0 B8R1.4 C1(CC(=O)CCN1)C MCULE-1061296374 [0,0,0,0,0,0|2,0,1]=3 1 B8R1.4 C1(CC(=O)CCN1)C MCULE-4465075512 [0,0,0,0,0,0|2,0,1]=3 2 B8R1.4 C1(CC(=O)CCN1)C MCULE-9958407361 [0,0,0,0,0,0|2,0,1]=3 3 B8R1.4 C1(CNCC(=O)N1)C MCULE-3246707428 [0,0,0,0,0,0|3,0,1]=4 4 B8R1.4 C=C1CCCC(=O)O1 MCULE-1342678884 [0,0,0,0,0,0|3,0,0]=3 5 B8R1.4 CC1=CC(=O)CCC1 MCULE-6849313207 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.4 CC1=CC(=O)NC=N1 MCULE-4546584000 [0,0,0,0,0,0|3,0,1]=4 7 B8R1.4 CC1=CC(=O)NN=C1 MCULE-4739919200 [0,0,0,0,0,0|3,0,1]=4 8 B8R1.4 CC1=CC(=O)NON1 MCULE-9289039883 [0,0,0,0,0,0|4,0,0]=4 9 B8R1.4 CC1=CC(=O)OCC1 MCULE-1467184061 [0,0,0,0,0,0|3,0,0]=3 10 B8R1.4 CC1=CC=CC(=O)N1 MCULE-2763977381 [0,0,0,0,0,0|2,0,2]=4 11 B8R1.4 CC1=CC=NC(=O)N1 MCULE-6541642341 [0,0,0,0,0,0|1,0,3]=4 12 B8R1.4 CC1=CCCC(=O)C1 MCULE-8078773996 [0,0,0,0,0,0|3,0,0]=3 13 B8R1.4 CC1=CCCC(=O)O1 MCULE-1590433845 [0,0,0,0,0,0|3,0,0]=3 14 B8R1.4 CC1=NC(=O)C=CN1 MCULE-5044952802 [0,0,0,0,0,0|1,0,3]=4 15 B8R1.4 CC1=NC(=O)NC=C1 MCULE-2973571138 [0,0,0,0,0,0|1,0,3]=4 16 B8R1.4 CC1CC(=O)CCN1 MCULE-3306158037 [0,0,0,0,0,0|2,0,1]=3 17 B8R1.4 CC1CC(=O)CCN1 MCULE-4556824309 [0,0,0,0,0,0|2,0,1]=3 18 B8R1.4 CC1CC(=O)CCN1 MCULE-6103506996 [0,0,0,0,0,0|2,0,1]=3 19 B8R1.4 CC1CC(=O)CCN1 MCULE-9670943852 [0,0,0,0,0,0|2,0,1]=3 20 B8R1.4 CC1CC(=O)CCO1 MCULE-3051168755 [0,0,0,0,0,0|3,0,1]=4 21 B8R1.4 CC1CCCC(=O)C1 MCULE-6473963111 [0,0,0,0,0,0|3,0,1]=4 22 B8R1.4 CC1CCCC(=O)C1 MCULE-9918051823 [0,0,0,0,0,0|3,0,1]=4 23 B8R1.4 CC1CCCC(=O)N1 MCULE-3851963076 [0,0,0,0,0,0|2,0,1]=3 24 B8R1.4 CC1CCCC(=O)O1 MCULE-4000069856 [0,0,0,0,0,0|3,0,1]=4 25 B8R1.4 CC1CCNC(=N)C1 MCULE-2615774284 [0,0,0,0,0,0|3,0,1]=4 26 B8R1.4 CC1CCNC(=N)C1 MCULE-9034088725 [0,0,0,0,0,0|3,0,1]=4 27 B8R1.4 CC1CCNC(=O)C1 MCULE-8903018599 [0,0,0,0,0,0|2,0,1]=3 28 B8R1.4 CC1CCNC(=O)N1 MCULE-6491047836 [0,0,0,0,0,0|1,0,1]=2 29 B8R1.4 CC1CCOC(=O)C1 MCULE-2682865017 [0,0,0,0,0,0|3,0,1]=4 30 B8R1.4 CC1CCOC(=O)O1 MCULE-5929311811 [0,0,0,0,0,0|3,0,1]=4 31 B8R1.4 CC1CNCC(=O)N1 MCULE-5727167900 [0,0,0,0,0,0|3,0,1]=4 32 B8R1.4 CC1CNCC(=O)N1 MCULE-9599432640 [0,0,0,0,0,0|3,0,1]=4 33 B8R1.4 CC1COCC(=O)N1 MCULE-4768427051 [0,0,0,0,0,0|3,0,1]=4 34 B8R1.4 CC1COCC(=O)N1 MCULE-5909800781 [0,0,0,0,0,0|3,0,1]=4 35 B8R1.4 CC1CS(=O)CCN1 MCULE-1283703183 [0,0,0,0,0,0|3,0,1]=4 36 B8R1.4 CN1CCCC(=O)C1 MCULE-1067967474 [0,0,0,0,0,0|4,0,0]=4 37 B8R1.4 CN1CCCC(=O)C1 MCULE-4816876030 [0,0,0,0,0,0|4,0,0]=4 38 B8R1.4 CN1CCNC(=O)C1 MCULE-5564854834 [0,0,0,0,0,0|3,0,0]=3 39 B8R1.4 CN1CCOC(=O)C1 MCULE-2224720964 [0,0,0,0,0,0|4,0,0]=4 40 B8R1.4 CN1CCOC(=O)C1 MCULE-9163078129 [0,0,0,0,0,0|4,0,0]=4 41 B8R1.4 C[C@@H]1CC(=O)CCN1 MCULE-7688577280 [0,0,0,0,0,0|2,0,1]=3 42 B8R1.4 C[C@@H]1CC(=O)CCN1 MCULE-7762440526 [0,0,0,0,0,0|2,0,1]=3 43 B8R1.4 C[C@@H]1CC(=O)CCN1 MCULE-8158589956 [0,0,0,0,0,0|2,0,1]=3 44 B8R1.4 C[C@@H]1CC(=O)CCN1 MCULE-9544551566 [0,0,0,0,0,0|2,0,1]=3 45 B8R1.4 C[C@@H]1CC(=O)CCO1 MCULE-4878813100 [0,0,0,0,0,0|3,0,1]=4 46 B8R1.4 C[C@@H]1CC(=O)CCO1 MCULE-7917159022 [0,0,0,0,0,0|3,0,1]=4 47 B8R1.4 C[C@@H]1CCCC(=O)C1 MCULE-1868776628 [0,0,0,0,0,0|3,0,1]=4 48 B8R1.4 C[C@@H]1CCCC(=O)C1 MCULE-6973928430 [0,0,0,0,0,0|3,0,1]=4 49 B8R1.4 C[C@@H]1CCCC(=O)N1 MCULE-2050655386 [0,0,0,0,0,0|2,0,1]=3 50 B8R1.4 C[C@@H]1CCCC(=O)N1 MCULE-7049359933 [0,0,0,0,0,0|2,0,1]=3 51 B8R1.4 C[C@@H]1CCCC(=O)O1 MCULE-6306078053 [0,0,0,0,0,0|3,0,1]=4 52 B8R1.4 C[C@@H]1CCCC(=O)O1 MCULE-7616070208 [0,0,0,0,0,0|3,0,1]=4 53 B8R1.4 C[C@@H]1CNCC(=O)N1 MCULE-3378865379 [0,0,0,0,0,0|3,0,1]=4 54 B8R1.4 C[C@@H]1CNCC(=O)N1 MCULE-5740698320 [0,0,0,0,0,0|3,0,1]=4 55 B8R1.4 C[C@@H]1CNCC(=O)N1 MCULE-7692987274 [0,0,0,0,0,0|3,0,1]=4 56 B8R1.4 C[C@@H]1CNCC(=O)N1 MCULE-8897582822 [0,0,0,0,0,0|3,0,1]=4 57 B8R1.4 C[C@@H]1COCC(=O)N1 MCULE-1758598852 [0,0,0,0,0,0|3,0,1]=4 58 B8R1.4 C[C@@H]1COCC(=O)N1 MCULE-2011395384 [0,0,0,0,0,0|3,0,1]=4 59 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-1599463757 [0,0,0,0,0,0|2,0,1]=3 60 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-4580048332 [0,0,0,0,0,0|2,0,1]=3 61 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-5356496154 [0,0,0,0,0,0|2,0,1]=3 62 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-5733481696 [0,0,0,0,0,0|2,0,1]=3 63 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-6641640616 [0,0,0,0,0,0|2,0,1]=3 64 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-8001129555 [0,0,0,0,0,0|2,0,1]=3 65 B8R1.4 C[C@H]1CC(=O)CCO1 MCULE-7799394182 [0,0,0,0,0,0|3,0,1]=4 66 B8R1.4 C[C@H]1CCCC(=O)C1 MCULE-4643975445 [0,0,0,0,0,0|3,0,1]=4 67 B8R1.4 C[C@H]1CCCC(=O)C1 MCULE-6122391840 [0,0,0,0,0,0|3,0,1]=4 68 B8R1.4 C[C@H]1CCNC(=O)C1 MCULE-7120988665 [0,0,0,0,0,0|2,0,1]=3 69 B8R1.4 C[C@H]1CNCC(=O)N1 MCULE-3182538973 [0,0,0,0,0,0|3,0,1]=4 70 B8R1.4 C[C@H]1CNCC(=O)N1 MCULE-3207104811 [0,0,0,0,0,0|3,0,1]=4 71 B8R1.4 C[C@H]1CNCC(=O)N1 MCULE-5895954143 [0,0,0,0,0,0|3,0,1]=4 72 B8R1.4 C[C@H]1CNCC(=O)N1 MCULE-6535652978 [0,0,0,0,0,0|3,0,1]=4 73 B8R1.4 C[C@H]1COCC(=O)N1 MCULE-5693624195 [0,0,0,0,0,0|3,0,1]=4 74 B8R1.4 C[C@H]1COCC(=O)N1 MCULE-8476323396 [0,0,0,0,0,0|3,0,1]=4 75 B8R1.4 N=C1NC(=N)SCS1 MCULE-5624881713 [0,0,0,0,0,0|4,0,0]=4 76 B8R1.4 N=C1NC(=N)SCS1 MCULE-6621214556 [0,0,0,0,0,0|4,0,0]=4 77 B8R1.4 NC1=CC(=O)CCC1 MCULE-3362548403 [0,0,0,0,0,0|3,0,0]=3 78 B8R1.4 NC1=CC(=O)COC1 MCULE-7765608843 [0,0,0,0,0,0|4,0,0]=4 79 B8R1.4 NC1=CC(=O)NN=C1 MCULE-1959597477 [0,0,0,0,0,0|3,0,1]=4 80 B8R1.4 NC1=CN=CC(=O)N1 MCULE-3785264411 [0,0,0,0,0,0|3,0,1]=4 81 B8R1.4 NC1=NC(=O)NC=C1 MCULE-4426252594 [0,0,0,0,0,0|1,0,3]=4 82 B8R1.4 NC1=NC(=O)NC=C1 MCULE-5444602171 [0,0,0,0,0,0|1,0,3]=4 83 B8R1.4 NC1=NC(=O)NN=C1 MCULE-5047415100 [0,0,0,0,0,0|2,0,2]=4 84 B8R1.4 NC1=NC=CC(=O)N1 MCULE-7474139826 [0,0,0,0,0,0|1,0,3]=4 85 B8R1.4 NC1=NC=NC(=O)N1 MCULE-2741288744 [0,0,0,0,0,0|2,0,2]=4 86 B8R1.4 NC1=NCCC(=O)N1 MCULE-1616157929 [0,0,0,0,0,0|1,0,1]=2 87 B8R1.4 NC1CCCC(=O)C1 MCULE-3659606498 [0,0,0,0,0,0|3,0,1]=4 88 B8R1.4 NC1CCCC(=O)C1 MCULE-8815445353 [0,0,0,0,0,0|3,0,1]=4 89 B8R1.4 NC1CCNC(=O)C1 MCULE-2185303732 [0,0,0,0,0,0|2,0,1]=3 90 B8R1.4 NC1CCNC(=O)C1 MCULE-4290135082 [0,0,0,0,0,0|2,0,1]=3 91 B8R1.4 NC1CCNC(=O)C1 MCULE-6525283699 [0,0,0,0,0,0|2,0,1]=3 92 B8R1.4 NC1CCNC(=O)C1 MCULE-8080194775 [0,0,0,0,0,0|2,0,1]=3 93 B8R1.4 N[C@@H]1CCCC(=O)C1 MCULE-4006583256 [0,0,0,0,0,0|3,0,1]=4 94 B8R1.4 N[C@@H]1CCNC(=O)C1 MCULE-8276559925 [0,0,0,0,0,0|2,0,1]=3 95 B8R1.4 N[C@H]1CCCC(=O)C1 MCULE-9786035316 [0,0,0,0,0,0|3,0,1]=4 96 B8R1.4 N[C@H]1CCNC(=O)C1 MCULE-1641151984 [0,0,0,0,0,0|2,0,1]=3 97 B8R1.4 N[C@H]1CCNC(=O)C1 MCULE-2042394403 [0,0,0,0,0,0|2,0,1]=3 98 B8R1.4 N[C@H]1CCNC(=O)C1 MCULE-6400271298 [0,0,0,0,0,0|2,0,1]=3 99 B8R1.4 O=C1C=C(C=CN1)F MCULE-3668200526 [0,0,0,0,0,0|2,0,2]=4 100 B8R1.4 O=C1C=C(C=CN1)I MCULE-3087331274 [0,0,0,0,0,0|2,0,2]=4 101 B8R1.4 O=C1C=C(C=NN1)Cl MCULE-3362096457 [0,0,0,0,0,0|3,0,1]=4 102 B8R1.4 O=C1C=C(C=NN1)I MCULE-4212498492 [0,0,0,0,0,0|3,0,1]=4 103 B8R1.4 O=C1C=C(CCC1)Br MCULE-3733885681 [0,0,0,0,0,0|3,0,0]=3 104 B8R1.4 O=C1C=C(CCC1)Cl MCULE-9612484193 [0,0,0,0,0,0|3,0,0]=3 105 B8R1.4 O=C1C=C(CCC1)I MCULE-4085762002 [0,0,0,0,0,0|3,0,0]=3 106 B8R1.4 O=C1C=C(CCC1)O MCULE-5615245957 [0,0,0,0,0,0|2,0,1]=3 107 B8R1.4 O=C1C=C(CCN1)Br MCULE-5356952780 [0,0,0,0,0,0|2,0,0]=2 108 B8R1.4 O=C1C=C(COC1)O MCULE-2385941614 [0,0,0,0,0,0|3,0,1]=4 109 B8R1.4 O=C1C=C(N=CC1)Cl MCULE-8901399182 [0,0,0,0,0,0|2,0,2]=4 110 B8R1.4 O=C1C=C(NC=N1)Br MCULE-2673426547 [0,0,0,0,0,0|3,0,1]=4 111 B8R1.4 O=C1C=CC=C(N1)Cl MCULE-5990074384 [0,0,0,0,0,0|2,0,2]=4 112 B8R1.4 O=C1C=CC=C(N1)I MCULE-7962501587 [0,0,0,0,0,0|2,0,2]=4 113 B8R1.4 O=C1C=CNC(=O)C1 MCULE-7422070219 [0,0,0,0,0,0|1,0,2]=3 114 B8R1.4 O=C1C=CNC(=O)O1 MCULE-3791093466 [0,0,0,0,0,0|1,0,2]=3 115 B8R1.4 O=C1C=CNC(=[Se])N1 MCULE-7954757005 [0,0,0,0,0,0|0,1,2]=3 116 B8R1.4 O=C1C=COC(=O)C1 MCULE-9289887221 [0,0,0,0,0,0|2,0,2]=4 117 B8R1.4 O=C1CC(=O)NC=N1 MCULE-1818472509 [0,0,0,0,0,0|2,0,1]=3 118 B8R1.4 O=C1CC(CCN1)F MCULE-3828280868 [0,0,0,0,0,0|2,0,1]=3 119 B8R1.4 O=C1CC(CCN1)F MCULE-8150833328 [0,0,0,0,0,0|2,0,1]=3 120 B8R1.4 O=C1CC(CCN1)O MCULE-5400068518 [0,0,0,0,0,0|1,0,2]=3 121 B8R1.4 O=C1CC(CCN1)O MCULE-8702086069 [0,0,0,0,0,0|1,0,2]=3 122 B8R1.4 O=C1CCCC(=O)C1 MCULE-7494421285 [0,0,0,0,0,0|2,0,0]=2 123 B8R1.4 O=C1CCCC(=O)N1 MCULE-7505150579 [0,0,0,0,0,0|1,0,0]=1 124 B8R1.4 O=C1CCCC(=O)O1 MCULE-4866925975 [0,0,0,0,0,0|2,0,0]=2 125 B8R1.4 O=C1CCCC(C1)O MCULE-3100717907 [0,0,0,0,0,0|2,0,2]=4 126 B8R1.4 O=C1CCC[C@@H](C1)O MCULE-3841179351 [0,0,0,0,0,0|2,0,2]=4 127 B8R1.4 O=C1CCNC(=O)C1 MCULE-7662080105 [0,0,0,0,0,0|1,0,0]=1 128 B8R1.4 O=C1CCNC(=O)N1 MCULE-8986910982 [0,0,0,0,0,0|0,0,0]=0 129 B8R1.4 O=C1CCNC(=O)O1 MCULE-8298722634 [0,0,0,0,0,0|1,0,0]=1 130 B8R1.4 O=C1CCOC(=O)C1 MCULE-3134133687 [0,0,0,0,0,0|2,0,0]=2 131 B8R1.4 O=C1CNCC(=O)C1 MCULE-9390215509 [0,0,0,0,0,0|3,0,0]=3 132 B8R1.4 O=C1CNCC(=O)C1 MCULE-9631657912 [0,0,0,0,0,0|3,0,0]=3 133 B8R1.4 O=C1CNCC(=O)N1 MCULE-2684405909 [0,0,0,0,0,0|2,0,0]=2 134 B8R1.4 O=C1CNCC(=O)N1 MCULE-8918860650 [0,0,0,0,0,0|2,0,0]=2 135 B8R1.4 O=C1COCC(=O)C1 MCULE-1763175933 [0,0,0,0,0,0|3,0,0]=3 136 B8R1.4 O=C1COCC(=O)N1 MCULE-2640203723 [0,0,0,0,0,0|2,0,0]=2 137 B8R1.4 O=C1COCC(=O)O1 MCULE-7640970930 [0,0,0,0,0,0|3,0,0]=3 138 B8R1.4 O=C1CSCC(=O)C1 MCULE-7749510849 [0,0,0,0,0,0|3,0,0]=3 139 B8R1.4 O=C1CSCC(=O)N1 MCULE-5124635458 [0,0,0,0,0,0|2,0,0]=2 140 B8R1.4 O=C1CSCC(=O)O1 MCULE-6767203470 [0,0,0,0,0,0|3,0,0]=3 141 B8R1.4 O=C1C[C@@H](CCN1)O MCULE-8279613188 [0,0,0,0,0,0|1,0,2]=3 142 B8R1.4 O=C1C[C@@H](CCN1)O MCULE-9911849866 [0,0,0,0,0,0|1,0,2]=3 143 B8R1.4 O=C1C[C@H](CCN1)O MCULE-3843806479 [0,0,0,0,0,0|1,0,2]=3 144 B8R1.4 O=C1C[C@H](CCN1)O MCULE-9127195212 [0,0,0,0,0,0|1,0,2]=3 145 B8R1.4 O=C1N=C(C=CN1)Cl MCULE-6239849546 [0,0,0,0,0,0|1,0,3]=4 146 B8R1.4 O=C1N=CCC(=S)N1 MCULE-8510009070 [0,0,0,0,0,0|0,1,2]=3 147 B8R1.4 O=C1N=CNC(=O)N1 MCULE-2256730820 [0,0,0,0,0,0|1,0,1]=2 148 B8R1.4 O=C1NC(=S)CCS1 MCULE-5745642312 [0,0,0,0,0,0|1,1,0]=2 149 B8R1.4 O=C1NCNC(=O)N1 MCULE-7478557250 [0,0,0,0,0,0|1,0,0]=1 150 B8R1.4 O=C1NN=CC(=S)N1 MCULE-8520073366 [0,0,0,0,0,0|1,1,1]=3 151 B8R1.4 O=C1[CH-]C(=O)COC1 MCULE-6235987509 [0,0,0,0,0,0|3,0,0]=3 152 B8R1.4 O=C1[CH-]C(=O)COC1 MCULE-9016019550 [0,0,0,0,0,0|3,0,0]=3 153 B8R1.4 S=C1C=NNC(=S)N1 MCULE-7897746903 [0,0,0,0,0,0|1,2,1]=4 154 B8R1.4 S=C1CCSC(=S)N1 MCULE-9772893889 [0,0,0,0,0,0|1,2,0]=3 155 B8R1.4 [C@@H]1(CCCC(=O)N1)C MCULE-8906937588 [0,0,0,0,0,0|2,0,1]=3 156 B7R1.3 C=C1CCCCN1 MCULE-8375354748 [1,0,0,0,0,0|2,0,1]=4 157 B7R1.3 C=C1CCNCC1 MCULE-4460895436 [1,0,0,0,0,0|2,0,1]=4 158 B7R1.3 C=C1CCNCC1 MCULE-6605411269 [1,0,0,0,0,0|2,0,1]=4 159 B7R1.3 C=C1CCNCC1 MCULE-6729798105 [1,0,0,0,0,0|2,0,1]=4 160 B7R1.3 CC1=CC=CCC1 MCULE-3797800778 [1,0,0,0,0,0|3,0,0]=4 161 B7R1.3 CC1=CCCC=C1 MCULE-6224653152 [1,0,0,0,0,0|3,0,0]=4 162 B7R1.3 CC1=CCNCC1 MCULE-1503915992 [1,0,0,0,0,0|2,0,1]=4 163 B7R1.3 CC1=CCNCC1 MCULE-3349815065 [1,0,0,0,0,0|2,0,1]=4 164 B7R1.3 FC1=CCNCC1 MCULE-5573410633 [1,0,0,0,0,0|2,0,1]=4 165 B7R1.3 FC1=CCNCC1 MCULE-9755070929 [1,0,0,0,0,0|2,0,1]=4 166 B7R1.3 N=C1NCCCO1 MCULE-4713912893 [1,0,0,0,0,0|2,0,1]=4 167 B7R1.3 N=C1NCCCS1 MCULE-5425383221 [1,0,0,0,0,0|2,0,1]=4 168 B7R1.3 NC1=NCCCN1 MCULE-1407334516 [1,0,0,0,0,0|1,0,2]=4 169 B7R1.3 NC1=NCCCN1 MCULE-1674112662 [1,0,0,0,0,0|1,0,2]=4 170 B7R1.3 O=C1C=CCCC1 MCULE-5207755083 [1,0,0,0,0,0|2,0,0]=3 171 B7R1.3 O=C1C=CCCN1 MCULE-9815380990 [1,0,0,0,0,0|1,0,0]=2 172 B7R1.3 O=C1C=CCCO1 MCULE-2962791770 [1,0,0,0,0,0|2,0,0]=3 173 B7R1.3 O=C1C=CCOC1 MCULE-4817981961 [1,0,0,0,0,0|3,0,0]=4 174 B7R1.3 O=C1C=COCC1 MCULE-2954829305 [1,0,0,0,0,0|2,0,0]=3 175 B7R1.3 O=C1C=COCN1 MCULE-7471476237 [1,0,0,0,0,0|2,0,0]=3 176 B7R1.3 O=C1C=NC=CN1 MCULE-1637832118 [1,0,0,0,0,0|2,0,1]=4 177 B7R1.3 O=C1CC=CCN1 MCULE-7370958955 [1,0,0,0,0,0|1,0,1]=3 178 B7R1.3 O=C1CC=COC1 MCULE-3434064170 [1,0,0,0,0,0|3,0,0]=4 179 B7R1.3 O=C1CCCCC1 MCULE-5664385838 [1,0,0,0,0,0|2,0,1]=4 180 B7R1.3 O=C1CCCCN1 MCULE-9168245534 [1,0,0,0,0,0|1,0,1]=3 181 B7R1.3 O=C1CCCCO1 MCULE-4682307363 [1,0,0,0,0,0|2,0,1]=4 182 B7R1.3 O=C1CCCCS1 MCULE-5383777119 [1,0,0,0,0,0|2,0,1]=4 183 B7R1.3 O=C1CCCNC1 MCULE-2774326662 [1,0,0,0,0,0|3,0,0]=4 184 B7R1.3 O=C1CCCNC1 MCULE-8149766009 [1,0,0,0,0,0|3,0,0]=4 185 B7R1.3 O=C1CCCOC1 MCULE-5268404224 [1,0,0,0,0,0|3,0,0]=4 186 B7R1.3 O=C1CCCSC1 MCULE-1649390503 [1,0,0,0,0,0|3,0,0]=4 187 B7R1.3 O=C1CCNCC1 MCULE-7526186270 [1,0,0,0,0,0|1,0,1]=3 188 B7R1.3 O=C1CCNCC1 MCULE-9761063200 [1,0,0,0,0,0|1,0,1]=3 189 B7R1.3 O=C1CCNCN1 MCULE-5793765281 [1,0,0,0,0,0|0,0,1]=2 190 B7R1.3 O=C1CCOCC1 MCULE-6728095514 [1,0,0,0,0,0|2,0,1]=4 191 B7R1.3 O=C1CCSCC1 MCULE-8638366518 [1,0,0,0,0,0|2,0,1]=4 192 B7R1.3 O=C1CNCCN1 MCULE-5599978871 [1,0,0,0,0,0|2,0,0]=3 193 B7R1.3 O=C1CNCCO1 MCULE-2634056082 [1,0,0,0,0,0|3,0,0]=4 194 B7R1.3 O=C1CNCCO1 MCULE-6420255529 [1,0,0,0,0,0|3,0,0]=4 195 B7R1.3 O=C1COCCN1 MCULE-8242898041 [1,0,0,0,0,0|2,0,0]=3 196 B7R1.3 O=C1COCCO1 MCULE-5754504096 [1,0,0,0,0,0|3,0,0]=4 197 B7R1.3 O=C1CSC=CN1 MCULE-7195428643 [1,0,0,0,0,0|2,0,0]=3 198 B7R1.3 O=C1CSCCN1 MCULE-1492056440 [1,0,0,0,0,0|2,0,0]=3 199 B7R1.3 O=C1N=CC=CN1 MCULE-7966583838 [1,0,0,0,0,0|0,0,3]=4 200 B7R1.3 O=C1NCCCN1 MCULE-4876148406 [1,0,0,0,0,0|0,0,1]=2 201 B7R1.3 O=C1NCCCO1 MCULE-9333383492 [1,0,0,0,0,0|1,0,1]=3 202 B7R1.3 O=C1NNCCO1 MCULE-2913818828 [1,0,0,0,0,0|2,0,0]=3 203 B7R1.3 O=C1OCCCO1 MCULE-7728322911 [1,0,0,0,0,0|2,0,1]=4 204 B7R1.3 O=S1CCNCC1 MCULE-1812570930 [1,0,0,0,0,0|2,0,1]=4 205 B7R1.3 O=S1CCNCC1 MCULE-9878649050 [1,0,0,0,0,0|2,0,1]=4 206 B7R1.3 S=C1CCCCN1 MCULE-2004608075 [1,0,0,0,0,0|1,1,1]=4 207 B7R1.3 S=C1COCCN1 MCULE-1743172522 [1,0,0,0,0,0|2,1,0]=4 208 B7R1.3 S=C1NCCCN1 MCULE-6601711997 [1,0,0,0,0,0|0,1,1]=3 209 B7R1.3 S=C1NCCCO1 MCULE-2364674450 [1,0,0,0,0,0|1,1,1]=4 210 B7R1.3 S=C1NCCCS1 MCULE-8898215455 [1,0,0,0,0,0|1,1,1]=4 211 B7R1.3 S=C1NCNCN1 MCULE-8557857293 [1,0,0,0,0,0|1,1,1]=4 212 B9R1.2 C#CC1=CC(=O)CCC1 MCULE-4235041240 [0,1,0,0,0,0|3,0,0]=4 213 B9R1.2 CCC1=CC(=O)CCC1 MCULE-3934640256 [0,1,0,0,0,0|3,0,0]=4 214 B9R1.2 CCC1CC(=O)CCN1 MCULE-1220676585 [0,1,0,0,0,0|2,0,1]=4 215 B9R1.2 CCC1CC(=O)CCN1 MCULE-3141090997 [0,1,0,0,0,0|2,0,1]=4 216 B9R1.2 CCC1CCCC(=O)N1 MCULE-7034650517 [0,1,0,0,0,0|2,0,1]=4 217 B9R1.2 CCC1CCNC(=O)C1 MCULE-7827721769 [0,1,0,0,0,0|2,0,1]=4 218 B9R1.2 CCN1CCNC(=O)C1 MCULE-1191268798 [0,1,0,0,0,0|3,0,0]=4 219 B9R1.2 CCN1CCNC(=O)C1 MCULE-5823830618 [0,1,0,0,0,0|3,0,0]=4 220 B9R1.2 CC[C@@H]1CC(=O)CCN1 MCULE-6816021578 [0,1,0,0,0,0|2,0,1]=4 221 B9R1.2 CC[C@@H]1CC(=O)CCN1 MCULE-7481609929 [0,1,0,0,0,0|2,0,1]=4 222 B9R1.2 CC[C@H]1CC(=O)CCN1 MCULE-1797323490 [0,1,0,0,0,0|2,0,1]=4 223 B9R1.2 CC[C@H]1CC(=O)CCN1 MCULE-7692205564 [0,1,0,0,0,0|2,0,1]=4 224 B9R1.2 COC1=CC(=O)CCC1 MCULE-7315684808 [0,1,0,0,0,0|2,0,1]=4 225 B9R1.2 COC1CCCC(=O)N1 MCULE-3771491986 [0,1,0,0,0,0|1,0,2]=4 226 B9R1.2 CSC1=NC(=O)CCN1 MCULE-9697046626 [0,1,0,0,0,0|0,1,1]=3 227 B9R1.2 N#CC1CCNC(=O)C1 MCULE-8868530643 [0,1,0,0,0,0|2,0,1]=4 228 B9R1.2 N#CC1CCNC(=S)N1 MCULE-6149808768 [0,1,0,0,0,0|1,1,1]=4 229 B9R1.2 NCC1CCCC(=O)N1 MCULE-2515108436 [0,1,0,0,0,0|2,0,1]=4 230 B9R1.2 NCC1CCCC(=O)N1 MCULE-2893640240 [0,1,0,0,0,0|2,0,1]=4 231 B9R1.2 NCC1CCCC(=O)N1 MCULE-4568961930 [0,1,0,0,0,0|2,0,1]=4 232 B9R1.2 NCC1CCNC(=O)C1 MCULE-8340928139 [0,1,0,0,0,0|2,0,1]=4 233 B9R1.2 NCC1CCNC(=O)C1 MCULE-9503049309 [0,1,0,0,0,0|2,0,1]=4 234 B9R1.2 NCC1CCNC(=O)N1 MCULE-7299072097 [0,1,0,0,0,0|1,0,1]=3 235 B9R1.2 NCC1CCNC(=O)O1 MCULE-4253031438 [0,1,0,0,0,0|2,0,1]=4 236 B9R1.2 NC[C@H]1CCNC(=O)C1 MCULE-6439919372 [0,1,0,0,0,0|2,0,1]=4 237 B9R1.2 NC[C@H]1CCNC(=O)C1 MCULE-8074777058 [0,1,0,0,0,0|2,0,1]=4 238 B9R1.2 O=C1C=C(CCO1)CO MCULE-1101464960 [0,1,0,0,0,0|2,0,1]=4 239 B9R1.2 O=C1CC(=NO)CCN1 MCULE-6345454324 [0,1,0,0,0,0|1,0,1]=3 240 B9R1.2 O=C1CC(CCN1)CBr MCULE-5514747029 [0,1,0,0,0,0|2,0,1]=4 241 B9R1.2 O=C1CC(CCN1)CO MCULE-9526076179 [0,1,0,0,0,0|1,0,2]=4 242 B9R1.2 O=C1CCCC(N1)CO MCULE-6546170250 [0,1,0,0,0,0|1,0,2]=4 243 B9R1.2 O=C1CCC[C@@H](N1)CO MCULE-6845836782 [0,1,0,0,0,0|1,0,2]=4 244 B9R1.2 O=C1CCC[C@H](N1)CO MCULE-2745722091 [0,1,0,0,0,0|1,0,2]=4 245 B9R1.2 O=C1CCC[C@H](N1)CO MCULE-3358051383 [0,1,0,0,0,0|1,0,2]=4 246 B9R1.2 O=C1C[C@H](CCN1)CO MCULE-5682710079 [0,1,0,0,0,0|1,0,2]=4 247 B9R1.2 O=CC1=CC(=O)NC=C1 MCULE-5001480578 [0,1,0,0,0,0|1,0,2]=4 248 B9R1.2 O=CC1=CC=CC(=O)N1 MCULE-3898981854 [0,1,0,0,0,0|1,0,2]=4 249 B9R1.3 CC1=C(C(=O)CCC1)C MCULE-2092030294 [0,1,0,0,0,0|3,0,0]=4 250 B9R1.3 CC1=C(C(=O)CCC1)I MCULE-1524025435 [0,1,0,0,0,0|3,0,0]=4 251 B9R1.3 CC1=C(C(=O)CCO1)O MCULE-4821746307 [0,1,0,0,0,0|3,0,0]=4 252 B9R1.3 CC1=C(CCCC1=O)O MCULE-2811033912 [0,1,0,0,0,0|2,0,1]=4 253 B9R1.3 CC1C(=O)CCCC1=O MCULE-6372223277 [0,1,0,0,0,0|2,0,0]=3 254 B9R1.3 CC1C(=O)NCCN1C MCULE-4438877653 [0,1,0,0,0,0|3,0,0]=4 255 B9R1.3 CC1C(=O)NCCN1C MCULE-5252043587 [0,1,0,0,0,0|3,0,0]=4 256 B9R1.3 CC1CCNC(=O)C1N MCULE-8466322754 [0,1,0,0,0,0|2,0,1]=4 257 B9R1.3 CN1C(=O)C=CNC1=O MCULE-5392412214 [0,1,0,0,0,0|0,0,2]=3 258 B9R1.3 CN1C(=O)C=CNC1=S MCULE-1210464407 [0,1,0,0,0,0|0,1,2]=4 259 B9R1.3 CN1C(=O)C=NNC1=O MCULE-6864350387 [0,1,0,0,0,0|1,0,1]=3 260 B9R1.3 CN1C(=O)CCCC1=O MCULE-4787684091 [0,1,0,0,0,0|1,0,0]=2 261 B9R1.3 CN1C(=O)CNCC1=O MCULE-1069132233 [0,1,0,0,0,0|2,0,0]=3 262 B9R1.3 CN1C(=O)CNCC1=O MCULE-4060585109 [0,1,0,0,0,0|2,0,0]=3 263 B9R1.3 CN1C(=O)CNCC1=O MCULE-8726062423 [0,1,0,0,0,0|2,0,0]=3 264 B9R1.3 CN1CCNC(=O)C1=O MCULE-8196761481 [0,1,0,0,0,0|3,0,0]=4 265 B9R1.3 NN1C(=O)C=NNC1=O MCULE-5939036900 [0,1,0,0,0,0|1,0,1]=3 266 B9R1.3 NN1C(=O)C=NNC1=S MCULE-2713167949 [0,1,0,0,0,0|1,1,1]=4 267 B9R1.3 O=C1CCCC(=C1Br)O MCULE-8690607372 [0,1,0,0,0,0|2,0,1]=4 268 B9R1.3 O=C1CCCC(=C1Cl)O MCULE-2266106107 [0,1,0,0,0,0|2,0,1]=4 269 B9R1.3 O=C1CCCC(=C1F)O MCULE-5456728328 [0,1,0,0,0,0|2,0,1]=4 270 B9R1.3 O=C1CCCC(=C1I)O MCULE-5138602231 [0,1,0,0,0,0|2,0,1]=4 271 B9R1.3 O=C1CCCC(=O)C1Br MCULE-7816833236 [0,1,0,0,0,0|2,0,0]=3 272 B9R1.3 O=C1CCCC(=O)C1Cl MCULE-7334645492 [0,1,0,0,0,0|2,0,0]=3 273 B9R1.3 O=C1CCCC(=O)N1Br MCULE-4460128380 [0,1,0,0,0,0|1,0,0]=2 274 B9R1.3 O=C1N=CNC(=O)C1Br MCULE-4388547885 [0,1,0,0,0,0|2,0,1]=4 275 B9R1.3 O=C1NCCC(C1Cl)O MCULE-3547246755 [0,1,0,0,0,0|1,0,2]=4 276 B9R1.3 O=C1NCC[C@H]([C@@H]1Cl)O MCULE-4122559640 [0,1,0,0,0,0|1,0,2]=4 277 B9R1.34 CC1=CC(=O)CC(C1)C MCULE-4391727742 [0,1,0,0,0,0|3,0,0]=4 278 B9R1.34 CC1=CC(=O)NC(=S)N1 MCULE-5250952546 [0,1,0,0,0,0|0,1,2]=4 279 B9R1.34 CC1=CC(=O)OC(=O)N1 MCULE-4319728701 [0,1,0,0,0,0|1,0,2]=4 280 B9R1.34 CC1=CC(CC(=O)C1)C MCULE-3058901389 [0,1,0,0,0,0|3,0,0]=4 281 B9R1.34 CC1=CC(CC(=O)O1)O MCULE-2892113646 [0,1,0,0,0,0|3,0,0]=4 282 B9R1.34 CC1CC(=CC(=O)O1)O MCULE-3566980219 [0,1,0,0,0,0|2,0,1]=4 283 B9R1.34 CC1CC(=O)C=C(C1)N MCULE-4451452781 [0,1,0,0,0,0|3,0,0]=4 284 B9R1.34 CC1CC(=O)CC(=O)C1 MCULE-9077952779 [0,1,0,0,0,0|2,0,0]=3 285 B9R1.34 CC1CC(=O)CC(=O)N1 MCULE-4178844211 [0,1,0,0,0,0|1,0,0]=2 286 B9R1.34 CC1CC(=O)CC(=O)O1 MCULE-8800349509 [0,1,0,0,0,0|2,0,0]=3 287 B9R1.34 CC1CC(=O)CC(N1)C MCULE-6804146726 [0,1,0,0,0,0|2,0,1]=4 288 B9R1.34 CC1CC(=O)CC(N1)C MCULE-6840092000 [0,1,0,0,0,0|2,0,1]=4 289 B9R1.34 CC1CC(=O)NC(=O)N1 MCULE-2066103800 [0,1,0,0,0,0|0,0,0]=1 290 B9R1.34 CC1CC(=O)NC(=S)N1 MCULE-3560554851 [0,1,0,0,0,0|0,1,0]=2 291 B9R1.34 CC1CC(=O)OC(=O)C1 MCULE-7493778576 [0,1,0,0,0,0|2,0,0]=3 292 B9R1.34 CN1CC(=O)NC(=O)C1 MCULE-9312522895 [0,1,0,0,0,0|2,0,0]=3 293 B9R1.34 CN1CC(=O)OC(=O)C1 MCULE-5682675378 [0,1,0,0,0,0|3,0,0]=4 294 B9R1.34 C[C@@H]1CC(=O)C[C@H](N1)C MCULE-8209155173 [0,1,0,0,0,0|2,0,1]=4 295 B9R1.34 C[C@@H]1CC(=O)C[C@H](N1)C MCULE-9446746465 [0,1,0,0,0,0|2,0,1]=4 296 B9R1.34 C[C@H]1CC(=O)CC(=O)N1 MCULE-6238430821 [0,1,0,0,0,0|1,0,0]=2 297 B9R1.34 C[C@H]1CC(=O)C[C@@H](N1)C MCULE-2788235613 [0,1,0,0,0,0|2,0,1]=4 298 B9R1.34 C[C@H]1CC(=O)C[C@@H](N1)C MCULE-5366721571 [0,1,0,0,0,0|2,0,1]=4 299 B9R1.34 C[C@H]1CC(=O)C[C@H](N1)C MCULE-5181389040 [0,1,0,0,0,0|2,0,1]=4 300 B9R1.34 C[C@H]1CC(=O)C[C@H](N1)C MCULE-6787698072 [0,1,0,0,0,0|2,0,1]=4 301 B9R1.34 NC1=NC(=O)CC(=O)N1 MCULE-4304162919 [0,1,0,0,0,0|1,0,2]=4 302 B9R1.34 NC1CC(=O)NC(=O)C1 MCULE-6382091482 [0,1,0,0,0,0|1,0,0]=2 303 B9R1.34 NC1CC(=O)NC(=O)C1 MCULE-9933185634 [0,1,0,0,0,0|1,0,0]=2 304 B9R1.34 O=C1C=C(NC(=O)N1)Br MCULE-3840650924 [0,1,0,0,0,0|0,0,2]=3 305 B9R1.34 O=C1C=C(NC(=O)N1)Cl MCULE-2281590199 [0,1,0,0,0,0|0,0,2]=3 306 B9R1.34 O=C1C=C(NC(=O)N1)F MCULE-4457115383 [0,1,0,0,0,0|0,0,2]=3 307 B9R1.34 O=C1C=C(NC(=O)N1)I MCULE-4986004483 [0,1,0,0,0,0|0,0,2]=3 308 B9R1.34 O=C1CC(=NC(=O)N1)[O-] MCULE-5852182390 [0,1,0,0,0,0|0,0,2]=3 309 B9R1.34 O=C1CC(=O)NC(=O)N1 MCULE-3947237773 [0,1,0,0,0,0|0,0,1]=2 310 B9R1.34 O=C1CC(=O)NC(=S)N1 MCULE-6314984434 [0,1,0,0,0,0|0,1,1]=3 311 B9R1.34 O=C1CC(=O)OC(=O)C1 MCULE-9015105238 [0,1,0,0,0,0|2,0,1]=4 312 B9R1.34 O=C1N=C(NC(=O)N1)Cl MCULE-5015398867 [0,1,0,0,0,0|1,0,1]=3 313 B9R1.66 CC1(CC(=O)CCN1)C MCULE-7066435466 [0,1,0,0,0,0|2,0,1]=4 314 B9R1.66 CC1(CC(=O)CCN1)C MCULE-7610772996 [0,1,0,0,0,0|2,0,1]=4 315 B9R1.66 CC1(CCCC(=O)N1)C MCULE-9506005736 [0,1,0,0,0,0|2,0,1]=4 316 B9R1.66 CC1(CCNC(=O)C1)C MCULE-5703517542 [0,1,0,0,0,0|2,0,1]=4 317 B9R1.66 O=C1CC(CCN1)(F)F MCULE-3058421094 [0,1,0,0,0,0|2,0,1]=4 318 B9R1.66 O=C1CC(CCN1)(F)F MCULE-7491921693 [0,1,0,0,0,0|2,0,1]=4 319 B9R1.66 O=C1CCCS(=O)(=O)C1 MCULE-5523551731 [0,1,0,0,0,0|3,0,0]=4 320 B9R1.66 O=C1CCCS(=O)(=O)N1 MCULE-4670322076 [0,1,0,0,0,0|2,0,0]=3 321 B9R1.66 O=C1CS(=O)(=O)CCN1 MCULE-7263537050 [0,1,0,0,0,0|2,0,0]=3 322 B9R1.69 C=C1CCC(=O)NC1=O MCULE-9917847735 [0,1,0,0,0,0|1,0,0]=2 323 B9R1.69 CC1=CNC(=O)NC1=O MCULE-6356243926 [0,1,0,0,0,0|0,0,2]=3 324 B9R1.69 CC1=CNC(=O)NC1=S MCULE-2390616666 [0,1,0,0,0,0|0,1,2]=4 325 B9R1.69 CC1=CNC(=S)NC1=O MCULE-7685911178 [0,1,0,0,0,0|0,1,2]=4 326 B9R1.69 CC1=NNC(=O)NC1=O MCULE-1502977032 [0,1,0,0,0,0|1,0,1]=3 327 B9R1.69 CC1=NNC(=O)NC1=O MCULE-1807973782 [0,1,0,0,0,0|1,0,1]=3 328 B9R1.69 CC1=NNC(=O)NC1=S MCULE-2580193457 [0,1,0,0,0,0|1,1,1]=4 329 B9R1.69 CC1CC(=O)C(CN1)C MCULE-5034091059 [0,1,0,0,0,0|2,0,1]=4 330 B9R1.69 CC1CC(=O)C(CN1)C MCULE-7684286370 [0,1,0,0,0,0|2,0,1]=4 331 B9R1.69 CC1CC(=O)CCN1C MCULE-7342530598 [0,1,0,0,0,0|2,0,1]=4 332 B9R1.69 CC1CCC(=O)C=C1O MCULE-7850328397 [0,1,0,0,0,0|2,0,1]=4 333 B9R1.69 CC1CCC(=O)CC1=O MCULE-6498795822 [0,1,0,0,0,0|2,0,0]=3 334 B9R1.69 CC1CCC(=O)NC1=O MCULE-4999120435 [0,1,0,0,0,0|1,0,0]=2 335 B9R1.69 CC1CCC(C(=O)N1)N MCULE-4681937866 [0,1,0,0,0,0|2,0,1]=4 336 B9R1.69 CC1CNC(=NC1=O)O MCULE-1498737305 [0,1,0,0,0,0|0,0,2]=3 337 B9R1.69 CC1CNC(=O)CC1=O MCULE-2909713030 [0,1,0,0,0,0|1,0,0]=2 338 B9R1.69 CC1NC(=O)CCC1N MCULE-2884344617 [0,1,0,0,0,0|2,0,1]=4 339 B9R1.69 CC1NC(=O)CCC1O MCULE-3879531993 [0,1,0,0,0,0|2,0,1]=4 340 B9R1.69 CC1NNC(=O)NC1=O MCULE-2982898824 [0,1,0,0,0,0|1,0,0]=2 341 B9R1.69 CC1NNC(=S)NC1=O MCULE-1126162722 [0,1,0,0,0,0|1,1,0]=3 342 B9R1.69 CC1SCC(=O)CC1=O MCULE-3166347796 [0,1,0,0,0,0|3,0,0]=4 343 B9R1.69 CC1SCC(=O)OC1=O MCULE-4179176992 [0,1,0,0,0,0|3,0,0]=4 344 B9R1.69 CN1C=CC(=O)NC1=O MCULE-4954410074 [0,1,0,0,0,0|0,0,2]=3 345 B9R1.69 CN1C=CC(=O)NC1=S MCULE-6286998648 [0,1,0,0,0,0|0,1,2]=4 346 B9R1.69 CN1CCC(=NC1=O)N MCULE-4517300685 [0,1,0,0,0,0|1,0,1]=3 347 B9R1.69 CN1CCC(=O)CC1=O MCULE-7583281341 [0,1,0,0,0,0|1,0,0]=2 348 B9R1.69 CN1CCC(=O)NC1=O MCULE-1338210074 [0,1,0,0,0,0|0,0,0]=1 349 B9R1.69 CN1CCC(CC1=O)N MCULE-1615743106 [0,1,0,0,0,0|2,0,1]=4 350 B9R1.69 CN1CCC(CC1=O)N MCULE-3669689846 [0,1,0,0,0,0|2,0,1]=4 351 B9R1.69 CN1CCC(CC1=O)N MCULE-9029127990 [0,1,0,0,0,0|2,0,1]=4 352 B9R1.69 CN1CC[C@@H](CC1=O)N MCULE-2173200677 [0,1,0,0,0,0|2,0,1]=4 353 B9R1.69 CN1CC[C@@H](CC1=O)N MCULE-2636791104 [0,1,0,0,0,0|2,0,1]=4 354 B9R1.69 CN1CC[C@@H](CC1=O)N MCULE-5158680305 [0,1,0,0,0,0|2,0,1]=4 355 B9R1.69 CN1CC[C@H](CC1=O)N MCULE-1652984259 [0,1,0,0,0,0|2,0,1]=4 356 B9R1.69 NC1=CNC(=O)NC1=O MCULE-8766220931 [0,1,0,0,0,0|0,0,2]=3 357 B9R1.69 NC1=NC(=O)NCC1=O MCULE-2660856699 [0,1,0,0,0,0|1,0,2]=4 358 B9R1.69 NC1=NNC(=O)NC1=O MCULE-3067333649 [0,1,0,0,0,0|1,0,1]=3 359 B9R1.69 NC1C=NC(=O)NC1=O MCULE-1490641488 [0,1,0,0,0,0|0,0,2]=3 360 B9R1.69 NC1CCC(=O)NC1=O MCULE-4373046338 [0,1,0,0,0,0|1,0,0]=2 361 B9R1.69 NC1CCC(=O)NC1=O MCULE-5761090335 [0,1,0,0,0,0|1,0,0]=2 362 B9R1.69 NC1CCC(=O)NC1=O MCULE-6512527532 [0,1,0,0,0,0|1,0,0]=2 363 B9R1.69 NN1C=CC(=O)NC1=O MCULE-6452806318 [0,1,0,0,0,0|0,0,2]=3 364 B9R1.69 N[C@@H]1CCC(=O)NC1=O MCULE-2259559652 [0,1,0,0,0,0|1,0,0]=2 365 B9R1.69 N[C@@H]1CCC(=O)NC1=O MCULE-5099911990 [0,1,0,0,0,0|1,0,0]=2 366 B9R1.69 N[C@@H]1CCC(=O)NC1=O MCULE-5834100164 [0,1,0,0,0,0|1,0,0]=2 367 B9R1.69 N[C@@H]1CCC(=O)NC1=O MCULE-9198243816 [0,1,0,0,0,0|1,0,0]=2 368 B9R1.69 N[C@H]1CCC(=O)NC1=O MCULE-2839925566 [0,1,0,0,0,0|1,0,0]=2 369 B9R1.69 N[C@H]1CCC(=O)NC1=O MCULE-4993857257 [0,1,0,0,0,0|1,0,0]=2 370 B9R1.69 N[C@H]1CCC(=O)NC1=O MCULE-5773933419 [0,1,0,0,0,0|1,0,0]=2 371 B9R1.69 N[C@H]1CCC(=O)NC1=O MCULE-7730306323 [0,1,0,0,0,0|1,0,0]=2 372 B9R1.69 O=C1CCC(C(=O)N1)Br MCULE-2957692520 [0,1,0,0,0,0|1,0,0]=2 373 B9R1.69 O=C1CCC(C(=O)O1)Br MCULE-6965029544 [0,1,0,0,0,0|2,0,0]=3 374 B9R1.69 O=C1NC(=S)N=CC1F MCULE-3256673014 [0,1,0,0,0,0|0,1,2]=4 375 B9R1.69 O=C1NC(=S)NC=C1F MCULE-1640996146 [0,1,0,0,0,0|0,1,2]=4 376 B9R1.69 O=C1NC(=S)NC=C1I MCULE-9040932930 [0,1,0,0,0,0|0,1,2]=4 377 B9R1.69 O=C1NC=C(C(=O)N1)Br MCULE-6639028202 [0,1,0,0,0,0|0,0,2]=3 378 B9R1.69 O=C1NC=C(C(=O)N1)Cl MCULE-3005578323 [0,1,0,0,0,0|0,0,2]=3 379 B9R1.69 O=C1NC=C(C(=O)N1)F MCULE-6338086431 [0,1,0,0,0,0|0,0,2]=3 380 B9R1.69 O=C1NC=C(C(=O)N1)I MCULE-9099154084 [0,1,0,0,0,0|0,0,2]=3 381 B9R1.69 O=C1NC=C(C(=S)N1)F MCULE-5051283182 [0,1,0,0,0,0|0,1,2]=4 382 B9R1.69 O=C1NCC(=O)C(=O)N1 MCULE-3608761998 [0,1,0,0,0,0|0,0,1]=2 383 B9R1.69 O=C1NCC(C(=O)N1)Br MCULE-1399084699 [0,1,0,0,0,0|0,0,0]=1 384 B9R1.69 O=C1NCC(C(=O)N1)Cl MCULE-3522626760 [0,1,0,0,0,0|0,0,0]=1 385 B9R1.69 O=C1NCC(C(=O)N1)F MCULE-3119054190 [0,1,0,0,0,0|0,0,0]=1 386 B9R1.69 O=C1NN=C(C(=O)N1)Br MCULE-9793204387 [0,1,0,0,0,0|1,0,1]=3 387 B9R1.69 O=C1NN=C(C(=O)N1)F MCULE-5496474813 [0,1,0,0,0,0|1,0,1]=3 388 B9R1.69 O=C1NN=C(C(=S)N1)Br MCULE-1298950946 [0,1,0,0,0,0|1,1,1]=4 389 B9R1.69 [NH3+]C1CCC(=O)NC1=O MCULE-8832573768 [0,1,0,0,0,0|1,0,0]=2 390 B7R0.2 C=CC(=O)NC(=O)N MCULE-8826369233 [0,0,1,0,0,0|0,0,2]=3 391 B7R0.2 CC(=O)NC(=O)CBr MCULE-3222708274 [0,0,1,0,0,0|2,0,0]=3 392 B7R0.2 CCC(=CC(=O)O)C MCULE-3864767099 [0,0,1,0,0,0|3,0,0]=4 393 B7R0.2 CCC(=O)CC(=O)C MCULE-1892470405 [0,0,1,0,0,0|2,0,0]=3 394 B7R0.2 CCC(=O)CC(=O)O MCULE-1083768149 [0,0,1,0,0,0|2,0,0]=3 395 B7R0.2 CCC(=O)NC(=S)N MCULE-7487842736 [0,0,1,0,0,0|0,1,0]=2 396 B7R0.2 CCC(=O)NC(C)C MCULE-3565002235 [0,0,1,0,0,0|2,0,1]=4 397 B7R0.2 CCC(=O)OC(=O)C MCULE-8264492254 [0,0,1,0,0,0|2,0,0]=3 398 B7R0.2 CCC(C)NC(=O)N MCULE-6186330882 [0,0,1,0,0,0|1,0,1]=3 399 B7R0.2 CCC(C)NC(=S)N MCULE-8856391382 [0,0,1,0,0,0|1,1,1]=4 400 B7R0.2 CCS(=O)CC(=O)O MCULE-5648298475 [0,0,1,0,0,0|3,0,0]=4 401 B7R0.2 CNC(=CC(=O)C)C MCULE-1943688292 [0,0,1,0,0,0|2,0,0]=3 402 B7R0.2 CNC(=N)NC(=N)N MCULE-4251668857 [0,0,1,0,0,0|3,0,0]=4 403 B7R0.2 CNC(=N)NC(=N)N MCULE-5148103019 [0,0,1,0,0,0|3,0,0]=4 404 B7R0.2 CNC(=N)NN(=O)=O MCULE-4979164671 [0,0,1,0,0,0|3,0,0]=4 405 B7R0.2 CNC(=O)CC(=N)N MCULE-4798896062 [0,0,1,0,0,0|3,0,0]=4 406 B7R0.2 CNC(=O)CC(=N)N MCULE-6994336455 [0,0,1,0,0,0|3,0,0]=4 407 B7R0.2 CNC(=O)CC(=O)C MCULE-4316009681 [0,0,1,0,0,0|1,0,0]=2 408 B7R0.2 CNC(=O)CC(=O)O MCULE-3506871336 [0,0,1,0,0,0|2,0,0]=3 409 B7R0.2 CNC(=O)CC(=S)N MCULE-1637389152 [0,0,1,0,0,0|2,1,0]=4 410 B7R0.2 CNC(=O)CC(C)C MCULE-2303112628 [0,0,1,0,0,0|2,0,1]=4 411 B7R0.2 CNC(=O)CC(C)N MCULE-7773306348 [0,0,1,0,0,0|2,0,1]=4 412 B7R0.2 CNC(=O)CC(C)N MCULE-8658175271 [0,0,1,0,0,0|2,0,1]=4 413 B7R0.2 CNC(=O)CN(=O)=O MCULE-2253664059 [0,0,1,0,0,0|3,0,0]=4 414 B7R0.2 CNC(=O)NC(=O)C MCULE-9100713966 [0,0,1,0,0,0|0,0,0]=1 415 B7R0.2 CNC(=O)NC(=O)N MCULE-8107942434 [0,0,1,0,0,0|1,0,0]=2 416 B7R0.2 COC(=CC(=O)C)C MCULE-1939113485 [0,0,1,0,0,0|3,0,0]=4 417 B7R0.2 COC(=O)/C=C(/C)\N MCULE-2378404457 [0,0,1,0,0,0|3,0,0]=4 418 B7R0.2 COC(=O)/C=C(\C)/N MCULE-7223502425 [0,0,1,0,0,0|3,0,0]=4 419 B7R0.2 COC(=O)C=C(C)C MCULE-9357284649 [0,0,1,0,0,0|3,0,0]=4 420 B7R0.2 COC(=O)C=C(C)N MCULE-8452012306 [0,0,1,0,0,0|3,0,0]=4 421 B7R0.2 COC(=O)C=C(C)[O-] MCULE-2706789496 [0,0,1,0,0,0|2,0,1]=4 422 B7R0.2 COC(=O)C=C(C)[O-] MCULE-4482386969 [0,0,1,0,0,0|2,0,1]=4 423 B7R0.2 COC(=O)CC(=N)N MCULE-3622266378 [0,0,1,0,0,0|3,0,0]=4 424 B7R0.2 COC(=O)CC(=N)N MCULE-8717458518 [0,0,1,0,0,0|3,0,0]=4 425 B7R0.2 COC(=O)CC(=O)C MCULE-1265364784 [0,0,1,0,0,0|2,0,0]=3 426 B7R0.2 COC(=O)CC(=O)Cl MCULE-5016603273 [0,0,1,0,0,0|3,0,0]=4 427 B7R0.2 COC(=O)CC(=O)N MCULE-7129379910 [0,0,1,0,0,0|2,0,0]=3 428 B7R0.2 COC(=O)CC(=O)O MCULE-7983457925 [0,0,1,0,0,0|3,0,0]=4 429 B7R0.2 COC(=O)CC(=O)[O-] MCULE-4316322156 [0,0,1,0,0,0|3,0,0]=4 430 B7R0.2 COC(=O)CC(=S)N MCULE-3325362226 [0,0,1,0,0,0|2,1,0]=4 431 B7R0.2 COC(=O)CS(=O)C MCULE-6286293391 [0,0,1,0,0,0|3,0,0]=4 432 B7R0.2 COC(=O)NC(C)C MCULE-4552685948 [0,0,1,0,0,0|2,0,1]=4 433 B7R0.2 N=C(N)NC(=O)CO MCULE-1435627041 [0,0,1,0,0,0|2,0,0]=3 434 B7R0.2 NC(=O)NC(=O)CBr MCULE-4561848957 [0,0,1,0,0,0|1,0,0]=2 435 B7R0.2 NC(=O)NC(=O)CCl MCULE-6047100495 [0,0,1,0,0,0|1,0,0]=2 436 B7R0.2 O=C(Br)CC(=O)CBr MCULE-5776576043 [0,0,1,0,0,0|3,0,0]=4 437 B7R0.2 O=C(Cl)CC(=O)CCl MCULE-6416318811 [0,0,1,0,0,0|3,0,0]=4 438 B7R0.2 O=C(O)CC(=O)CCl MCULE-9671015150 [0,0,1,0,0,0|3,0,0]=4 439 B7R0.2 O=C(O)CC(=O)CO MCULE-2224143705 [0,0,1,0,0,0|3,0,0]=4 440 B7R0.4 C#CCCCC(=O)N MCULE-3927386617 [0,0,1,0,0,0|2,0,1]=4 441 B7R0.4 C#CCCNC(=O)C MCULE-2003551338 [0,0,1,0,0,0|2,0,1]=4 442 B7R0.4 C#CCCNC(=O)N MCULE-3889590992 [0,0,1,0,0,0|1,0,1]=3 443 B7R0.4 C#CCCOC(=O)N MCULE-4721276092 [0,0,1,0,0,0|2,0,1]=4 444 B7R0.4 C=CC=NNC(=O)N MCULE-6611985512 [0,0,1,0,0,0|2,0,1]=4 445 B7R0.4 C=CCCCC(=O)Cl MCULE-9125909850 [0,0,1,0,0,0|3,0,0]=4 446 B7R0.4 C=CCCCC(=O)O MCULE-6043142578 [0,0,1,0,0,0|3,0,0]=4 447 B7R0.4 C=CCCOC(=O)C MCULE-4554969214 [0,0,1,0,0,0|3,0,0]=4 448 B7R0.4 C=CCCOC(=O)Cl MCULE-1917342500 [0,0,1,0,0,0|3,0,0]=4 449 B7R0.4 C=CCONC(=O)C MCULE-1401456265 [0,0,1,0,0,0|3,0,0]=4 450 B7R0.4 CC(=CCCC=O)C MCULE-3815388926 [0,0,1,0,0,0|3,0,0]=4 451 B7R0.4 CC(=O)NCCC#N MCULE-1781318297 [0,0,1,0,0,0|2,0,1]=4 452 B7R0.4 CC(=O)NCCC=O MCULE-1907633123 [0,0,1,0,0,0|1,0,0]=2 453 B7R0.4 CC(=O)NCCCBr MCULE-5421597540 [0,0,1,0,0,0|2,0,1]=4 454 B7R0.4 CC(=O)NCCCCl MCULE-4056331581 [0,0,1,0,0,0|2,0,1]=4 455 B7R0.4 CC(=O)NCCCN MCULE-6321543480 [0,0,1,0,0,0|2,0,1]=4 456 B7R0.4 CC(=O)NCCCN MCULE-8441492497 [0,0,1,0,0,0|2,0,1]=4 457 B7R0.4 CC(=O)NCCCO MCULE-5627003249 [0,0,1,0,0,0|1,0,2]=4 458 B7R0.4 CC(=O)NCCON MCULE-3703048482 [0,0,1,0,0,0|3,0,0]=4 459 B7R0.4 CC(=O)SCCC=O MCULE-3054558493 [0,0,1,0,0,0|2,0,0]=3 460 B7R0.4 CC=CCCC(=O)O MCULE-4275247668 [0,0,1,0,0,0|3,0,0]=4 461 B7R0.4 CCCCCC(=O)N MCULE-3215992514 [0,0,1,0,0,0|2,0,1]=4 462 B7R0.4 CCCCNC(=N)N MCULE-4548909930 [0,0,1,0,0,0|2,0,1]=4 463 B7R0.4 CCCCNC(=N)N MCULE-4773969181 [0,0,1,0,0,0|2,0,1]=4 464 B7R0.4 CCCCNC(=O)C MCULE-7266335096 [0,0,1,0,0,0|2,0,1]=4 465 B7R0.4 CCCCNC(=O)Cl MCULE-2148016012 [0,0,1,0,0,0|2,0,1]=4 466 B7R0.4 CCCCNC(=O)N MCULE-3263036294 [0,0,1,0,0,0|1,0,1]=3 467 B7R0.4 CCCCNC(=S)N MCULE-7448930772 [0,0,1,0,0,0|1,1,1]=4 468 B7R0.4 CCCCOC(=O)N MCULE-7719579696 [0,0,1,0,0,0|2,0,1]=4 469 B7R0.4 CCNCCC(=O)N MCULE-4857735433 [0,0,1,0,0,0|1,0,1]=3 470 B7R0.4 CCNCCC(=O)N MCULE-8238114591 [0,0,1,0,0,0|1,0,1]=3 471 B7R0.4 CCNCCC(=O)O MCULE-4226597657 [0,0,1,0,0,0|2,0,1]=4 472 B7R0.4 CCNCCC(=O)O MCULE-9183951914 [0,0,1,0,0,0|2,0,1]=4 473 B7R0.4 CCOCNC(=O)N MCULE-7680870721 [0,0,1,0,0,0|2,0,1]=4 474 B7R0.4 CN(C)CCNC=O MCULE-6221074161 [0,0,1,0,0,0|3,0,0]=4 475 B7R0.4 CNCCCC(=O)N MCULE-8337447772 [0,0,1,0,0,0|3,0,0]=4 476 B7R0.4 CNCCCC(=O)N MCULE-9037809827 [0,0,1,0,0,0|3,0,0]=4 477 B7R0.4 CNCCNC(=O)C MCULE-5361712613 [0,0,1,0,0,0|3,0,0]=4 478 B7R0.4 CNCCNC(=O)C MCULE-9798024696 [0,0,1,0,0,0|3,0,0]=4 479 B7R0.4 COCCNC(=N)N MCULE-4122240317 [0,0,1,0,0,0|3,0,0]=4 480 B7R0.4 COCCNC(=N)N MCULE-5184785677 [0,0,1,0,0,0|3,0,0]=4 481 B7R0.4 COCCNC(=N)N MCULE-5799549903 [0,0,1,0,0,0|3,0,0]=4 482 B7R0.4 COCCNC(=O)C MCULE-2794263612 [0,0,1,0,0,0|3,0,0]=4 483 B7R0.4 COCCNC(=O)N MCULE-1380726553 [0,0,1,0,0,0|2,0,0]=3 484 B7R0.4 COCCNC(=S)N MCULE-1285240117 [0,0,1,0,0,0|2,1,0]=4 485 B7R0.4 COCCOC(=O)N MCULE-3401505850 [0,0,1,0,0,0|3,0,0]=4 486 B7R0.4 CSCCNC(=O)C MCULE-2739431878 [0,0,1,0,0,0|3,0,0]=4 487 B7R0.4 CSCCNC(=O)N MCULE-7254695938 [0,0,1,0,0,0|2,0,0]=3 488 B7R0.4 CSCCNC(=S)N MCULE-1778031613 [0,0,1,0,0,0|2,1,0]=4 489 B7R0.4 N#CCCNC(=S)N MCULE-1184051700 [0,0,1,0,0,0|1,1,1]=4 490 B7R0.4 NC(=O)CCCCBr MCULE-4949681497 [0,0,1,0,0,0|2,0,1]=4 491 B7R0.4 NC(=O)CCCCCl MCULE-7937142112 [0,0,1,0,0,0|2,0,1]=4 492 B7R0.4 NC(=O)CCCCO MCULE-4820227146 [0,0,1,0,0,0|1,0,2]=4 493 B7R0.4 NC(=O)NCCCO MCULE-3167491311 [0,0,1,0,0,0|0,0,2]=3 494 B7R0.4 NCCCCC(=O)N MCULE-3198962228 [0,0,1,0,0,0|2,0,1]=4 495 B7R0.4 NCCCCC(=O)N MCULE-7986221705 [0,0,1,0,0,0|2,0,1]=4 496 B7R0.4 NCCCNC(=O)N MCULE-1109440921 [0,0,1,0,0,0|1,0,1]=3 497 B7R0.4 NCCCNC(=O)N MCULE-3933221897 [0,0,1,0,0,0|1,0,1]=3 498 B7R0.4 O=C(O)CCC=CBr MCULE-1826887170 [0,0,1,0,0,0|3,0,0]=4 499 B7R0.4 O=C=NCCC(=O)Cl MCULE-4830401558 [0,0,1,0,0,0|1,0,2]=4 500 B7R0.4 O=CCCCC(=O)O MCULE-8389457571 [0,0,1,0,0,0|2,0,0]=3 501 B7R0.7 C/C=C/C(=O)OCC MCULE-8433823264 [0,0,1,0,0,0|3,0,0]=4 502 B7R0.7 C=CCC(=O)OCC MCULE-2006542536 [0,0,1,0,0,0|3,0,0]=4 503 B7R0.7 C=COC(=O)CCC MCULE-2764567967 [0,0,1,0,0,0|3,0,0]=4 504 B7R0.7 CC=CC(=O)OCC MCULE-1904771513 [0,0,1,0,0,0|3,0,0]=4 505 B7R0.7 CCNC(=O)CC#N MCULE-4756290560 [0,0,1,0,0,0|2,0,1]=4 506 B7R0.7 CCNC(=O)CCCl MCULE-3246776319 [0,0,1,0,0,0|2,0,1]=4 507 B7R0.7 CCNC(=O)CCN MCULE-2856252531 [0,0,1,0,0,0|1,0,1]=3 508 B7R0.7 CCNC(=O)CCN MCULE-3929666209 [0,0,1,0,0,0|1,0,1]=3 509 B7R0.7 CCNC(=O)CCO MCULE-3624072697 [0,0,1,0,0,0|1,0,2]=4 510 B7R0.7 CCNC(=O)CNC MCULE-1939824251 [0,0,1,0,0,0|3,0,0]=4 511 B7R0.7 CCNC(=O)CNC MCULE-2815515396 [0,0,1,0,0,0|3,0,0]=4 512 B7R0.7 CCNC(=O)NCC MCULE-2253571388 [0,0,1,0,0,0|1,0,1]=3 513 B7R0.7 CCNC(=O)OCC MCULE-3910060770 [0,0,1,0,0,0|2,0,1]=4 514 B7R0.7 CCNC(=S)NCC MCULE-8237270311 [0,0,1,0,0,0|1,1,1]=4 515 B7R0.7 CCOC(=O)/C=C/I MCULE-4105665503 [0,0,1,0,0,0|3,0,0]=4 516 B7R0.7 CCOC(=O)/C=C/O MCULE-1984925411 [0,0,1,0,0,0|2,0,1]=4 517 B7R0.7 CCOC(=O)/C=C/[O-] MCULE-5625833261 [0,0,1,0,0,0|2,0,1]=4 518 B7R0.7 CCOC(=O)/C=C\Br MCULE-7525620721 [0,0,1,0,0,0|3,0,0]=4 519 B7R0.7 CCOC(=O)/C=C\I MCULE-4741067503 [0,0,1,0,0,0|3,0,0]=4 520 B7R0.7 CCOC(=O)/C=C\N MCULE-1135242139 [0,0,1,0,0,0|3,0,0]=4 521 B7R0.7 CCOC(=O)C=CBr MCULE-3778834856 [0,0,1,0,0,0|3,0,0]=4 522 B7R0.7 CCOC(=O)C=CI MCULE-9930784067 [0,0,1,0,0,0|3,0,0]=4 523 B7R0.7 CCOC(=O)C=CO MCULE-2570791221 [0,0,1,0,0,0|2,0,1]=4 524 B7R0.7 CCOC(=O)C=C[O-] MCULE-8425740727 [0,0,1,0,0,0|2,0,1]=4 525 B7R0.7 CCOC(=O)CC=O MCULE-5042552247 [0,0,1,0,0,0|2,0,0]=3 526 B7R0.7 CCOC(=O)CCN MCULE-4383008445 [0,0,1,0,0,0|2,0,1]=4 527 B7R0.7 CCOC(=O)CCN MCULE-6873709061 [0,0,1,0,0,0|2,0,1]=4 528 B7R0.7 CCOC(=O)N=C=O MCULE-6030513409 [0,0,1,0,0,0|1,0,2]=4 529 B7R0.7 CCOC(=O)N=S=O MCULE-2418866175 [0,0,1,0,0,0|2,0,1]=4 530 B7R0.7 CCOC(=O)NCCl MCULE-9646468987 [0,0,1,0,0,0|2,0,1]=4 531 B7R0.7 CCOC(=O)NCO MCULE-1265242244 [0,0,1,0,0,0|1,0,2]=4 532 B7R0.7 CCOC(=O)NNC MCULE-8689837834 [0,0,1,0,0,0|3,0,0]=4 533 B7R0.7 CCOC(=O)NOC MCULE-2256963329 [0,0,1,0,0,0|3,0,0]=4 534 B7R0.7 CCOC(=O)[CH-]C=O MCULE-1944484299 [0,0,1,0,0,0|2,0,0]=3 535 B7R0.7 CCOC(=O)[CH-]C=O MCULE-5022028224 [0,0,1,0,0,0|2,0,0]=3 536 B7R0.7 O=C(NCO)NCO MCULE-8625819432 [0,0,1,0,0,0|1,0,2]=4 537 B7R0.7 O=CNC(=O)NC=O MCULE-8913644353 [0,0,1,0,0,0|1,0,1]=3 538 B9R2.8 O=C1CC2CC(C1)N2 MCULE-3666889878 [0,0,0,1,0,0|2,0,1]=4 539 B9R2.21 O=C1CC2CC2CN1 MCULE-8535104450 [0,0,0,1,0,0|2,0,1]=4 540 B9R2.21 O=C1CCC2CC2N1 MCULE-1049659983 [0,0,0,1,0,0|2,0,1]=4 541 B9R2.25 NC1=NC(=O)N2C1C2 MCULE-5660903088 [0,0,0,1,0,0|1,0,1]=3 542 B9R2.25 O=C1NC(=O)C2C1C2 MCULE-6452102558 [0,0,0,1,0,0|1,0,0]=2 543 B9R2.25 O=C1OC(=O)C2C1C2 MCULE-2570796017 [0,0,0,1,0,0|2,0,0]=3 544 B9R2.39 O=C1CC2CC1CN2 MCULE-1513637451 [0,0,0,1,0,0|2,0,1]=4 545 B9R2.39 O=C1CC2CC1CN2 MCULE-8245110165 [0,0,0,1,0,0|2,0,1]=4 546 B9R2.39 O=C1NC2CCC1C2 MCULE-2050587567 [0,0,0,1,0,0|2,0,1]=4 547 B9R2.39 O=C1N[C@@H]2CC[C@H]1C2 MCULE-2601085316 [0,0,0,1,0,0|2,0,1]=4 548 B9R2.39 O=C1N[C@H]2CC[C@@H]1C2 MCULE-6863863448 [0,0,0,1,0,0|2,0,1]=4 549 B9R2.39 [C@H]12CC[C@H](C1)C(=O)N2 MCULE-3838940137 [0,0,0,1,0,0|2,0,1]=4 550 B9R2.109 O=C1NCCC2C1C2 MCULE-8817732346 [0,0,0,1,0,0|2,0,1]=4 551 B7R1.2 C1(CNC(=O)C1)N MCULE-6663942203 [0,0,0,0,1,0|2,0,1]=4 552 B7R1.2 C1(CNC(=O)C1)N MCULE-7862049809 [0,0,0,0,1,0|2,0,1]=4 553 B7R1.2 C1(CNC(=O)C1)O MCULE-5557473335 [0,0,0,0,1,0|1,0,2]=4 554 B7R1.2 C1(COC(=O)N1)C MCULE-2821940224 [0,0,0,0,1,0|2,0,1]=4 555 B7R1.2 C=C1CCC(=O)O1 MCULE-2485348963 [0,0,0,0,1,0|2,0,0]=3 556 B7R1.2 C=C1CNC(=S)S1 MCULE-5840114105 [0,0,0,0,1,0|2,1,0]=4 557 B7R1.2 CC1=CC(=O)CC1 MCULE-5496838191 [0,0,0,0,1,0|2,0,0]=3 558 B7R1.2 CC1=CC(=O)CO1 MCULE-6570401610 [0,0,0,0,1,0|3,0,0]=4 559 B7R1.2 CC1=CC(=O)NO1 MCULE-4569959155 [0,0,0,0,1,0|3,0,0]=4 560 B7R1.2 CC1=CC(=O)OC1 MCULE-6549202383 [0,0,0,0,1,0|3,0,0]=4 561 B7R1.2 