 1240 B7R1.2 CC1=NNC(=C1)I MCULE-7626013113 [1,0,0,0,1,0|2,0,0]=4 1241 B7R1.2 CC1=NNC(=C1)N MCULE-5982415678 [1,0,0,0,1,0|2,0,0]=4 1242 B7R1.2 CC1=NNC(=C1)N MCULE-8265446300 [1,0,0,0,1,0|2,0,0]=4 1243 B7R1.2 CC1=NNC(=C1)N MCULE-8755398394 [1,0,0,0,1,0|2,0,0]=4 1244 B7R1.2 CC1=NNC(=C1)O MCULE-6802545425 [1,0,0,0,1,0|1,0,1]=4 1245 B7R1.2 CC1=NNC(=O)C1 MCULE-2406140611 [1,0,0,0,1,0|1,0,1]=4 1246 B7R1.2 CC1CNC(=O)N1 MCULE-3789430210 [1,0,0,0,1,0|0,0,2]=4 1247 B7R1.2 CN1C=NC(=O)N1 MCULE-8089843600 [1,0,0,0,1,0|1,0,1]=4 1248 B7R1.2 NC1=CC(=O)NN1 MCULE-6721529473 [1,0,0,0,1,0|2,0,0]=4 1249 B7R1.2 NC1=NNC(=O)N1 MCULE-9633941721 [1,0,0,0,1,0|2,0,0]=4 1250 B7R1.2 O=C1C=C(CN1)Br MCULE-7250904402 [1,0,0,0,1,0|1,0,1]=4 1251 B7R1.2 O=C1C=C(CN1)O MCULE-4305405716 [1,0,0,0,1,0|1,0,1]=4 1252 B7R1.2 O=C1C=C(SN1)Cl MCULE-6118293142 [1,0,0,0,1,0|2,0,0]=4 1253 B7R1.2 O=C1C=CC(=O)N1 MCULE-3677915339 [1,0,0,0,1,0|2,0,0]=4 1254 B7R1.2 O=C1CNC(=O)N1 MCULE-6812812243 [1,0,0,0,1,0|1,0,1]=4 1255 B7R1.2 O=C1NC(=CS1)O MCULE-2237666080 [1,0,0,0,1,0|2,0,0]=4 1256 B7R1.2 O=C1NC=C(S1)Cl MCULE-7571560638 [1,0,0,0,1,0|2,0,0]=4 1257 B7R1.2 O=C1NCC(=S)N1 MCULE-9753398150 [1,0,0,0,1,0|1,0,1]=4 1258 B7R1.2 O=C1NN=C(N1)Br MCULE-1124720587 [1,0,0,0,1,0|2,0,0]=4 1259 B7R1.2 O=C1NN=C(N1)Cl MCULE-5593292847 [1,0,0,0,1,0|2,0,0]=4 1260 B7R1.2 O=C1NNC(=O)N1 MCULE-5611157961 [1,0,0,0,1,0|2,0,0]=4 1261 B7R1.2 O=C1NOC(=O)N1 MCULE-5599103299 [1,0,0,0,1,0|2,0,0]=4 1262 B7R1.4 CC1=C(NC=C1)C MCULE-3747569551 [1,0,0,0,1,0|2,0,0]=4 1263 B7R1.4 CC1=CNNC1=O MCULE-9098077492 [1,0,0,0,1,0|2,0,0]=4 1264 B7R1.4 CN1C=CNC1=O MCULE-9198950029 [1,0,0,0,1,0|2,0,0]=4 1265 B7R1.4 CN1NC=CC1=O MCULE-4425265471 [1,0,0,0,1,0|2,0,0]=4 1266 B7R1.4 NC1=CNNC1=O MCULE-5341060497 [1,0,0,0,1,0|2,0,0]=4 1267 B7R1.4 NC1=CNNC1=O MCULE-9560987259 [1,0,0,0,1,0|2,0,0]=4 1268 B7R1.4 O=C1CCNC1=O MCULE-6243503430 [1,0,0,0,1,0|0,0,2]=4 1269 B7R1.15 O=C1C=C(C1=O)O MCULE-3440355716 [0,0,0,0,2,0|1,0,0]=3 1270 B7R1.15 O=C1C=C(C1=O)[O-] MCULE-9991893223 [0,0,0,0,2,0|1,0,0]=3 1271 B9R0.53 CC(=O)CC(=O)NC(=O)C MCULE-5043942110 [0,0,1,0,0,1|2,0,0]=4 1272 B9R0.53 CC(=O)NC(=O)NC(=O)C MCULE-1033848283 [0,0,1,0,0,1|2,0,0]=4 1273 B9R0.53 NC(=O)NC(=O)NC(=O)N MCULE-9269358670 [0,0,1,0,0,1|2,0,0]=4