CC1=CCC(=O)O1 MCULE-5954539189 [0,0,0,0,1,0|2,0,1]=4 562 B7R1.2 CC1=CCC(=O)O1 MCULE-7236091694 [0,0,0,0,1,0|2,0,1]=4 563 B7R1.2 CC1=CCC(=O)S1 MCULE-5812502919 [0,0,0,0,1,0|2,0,1]=4 564 B7R1.2 CC1=CNC(=O)N1 MCULE-7571832495 [0,0,0,0,1,0|1,0,1]=3 565 B7R1.2 CC1=CSC(=O)N1 MCULE-6083480700 [0,0,0,0,1,0|2,0,1]=4 566 B7R1.2 CC1=NC(=O)NN1 MCULE-7112378155 [0,0,0,0,1,0|2,0,1]=4 567 B7R1.2 CC1=NNC(=O)C1 MCULE-2406140611 [0,0,0,0,1,0|3,0,0]=4 568 B7R1.2 CC1CCC(=O)C1 MCULE-6716533429 [0,0,0,0,1,0|2,0,1]=4 569 B7R1.2 CC1CCC(=O)N1 MCULE-8928464449 [0,0,0,0,1,0|1,0,1]=3 570 B7R1.2 CC1CCC(=O)N1 MCULE-9236321365 [0,0,0,0,1,0|1,0,1]=3 571 B7R1.2 CC1CCC(=O)O1 MCULE-3014789527 [0,0,0,0,1,0|2,0,1]=4 572 B7R1.2 CC1CNC(=O)C1 MCULE-7180589009 [0,0,0,0,1,0|2,0,1]=4 573 B7R1.2 CC1CNC(=O)N1 MCULE-3789430210 [0,0,0,0,1,0|1,0,1]=3 574 B7R1.2 CC1CNC(=O)O1 MCULE-1288358267 [0,0,0,0,1,0|2,0,1]=4 575 B7R1.2 CC1CNC(=S)N1 MCULE-5305006156 [0,0,0,0,1,0|1,1,1]=4 576 B7R1.2 CC1COC(=O)N1 MCULE-5787960105 [0,0,0,0,1,0|2,0,1]=4 577 B7R1.2 CC1NCC(=O)N1 MCULE-9790180398 [0,0,0,0,1,0|1,0,1]=3 578 B7R1.2 CN1CCC(=O)C1 MCULE-4017029823 [0,0,0,0,1,0|3,0,0]=4 579 B7R1.2 CN1CCC(=O)C1 MCULE-8684002131 [0,0,0,0,1,0|3,0,0]=4 580 B7R1.2 C[C@@H]1CC(=O)CN1 MCULE-1621276410 [0,0,0,0,1,0|2,0,1]=4 581 B7R1.2 C[C@@H]1CC(=O)CN1 MCULE-8721208019 [0,0,0,0,1,0|2,0,1]=4 582 B7R1.2 C[C@@H]1CCC(=O)N1 MCULE-2915942259 [0,0,0,0,1,0|1,0,1]=3 583 B7R1.2 C[C@@H]1CCC(=O)N1 MCULE-8123247569 [0,0,0,0,1,0|1,0,1]=3 584 B7R1.2 C[C@@H]1CCC(=O)O1 MCULE-5934008113 [0,0,0,0,1,0|2,0,1]=4 585 B7R1.2 C[C@@H]1CNC(=O)C1 MCULE-2439559922 [0,0,0,0,1,0|2,0,1]=4 586 B7R1.2 C[C@@H]1CNC(=O)C1 MCULE-7246323100 [0,0,0,0,1,0|2,0,1]=4 587 B7R1.2 C[C@@H]1CNC(=O)O1 MCULE-8336717940 [0,0,0,0,1,0|2,0,1]=4 588 B7R1.2 C[C@@H]1CNC(=O)O1 MCULE-9661080313 [0,0,0,0,1,0|2,0,1]=4 589 B7R1.2 C[C@@H]1COC(=O)N1 MCULE-2439588002 [0,0,0,0,1,0|2,0,1]=4 590 B7R1.2 C[C@@H]1COC(=O)N1 MCULE-5329850427 [0,0,0,0,1,0|2,0,1]=4 591 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-3272300487 [0,0,0,0,1,0|2,0,1]=4 592 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-4583858198 [0,0,0,0,1,0|2,0,1]=4 593 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-5135895304 [0,0,0,0,1,0|2,0,1]=4 594 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-6058896534 [0,0,0,0,1,0|2,0,1]=4 595 B7R1.2 C[C@H]1CCC(=O)C1 MCULE-7319626625 [0,0,0,0,1,0|2,0,1]=4 596 B7R1.2 C[C@H]1CCC(=O)N1 MCULE-2618122031 [0,0,0,0,1,0|1,0,1]=3 597 B7R1.2 C[C@H]1CCC(=O)N1 MCULE-6630066118 [0,0,0,0,1,0|1,0,1]=3 598 B7R1.2 C[C@H]1CCC(=O)O1 MCULE-5274272771 [0,0,0,0,1,0|2,0,1]=4 599 B7R1.2 C[C@H]1CNC(=O)C1 MCULE-3395896178 [0,0,0,0,1,0|2,0,1]=4 600 B7R1.2 C[C@H]1CNC(=O)C1 MCULE-8492971593 [0,0,0,0,1,0|2,0,1]=4 601 B7R1.2 C[C@H]1COC(=O)N1 MCULE-7240884474 [0,0,0,0,1,0|2,0,1]=4 602 B7R1.2 C[C@H]1COC(=O)N1 MCULE-7811823319 [0,0,0,0,1,0|2,0,1]=4 603 B7R1.2 N=C1CSC(=O)N1 MCULE-9647262906 [0,0,0,0,1,0|2,0,0]=3 604 B7R1.2 N=C1NC(=O)SS1 MCULE-7339465409 [0,0,0,0,1,0|3,0,0]=4 605 B7R1.2 NC1=CC(=O)CC1 MCULE-9465243079 [0,0,0,0,1,0|2,0,0]=3 606 B7R1.2 NC1=CC(=O)CS1 MCULE-9118810823 [0,0,0,0,1,0|3,0,0]=4 607 B7R1.2 NC1=CC(=O)NN1 MCULE-6721529473 [0,0,0,0,1,0|3,0,0]=4 608 B7R1.2 NC1=NC(=O)CO1 MCULE-5739646901 [0,0,0,0,1,0|2,0,1]=4 609 B7R1.2 NC1=NC(=O)CS1 MCULE-1329225872 [0,0,0,0,1,0|2,0,1]=4 610 B7R1.2 NC1=NC(=O)CS1 MCULE-6008399337 [0,0,0,0,1,0|2,0,1]=4 611 B7R1.2 NC1=NCC(=O)N1 MCULE-7816305365 [0,0,0,0,1,0|1,0,1]=3 612 B7R1.2 NC1=NCC(=O)N1 MCULE-9546104284 [0,0,0,0,1,0|1,0,1]=3 613 B7R1.2 NC1=NCC(=O)S1 MCULE-1885235061 [0,0,0,0,1,0|2,0,1]=4 614 B7R1.2 NC1=NNC(=O)C1 MCULE-1000997494 [0,0,0,0,1,0|3,0,0]=4 615 B7R1.2 NC1=NNC(=O)N1 MCULE-9633941721 [0,0,0,0,1,0|2,0,0]=3 616 B7R1.2 NC1CCC(=O)C1 MCULE-5102535286 [0,0,0,0,1,0|2,0,1]=4 617 B7R1.2 NC1CCC(=O)C1 MCULE-7722818264 [0,0,0,0,1,0|2,0,1]=4 618 B7R1.2 NC1CCC(=O)N1 MCULE-1843033026 [0,0,0,0,1,0|1,0,1]=3 619 B7R1.2 NC1CCC(=O)N1 MCULE-7671057220 [0,0,0,0,1,0|1,0,1]=3 620 B7R1.2 NC1CNC(=O)C1 MCULE-1690074091 [0,0,0,0,1,0|2,0,1]=4 621 B7R1.2 NC1CNC(=O)C1 MCULE-2563813057 [0,0,0,0,1,0|2,0,1]=4 622 B7R1.2 NC1CNC(=O)C1 MCULE-5332234739 [0,0,0,0,1,0|2,0,1]=4 623 B7R1.2 NC1CNC(=O)C1 MCULE-9955937074 [0,0,0,0,1,0|2,0,1]=4 624 B7R1.2 NC1NC(=O)CS1 MCULE-5789159592 [0,0,0,0,1,0|2,0,1]=4 625 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-1502944618 [0,0,0,0,1,0|2,0,1]=4 626 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-2444469131 [0,0,0,0,1,0|2,0,1]=4 627 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-7277309874 [0,0,0,0,1,0|2,0,1]=4 628 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-8533160250 [0,0,0,0,1,0|2,0,1]=4 629 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-1884894725 [0,0,0,0,1,0|2,0,1]=4 630 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-2130809002 [0,0,0,0,1,0|2,0,1]=4 631 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-3881338264 [0,0,0,0,1,0|2,0,1]=4 632 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-4324375667 [0,0,0,0,1,0|2,0,1]=4 633 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-5900761307 [0,0,0,0,1,0|2,0,1]=4 634 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-6007209179 [0,0,0,0,1,0|2,0,1]=4 635 B7R1.2 O=C1C=C(CC1)Br MCULE-8421005141 [0,0,0,0,1,0|2,0,0]=3 636 B7R1.2 O=C1C=C(CC1)Cl MCULE-4481059890 [0,0,0,0,1,0|2,0,0]=3 637 B7R1.2 O=C1C=C(CC1)I MCULE-9887353763 [0,0,0,0,1,0|2,0,0]=3 638 B7R1.2 O=C1C=C(CC1)O MCULE-4815747510 [0,0,0,0,1,0|1,0,1]=3 639 B7R1.2 O=C1C=C(CN1)Br MCULE-7250904402 [0,0,0,0,1,0|2,0,0]=3 640 B7R1.2 O=C1C=C(CN1)O MCULE-4305405716 [0,0,0,0,1,0|1,0,1]=3 641 B7R1.2 O=C1C=C(CO1)Br MCULE-8883097432 [0,0,0,0,1,0|3,0,0]=4 642 B7R1.2 O=C1C=C(CO1)O MCULE-5095558101 [0,0,0,0,1,0|2,0,1]=4 643 B7R1.2 O=C1C=C(SN1)Cl MCULE-6118293142 [0,0,0,0,1,0|3,0,0]=4 644 B7R1.2 O=C1C=CC(=O)C1 MCULE-7662591278 [0,0,0,0,1,0|1,0,2]=4 645 B7R1.2 O=C1C=CC(=O)N1 MCULE-3677915339 [0,0,0,0,1,0|0,0,2]=3 646 B7R1.2 O=C1C=CC(=O)O1 MCULE-5322674641 [0,0,0,0,1,0|1,0,2]=4 647 B7R1.2 O=C1CC(=O)NN1 MCULE-4591056937 [0,0,0,0,1,0|2,0,0]=3 648 B7R1.2 O=C1CC(CN1)O MCULE-8498039777 [0,0,0,0,1,0|1,0,2]=4 649 B7R1.2 O=C1CC(CN1)S MCULE-3257609096 [0,0,0,0,1,0|1,1,1]=4 650 B7R1.2 O=C1CCC(=O)C1 MCULE-6436831689 [0,0,0,0,1,0|1,0,0]=2 651 B7R1.2 O=C1CCC(=O)N1 MCULE-8278049979 [0,0,0,0,1,0|0,0,0]=1 652 B7R1.2 O=C1CCC(=O)O1 MCULE-1458819618 [0,0,0,0,1,0|1,0,0]=2 653 B7R1.2 O=C1CCC(C1)F MCULE-9585894610 [0,0,0,0,1,0|2,0,1]=4 654 B7R1.2 O=C1CCC(C1)I MCULE-5558007377 [0,0,0,0,1,0|2,0,1]=4 655 B7R1.2 O=C1CCC(C1)O MCULE-8500536547 [0,0,0,0,1,0|1,0,2]=4 656 B7R1.2 O=C1CCC(N1)O MCULE-1790956080 [0,0,0,0,1,0|0,0,2]=3 657 B7R1.2 O=C1CCC(O1)F MCULE-6874239017 [0,0,0,0,1,0|2,0,1]=4 658 B7R1.2 O=C1CCC(O1)O MCULE-5296344468 [0,0,0,0,1,0|1,0,2]=4 659 B7R1.2 O=C1CNC(=O)C1 MCULE-6981924013 [0,0,0,0,1,0|1,0,0]=2 660 B7R1.2 O=C1CNC(=O)N1 MCULE-6812812243 [0,0,0,0,1,0|0,0,0]=1 661 B7R1.2 O=C1CNC(=O)O1 MCULE-7702120642 [0,0,0,0,1,0|1,0,0]=2 662 B7R1.2 O=C1CNC(=O)S1 MCULE-5050685903 [0,0,0,0,1,0|1,0,0]=2 663 B7R1.2 O=C1CNC(=S)N1 MCULE-3766479597 [0,0,0,0,1,0|0,1,0]=2 664 B7R1.2 O=C1CNC(=S)S1 MCULE-4359186239 [0,0,0,0,1,0|1,1,0]=3 665 B7R1.2 O=C1CNC(S1)S MCULE-9237115672 [0,0,0,0,1,0|1,1,1]=4 666 B7R1.2 O=C1COC(=O)C1 MCULE-3258090872 [0,0,0,0,1,0|2,0,0]=3 667 B7R1.2 O=C1COC(=O)N1 MCULE-3103815953 [0,0,0,0,1,0|1,0,0]=2 668 B7R1.2 O=C1COC(=O)[N-]1 MCULE-2786348217 [0,0,0,0,1,0|1,0,1]=3 669 B7R1.2 O=C1CSC(=O)N1 MCULE-8206580994 [0,0,0,0,1,0|1,0,0]=2 670 B7R1.2 O=C1CSC(=S)N1 MCULE-8840169234 [0,0,0,0,1,0|1,1,0]=3 671 B7R1.2 O=C1C[C@@H](CN1)O MCULE-2016792324 [0,0,0,0,1,0|1,0,2]=4 672 B7R1.2 O=C1C[C@@H](CN1)O MCULE-9756194758 [0,0,0,0,1,0|1,0,2]=4 673 B7R1.2 O=C1C[C@H](CN1)O MCULE-2017150152 [0,0,0,0,1,0|1,0,2]=4 674 B7R1.2 O=C1C[C@H](CN1)O MCULE-5168961542 [0,0,0,0,1,0|1,0,2]=4 675 B7R1.2 O=C1C[C@H](CN1)S MCULE-6980612759 [0,0,0,0,1,0|1,1,1]=4 676 B7R1.2 O=C1C[C@H](CN1)S MCULE-7205538285 [0,0,0,0,1,0|1,1,1]=4 677 B7R1.2 O=C1N=C(NN1)S MCULE-4550378114 [0,0,0,0,1,0|1,1,1]=4 678 B7R1.2 O=C1NC(=CS1)O MCULE-2237666080 [0,0,0,0,1,0|1,0,2]=4 679 B7R1.2 O=C1NC(=S)CS1 MCULE-8601205978 [0,0,0,0,1,0|1,1,0]=3 680 B7R1.2 O=C1NC=C(S1)Cl MCULE-7571560638 [0,0,0,0,1,0|2,0,1]=4 681 B7R1.2 O=C1NCC(=S)N1 MCULE-9753398150 [0,0,0,0,1,0|0,1,0]=2 682 B7R1.2 O=C1NN=C(N1)Br MCULE-1124720587 [0,0,0,0,1,0|2,0,0]=3 683 B7R1.2 O=C1NN=C(N1)Cl MCULE-5593292847 [0,0,0,0,1,0|2,0,0]=3 684 B7R1.2 O=C1NN=C(S1)Cl MCULE-9941660941 [0,0,0,0,1,0|3,0,0]=4 685 B7R1.2 O=C1NNC(=O)N1 MCULE-5611157961 [0,0,0,0,1,0|1,0,0]=2 686 B7R1.2 O=C1NOC(=O)N1 MCULE-5599103299 [0,0,0,0,1,0|1,0,0]=2 687 B7R1.2 S=C1CCC(=S)N1 MCULE-1793012495 [0,0,0,0,1,0|0,2,0]=3 688 B7R1.2 [C@H]1(CCC(=O)C1)C MCULE-3827565169 [0,0,0,0,1,0|2,0,1]=4 689 B7R1.4 BrC1=C(CCC1)Br MCULE-2617233515 [0,0,0,0,1,0|3,0,0]=4 690 B7R1.4 C1(CCNC1=O)N MCULE-4906952813 [0,0,0,0,1,0|1,0,1]=3 691 B7R1.4 C1(CCNC1=O)N MCULE-9500853209 [0,0,0,0,1,0|1,0,1]=3 692 B7R1.4 C=C1CCNC1=O MCULE-2729105523 [0,0,0,0,1,0|1,0,0]=2 693 B7R1.4 C=C1CCOC1=O MCULE-5907828600 [0,0,0,0,1,0|2,0,0]=3 694 B7R1.4 CC1=CCCC1=O MCULE-3713655264 [0,0,0,0,1,0|2,0,0]=3 695 B7R1.4 CC1=CCOC1=O MCULE-9785490540 [0,0,0,0,1,0|2,0,1]=4 696 B7R1.4 CC1=CNNC1=O MCULE-9098077492 [0,0,0,0,1,0|2,0,1]=4 697 B7R1.4 CC1CCCC1=O MCULE-3710290162 [0,0,0,0,1,0|2,0,1]=4 698 B7R1.4 CC1CCNC1=O MCULE-7799644249 [0,0,0,0,1,0|1,0,1]=3 699 B7R1.4 CC1CCOC1=O MCULE-2223078294 [0,0,0,0,1,0|2,0,1]=4 700 B7R1.4 CC1NCCC1=O MCULE-4206844406 [0,0,0,0,1,0|1,0,1]=3 701 B7R1.4 CC1NCCC1=O MCULE-7025918222 [0,0,0,0,1,0|1,0,1]=3 702 B7R1.4 CC1OCCC1=O MCULE-8278816952 [0,0,0,0,1,0|2,0,1]=4 703 B7R1.4 CC1SCCC1=O MCULE-5264322365 [0,0,0,0,1,0|2,0,1]=4 704 B7R1.4 CN1CCCC1=O MCULE-1381506705 [0,0,0,0,1,0|3,0,0]=4 705 B7R1.4 CN1CCNC1=O MCULE-9774864412 [0,0,0,0,1,0|2,0,0]=3 706 B7R1.4 CN1CCNC1=S MCULE-5960493935 [0,0,0,0,1,0|2,1,0]=4 707 B7R1.4 CN1CCOC1=O MCULE-7467321799 [0,0,0,0,1,0|3,0,0]=4 708 B7R1.4 C[C@@H]1CCNC1=O MCULE-1037883660 [0,0,0,0,1,0|1,0,1]=3 709 B7R1.4 C[C@H]1CCNC1=O MCULE-9500360544 [0,0,0,0,1,0|1,0,1]=3 710 B7R1.4 NC1=CCOC1=O MCULE-9089854091 [0,0,0,0,1,0|2,0,1]=4 711 B7R1.4 NC1=CNNC1=O MCULE-5341060497 [0,0,0,0,1,0|2,0,1]=4 712 B7R1.4 NC1=CNNC1=O MCULE-9560987259 [0,0,0,0,1,0|2,0,1]=4 713 B7R1.4 NC1CCCC1=O MCULE-3654949473 [0,0,0,0,1,0|2,0,1]=4 714 B7R1.4 NC1CCCC1=O MCULE-6579965788 [0,0,0,0,1,0|2,0,1]=4 715 B7R1.4 NC1CCNC1=O MCULE-2061829370 [0,0,0,0,1,0|1,0,1]=3 716 B7R1.4 NC1CCNC1=O MCULE-4272585488 [0,0,0,0,1,0|1,0,1]=3 717 B7R1.4 NC1CCOC1=O MCULE-1011670330 [0,0,0,0,1,0|2,0,1]=4 718 B7R1.4 NC1CCOC1=O MCULE-1366805966 [0,0,0,0,1,0|2,0,1]=4 719 B7R1.4 NC1CCOC1=O MCULE-1874490478 [0,0,0,0,1,0|2,0,1]=4 720 B7R1.4 NC1CCOC1=O MCULE-4434379753 [0,0,0,0,1,0|2,0,1]=4 721 B7R1.4 NC1CCOC1=O MCULE-7302633352 [0,0,0,0,1,0|2,0,1]=4 722 B7R1.4 NC1CCOC1=O MCULE-8009953591 [0,0,0,0,1,0|2,0,1]=4 723 B7R1.4 NC1CCSC1=O MCULE-5181497015 [0,0,0,0,1,0|2,0,1]=4 724 B7R1.4 NC1CCSC1=O MCULE-8775141567 [0,0,0,0,1,0|2,0,1]=4 725 B7R1.4 NC1CONC1=O MCULE-3118867985 [0,0,0,0,1,0|2,0,1]=4 726 B7R1.4 NC1CONC1=O MCULE-3159218372 [0,0,0,0,1,0|2,0,1]=4 727 B7R1.4 NN1CCCC1=O MCULE-2994786381 [0,0,0,0,1,0|3,0,0]=4 728 B7R1.4 NN1CCCC1=O MCULE-5599329775 [0,0,0,0,1,0|3,0,0]=4 729 B7R1.4 NN1CCNC1=O MCULE-9094725216 [0,0,0,0,1,0|2,0,0]=3 730 B7R1.4 NN1CCNC1=S MCULE-6710971353 [0,0,0,0,1,0|2,1,0]=4 731 B7R1.4 NN1CCOC1=O MCULE-7407834106 [0,0,0,0,1,0|3,0,0]=4 732 B7R1.4 NN1CCOC1=O MCULE-8091613930 [0,0,0,0,1,0|3,0,0]=4 733 B7R1.4 N[C@@H]1CCNC1=O MCULE-2357766642 [0,0,0,0,1,0|1,0,1]=3 734 B7R1.4 N[C@@H]1CCNC1=O MCULE-9089591546 [0,0,0,0,1,0|1,0,1]=3 735 B7R1.4 N[C@@H]1CCNC1=O MCULE-9558758567 [0,0,0,0,1,0|1,0,1]=3 736 B7R1.4 N[C@@H]1CCNC1=O MCULE-9668255740 [0,0,0,0,1,0|1,0,1]=3 737 B7R1.4 N[C@@H]1CCOC1=O MCULE-1027751896 [0,0,0,0,1,0|2,0,1]=4 738 B7R1.4 N[C@@H]1CCOC1=O MCULE-4034349263 [0,0,0,0,1,0|2,0,1]=4 739 B7R1.4 N[C@@H]1CCOC1=O MCULE-8790782772 [0,0,0,0,1,0|2,0,1]=4 740 B7R1.4 N[C@@H]1CCOC1=O MCULE-9300265861 [0,0,0,0,1,0|2,0,1]=4 741 B7R1.4 N[C@@H]1CCSC1=O MCULE-1269968791 [0,0,0,0,1,0|2,0,1]=4 742 B7R1.4 N[C@@H]1CCSC1=O MCULE-5374422420 [0,0,0,0,1,0|2,0,1]=4 743 B7R1.4 N[C@@H]1CCSC1=O MCULE-8203732076 [0,0,0,0,1,0|2,0,1]=4 744 B7R1.4 N[C@@H]1CCSC1=O MCULE-8418670804 [0,0,0,0,1,0|2,0,1]=4 745 B7R1.4 N[C@@H]1CONC1=O MCULE-4212827696 [0,0,0,0,1,0|2,0,1]=4 746 B7R1.4 N[C@@H]1CONC1=O MCULE-6014142329 [0,0,0,0,1,0|2,0,1]=4 747 B7R1.4 N[C@H]1CCNC1=O MCULE-2327147408 [0,0,0,0,1,0|1,0,1]=3 748 B7R1.4 N[C@H]1CCNC1=O MCULE-2923469662 [0,0,0,0,1,0|1,0,1]=3 749 B7R1.4 N[C@H]1CCNC1=O MCULE-5882745021 [0,0,0,0,1,0|1,0,1]=3 750 B7R1.4 N[C@H]1CCNC1=O MCULE-7846724738 [0,0,0,0,1,0|1,0,1]=3 751 B7R1.4 N[C@H]1CCOC1=O MCULE-4393293388 [0,0,0,0,1,0|2,0,1]=4 752 B7R1.4 N[C@H]1CCOC1=O MCULE-4751602783 [0,0,0,0,1,0|2,0,1]=4 753 B7R1.4 N[C@H]1CCOC1=O MCULE-7924572479 [0,0,0,0,1,0|2,0,1]=4 754 B7R1.4 N[C@H]1CCOC1=O MCULE-8545644747 [0,0,0,0,1,0|2,0,1]=4 755 B7R1.4 N[C@H]1CCOC1=O MCULE-8634641228 [0,0,0,0,1,0|2,0,1]=4 756 B7R1.4 N[C@H]1CCSC1=O MCULE-4497814170 [0,0,0,0,1,0|2,0,1]=4 757 B7R1.4 N[C@H]1CCSC1=O MCULE-6209097230 [0,0,0,0,1,0|2,0,1]=4 758 B7R1.4 N[C@H]1CCSC1=O MCULE-6419348515 [0,0,0,0,1,0|2,0,1]=4 759 B7R1.4 N[C@H]1CCSC1=O MCULE-9091827364 [0,0,0,0,1,0|2,0,1]=4 760 B7R1.4 N[C@H]1CONC1=O MCULE-4286940154 [0,0,0,0,1,0|2,0,1]=4 761 B7R1.4 N[C@H]1CONC1=O MCULE-9925977120 [0,0,0,0,1,0|2,0,1]=4 762 B7R1.4 O=C1CCC=C1Br MCULE-1509582125 [0,0,0,0,1,0|2,0,0]=3 763 B7R1.4 O=C1CCC=C1I MCULE-2710048446 [0,0,0,0,1,0|2,0,0]=3 764 B7R1.4 O=C1CCC=C1O MCULE-8745661989 [0,0,0,0,1,0|1,0,1]=3 765 B7R1.4 O=C1CCCC1=O MCULE-8040167119 [0,0,0,0,1,0|1,0,0]=2 766 B7R1.4 O=C1CCCC1Br MCULE-3651373380 [0,0,0,0,1,0|2,0,1]=4 767 B7R1.4 O=C1CCCC1Cl MCULE-7745647260 [0,0,0,0,1,0|2,0,1]=4 768 B7R1.4 O=C1CCCC1F MCULE-8001765295 [0,0,0,0,1,0|2,0,1]=4 769 B7R1.4 O=C1CCCC1O MCULE-6795188798 [0,0,0,0,1,0|1,0,2]=4 770 B7R1.4 O=C1CCNC1=O MCULE-6243503430 [0,0,0,0,1,0|0,0,0]=1 771 B7R1.4 O=C1NCCC1Br MCULE-5321265801 [0,0,0,0,1,0|1,0,1]=3 772 B7R1.4 O=C1NCCC1Cl MCULE-1663035789 [0,0,0,0,1,0|1,0,1]=3 773 B7R1.4 O=C1NCCC1F MCULE-2209899044 [0,0,0,0,1,0|1,0,1]=3 774 B7R1.4 O=C1NCCC1O MCULE-8818841339 [0,0,0,0,1,0|0,0,2]=3 775 B7R1.4 O=C1NCCC1O MCULE-9662824811 [0,0,0,0,1,0|0,0,2]=3 776 B7R1.4 O=C1NCC[C@@H]1O MCULE-3212474164 [0,0,0,0,1,0|0,0,2]=3 777 B7R1.4 O=C1NCC[C@@H]1O MCULE-7816291255 [0,0,0,0,1,0|0,0,2]=3 778 B7R1.4 O=C1NCC[C@H]1O MCULE-1281835510 [0,0,0,0,1,0|0,0,2]=3 779 B7R1.4 O=C1NCC[C@H]1O MCULE-6809356348 [0,0,0,0,1,0|0,0,2]=3 780 B7R1.4 O=C1OCC=C1Br MCULE-9287853531 [0,0,0,0,1,0|2,0,1]=4 781 B7R1.4 O=C1OCCC1Br MCULE-8316114331 [0,0,0,0,1,0|2,0,1]=4 782 B7R1.4 O=C1OCCC1O MCULE-2144002601 [0,0,0,0,1,0|1,0,2]=4 783 B7R1.4 O=C1OCCC1S MCULE-2130434062 [0,0,0,0,1,0|1,1,1]=4 784 B7R1.4 O=C1OCC[C@@H]1O MCULE-7764011790 [0,0,0,0,1,0|1,0,2]=4 785 B7R1.4 O=C1OCC[C@@H]1O MCULE-9001729998 [0,0,0,0,1,0|1,0,2]=4 786 B7R1.4 O=C1OCC[C@H]1O MCULE-6949645282 [0,0,0,0,1,0|1,0,2]=4 787 B7R1.4 O=C1OCC[C@H]1O MCULE-7110242636 [0,0,0,0,1,0|1,0,2]=4 788 B7R1.4 [NH3+][C@H]1CCOC1=O MCULE-8903471982 [0,0,0,0,1,0|2,0,1]=4 789 B9R1.48 CC1=CC(=NCCN1)C MCULE-2717923585 [0,0,0,0,0,1|3,0,0]=4 790 B9R1.48 CC1=CC(=NCCN1)C MCULE-9879421891 [0,0,0,0,0,1|3,0,0]=4 791 B9R1.48 CC1=CC(=O)CCCC1 MCULE-5466118884 [0,0,0,0,0,1|3,0,0]=4 792 B9R1.48 CC1CC(=O)NCCN1 MCULE-4537177994 [0,0,0,0,0,1|2,0,1]=4 793 B9R1.48 CC1CC(=O)NCCS1 MCULE-3715670462 [0,0,0,0,0,1|2,0,1]=4 794 B9R1.48 CC1CCCCC(=O)N1 MCULE-8985894348 [0,0,0,0,0,1|2,0,1]=4 795 B9R1.48 CC1CNCCC(=O)N1 MCULE-3663408616 [0,0,0,0,0,1|1,0,1]=3 796 B9R1.48 CN1CCCNC(=O)C1 MCULE-9846049599 [0,0,0,0,0,1|3,0,0]=4 797 B9R1.48 C[C@H]1CC(=O)NCCN1 MCULE-6214285788 [0,0,0,0,0,1|2,0,1]=4 798 B9R1.48 NC1CCCNC(=O)C1 MCULE-3170887073 [0,0,0,0,0,1|2,0,1]=4 799 B9R1.48 O=C1CC(CCCN1)O MCULE-6648954515 [0,0,0,0,0,1|1,0,2]=4 800 B9R1.48 O=C1CCCCC(=O)C1 MCULE-7105668998 [0,0,0,0,0,1|2,0,0]=3 801 B9R1.48 O=C1CCCCC(=O)N1 MCULE-4575266335 [0,0,0,0,0,1|1,0,0]=2 802 B9R1.48 O=C1CCCCC(=O)O1 MCULE-7893102377 [0,0,0,0,0,1|2,0,0]=3 803 B9R1.48 O=C1CCCCC(=S)N1 MCULE-9950295037 [0,0,0,0,0,1|1,1,0]=3 804 B9R1.48 O=C1CCCCC(N1)O MCULE-6756895418 [0,0,0,0,0,1|1,0,2]=4 805 B9R1.48 O=C1CCCNC(=O)C1 MCULE-3387303399 [0,0,0,0,0,1|1,0,0]=2 806 B9R1.49 CC1CCNC(=O)CC1 MCULE-4158970437 [0,0,0,0,0,1|2,0,1]=4 807 B9R1.49 CC1CNC(=O)CCN1 MCULE-4770101901 [0,0,0,0,0,1|1,0,1]=3 808 B9R1.49 CC1CNC(=O)CCN1 MCULE-5299288950 [0,0,0,0,0,1|1,0,1]=3 809 B9R1.49 CN1CCNC(=O)CC1 MCULE-4386852783 [0,0,0,0,0,1|3,0,0]=4 810 B9R1.49 CN1CCNC(=O)CC1 MCULE-7599377981 [0,0,0,0,0,1|3,0,0]=4 811 B9R1.49 NC1CCCC(=O)NC1 MCULE-1344459585 [0,0,0,0,0,1|2,0,1]=4 812 B9R1.49 NC1CCCC(=O)NC1 MCULE-1546951296 [0,0,0,0,0,1|2,0,1]=4 813 B9R1.49 NC1CCNC(=O)CC1 MCULE-5608507579 [0,0,0,0,0,1|2,0,1]=4 814 B9R1.49 NC1CCNC(=O)CC1 MCULE-7880148448 [0,0,0,0,0,1|2,0,1]=4 815 B9R1.49 O=C1CCC(=O)COC1 MCULE-3449745230 [0,0,0,0,0,1|3,0,0]=4 816 B9R1.49 O=C1CCCC(=O)NC1 MCULE-4912384035 [0,0,0,0,0,1|1,0,0]=2 817 B9R1.49 O=C1CCCC(CN1)O MCULE-2883103344 [0,0,0,0,0,1|1,0,2]=4 818 B9R1.49 O=C1CCCS(=O)CC1 MCULE-7517634998 [0,0,0,0,0,1|3,0,0]=4 819 B9R1.49 O=C1CCNC(=O)CC1 MCULE-7393024422 [0,0,0,0,0,1|1,0,0]=2 820 B6R0.1 C#CC(=O)NCC MCULE-3703208943 [1,0,1,0,0,0|1,0,1]=4 821 B6R0.1 C(=C/C(=O)CC)\C MCULE-9250312874 [1,0,1,0,0,0|2,0,0]=4 822 B6R0.1 C/C=C/C(=O)OC MCULE-8935178488 [1,0,1,0,0,0|2,0,0]=4 823 B6R0.1 C=CC(=O)CCC MCULE-9373104880 [1,0,1,0,0,0|2,0,0]=4 824 B6R0.1 C=CC(=O)NCC MCULE-3515057147 [1,0,1,0,0,0|1,0,0]=3 825 B6R0.1 C=CC(=O)NCO MCULE-3627112877 [1,0,1,0,0,0|2,0,0]=4 826 B6R0.1 C=CC(=O)OCC MCULE-9281713240 [1,0,1,0,0,0|2,0,0]=4 827 B6R0.1 C=CCC(=O)CN MCULE-3960819679 [1,0,1,0,0,0|2,0,0]=4 828 B6R0.1 C=CCC(=O)CN MCULE-8089375331 [1,0,1,0,0,0|2,0,0]=4 829 B6R0.1 C=CCC(=O)NC MCULE-4823208577 [1,0,1,0,0,0|1,0,1]=4 830 B6R0.1 C=COC(=O)CC MCULE-7662621547 [1,0,1,0,0,0|2,0,0]=4 831 B6R0.1 CC/C=C(\C)/C=O MCULE-6692882718 [1,0,1,0,0,0|2,0,0]=4 832 B6R0.1 CC=CC(=O)CC MCULE-5948495959 [1,0,1,0,0,0|2,0,0]=4 833 B6R0.1 CC=CC(=O)OC MCULE-1093700917 [1,0,1,0,0,0|2,0,0]=4 834 B6R0.1 CCC(=O)NOC MCULE-4440074406 [1,0,1,0,0,0|2,0,0]=4 835 B6R0.1 CCC(C)NC=O MCULE-2197007756 [1,0,1,0,0,0|1,0,1]=4 836 B6R0.1 CCC=C(C)C=O MCULE-1636090264 [1,0,1,0,0,0|2,0,0]=4 837 B6R0.1 CCCC(=O)NC MCULE-5770149071 [1,0,1,0,0,0|1,0,1]=4 838 B6R0.1 CCCC(=O)NN MCULE-3660167295 [1,0,1,0,0,0|2,0,0]=4 839 B6R0.1 CCCC(=O)NO MCULE-8710375368 [1,0,1,0,0,0|1,0,1]=4 840 B6R0.1 CCNC(=O)CBr MCULE-5393521747 [1,0,1,0,0,0|1,0,1]=4 841 B6R0.1 CCNC(=O)CC MCULE-8820594723 [1,0,1,0,0,0|1,0,1]=4 842 B6R0.1 CCNC(=O)CCl MCULE-7288703153 [1,0,1,0,0,0|1,0,1]=4 843 B6R0.1 CCNC(=O)CN MCULE-1913543460 [1,0,1,0,0,0|1,0,1]=4 844 B6R0.1 CCNC(=O)CN MCULE-5473845751 [1,0,1,0,0,0|1,0,1]=4 845 B6R0.1 CCNC(=O)CO MCULE-1386307800 [1,0,1,0,0,0|0,0,2]=4 846 B6R0.1 CCNC(=O)NC MCULE-7197803115 [1,0,1,0,0,0|0,0,1]=3 847 B6R0.1 CCNC(=O)NN MCULE-9055200574 [1,0,1,0,0,0|1,0,0]=3 848 B6R0.1 CCNC(=O)NO MCULE-3264850022 [1,0,1,0,0,0|0,0,1]=3 849 B6R0.1 CCNC(=O)OC MCULE-7110705188 [1,0,1,0,0,0|1,0,1]=4 850 B6R0.1 CCNC(=S)NN MCULE-9599210899 [1,0,1,0,0,0|1,1,0]=4 851 B6R0.1 CCOC(=O)C=O MCULE-3433596669 [1,0,1,0,0,0|1,0,0]=3 852 B6R0.1 CCOC(=O)NC MCULE-5506841198 [1,0,1,0,0,0|1,0,1]=4 853 B6R0.1 CCOC(=O)NN MCULE-9872948119 [1,0,1,0,0,0|2,0,0]=4 854 B6R0.1 CCOC(=O)NO MCULE-4701193610 [1,0,1,0,0,0|1,0,1]=4 855 B6R0.1 CNC(=O)CCBr MCULE-9239224841 [1,0,1,0,0,0|1,0,1]=4 856 B6R0.1 CNC(=O)CCCl MCULE-7130866366 [1,0,1,0,0,0|1,0,1]=4 857 B6R0.1 CNC(=O)CCN MCULE-1374127264 [1,0,1,0,0,0|0,0,1]=3 858 B6R0.1 CNC(=O)CCN MCULE-3948893656 [1,0,1,0,0,0|0,0,1]=3 859 B6R0.1 CNC(=O)CCO MCULE-3222339741 [1,0,1,0,0,0|1,0,1]=4 860 B6R0.1 CNC(=O)CCS MCULE-2385806944 [1,0,1,0,0,0|1,0,1]=4 861 B6R0.1 CNC(=O)CON MCULE-6451598359 [1,0,1,0,0,0|1,0,1]=4 862 B6R0.1 CNC(=O)CON MCULE-8743298594 [1,0,1,0,0,0|1,0,1]=4 863 B6R0.1 CNCC(=O)NC MCULE-4579550577 [1,0,1,0,0,0|2,0,0]=4 864 B6R0.1 CNCC(=O)NC MCULE-7833395637 [1,0,1,0,0,0|2,0,0]=4 865 B6R0.1 CNNC(=O)OC MCULE-4763095719 [1,0,1,0,0,0|2,0,0]=4 866 B6R0.1 COC(=O)C=CN MCULE-4685220707 [1,0,1,0,0,0|2,0,0]=4 867 B6R0.1 COC(=O)CC=O MCULE-6624474559 [1,0,1,0,0,0|2,0,0]=4 868 B6R0.1 COC(=O)CCN MCULE-2306060188 [1,0,1,0,0,0|1,0,1]=4 869 B6R0.1 COC(=O)CCN MCULE-8245275833 [1,0,1,0,0,0|1,0,1]=4 870 B6R0.1 COC(=O)NC=O MCULE-9852632340 [1,0,1,0,0,0|1,0,0]=3 871 B6R0.1 CONC(=O)OC MCULE-9304532248 [1,0,1,0,0,0|2,0,0]=4 872 B6R0.1 NCCC(=O)CN MCULE-3906468943 [1,0,1,0,0,0|1,0,1]=4 873 B6R0.1 NCCC(=O)CN MCULE-9593243702 [1,0,1,0,0,0|1,0,1]=4 874 B6R0.1 NNC(=O)CCO MCULE-6184351353 [1,0,1,0,0,0|2,0,0]=4 875 B6R0.1 NNC(=O)CCS MCULE-9322963076 [1,0,1,0,0,0|2,0,0]=4 876 B6R0.1 O=C(CCCl)NO MCULE-5569658108 [1,0,1,0,0,0|1,0,1]=4 877 B6R0.2 C=C(C)CC(=O)C MCULE-3534735279 [1,0,1,0,0,0|2,0,0]=4 878 B6R0.2 C=C(C)OC(=O)C MCULE-9345377025 [1,0,1,0,0,0|2,0,0]=4 879 B6R0.2 CC(=CC(=O)N)C MCULE-6264319579 [1,0,1,0,0,0|2,0,0]=4 880 B6R0.2 CC(=N)CC(=O)C MCULE-4678643052 [1,0,1,0,0,0|2,0,0]=4 881 B6R0.2 CC(=O)/C=C(/C)\N MCULE-1235186190 [1,0,1,0,0,0|2,0,0]=4 882 B6R0.2 CC(=O)/C=C(/C)\[O-] MCULE-3445340105 [1,0,1,0,0,0|1,0,1]=4 883 B6R0.2 CC(=O)/C=C(/C)\[O-] MCULE-7833799417 [1,0,1,0,0,0|1,0,1]=4 884 B6R0.2 CC(=O)/C=C(\C)/N MCULE-6412393370 [1,0,1,0,0,0|2,0,0]=4 885 B6R0.2 CC(=O)C=C(C)C MCULE-4922478422 [1,0,1,0,0,0|2,0,0]=4 886 B6R0.2 CC(=O)C=C(C)N MCULE-2247743178 [1,0,1,0,0,0|2,0,0]=4 887 B6R0.2 CC(=O)C=C(C)O MCULE-7345258397 [1,0,1,0,0,0|1,0,1]=4 888 B6R0.2 CC(=O)C=C(C)[O-] MCULE-7733093724 [1,0,1,0,0,0|1,0,1]=4 889 B6R0.2 CC(=O)CC(=O)C MCULE-6481204381 [1,0,1,0,0,0|1,0,0]=3 890 B6R0.2 CC(=O)CC(=O)N MCULE-1618058771 [1,0,1,0,0,0|1,0,0]=3 891 B6R0.2 CC(=O)CC(=O)O MCULE-2601276539 [1,0,1,0,0,0|2,0,0]=4 892 B6R0.2 CC(=O)CC(=O)[O-] MCULE-6317885864 [1,0,1,0,0,0|2,0,0]=4 893 B6R0.2 CC(=O)CC(=O)[O-] MCULE-8448177875 [1,0,1,0,0,0|2,0,0]=4 894 B6R0.2 CC(=O)NC(=N)N MCULE-9300028018 [1,0,1,0,0,0|1,0,0]=3 895 B6R0.2 CC(=O)NC(=O)C MCULE-3040534108 [1,0,1,0,0,0|0,0,0]=2 896 B6R0.2 CC(=O)NC(=O)N MCULE-8999775359 [1,0,1,0,0,0|0,0,0]=2 897 B6R0.2 CC(=O)NC(=S)N MCULE-8448117000 [1,0,1,0,0,0|0,1,0]=3 898 B6R0.2 CC(=O)NC(C)C MCULE-2095134698 [1,0,1,0,0,0|1,0,1]=4 899 B6R0.2 CC(=O)NN(C)C MCULE-3444969121 [1,0,1,0,0,0|2,0,0]=4 900 B6R0.2 CC(=O)NN(C)C MCULE-5383938091 [1,0,1,0,0,0|2,0,0]=4 901 B6R0.2 CC(=O)OC(=O)C MCULE-9184217748 [1,0,1,0,0,0|1,0,0]=3 902 B6R0.2 CC(=O)SC(=O)C MCULE-5749449964 [1,0,1,0,0,0|1,0,0]=3 903 B6R0.2 CC(=O)[CH-]C(=O)C MCULE-4855074933 [1,0,1,0,0,0|1,0,0]=3 904 B6R0.2 CC(=O)[CH-]C(=O)C MCULE-6905854247 [1,0,1,0,0,0|1,0,0]=3 905 B6R0.2 CC(C)NC(=O)N MCULE-2725741897 [1,0,1,0,0,0|1,0,1]=4 906 B6R0.2 CN(C)NC(=O)N MCULE-4462686977 [1,0,1,0,0,0|2,0,0]=4 907 B6R0.2 N=C(N)NC(=O)N MCULE-1919966850 [1,0,1,0,0,0|2,0,0]=4 908 B6R0.2 N=C(N)NC(=O)N MCULE-3428379172 [1,0,1,0,0,0|2,0,0]=4 909 B6R0.2 N=C(N)NC(=O)N MCULE-6044803486 [1,0,1,0,0,0|2,0,0]=4 910 B6R0.2 N=C(N)NC(=O)N MCULE-8893931961 [1,0,1,0,0,0|2,0,0]=4 911 B6R0.2 NC(=O)CC(=O)N MCULE-7675159766 [1,0,1,0,0,0|2,0,0]=4 912 B6R0.2 NC(=O)CC(=O)O MCULE-1168254626 [1,0,1,0,0,0|2,0,0]=4 913 B6R0.2 NC(=O)NC(=O)N MCULE-4571627886 [1,0,1,0,0,0|1,0,0]=3 914 B6R0.4 C#CCCC(=O)N MCULE-4490482235 [1,0,1,0,0,0|1,0,1]=4 915 B6R0.4 C#CCNC(=O)N MCULE-4499144419 [1,0,1,0,0,0|0,0,2]=4 916 B6R0.4 C/C=C/CC(=O)N MCULE-1942934157 [1,0,1,0,0,0|1,0,1]=4 917 B6R0.4 C/C=N/NC(=O)N MCULE-5855402964 [1,0,1,0,0,0|1,0,1]=4 918 B6R0.4 C=CCCC(=N)N MCULE-6900789687 [1,0,1,0,0,0|2,0,0]=4 919 B6R0.4 C=CCCC(=N)N MCULE-8560021860 [1,0,1,0,0,0|2,0,0]=4 920 B6R0.4 C=CCCC(=O)C MCULE-9598399930 [1,0,1,0,0,0|2,0,0]=4 921 B6R0.4 C=CCCC(=O)Cl MCULE-7378353157 [1,0,1,0,0,0|2,0,0]=4 922 B6R0.4 C=CCCC(=O)N MCULE-7202462484 [1,0,1,0,0,0|1,0,0]=3 923 B6R0.4 C=CCCC(=O)O MCULE-6221951425 [1,0,1,0,0,0|2,0,0]=4 924 B6R0.4 C=CCNC(=O)C MCULE-7903624915 [1,0,1,0,0,0|1,0,1]=4 925 B6R0.4 C=CCNC(=O)N MCULE-1210131291 [1,0,1,0,0,0|0,0,1]=3 926 B6R0.4 C=CCNC(=S)N MCULE-4099442157 [1,0,1,0,0,0|0,1,1]=4 927 B6R0.4 C=CCOC(=O)N MCULE-4119124558 [1,0,1,0,0,0|1,0,1]=4 928 B6R0.4 C=CNCC(=O)O MCULE-5142273921 [1,0,1,0,0,0|2,0,0]=4 929 B6R0.4 CC(=O)CCC=O MCULE-4767690464 [1,0,1,0,0,0|1,0,0]=3 930 B6R0.4 CC(=O)NCCCl MCULE-7865062188 [1,0,1,0,0,0|2,0,0]=4 931 B6R0.4 CC(=O)NCCN MCULE-2230084818 [1,0,1,0,0,0|2,0,0]=4 932 B6R0.4 CC(=O)NCCO MCULE-5968518415 [1,0,1,0,0,0|1,0,1]=4 933 B6R0.4 CC(=O)NCCS MCULE-3345813615 [1,0,1,0,0,0|1,1,0]=4 934 B6R0.4 CC/C=C/C(=N)N MCULE-7871697378 [1,0,1,0,0,0|2,0,0]=4 935 B6R0.4 CC/C=C/C(=N)N MCULE-9276291098 [1,0,1,0,0,0|2,0,0]=4 936 B6R0.4 CC/C=C/C(=O)Cl MCULE-8929214872 [1,0,1,0,0,0|2,0,0]=4 937 B6R0.4 CC/C=C/C(=O)O MCULE-4888215476 [1,0,1,0,0,0|2,0,0]=4 938 B6R0.4 CC=NNC(=O)N MCULE-3878774235 [1,0,1,0,0,0|1,0,1]=4 939 B6R0.4 CCC=CC(=O)C MCULE-2986269826 [1,0,1,0,0,0|2,0,0]=4 940 B6R0.4 CCC=CC(=O)Cl MCULE-5159865849 [1,0,1,0,0,0|2,0,0]=4 941 B6R0.4 CCC=CC(=O)O MCULE-3920494238 [1,0,1,0,0,0|2,0,0]=4 942 B6R0.4 CCCCC(=O)N MCULE-6419483436 [1,0,1,0,0,0|1,0,1]=4 943 B6R0.4 CCCNC(=N)N MCULE-6381843991 [1,0,1,0,0,0|1,0,1]=4 944 B6R0.4 CCCNC(=N)N MCULE-8286774592 [1,0,1,0,0,0|1,0,1]=4 945 B6R0.4 CCCNC(=O)C MCULE-5899703886 [1,0,1,0,0,0|1,0,1]=4 946 B6R0.4 CCCNC(=O)Cl MCULE-2937184966 [1,0,1,0,0,0|1,0,1]=4 947 B6R0.4 CCCNC(=O)N MCULE-8528844765 [1,0,1,0,0,0|0,0,1]=3 948 B6R0.4 CCCNC(=S)N MCULE-3142756488 [1,0,1,0,0,0|0,1,1]=4 949 B6R0.4 CCCOC(=O)N MCULE-2760622567 [1,0,1,0,0,0|1,0,1]=4 950 B6R0.4 CCNCC(=O)N MCULE-1787248899 [1,0,1,0,0,0|1,0,1]=4 951 B6R0.4 CCNCC(=O)N MCULE-3821700273 [1,0,1,0,0,0|1,0,1]=4 952 B6R0.4 CNCCC(=O)N MCULE-1118876220 [1,0,1,0,0,0|0,0,1]=3 953 B6R0.4 CNCCC(=O)N MCULE-6679713144 [1,0,1,0,0,0|0,0,1]=3 954 B6R0.4 CNCCC(=O)O MCULE-3627988097 [1,0,1,0,0,0|1,0,1]=4 955 B6R0.4 CNCCC(=O)O MCULE-9858204248 [1,0,1,0,0,0|1,0,1]=4 956 B6R0.4 CO/C=C/C(=O)C MCULE-1215649803 [1,0,1,0,0,0|2,0,0]=4 957 B6R0.4 COC=CC(=O)C MCULE-4868833764 [1,0,1,0,0,0|2,0,0]=4 958 B6R0.4 COCCC(=O)N MCULE-7556483675 [1,0,1,0,0,0|1,0,1]=4 959 B6R0.4 COCNC(=O)N MCULE-8367032240 [1,0,1,0,0,0|1,0,1]=4 960 B6R0.4 CSCCC(=O)N MCULE-7105035733 [1,0,1,0,0,0|1,0,1]=4 961 B6R0.4 N#CCNC(=O)N MCULE-9927791118 [1,0,1,0,0,0|1,0,1]=4 962 B6R0.4 N/N=C/NC(=O)N MCULE-6272806279 [1,0,1,0,0,0|2,0,0]=4 963 B6R0.4 N/N=C/NC(=O)N MCULE-7518775080 [1,0,1,0,0,0|2,0,0]=4 964 B6R0.4 N=C(N)NCCO MCULE-5114367892 [1,0,1,0,0,0|1,0,1]=4 965 B6R0.4 N=C(N)NCCO MCULE-6389092248 [1,0,1,0,0,0|1,0,1]=4 966 B6R0.4 N=C(N)NCCS MCULE-1108122235 [1,0,1,0,0,0|1,1,0]=4 967 B6R0.4 N=C(N)NCCS MCULE-1842583721 [1,0,1,0,0,0|1,1,0]=4 968 B6R0.4 N=C(N)NCCS MCULE-4497722042 [1,0,1,0,0,0|1,1,0]=4 969 B6R0.4 N=C(N)NCCS MCULE-6123443321 [1,0,1,0,0,0|1,1,0]=4 970 B6R0.4 NC(=O)CCCCl MCULE-2774705212 [1,0,1,0,0,0|1,0,1]=4 971 B6R0.4 NC(=O)CCCO MCULE-3779341561 [1,0,1,0,0,0|0,0,2]=4 972 B6R0.4 NC(=O)NCCCl MCULE-6117142945 [1,0,1,0,0,0|1,0,0]=3 973 B6R0.4 NC(=O)NCCF MCULE-9526714989 [1,0,1,0,0,0|1,0,0]=3 974 B6R0.4 NC(=O)NCCO MCULE-2353513655 [1,0,1,0,0,0|0,0,1]=3 975 B6R0.4 NC(=O)OCCCl MCULE-4259077420 [1,0,1,0,0,0|2,0,0]=4 976 B6R0.4 NC(=O)OCCO MCULE-7565460845 [1,0,1,0,0,0|1,0,1]=4 977 B6R0.4 NC(=S)NCCO MCULE-9343742573 [1,0,1,0,0,0|0,1,1]=4 978 B6R0.4 NC(=S)NNC=O MCULE-5309261345 [1,0,1,0,0,0|1,1,0]=4 979 B6R0.4 NCCCC(=O)N MCULE-8039142092 [1,0,1,0,0,0|1,0,1]=4 980 B6R0.4 NCCCC(=O)N MCULE-8262250872 [1,0,1,0,0,0|1,0,1]=4 981 B6R0.4 NCCNC(=O)N MCULE-1197396950 [1,0,1,0,0,0|1,0,0]=3 982 B6R0.4 NCCNC(=O)N MCULE-2171700183 [1,0,1,0,0,0|1,0,0]=3 983 B6R0.4 NCCNC(=O)N MCULE-3799764813 [1,0,1,0,0,0|1,0,0]=3 984 B6R0.4 NCCNC(=S)N MCULE-7473616024 [1,0,1,0,0,0|1,1,0]=4 985 B6R0.4 NCCNC(=S)N MCULE-7947010145 [1,0,1,0,0,0|1,1,0]=4 986 B6R0.4 NCCOC(=O)N MCULE-4144808257 [1,0,1,0,0,0|2,0,0]=4 987 B6R0.4 NCCOC(=O)N MCULE-5815053840 [1,0,1,0,0,0|2,0,0]=4 988 B6R0.4 O=CCCC(=O)O MCULE-7183864722 [1,0,1,0,0,0|1,0,0]=3 989 B6R0.4 O=CCCN(=O)=O MCULE-3692892497 [1,0,1,0,0,0|2,0,0]=4 990 B6R0.4 O=CNCC(=O)O MCULE-3251128290 [1,0,1,0,0,0|1,0,0]=3 991 B6R0.6 C=CC=CCCN MCULE-8129949310 [1,0,1,0,0,0|2,0,0]=4 992 B6R0.6 C=CCCCC=O MCULE-8676840281 [1,0,1,0,0,0|2,0,0]=4 993 B6R0.6 CC/C=C\CC=O MCULE-1715953159 [1,0,1,0,0,0|2,0,0]=4 994 B6R0.6 CCC/C=C/C=O MCULE-3059768922 [1,0,1,0,0,0|2,0,0]=4 995 B6R0.6 CCC=CCC=O MCULE-5764198290 [1,0,1,0,0,0|2,0,0]=4 996 B6R0.6 CCCC=CC=O MCULE-5273169296 [1,0,1,0,0,0|2,0,0]=4 997 B6R0.6 CCCCNC=O MCULE-8821792924 [1,0,1,0,0,0|1,0,1]=4 998 B6R0.6 COCCNC=O MCULE-9003279073 [1,0,1,0,0,0|2,0,0]=4 999 B6R0.6 NCCCNC=O MCULE-9651299205 [1,0,1,0,0,0|0,0,1]=3 1000 B6R0.6 O=CCCCC=O MCULE-6802048757 [1,0,1,0,0,0|1,0,0]=3 1001 B6R0.6 O=CNCCCO MCULE-7926485528 [1,0,1,0,0,0|0,0,2]=4 1002 B6R0.6 O=CNCNC=O MCULE-3123960034 [1,0,1,0,0,0|1,0,0]=3 1003 B6R1.1 C1=CCCC=C1 MCULE-9111393952 [2,0,0,0,0,0|2,0,0]=4 1004 B6R1.1 C1=CCNCC1 MCULE-4850984502 [2,0,0,0,0,0|1,0,1]=4 1005 B6R1.1 C1=CCNCC1 MCULE-9744767398 [2,0,0,0,0,0|1,0,1]=4 1006 B6R1.1 C1=NCCCN1 MCULE-8199642953 [2,0,0,0,0,0|0,0,2]=4 1007 B8R0.2 CCC(=O)C(C)C(=O)O MCULE-9192813670 [0,1,1,0,0,0|2,0,0]=4 1008 B8R0.2 CNC(=O)C(Cl)C(=O)C MCULE-7816149596 [0,1,1,0,0,0|1,0,0]=3 1009 B8R0.2 COC(=O)C(Br)C(=O)C MCULE-4571030586 [0,1,1,0,0,0|2,0,0]=4 1010 B8R0.2 COC(=O)C(C)C(=O)C MCULE-7473005493 [0,1,1,0,0,0|2,0,0]=4 1011 B8R0.2 COC(=O)C(C)C(=O)N MCULE-7480268767 [0,1,1,0,0,0|2,0,0]=4 1012 B8R0.2 COC(=O)C(Cl)C(=O)C MCULE-8703201551 [0,1,1,0,0,0|2,0,0]=4 1013 B8R0.2 COC(=O)C(N)C(=O)C MCULE-6003738013 [0,1,1,0,0,0|2,0,0]=4 1014 B8R0.2 COC(=O)C(N)C(=O)C MCULE-6286319401 [0,1,1,0,0,0|2,0,0]=4 1015 B8R0.5 CCCC(=O)CC(=O)C MCULE-1126963023 [0,1,1,0,0,0|2,0,0]=4 1016 B8R0.5 CCCC(=O)CC(=O)O MCULE-8977313826 [0,1,1,0,0,0|2,0,0]=4 1017 B8R0.5 CCNC(=CC(=O)C)C MCULE-8804688598 [0,1,1,0,0,0|2,0,0]=4 1018 B8R0.5 CCNC(=N)NC(=N)N MCULE-4957267166 [0,1,1,0,0,0|2,0,0]=4 1019 B8R0.5 CCNC(=N)NC(=N)N MCULE-6522282435 [0,1,1,0,0,0|2,0,0]=4 1020 B8R0.5 CCNC(=O)CC(=O)O MCULE-6073095545 [0,1,1,0,0,0|2,0,0]=4 1021 B8R0.5 CCOC(=O)/C=C(/C)\N MCULE-2741839757 [0,1,1,0,0,0|2,0,0]=4 1022 B8R0.5 CCOC(=O)/C=C(\C)/N MCULE-2531351299 [0,1,1,0,0,0|2,0,0]=4 1023 B8R0.5 CCOC(=O)C=C(C)N MCULE-5559390637 [0,1,1,0,0,0|2,0,0]=4 1024 B8R0.5 CCOC(=O)CC(=N)N MCULE-2205626178 [0,1,1,0,0,0|2,0,0]=4 1025 B8R0.5 CCOC(=O)CC(=N)N MCULE-7102889149 [0,1,1,0,0,0|2,0,0]=4 1026 B8R0.5 CCOC(=O)CC(=O)C MCULE-8615117086 [0,1,1,0,0,0|2,0,0]=4 1027 B8R0.5 CCOC(=O)CC(=O)Cl MCULE-2946486230 [0,1,1,0,0,0|2,0,0]=4 1028 B8R0.5 CCOC(=O)CC(=O)N MCULE-7799038725 [0,1,1,0,0,0|1,0,0]=3 1029 B8R0.5 CCOC(=O)CC(=O)O MCULE-9495505919 [0,1,1,0,0,0|2,0,0]=4 1030 B8R0.5 CCOC(=O)CC(=O)[O-] MCULE-6229774103 [0,1,1,0,0,0|2,0,0]=4 1031 B8R0.5 CCOC(=O)CC(=S)N MCULE-8264583697 [0,1,1,0,0,0|1,1,0]=4 1032 B8R0.5 CCOC(=O)NC(=O)C MCULE-8711109897 [0,1,1,0,0,0|1,0,0]=3 1033 B8R0.5 CCOC(=O)NC(=O)N MCULE-7086796426 [0,1,1,0,0,0|0,0,0]=2 1034 B8R0.5 CCSC(=N)NC(=N)N MCULE-1773772994 [0,1,1,0,0,0|2,0,0]=4 1035 B8R0.5 CCSC(=N)NC(=N)N MCULE-9288651744 [0,1,1,0,0,0|2,0,0]=4 1036 B8R0.5 CNCC(=O)NC(C)C MCULE-3564656726 [0,1,1,0,0,0|1,0,1]=4 1037 B8R0.5 CNCC(=O)NC(C)C MCULE-7083002433 [0,1,1,0,0,0|1,0,1]=4 1038 B8R0.5 COCC(=O)CC(=O)C MCULE-8600900987 [0,1,1,0,0,0|2,0,0]=4 1039 B8R0.5 COCC(C)NC(=O)N MCULE-1001849810 [0,1,1,0,0,0|1,0,1]=4 1040 B8R0.5 N#CCC(=O)NC(=O)N MCULE-2207170284 [0,1,1,0,0,0|0,0,1]=3 1041 B8R0.5 NC(=O)NC(=O)CCCl MCULE-5654195703 [0,1,1,0,0,0|0,0,0]=2 1042 B8R0.19 C=CC(=O)NC(=O)NC MCULE-7491775676 [0,1,1,0,0,0|0,0,1]=3 1043 B8R0.19 CCC(=O)CC(=O)CC MCULE-9368471361 [0,1,1,0,0,0|2,0,0]=4 1044 B8R0.19 CCC(=O)CC(=O)OC MCULE-1605349915 [0,1,1,0,0,0|2,0,0]=4 1045 B8R0.19 CCC(=O)OC(=O)CC MCULE-4790806387 [0,1,1,0,0,0|2,0,0]=4 1046 B8R0.19 CCC(C)NC(=O)CN MCULE-2235248545 [0,1,1,0,0,0|1,0,1]=4 1047 B8R0.19 CCC(C)NC(=O)CN MCULE-5232759952 [0,1,1,0,0,0|1,0,1]=4 1048 B8R0.19 CN/C(=C/C(=O)OC)/C MCULE-6748104823 [0,1,1,0,0,0|2,0,0]=4 1049 B8R0.19 CN/C(=C\C(=O)OC)/C MCULE-6583518879 [0,1,1,0,0,0|2,0,0]=4 1050 B8R0.19 CNC(=CC(=O)OC)C MCULE-1607524183 [0,1,1,0,0,0|2,0,0]=4 1051 B8R0.19 CNC(=N)NC(=N)NC MCULE-7483671708 [0,1,1,0,0,0|2,0,0]=4 1052 B8R0.19 CNC(=N)NC(=N)NC MCULE-8173222296 [0,1,1,0,0,0|2,0,0]=4 1053 B8R0.19 CNC(=O)CC(=O)NC MCULE-9228601964 [0,1,1,0,0,0|1,0,0]=3 1054 B8R0.19 CNC(=O)NC(=O)CCl MCULE-3193763796 [0,1,1,0,0,0|0,0,0]=2 1055 B8R0.19 COC(=O)C=C(C)C=O MCULE-8776671343 [0,1,1,0,0,0|2,0,0]=4 1056 B8R0.19 COC(=O)CC(=O)CCl MCULE-1683633113 [0,1,1,0,0,0|2,0,0]=4 1057 B8R0.19 COC(=O)CC(=O)OC MCULE-1727448163 [0,1,1,0,0,0|2,0,0]=4 1058 B8R0.19 COC(=O)NC(=O)CCl MCULE-6558463162 [0,1,1,0,0,0|1,0,0]=3 1059 B8R0.19 COC(=O)OC(=O)OC MCULE-4144943626 [0,1,1,0,0,0|2,0,0]=4 1060 B8R0.23 C/C(=C/C(=O)C(C)O)/N MCULE-2780359890 [0,1,1,0,0,0|2,0,0]=4 1061 B8R0.23 CC(=O)/C=C(\C)/N(C)C MCULE-5858591753 [0,1,1,0,0,0|2,0,0]=4 1062 B8R0.23 CC(=O)C=C(C)N(C)C MCULE-6217682800 [0,1,1,0,0,0|2,0,0]=4 1063 B8R0.23 CC(=O)CC(=O)C(C)C MCULE-9885161576 [0,1,1,0,0,0|2,0,0]=4 1064 B8R0.23 CC(=O)CC(=O)N(C)C MCULE-7573334456 [0,1,1,0,0,0|1,0,0]=3 1065 B8R0.23 CC(=O)NC(=O)C(=O)N MCULE-2486343722 [0,1,1,0,0,0|2,0,0]=4 1066 B8R0.23 CC(C)C(=CC(=O)N)N MCULE-8136000309 [0,1,1,0,0,0|2,0,0]=4 1067 B8R0.23 CC(C)C(=O)CC(=O)O MCULE-9781100715 [0,1,1,0,0,0|2,0,0]=4 1068 B8R0.23 CC(C)C(=O)CC(=O)[O-] MCULE-3398588107 [0,1,1,0,0,0|2,0,0]=4 1069 B8R0.23 CC(C)C(=O)NC(=O)N MCULE-6394527783 [0,1,1,0,0,0|0,0,0]=2 1070 B8R0.23 CC(C)C(=O)NC(=S)N MCULE-1170470683 [0,1,1,0,0,0|0,1,0]=3 1071 B8R0.23 CC(Cl)C(=O)NC(=O)N MCULE-9978866053 [0,1,1,0,0,0|0,0,0]=2 1072 B8R0.23 CN(C)C(=O)CC(=O)N MCULE-1957054841 [0,1,1,0,0,0|2,0,0]=4 1073 B8R0.23 CN(C)C(=O)CC(=O)O MCULE-6715213324 [0,1,1,0,0,0|2,0,0]=4 1074 B8R0.23 CN(C)C(=O)NC(=N)N MCULE-5672673513 [0,1,1,0,0,0|2,0,0]=4 1075 B8R0.24 CNC(=O)CS(=O)(=O)C MCULE-7688916364 [0,1,1,0,0,0|2,0,0]=4 1076 B8R0.34 CCS(=O)(=O)NC(=N)N MCULE-3015940926 [0,1,1,0,0,0|2,0,0]=4 1077 B8R0.34 CNS(=O)(=O)CC(=O)C MCULE-2601057443 [0,1,1,0,0,0|2,0,0]=4 1078 B8R0.6 C=CCCOC(=O)CN MCULE-8632791952 [0,1,1,0,0,0|2,0,0]=4 1079 B8R0.6 CCCCNC(=O)CN MCULE-2730890796 [0,1,1,0,0,0|1,0,1]=4 1080 B8R0.6 CCCCNC(=O)CN MCULE-8794795131 [0,1,1,0,0,0|1,0,1]=4 1081 B8R0.6 CCCCNC(=O)NC MCULE-7920588549 [0,1,1,0,0,0|1,0,1]=4 1082 B8R0.6 CCCCNC(=O)NN MCULE-2049505984 [0,1,1,0,0,0|1,0,1]=4 1083 B8R0.6 CCNCCC(=O)NC MCULE-8230774906 [0,1,1,0,0,0|1,0,1]=4 1084 B8R0.6 CCNCCC(=O)NC MCULE-9131674592 [0,1,1,0,0,0|1,0,1]=4 1085 B8R0.6 CCNCCC(=O)NN MCULE-8224878393 [0,1,1,0,0,0|1,0,1]=4 1086 B8R0.6 CNC(=O)NCCCO MCULE-3093590717 [0,1,1,0,0,0|0,0,2]=4 1087 B8R0.6 CNCCNC(=O)NC MCULE-2973659795 [0,1,1,0,0,0|2,0,0]=4 1088 B8R0.6 COC(=O)CCCC=O MCULE-2183669341 [0,1,1,0,0,0|2,0,0]=4 1089 B8R0.6 COC(=O)CCNC=O MCULE-2214149264 [0,1,1,0,0,0|1,0,0]=3 1090 B8R0.6 COCCNC(=O)CN MCULE-6007531067 [0,1,1,0,0,0|2,0,0]=4 1091 B8R0.6 COCCNC(=O)CN MCULE-6629249444 [0,1,1,0,0,0|2,0,0]=4 1092 B8R0.6 COCCNC(=O)NN MCULE-8505538693 [0,1,1,0,0,0|2,0,0]=4 1093 B8R0.6 NCC(=O)NCCCO MCULE-3346996357 [0,1,1,0,0,0|0,0,2]=4 1094 B8R0.6 NCC(=O)NCCCO MCULE-5088922472 [0,1,1,0,0,0|0,0,2]=4 1095 B8R0.7 C=CCCNCC(=O)O MCULE-7775351645 [0,1,1,0,0,0|2,0,0]=4 1096 B8R0.7 C=CCNCCC(=O)N MCULE-4087711448 [0,1,1,0,0,0|1,0,0]=3 1097 B8R0.7 CC(=O)CCCOC=O MCULE-7473574321 [0,1,1,0,0,0|2,0,0]=4 1098 B8R0.7 CCCCCNC(=O)N MCULE-3139270247 [0,1,1,0,0,0|1,0,1]=4 1099 B8R0.7 CCCCNCC(=O)N MCULE-1276341431 [0,1,1,0,0,0|1,0,1]=4 1100 B8R0.7 CCCCNCC(=O)N MCULE-6579402071 [0,1,1,0,0,0|1,0,1]=4 1101 B8R0.7 CCCNCCC(=O)N MCULE-2654608736 [0,1,1,0,0,0|1,0,1]=4 1102 B8R0.7 CCCNCCC(=O)N MCULE-2683588523 [0,1,1,0,0,0|1,0,1]=4 1103 B8R0.7 CCOCCNC(=O)N MCULE-7568793312 [0,1,1,0,0,0|1,0,1]=4 1104 B8R0.7 COCCCNC(=O)N MCULE-4038737956 [0,1,1,0,0,0|0,0,2]=4 1105 B8R0.7 COCCNCC(=O)N MCULE-2300508230 [0,1,1,0,0,0|2,0,0]=4 1106 B8R0.7 COCCNCC(=O)N MCULE-7059174365 [0,1,1,0,0,0|2,0,0]=4 1107 B8R0.7 NC(=O)CCNCCS MCULE-4682566242 [0,1,1,0,0,0|0,1,1]=4 1108 B8R0.7 NCCCCNC(=O)N MCULE-6339634491 [0,1,1,0,0,0|1,0,1]=4 1109 B8R0.7 NCCCCNC(=O)N MCULE-8210849027 [0,1,1,0,0,0|1,0,1]=4 1110 B8R0.7 O=CCCCCC(=O)O MCULE-8762346998 [0,1,1,0,0,0|2,0,0]=4 1111 B8R0.7 O=CNCCCC(=O)O MCULE-9120755173 [0,1,1,0,0,0|1,0,0]=3 1112 B8R0.8 C=CCCC(C)C(=O)N MCULE-4187602833 [0,1,1,0,0,0|2,0,0]=4 1113 B8R0.8 C=CCCC(N)C(=O)N MCULE-3025865201 [0,1,1,0,0,0|2,0,0]=4 1114 B8R0.8 C=CCCC(N)C(=O)N MCULE-6477490851 [0,1,1,0,0,0|2,0,0]=4 1115 B8R0.9 CC(=O)CCN(C)N=O MCULE-9992314796 [0,1,1,0,0,0|2,0,0]=4 1116 B8R0.28 CC(=O)CCCC(=O)C MCULE-9250637004 [0,1,1,0,0,0|2,0,0]=4 1117 B8R0.28 CC(=O)CCCC(=O)N MCULE-8753142022 [0,1,1,0,0,0|1,0,0]=3 1118 B8R0.28 CC(=O)CCCC(=O)O MCULE-2498129200 [0,1,1,0,0,0|2,0,0]=4 1119 B8R0.28 CC(=O)CCOC(=O)C MCULE-5123903575 [0,1,1,0,0,0|2,0,0]=4 1120 B8R0.28 CC(=O)NCCC(=O)N MCULE-6090839432 [0,1,1,0,0,0|0,0,0]=2 1121 B8R0.28 CC(=O)NCCC(=O)O MCULE-8867286578 [0,1,1,0,0,0|1,0,0]=3 1122 B8R0.28 CC(=O)NCCS(=O)C MCULE-1283027669 [0,1,1,0,0,0|2,0,0]=4 1123 B8R0.28 CC(=O)NCNC(=O)C MCULE-3469911833 [0,1,1,0,0,0|2,0,0]=4 1124 B8R0.28 CC(=O)OCCC(=O)O MCULE-6617841906 [0,1,1,0,0,0|2,0,0]=4 1125 B8R0.28 CC(=O)SCCC(=O)Cl MCULE-7772328654 [0,1,1,0,0,0|2,0,0]=4 1126 B8R0.28 CC(=O)SCCC(=O)O MCULE-2263963171 [0,1,1,0,0,0|2,0,0]=4 1127 B8R0.28 CC(C)CCNC(=O)N MCULE-7857218878 [0,1,1,0,0,0|1,0,1]=4 1128 B8R0.28 CC(C)NCCC(=O)N MCULE-4812986605 [0,1,1,0,0,0|1,0,1]=4 1129 B8R0.28 CN(C)CCNC(=O)N MCULE-5420989663 [0,1,1,0,0,0|2,0,0]=4 1130 B8R0.28 CN(C)CCNC(=O)N MCULE-6784836791 [0,1,1,0,0,0|2,0,0]=4 1131 B8R0.28 N=C(N)NCCC(=O)O MCULE-6783592689 [0,1,1,0,0,0|1,0,0]=3 1132 B8R0.28 N=C(N)SCCC(=O)O MCULE-6820090813 [0,1,1,0,0,0|2,0,0]=4 1133 B8R0.28 N=C(N)SCCC(=O)O MCULE-9820250060 [0,1,1,0,0,0|2,0,0]=4 1134 B8R0.28 N=C(S)NCCC(=O)O MCULE-7149670288 [0,1,1,0,0,0|0,1,1]=4 1135 B8R0.28 NC(=O)CCCC(=O)N MCULE-8380308624 [0,1,1,0,0,0|1,0,0]=3 1136 B8R0.28 NC(=O)CCCC(=O)O MCULE-9714346244 [0,1,1,0,0,0|1,0,0]=3 1137 B8R0.28 NC(=O)CCCN(=O)=O MCULE-8220881093 [0,1,1,0,0,0|2,0,0]=4 1138 B8R0.28 NC(=O)CNCC(=O)N MCULE-7451569201 [0,1,1,0,0,0|2,0,0]=4 1139 B8R0.28 NC(=O)CNCC(=O)O MCULE-2816922286 [0,1,1,0,0,0|2,0,0]=4 1140 B8R0.28 NC(=O)COCC(=O)O MCULE-3868584388 [0,1,1,0,0,0|2,0,0]=4 1141 B8R0.28 NC(=O)CSCC(=O)N MCULE-1673116541 [0,1,1,0,0,0|2,0,0]=4 1142 B8R0.28 NC(=O)CSCC(=O)O MCULE-1419621262 [0,1,1,0,0,0|2,0,0]=4 1143 B8R0.28 NC(=O)NC=CC(=O)O MCULE-5004188805 [0,1,1,0,0,0|0,0,2]=4 1144 B8R0.28 NC(=O)NCCC(=O)O MCULE-3799706782 [0,1,1,0,0,0|0,0,0]=2 1145 B8R0.28 NC(=O)NCNC(=O)N MCULE-2324881355 [0,1,1,0,0,0|1,0,0]=3 1146 B8R0.28 NC(=O)NN=CC(=O)O MCULE-1954165276 [0,1,1,0,0,0|1,0,1]=4 1147 B8R0.28 NC(=S)SCCC(=O)O MCULE-1371836153 [0,1,1,0,0,0|1,1,0]=4 1148 B8R0.28 O=C(Cl)CCCC(=O)Cl MCULE-6157663188 [0,1,1,0,0,0|2,0,0]=4 1149 B8R0.28 O=C(O)CCCC(=O)O MCULE-4286022994 [0,1,1,0,0,0|2,0,0]=4 1150 B8R0.28 O=C([O-])CCCC(=O)[O-] MCULE-3809476672 [0,1,1,0,0,0|2,0,0]=4 1151 B8R0.28 [NH2+](CC(=O)N)CC(=O)N MCULE-7548046822 [0,1,1,0,0,0|2,0,0]=4 1152 B8R0.1 C=CCNC(=O)CCCl MCULE-6677973884 [0,1,1,0,0,0|2,0,0]=4 1153 B8R0.1 C=CCNC(=O)CCN MCULE-3047926848 [0,1,1,0,0,0|1,0,0]=3 1154 B8R0.1 C=CCNC(=O)CCN MCULE-3311649144 [0,1,1,0,0,0|1,0,0]=3 1155 B8R0.1 CCCNC(=O)CCN MCULE-9343291828 [0,1,1,0,0,0|1,0,1]=4 1156 B8R0.1 CCCNC(=O)CCN MCULE-9397624395 [0,1,1,0,0,0|1,0,1]=4 1157 B8R0.1 CCCNC(=O)NCC MCULE-5842395608 [0,1,1,0,0,0|1,0,1]=4 1158 B8R0.1 CCNC(=O)NCCN MCULE-2782056393 [0,1,1,0,0,0|1,0,1]=4 1159 B8R0.1 CCNC(=O)NCCN MCULE-3018091453 [0,1,1,0,0,0|1,0,1]=4 1160 B8R0.1 CCNC(=O)NCCO MCULE-1039035778 [0,1,1,0,0,0|0,0,2]=4 1161 B8R0.1 CCNC(=S)NNC=O MCULE-8861789073 [0,1,1,0,0,0|0,1,0]=3 1162 B8R0.1 CCNCC(=O)NCC MCULE-2852589977 [0,1,1,0,0,0|1,0,1]=4 1163 B8R0.1 CCOC(=O)/C=C/C=O MCULE-9219622537 [0,1,1,0,0,0|2,0,0]=4 1164 B8R0.1 CCOC(=O)C=CC=O MCULE-7165096046 [0,1,1,0,0,0|2,0,0]=4 1165 B8R0.1 CCOC(=O)CCC=O MCULE-2891201608 [0,1,1,0,0,0|2,0,0]=4 1166 B8R0.1 CCOC(=O)CNC=O MCULE-7904243111 [0,1,1,0,0,0|1,0,0]=3 1167 B8R0.1 NCCC(=O)NCCO MCULE-6631262210 [0,1,1,0,0,0|0,0,2]=4 1168 B8R0.1 NCCC(=O)NCCO MCULE-7004874938 [0,1,1,0,0,0|0,0,2]=4 1169 B8R0.1 NCCC(=O)NCCS MCULE-3035249090 [0,1,1,0,0,0|0,1,1]=4 1170 B8R0.1 O=C(NCO)NCCO MCULE-2347245416 [0,1,1,0,0,0|0,0,2]=4 1171 B8R0.3 CCOC(=O)C(C)C=O MCULE-9226849500 [0,1,1,0,0,0|2,0,0]=4 1172 B8R0.3 CCOC(=O)C(Cl)C=O MCULE-7751421571 [0,1,1,0,0,0|2,0,0]=4 1173 B8R0.3 CCOC(=O)C([Na])C=O MCULE-2917644984 [0,1,1,0,0,0|2,0,0]=4 1174 B8R0.3 CCOC(=O)N(C)N=O MCULE-4955058570 [0,1,1,0,0,0|2,0,0]=4 1175 B8R0.3 CCOC(=O)[C-](Cl)C=O MCULE-3360882583 [0,1,1,0,0,0|2,0,0]=4 1176 B8R0.3 CCOC(=O)[C-](Cl)C=O MCULE-7337267098 [0,1,1,0,0,0|2,0,0]=4 1177 B8R1.3 C1(CNC(=O)CN1)C MCULE-9891046463 [1,1,0,0,0,0|2,0,0]=4 1178 B8R1.3 CC1=CCC(=O)CC1 MCULE-5396065385 [1,1,0,0,0,0|2,0,0]=4 1179 B8R1.3 CC1=NNC(=O)CC1 MCULE-3548202908 [1,1,0,0,0,0|2,0,0]=4 1180 B8R1.3 CC1C=CC(=O)CC1 MCULE-6972928704 [1,1,0,0,0,0|2,0,0]=4 1181 B8R1.3 CC1CCC(=O)NC1 MCULE-1307751847 [1,1,0,0,0,0|1,0,1]=4 1182 B8R1.3 CC1CNC(=O)CN1 MCULE-2050820306 [1,1,0,0,0,0|2,0,0]=4 1183 B8R1.3 CC1CNC(=O)CN1 MCULE-9509469557 [1,1,0,0,0,0|2,0,0]=4 1184 B8R1.3 CC1CNC(=O)CO1 MCULE-6817757578 [1,1,0,0,0,0|2,0,0]=4 1185 B8R1.3 CN1CCC(=O)CC1 MCULE-3370577555 [1,1,0,0,0,0|1,0,1]=4 1186 B8R1.3 CN1CCC(=O)CC1 MCULE-5364011649 [1,1,0,0,0,0|1,0,1]=4 1187 B8R1.3 C[C@@H]1CNC(=O)CN1 MCULE-1088991552 [1,1,0,0,0,0|2,0,0]=4 1188 B8R1.3 C[C@@H]1CNC(=O)CN1 MCULE-1952714815 [1,1,0,0,0,0|2,0,0]=4 1189 B8R1.3 C[C@@H]1CNC(=O)CN1 MCULE-3350871833 [1,1,0,0,0,0|2,0,0]=4 1190 B8R1.3 C[C@@H]1CNC(=O)CN1 MCULE-9637742350 [1,1,0,0,0,0|2,0,0]=4 1191 B8R1.3 C[C@@H]1CNC(=O)CO1 MCULE-7192421297 [1,1,0,0,0,0|2,0,0]=4 1192 B8R1.3 C[C@@H]1CNC(=O)CO1 MCULE-7394512903 [1,1,0,0,0,0|2,0,0]=4 1193 B8R1.3 C[C@H]1CCC(=O)NC1 MCULE-5712112445 [1,1,0,0,0,0|1,0,1]=4 1194 B8R1.3 C[C@H]1CNC(=O)CN1 MCULE-3373819559 [1,1,0,0,0,0|2,0,0]=4 1195 B8R1.3 C[C@H]1CNC(=O)CN1 MCULE-4486681671 [1,1,0,0,0,0|2,0,0]=4 1196 B8R1.3 C[C@H]1CNC(=O)CN1 MCULE-7180229103 [1,1,0,0,0,0|2,0,0]=4 1197 B8R1.3 C[C@H]1CNC(=O)CN1 MCULE-9466864223 [1,1,0,0,0,0|2,0,0]=4 1198 B8R1.3 C[C@H]1CNC(=O)CO1 MCULE-6169535590 [1,1,0,0,0,0|2,0,0]=4 1199 B8R1.3 C[C@H]1CNC(=O)CO1 MCULE-8876635175 [1,1,0,0,0,0|2,0,0]=4 1200 B8R1.3 NC1CCC(=O)NC1 MCULE-2677675224 [1,1,0,0,0,0|1,0,1]=4 1201 B8R1.3 NC1CCC(=O)NC1 MCULE-8711968877 [1,1,0,0,0,0|1,0,1]=4 1202 B8R1.3 NC1CCC(=O)NC1 MCULE-8915391016 [1,1,0,0,0,0|1,0,1]=4 1203 B8R1.3 N[C@@H]1CCC(=O)NC1 MCULE-5372893548 [1,1,0,0,0,0|1,0,1]=4 1204 B8R1.3 N[C@@H]1CCC(=O)NC1 MCULE-6411408704 [1,1,0,0,0,0|1,0,1]=4 1205 B8R1.3 N[C@@H]1CCC(=O)NC1 MCULE-6771263407 [1,1,0,0,0,0|1,0,1]=4 1206 B8R1.3 N[C@@H]1CCC(=O)NC1 MCULE-9035818807 [1,1,0,0,0,0|1,0,1]=4 1207 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-1921494480 [1,1,0,0,0,0|1,0,1]=4 1208 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-4843708987 [1,1,0,0,0,0|1,0,1]=4 1209 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-6599794889 [1,1,0,0,0,0|1,0,1]=4 1210 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-7112568050 [1,1,0,0,0,0|1,0,1]=4 1211 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-9053885307 [1,1,0,0,0,0|1,0,1]=4 1212 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-9780118077 [1,1,0,0,0,0|1,0,1]=4 1213 B8R1.3 O=C1CCC(=O)NC1 MCULE-8297515560 [1,1,0,0,0,0|1,0,1]=4 1214 B8R1.3 O=C1CCC(=O)NN1 MCULE-3404255918 [1,1,0,0,0,0|2,0,0]=4 1215 B8R1.3 O=C1CCC(CN1)F MCULE-1848493447 [1,1,0,0,0,0|1,0,1]=4 1216 B8R1.3 O=C1CCC(CN1)O MCULE-4501886280 [1,1,0,0,0,0|1,0,1]=4 1217 B8R1.3 O=C1CC[C@@H](CN1)O MCULE-3426407148 [1,1,0,0,0,0|1,0,1]=4 1218 B8R1.3 O=C1CC[C@@H](CN1)O MCULE-9592320749 [1,1,0,0,0,0|1,0,1]=4 1219 B8R1.3 O=C1CC[C@H](CN1)O MCULE-1500705916 [1,1,0,0,0,0|1,0,1]=4 1220 B8R1.3 O=C1CC[C@H](CN1)O MCULE-9578240246 [1,1,0,0,0,0|1,0,1]=4 1221 B8R1.3 O=C1NCC(CN1)O MCULE-7019603243 [1,1,0,0,0,0|0,0,1]=3 1222 B8R1.5 C=C1CCCNC1=O MCULE-1867993758 [1,1,0,0,0,0|1,0,1]=4 1223 B8R1.5 CC1=CCCCC1=O MCULE-6245248136 [1,1,0,0,0,0|2,0,0]=4 1224 B8R1.5 CC1CCCNC1=O MCULE-5295531632 [1,1,0,0,0,0|1,0,1]=4 1225 B8R1.5 CC1CNCCC1=O MCULE-6306655160 [1,1,0,0,0,0|1,0,1]=4 1226 B8R1.5 CC1CNCCC1=O MCULE-9018912988 [1,1,0,0,0,0|1,0,1]=4 1227 B8R1.5 CC1NCCNC1=O MCULE-3078767867 [1,1,0,0,0,0|2,0,0]=4 1228 B8R1.5 CC1NCCNC1=O MCULE-9884862705 [1,1,0,0,0,0|2,0,0]=4 1229 B8R1.5 CC1OCCNC1=O MCULE-8812176499 [1,1,0,0,0,0|2,0,0]=4 1230 B8R1.5 CC1SCCNC1=O MCULE-1825894745 [1,1,0,0,0,0|2,0,0]=4 1231 B8R1.5 CN1CCCCC1=O MCULE-9619129797 [1,1,0,0,0,0|1,0,1]=4 1232 B8R1.5 CN1CCCNC1=O MCULE-3141639397 [1,1,0,0,0,0|0,0,1]=3 1233 B8R1.5 CN1CCCNC1=S MCULE-2262321761 [1,1,0,0,0,0|0,1,1]=4 1234 B8R1.5 CN1CCNCC1=O MCULE-4783963074 [1,1,0,0,0,0|2,0,0]=4 1235 B8R1.5 CN1CCNCC1=O MCULE-7251084542 [1,1,0,0,0,0|2,0,0]=4 1236 B8R1.5 CN1CCNCC1=O MCULE-9201460493 [1,1,0,0,0,0|2,0,0]=4 1237 B8R1.5 CN1CCNCC1=O MCULE-9789420240 [1,1,0,0,0,0|2,0,0]=4 1238 B8R1.5 CN1CCOCC1=O MCULE-8864378597 [1,1,0,0,0,0|2,0,0]=4 1239 B8R1.5 C[C@@H]1NCCNC1=O MCULE-1719923601 [1,1,0,0,0,0|2,0,0]=4 1240 B8R1.5 C[C@@H]1NCCNC1=O MCULE-3211216058 [1,1,0,0,0,0|2,0,0]=4 1241 B8R1.5 C[C@@H]1NCCNC1=O MCULE-4268624973 [1,1,0,0,0,0|2,0,0]=4 1242 B8R1.5 C[C@H]1CNCCC1=O MCULE-8062269317 [1,1,0,0,0,0|1,0,1]=4 1243 B8R1.5 C[C@H]1CNCCC1=O MCULE-9510433313 [1,1,0,0,0,0|1,0,1]=4 1244 B8R1.5 C[C@H]1NCCNC1=O MCULE-1350777729 [1,1,0,0,0,0|2,0,0]=4 1245 B8R1.5 C[C@H]1NCCNC1=O MCULE-3433713206 [1,1,0,0,0,0|2,0,0]=4 1246 B8R1.5 C[C@H]1NCCNC1=O MCULE-6014092524 [1,1,0,0,0,0|2,0,0]=4 1247 B8R1.5 NC1CCCNC1=O MCULE-2560564171 [1,1,0,0,0,0|1,0,1]=4 1248 B8R1.5 NC1CCCNC1=O MCULE-4494449620 [1,1,0,0,0,0|1,0,1]=4 1249 B8R1.5 NC1CCCNC1=O MCULE-7473475906 [1,1,0,0,0,0|1,0,1]=4 1250 B8R1.5 NC1CCCNC1=O MCULE-8288645102 [1,1,0,0,0,0|1,0,1]=4 1251 B8R1.5 NN1CCCCC1=O MCULE-3663308028 [1,1,0,0,0,0|1,0,1]=4 1252 B8R1.5 NN1CCCCC1=O MCULE-9929233745 [1,1,0,0,0,0|1,0,1]=4 1253 B8R1.5 NN1CCCNC1=O MCULE-1690172508 [1,1,0,0,0,0|0,0,1]=3 1254 B8R1.5 NN1CCCOC1=O MCULE-6942418314 [1,1,0,0,0,0|1,0,1]=4 1255 B8R1.5 N[C@@H]1CCCNC1=O MCULE-2058435105 [1,1,0,0,0,0|1,0,1]=4 1256 B8R1.5 N[C@@H]1CCCNC1=O MCULE-2444659445 [1,1,0,0,0,0|1,0,1]=4 1257 B8R1.5 N[C@@H]1CCCNC1=O MCULE-3005560472 [1,1,0,0,0,0|1,0,1]=4 1258 B8R1.5 N[C@@H]1CCCNC1=O MCULE-6935410876 [1,1,0,0,0,0|1,0,1]=4 1259 B8R1.5 N[C@H]1CCCNC1=O MCULE-1247931890 [1,1,0,0,0,0|1,0,1]=4 1260 B8R1.5 N[C@H]1CCCNC1=O MCULE-2425510086 [1,1,0,0,0,0|1,0,1]=4 1261 B8R1.5 N[C@H]1CCCNC1=O MCULE-6121950966 [1,1,0,0,0,0|1,0,1]=4 1262 B8R1.5 N[C@H]1CCCNC1=O MCULE-7701042199 [1,1,0,0,0,0|1,0,1]=4 1263 B8R1.5 O=C1CCCC=C1Br MCULE-3661382076 [1,1,0,0,0,0|2,0,0]=4 1264 B8R1.5 O=C1CCCC=C1I MCULE-5006563152 [1,1,0,0,0,0|2,0,0]=4 1265 B8R1.5 O=C1CCCNC1=O MCULE-3369124759 [1,1,0,0,0,0|1,0,1]=4 1266 B8R1.5 O=C1CCNCC1Br MCULE-1607524353 [1,1,0,0,0,0|1,0,1]=4 1267 B8R1.5 O=C1CCNCC1Br MCULE-2623420651 [1,1,0,0,0,0|1,0,1]=4 1268 B8R1.5 O=C1CCNCC1Br MCULE-9921456309 [1,1,0,0,0,0|1,0,1]=4 1269 B8R1.5 O=C1CCNCC1F MCULE-4156323292 [1,1,0,0,0,0|1,0,1]=4 1270 B8R1.5 O=C1CCNCC1F MCULE-5488977269 [1,1,0,0,0,0|1,0,1]=4 1271 B8R1.5 O=C1CCNC[C@@H]1F MCULE-1703177711 [1,1,0,0,0,0|1,0,1]=4 1272 B8R1.5 O=C1CCNC[C@@H]1F MCULE-2722101377 [1,1,0,0,0,0|1,0,1]=4 1273 B8R1.5 O=C1CCNC[C@@H]1F MCULE-3843083136 [1,1,0,0,0,0|1,0,1]=4 1274 B8R1.5 O=C1CCNC[C@@H]1F MCULE-8423259867 [1,1,0,0,0,0|1,0,1]=4 1275 B8R1.5 O=C1CCNC[C@H]1F MCULE-4893691455 [1,1,0,0,0,0|1,0,1]=4 1276 B8R1.5 O=C1CCNC[C@H]1F MCULE-7014608979 [1,1,0,0,0,0|1,0,1]=4 1277 B8R1.5 O=C1NCCC=C1Br MCULE-7421402456 [1,1,0,0,0,0|1,0,0]=3 1278 B8R1.5 O=C1NCCC=C1Cl MCULE-9026882449 [1,1,0,0,0,0|1,0,0]=3 1279 B8R1.5 O=C1NCCCC1Br MCULE-1860833784 [1,1,0,0,0,0|1,0,1]=4 1280 B8R1.5 O=C1NCCCC1O MCULE-4922755542 [1,1,0,0,0,0|1,0,1]=4 1281 B8R1.5 O=C1NCCC[C@@H]1O MCULE-2813817931 [1,1,0,0,0,0|1,0,1]=4 1282 B8R1.5 O=C1NCCC[C@@H]1O MCULE-3354550946 [1,1,0,0,0,0|1,0,1]=4 1283 B8R1.5 O=C1NCCC[C@H]1O MCULE-2892218765 [1,1,0,0,0,0|1,0,1]=4 1284 B8R1.5 O=C1NCCC[C@H]1O MCULE-8394704933 [1,1,0,0,0,0|1,0,1]=4 1285 B8R1.5 O=C1NCCNC1=O MCULE-5492631108 [1,1,0,0,0,0|2,0,0]=4 1286 B8R1.5 O=C1NCCOC1=O MCULE-5092732656 [1,1,0,0,0,0|2,0,0]=4 1287 B8R1.5 O=C1OCCC=C1Br MCULE-6619697801 [1,1,0,0,0,0|2,0,0]=4 1288 B8R1.72 O=S1(=O)CCNCN1 MCULE-8434732517 [1,1,0,0,0,0|1,0,1]=4 1289 B8R1.72 O=S1(=O)NCCCN1 MCULE-7962279459 [1,1,0,0,0,0|1,0,1]=4 1290 B8R1.1 C1(CCC(=O)N1)CBr MCULE-4451864575 [0,1,0,0,1,0|1,0,1]=4 1291 B8R1.1 C1(CCC(=O)N1)CN MCULE-3169700074 [0,1,0,0,1,0|1,0,1]=4 1292 B8R1.1 C1(CCC(=O)N1)CO MCULE-8513534447 [0,1,0,0,1,0|0,0,2]=4 1293 B8R1.1 C=CC1CCC(=O)N1 MCULE-7994900822 [0,1,0,0,1,0|1,0,1]=4 1294 B8R1.1 CCC1=CC(=O)CC1 MCULE-6681801286 [0,1,0,0,1,0|2,0,0]=4 1295 B8R1.1 CCC1CCC(=O)N1 MCULE-6150249637 [0,1,0,0,1,0|1,0,1]=4 1296 B8R1.1 COC1=CC(=O)CC1 MCULE-7963656232 [0,1,0,0,1,0|1,0,1]=4 1297 B8R1.1 COC1=CC(=O)NC1 MCULE-1983848021 [0,1,0,0,1,0|1,0,1]=4 1298 B8R1.1 COC1CCC(=O)N1 MCULE-9661875090 [0,1,0,0,1,0|0,0,2]=4 1299 B8R1.1 CSC1=NC(=O)CN1 MCULE-2550909457 [0,1,0,0,1,0|0,1,1]=4 1300 B8R1.1 NCC1=CNC(=O)N1 MCULE-3321939925 [0,1,0,0,1,0|1,0,1]=4 1301 B8R1.1 NCC1=CNC(=O)N1 MCULE-3888589701 [0,1,0,0,1,0|1,0,1]=4 1302 B8R1.1 NCC1CCC(=O)N1 MCULE-2195138544 [0,1,0,0,1,0|1,0,1]=4 1303 B8R1.1 NCC1CCC(=O)N1 MCULE-5064964559 [0,1,0,0,1,0|1,0,1]=4 1304 B8R1.1 NCC1CCC(=O)N1 MCULE-9686422256 [0,1,0,0,1,0|1,0,1]=4 1305 B8R1.1 NCC1CCC(=O)N1 MCULE-9973113927 [0,1,0,0,1,0|1,0,1]=4 1306 B8R1.1 NC[C@@H]1CCC(=O)N1 MCULE-5772277021 [0,1,0,0,1,0|1,0,1]=4 1307 B8R1.1 NC[C@@H]1CCC(=O)N1 MCULE-6147061481 [0,1,0,0,1,0|1,0,1]=4 1308 B8R1.1 NC[C@@H]1CCC(=O)N1 MCULE-7644508115 [0,1,0,0,1,0|1,0,1]=4 1309 B8R1.1 NC[C@@H]1CCC(=O)N1 MCULE-7782108755 [0,1,0,0,1,0|1,0,1]=4 1310 B8R1.1 NC[C@H]1CCC(=O)N1 MCULE-1485902199 [0,1,0,0,1,0|1,0,1]=4 1311 B8R1.1 NC[C@H]1CCC(=O)N1 MCULE-1751255260 [0,1,0,0,1,0|1,0,1]=4 1312 B8R1.1 NC[C@H]1CCC(=O)N1 MCULE-3641870628 [0,1,0,0,1,0|1,0,1]=4 1313 B8R1.1 NC[C@H]1CCC(=O)N1 MCULE-9839264859 [0,1,0,0,1,0|1,0,1]=4 1314 B8R1.1 NNC1=NCC(=O)N1 MCULE-1430423645 [0,1,0,0,1,0|1,0,1]=4 1315 B8R1.1 NNC1=NCC(=O)N1 MCULE-5220093727 [0,1,0,0,1,0|1,0,1]=4 1316 B8R1.1 O=C1CCC(N1)CBr MCULE-7024022934 [0,1,0,0,1,0|1,0,1]=4 1317 B8R1.1 O=C1CCC(N1)CI MCULE-6956070937 [0,1,0,0,1,0|1,0,1]=4 1318 B8R1.1 O=C1CCC(N1)CO MCULE-1498000761 [0,1,0,0,1,0|0,0,2]=4 1319 B8R1.1 O=C1CC[C@@H](N1)CBr MCULE-4537645558 [0,1,0,0,1,0|1,0,1]=4 1320 B8R1.1 O=C1CC[C@@H](N1)CBr MCULE-6830001458 [0,1,0,0,1,0|1,0,1]=4 1321 B8R1.1 O=C1CC[C@@H](N1)CO MCULE-3021506643 [0,1,0,0,1,0|0,0,2]=4 1322 B8R1.1 O=C1CC[C@@H](N1)CO MCULE-3659077476 [0,1,0,0,1,0|0,0,2]=4 1323 B8R1.1 O=C1CC[C@H](N1)CBr MCULE-1684731751 [0,1,0,0,1,0|1,0,1]=4 1324 B8R1.1 O=C1CC[C@H](N1)CBr MCULE-4479348379 [0,1,0,0,1,0|1,0,1]=4 1325 B8R1.1 O=C1CC[C@H](N1)CO MCULE-4532009930 [0,1,0,0,1,0|0,0,2]=4 1326 B8R1.1 O=C1CC[C@H](N1)CO MCULE-6466848372 [0,1,0,0,1,0|0,0,2]=4 1327 B8R1.1 O=C1CS/C(=N/O)/N1 MCULE-9299576383 [0,1,0,0,1,0|1,0,1]=4 1328 B8R1.1 O=C1NN=C(N1)CCl MCULE-2655378083 [0,1,0,0,1,0|2,0,0]=4 1329 B8R1.1 O=C1NN=C(N1)CS MCULE-7569672257 [0,1,0,0,1,0|1,1,0]=4 1330 B8R1.1 O=CC1=CNC(=O)N1 MCULE-9682504518 [0,1,0,0,1,0|0,0,1]=3 1331 B8R1.18 C=C1CC(=O)OC1=O MCULE-1819893564 [0,1,0,0,1,0|1,0,1]=4 1332 B8R1.18 CC1=C(NC(=O)N1)C MCULE-1459949338 [0,1,0,0,1,0|1,0,1]=4 1333 B8R1.18 CC1=CC(=O)CC1C MCULE-9587444246 [0,1,0,0,1,0|2,0,0]=4 1334 B8R1.18 CC1=CC(=O)NC1=O MCULE-3109096484 [0,1,0,0,1,0|0,0,2]=4 1335 B8R1.18 CC1=CN(C(=O)N1)C MCULE-6864157223 [0,1,0,0,1,0|1,0,1]=4 1336 B8R1.18 CC1CC(=O)NC1=O MCULE-2962850802 [0,1,0,0,1,0|0,0,0]=2 1337 B8R1.18 CC1CC(=O)OC1=O MCULE-6043315810 [0,1,0,0,1,0|1,0,0]=3 1338 B8R1.18 CC1NC(=O)CC1=O MCULE-3973500509 [0,1,0,0,1,0|1,0,0]=3 1339 B8R1.18 CC1NC(=O)CC1O MCULE-6370955032 [0,1,0,0,1,0|1,0,1]=4 1340 B8R1.18 CC1NC(=O)NC1=O MCULE-4619149186 [0,1,0,0,1,0|0,0,0]=2 1341 B8R1.18 CC1NC(=O)OC1=O MCULE-5437194910 [0,1,0,0,1,0|1,0,0]=3 1342 B8R1.18 CC1NC(=O)OC1=O MCULE-6711218397 [0,1,0,0,1,0|1,0,0]=3 1343 B8R1.18 CC1NC(=S)NC1=O MCULE-8518769044 [0,1,0,0,1,0|0,1,0]=3 1344 B8R1.18 CC1OC(=O)NC1=O MCULE-8191598152 [0,1,0,0,1,0|1,0,0]=3 1345 B8R1.18 CC1SC(=O)NC1=O MCULE-9249450232 [0,1,0,0,1,0|1,0,0]=3 1346 B8R1.18 CN1CC(=O)CC1=O MCULE-9941627549 [0,1,0,0,1,0|1,0,0]=3 1347 B8R1.18 CN1CC(=O)N=C1N MCULE-2231869894 [0,1,0,0,1,0|1,0,1]=4 1348 B8R1.18 CN1CC(=O)NC1=N MCULE-7608108871 [0,1,0,0,1,0|1,0,0]=3 1349 B8R1.18 CN1CC(=O)NC1=N MCULE-8832153777 [0,1,0,0,1,0|1,0,0]=3 1350 B8R1.18 CN1CC(=O)NC1=O MCULE-6246850639 [0,1,0,0,1,0|0,0,0]=2 1351 B8R1.18 CN1CC(=O)NC1=S MCULE-6474760923 [0,1,0,0,1,0|0,1,0]=3 1352 B8R1.18 CN1CC(=O)OC1=O MCULE-7537862268 [0,1,0,0,1,0|1,0,0]=3 1353 B8R1.18 CN1N=C(NC1=O)Cl MCULE-4149690737 [0,1,0,0,1,0|2,0,0]=4 1354 B8R1.18 C[C@@H]1CC(=O)NC1=O MCULE-9043552998 [0,1,0,0,1,0|0,0,0]=2 1355 B8R1.18 C[C@@H]1NC(=O)C[C@@H]1O MCULE-5647492108 [0,1,0,0,1,0|1,0,1]=4 1356 B8R1.18 C[C@@H]1NC(=O)NC1=O MCULE-1126054848 [0,1,0,0,1,0|0,0,0]=2 1357 B8R1.18 C[C@@H]1NC(=O)OC1=O MCULE-3338806314 [0,1,0,0,1,0|1,0,0]=3 1358 B8R1.18 C[C@@H]1NC(=O)OC1=O MCULE-9892061668 [0,1,0,0,1,0|1,0,0]=3 1359 B8R1.18 C[C@H]1CC(=O)OC1=O MCULE-7764909201 [0,1,0,0,1,0|1,0,0]=3 1360 B8R1.18 C[C@H]1NC(=O)NC1=O MCULE-5443325319 [0,1,0,0,1,0|0,0,0]=2 1361 B8R1.18 C[C@H]1NC(=O)OC1=O MCULE-2658468572 [0,1,0,0,1,0|1,0,0]=3 1362 B8R1.18 C[C@H]1NC(=O)OC1=O MCULE-9205776561 [0,1,0,0,1,0|1,0,0]=3 1363 B8R1.18 NC1CC(=O)NC1=O MCULE-6692452440 [0,1,0,0,1,0|0,0,0]=2 1364 B8R1.18 NC1CC(=O)NC1=O MCULE-8447671567 [0,1,0,0,1,0|0,0,0]=2 1365 B8R1.18 NC1CC(=O)OC1=O MCULE-1406790351 [0,1,0,0,1,0|1,0,0]=3 1366 B8R1.18 NC1CC(=O)OC1=O MCULE-2807590870 [0,1,0,0,1,0|1,0,0]=3 1367 B8R1.18 NC1SC(=O)NC1=O MCULE-8460816262 [0,1,0,0,1,0|1,0,0]=3 1368 B8R1.18 NN1CC(=O)NC1=O MCULE-6319474334 [0,1,0,0,1,0|0,0,0]=2 1369 B8R1.18 NN1CC(=O)NC1=O MCULE-7370713803 [0,1,0,0,1,0|0,0,0]=2 1370 B8R1.18 N[C@@H]1CC(=O)NC1=O MCULE-1292090753 [0,1,0,0,1,0|0,0,0]=2 1371 B8R1.18 N[C@@H]1CC(=O)NC1=O MCULE-9676397018 [0,1,0,0,1,0|0,0,0]=2 1372 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-1937927503 [0,1,0,0,1,0|1,0,0]=3 1373 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-2080587685 [0,1,0,0,1,0|1,0,0]=3 1374 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-8793349665 [0,1,0,0,1,0|1,0,0]=3 1375 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-9640337170 [0,1,0,0,1,0|1,0,0]=3 1376 B8R1.18 N[C@H]1CC(=O)NC1=O MCULE-1052396743 [0,1,0,0,1,0|0,0,0]=2 1377 B8R1.18 N[C@H]1CC(=O)NC1=O MCULE-1965803095 [0,1,0,0,1,0|0,0,0]=2 1378 B8R1.18 N[C@H]1CC(=O)OC1=O MCULE-3191926438 [0,1,0,0,1,0|1,0,0]=3 1379 B8R1.18 N[C@H]1CC(=O)OC1=O MCULE-4503342222 [0,1,0,0,1,0|1,0,0]=3 1380 B8R1.18 O=C1C=C(C(=O)N1)Br MCULE-6173415556 [0,1,0,0,1,0|0,0,2]=4 1381 B8R1.18 O=C1C=C(C(N1)O)Br MCULE-4783191833 [0,1,0,0,1,0|2,0,0]=4 1382 B8R1.18 O=C1NC(=O)C(=O)N1 MCULE-1683872231 [0,1,0,0,1,0|0,0,1]=3 1383 B8R1.18 O=C1NC(=O)C(N1)Br MCULE-9177153028 [0,1,0,0,1,0|0,0,0]=2 1384 B8R1.18 O=C1NC(=O)C(S1)Br MCULE-7635505691 [0,1,0,0,1,0|1,0,0]=3 1385 B8R1.18 O=C1NC(C(N1)O)O MCULE-4925329931 [0,1,0,0,1,0|0,0,2]=4 1386 B8R1.50 CC1=C(C(=O)CC1)Br MCULE-4093496442 [0,1,0,0,1,0|2,0,0]=4 1387 B8R1.50 CC1=C(C(=O)CC1)C MCULE-6370073595 [0,1,0,0,1,0|2,0,0]=4 1388 B8R1.50 CC1=C(C(=O)CC1)O MCULE-2968247012 [0,1,0,0,1,0|2,0,0]=4 1389 B8R1.50 CC1=C(C(=O)CC1)O MCULE-9147894168 [0,1,0,0,1,0|2,0,0]=4 1390 B8R1.50 CC1=C(C(=O)NC1)C MCULE-4444366984 [0,1,0,0,1,0|2,0,0]=4 1391 B8R1.50 CC1=C(CCC1=O)O MCULE-6367252690 [0,1,0,0,1,0|1,0,1]=4 1392 B8R1.50 CC1=NNC(=O)N1C MCULE-7430385178 [0,1,0,0,1,0|2,0,0]=4 1393 B8R1.50 CC1C(=O)CCC1=O MCULE-4418458735 [0,1,0,0,1,0|1,0,0]=3 1394 B8R1.50 CC1C(=O)COC1=O MCULE-4188541096 [0,1,0,0,1,0|2,0,0]=4 1395 B8R1.50 CC1CCC(=O)N1C MCULE-7405072604 [0,1,0,0,1,0|1,0,1]=4 1396 B8R1.50 CN1C(=O)C=CC1=O MCULE-2337038549 [0,1,0,0,1,0|0,0,2]=4 1397 B8R1.50 CN1C(=O)CCC1=O MCULE-6726005566 [0,1,0,0,1,0|0,0,0]=2 1398 B8R1.50 CN1C(=O)CCC1O MCULE-1070053575 [0,1,0,0,1,0|0,0,2]=4 1399 B8R1.50 CN1C(=O)CNC1=O MCULE-8997643894 [0,1,0,0,1,0|0,0,0]=2 1400 B8R1.50 CN1C(=O)CNC1=S MCULE-6633485185 [0,1,0,0,1,0|0,1,0]=3 1401 B8R1.50 CN1C(=O)COC1=O MCULE-1190604947 [0,1,0,0,1,0|1,0,0]=3 1402 B8R1.50 CN1C(=O)CSC1=O MCULE-8837313577 [0,1,0,0,1,0|1,0,0]=3 1403 B8R1.50 CN1C(=O)CSC1=S MCULE-8742608574 [0,1,0,0,1,0|1,1,0]=4 1404 B8R1.50 CN1C(=O)N=NC1=O MCULE-3120186978 [0,1,0,0,1,0|1,0,1]=4 1405 B8R1.50 CN1C(=O)NN=C1S MCULE-4115576499 [0,1,0,0,1,0|1,1,0]=4 1406 B8R1.50 CN1C(=O)NNC1=O MCULE-9990504316 [0,1,0,0,1,0|1,0,0]=3 1407 B8R1.50 NN1C(=O)CCC1=O MCULE-4432056181 [0,1,0,0,1,0|0,0,0]=2 1408 B8R1.50 NN1C(=O)CCC1=O MCULE-8224510852 [0,1,0,0,1,0|0,0,0]=2 1409 B8R1.50 NN1C(=O)CNC1=O MCULE-3172416594 [0,1,0,0,1,0|0,0,0]=2 1410 B8R1.50 NN1C(=O)CSC1=S MCULE-7853752310 [0,1,0,0,1,0|1,1,0]=4 1411 B8R1.50 NN1C(=O)NNC1=O MCULE-6234762498 [0,1,0,0,1,0|1,0,0]=3 1412 B8R1.50 O=C1C=CC(=O)N1Cl MCULE-3334700253 [0,1,0,0,1,0|0,0,2]=4 1413 B8R1.50 O=C1C=CC(=O)N1O MCULE-9775072223 [0,1,0,0,1,0|0,0,2]=4 1414 B8R1.50 O=C1CCC(=C1F)O MCULE-4719137849 [0,1,0,0,1,0|1,0,1]=4 1415 B8R1.50 O=C1CCC(=O)C1Br MCULE-7463233898 [0,1,0,0,1,0|1,0,0]=3 1416 B8R1.50 O=C1CCC(=O)C1Cl MCULE-9440848782 [0,1,0,0,1,0|1,0,0]=3 1417 B8R1.50 O=C1CCC(=O)N1Br MCULE-6561724377 [0,1,0,0,1,0|0,0,0]=2 1418 B8R1.50 O=C1CCC(=O)N1Cl MCULE-3093539402 [0,1,0,0,1,0|0,0,0]=2 1419 B8R1.50 O=C1CCC(=O)N1I MCULE-8261967194 [0,1,0,0,1,0|0,0,0]=2 1420 B8R1.50 O=C1CCC(=O)N1O MCULE-5478278340 [0,1,0,0,1,0|0,0,0]=2 1421 B8R1.50 O=C1COC(=O)C1Br MCULE-7458581655 [0,1,0,0,1,0|2,0,0]=4 1422 B8R1.50 O=C1COC(=O)C1Cl MCULE-1326411169 [0,1,0,0,1,0|2,0,0]=4 1423 B8R1.51 CC1(CCC(=O)N1)C MCULE-2538104334 [0,1,0,0,1,0|1,0,1]=4 1424 B8R1.51 CC1(CNC(=O)N1)C MCULE-2885809296 [0,1,0,0,1,0|1,0,1]=4 1425 B8R1.51 CC1(NCC(=O)N1)C MCULE-4375597060 [0,1,0,0,1,0|1,0,1]=4 1426 B8R1.51 CP1(=O)CCC(=O)O1 MCULE-3689691243 [0,1,0,0,1,0|2,0,0]=4 1427 B8R1.51 O=C1CCS(=O)(=O)C1 MCULE-8153139552 [0,1,0,0,1,0|2,0,0]=4 1428 B8R1.51 O=C1CCS(=O)(=O)N1 MCULE-4505524753 [0,1,0,0,1,0|1,0,0]=3 1429 B8R1.51 O=C1CCS(=O)(=O)O1 MCULE-1696670151 [0,1,0,0,1,0|2,0,0]=4 1430 B8R1.11 CCC1CCNC1=O MCULE-8307536027 [0,1,0,0,1,0|1,0,1]=4 1431 B8R1.11 CCN1CCNC1=O MCULE-8168665695 [0,1,0,0,1,0|2,0,0]=4 1432 B8R1.11 CNC1CCNC1=O MCULE-1302732570 [0,1,0,0,1,0|1,0,1]=4 1433 B8R1.11 CNC1CCNC1=O MCULE-7065523709 [0,1,0,0,1,0|1,0,1]=4 1434 B8R1.11 COC1=CCCC1=O MCULE-2849263860 [0,1,0,0,1,0|1,0,1]=4 1435 B8R1.11 O=C1CCC=C1CO MCULE-5949194155 [0,1,0,0,1,0|1,0,1]=4 1436 B8R1.11 O=C1NCCC1CO MCULE-8442279545 [0,1,0,0,1,0|0,0,2]=4 1437 B8R1.11 O=C1NCC[C@@H]1CO MCULE-5339343040 [0,1,0,0,1,0|0,0,2]=4 1438 B8R1.11 O=C1OCCC1=NO MCULE-1241579763 [0,1,0,0,1,0|1,0,1]=4 1439 B8R1.11 O=CC1=C(CCC1)Cl MCULE-2468041387 [0,1,0,0,1,0|2,0,0]=4 1440 B8R1.11 O=CC1CCOC1=O MCULE-6358043470 [0,1,0,0,1,0|1,0,1]=4 1441 B8R1.11 O=CN1CCCC1=O MCULE-1097328464 [0,1,0,0,1,0|2,0,0]=4 1442 B8R1.19 CC1(CCNC1=O)C MCULE-6714447777 [0,1,0,0,1,0|1,0,1]=4 1443 B8R1.19 CC1(CCNC1=O)C MCULE-7206545498 [0,1,0,0,1,0|1,0,1]=4 1444 B8R1.19 CC1(CCNC1=O)N MCULE-2999548291 [0,1,0,0,1,0|1,0,1]=4 1445 B8R1.19 CC1(CCNC1=O)O MCULE-2802989638 [0,1,0,0,1,0|0,0,2]=4 1446 B8R1.19 CC1(NCCC1=O)C MCULE-1973849102 [0,1,0,0,1,0|1,0,1]=4 1447 B8R1.19 CC1(NCCC1=O)C MCULE-6763568764 [0,1,0,0,1,0|1,0,1]=4 1448 B8R1.19 O=C1NCCC1(F)F MCULE-6135502988 [0,1,0,0,1,0|1,0,1]=4 1449 B10R1.330 CC1CNC(=O)CC(=O)C1 MCULE-4466752945 [0,1,0,0,0,1|1,0,0]=3 1450 B10R1.330 O=C1CNC(=O)NC(=O)C1 MCULE-7213965794 [0,1,0,0,0,1|0,0,0]=2 1451 B10R1.302 O=C1CCS(=O)(=O)CCN1 MCULE-1815119791 [0,1,0,0,0,1|2,0,0]=4 1452 B10R1.332 CN1CCC(=O)CCC1=O MCULE-5398192848 [0,1,0,0,0,1|1,0,0]=3 1453 B10R1.2 CN1C(=O)NCCC1CN MCULE-3590580692 [0,2,0,0,0,0|1,0,1]=4 1454 B10R1.8 C=CC1=CC(=O)NC(=O)N1 MCULE-7194319105 [0,2,0,0,0,0|0,0,2]=4 1455 B10R1.8 CCC1=CC(=O)NC(=O)N1 MCULE-1656089601 [0,2,0,0,0,0|0,0,2]=4 1456 B10R1.8 CCC1CC(=O)NC(=O)C1 MCULE-5960815996 [0,2,0,0,0,0|1,0,0]=3 1457 B10R1.8 CNC1=CC(=O)NC(=O)N1 MCULE-5972679940 [0,2,0,0,0,0|0,0,2]=4 1458 B10R1.8 COC1=CC(=O)NC(=O)N1 MCULE-5375145256 [0,2,0,0,0,0|0,0,2]=4 1459 B10R1.8 NCC1=CC(=O)NC(=O)N1 MCULE-3879084303 [0,2,0,0,0,0|0,0,2]=4 1460 B10R1.8 NCC1=CC(=O)NC(=O)N1 MCULE-8158860012 [0,2,0,0,0,0|0,0,2]=4 1461 B10R1.8 NNC1=CC(=O)NC(=O)N1 MCULE-1469229530 [0,2,0,0,0,0|0,0,2]=4 1462 B10R1.8 O=C1C/C(=N\O)/NC(=O)N1 MCULE-3947010417 [0,2,0,0,0,0|0,0,1]=3 1463 B10R1.8 O=C1C=C(NC(=O)N1)CBr MCULE-1615723991 [0,2,0,0,0,0|0,0,2]=4 1464 B10R1.8 O=C1C=C(NC(=O)N1)CCl MCULE-8212962530 [0,2,0,0,0,0|0,0,2]=4 1465 B10R1.8 O=C1C=C(NC(=O)N1)CO MCULE-5458955186 [0,2,0,0,0,0|0,0,2]=4 1466 B10R1.8 O=C1CC(=O)CC(C1)CO MCULE-2890708656 [0,2,0,0,0,0|2,0,0]=4 1467 B10R1.8 O=CC1=CC(=O)NC(=O)N1 MCULE-5989318185 [0,2,0,0,0,0|0,0,2]=4 1468 B10R1.8 O=CN1CC(=O)NC(=O)C1 MCULE-4664574956 [0,2,0,0,0,0|2,0,0]=4 1469 B10R1.10 O=NC=C1C=CNC(=O)N1 MCULE-9712012004 [0,2,0,0,0,0|0,0,2]=4 1470 B10R1.113 CC(=O)C1CCNC(=O)C1 MCULE-9774471516 [0,2,0,0,0,0|1,0,1]=4 1471 B10R1.113 CC(=O)N1CCNC(=O)C1 MCULE-6224939697 [0,2,0,0,0,0|2,0,0]=4 1472 B10R1.113 O=C1C=C(CCC1)C(=O)O MCULE-6477437107 [0,2,0,0,0,0|2,0,0]=4 1473 B10R1.113 O=C1CC(CCN1)C(=O)O MCULE-8037650535 [0,2,0,0,0,0|1,0,1]=4 1474 B10R1.113 O=C1CCCC(N1)C(=O)O MCULE-9444010827 [0,2,0,0,0,0|1,0,1]=4 1475 B10R1.113 O=C1CCCC(N1)C(=O)O MCULE-9607599809 [0,2,0,0,0,0|1,0,1]=4 1476 B10R1.113 O=C1CCC[C@@H](N1)C(=O)O MCULE-3091454903 [0,2,0,0,0,0|1,0,1]=4 1477 B10R1.113 O=C1CCC[C@@H](N1)C(=O)O MCULE-5853502175 [0,2,0,0,0,0|1,0,1]=4 1478 B10R1.113 O=C1CCC[C@H](N1)C(=O)O MCULE-6509598163 [0,2,0,0,0,0|1,0,1]=4 1479 B10R1.113 O=C1CCC[C@H](N1)C(=O)O MCULE-7646943695 [0,2,0,0,0,0|1,0,1]=4 1480 B10R1.113 O=C1CCNC(C1)C(=O)O MCULE-6916176336 [0,2,0,0,0,0|1,0,1]=4 1481 B10R1.113 O=C1CCNC(C1)C(=O)O MCULE-9262761817 [0,2,0,0,0,0|1,0,1]=4 1482 B10R1.113 O=C1CCN[C@@H](C1)C(=O)O MCULE-1115212106 [0,2,0,0,0,0|1,0,1]=4 1483 B10R1.113 O=C1CCN[C@@H](C1)C(=O)O MCULE-5896394571 [0,2,0,0,0,0|1,0,1]=4 1484 B10R1.113 O=C1CCN[C@@H](C1)C(=O)O MCULE-5937606037 [0,2,0,0,0,0|1,0,1]=4 1485 B10R1.113 O=C1CCN[C@@H](C1)C(=O)O MCULE-7073629862 [0,2,0,0,0,0|1,0,1]=4 1486 B10R1.113 O=C1C[C@@H](CCN1)C(=O)O MCULE-5205458306 [0,2,0,0,0,0|1,0,1]=4 1487 B10R1.113 O=C1C[C@H](CCN1)C(=O)O MCULE-6254957663 [0,2,0,0,0,0|1,0,1]=4 1488 B10R1.113 O=C1C[C@H](CCN1)C(=O)O MCULE-9670666580 [0,2,0,0,0,0|1,0,1]=4 1489 B10R1.113 O=C1NC(CCO1)C(=O)O MCULE-4281750243 [0,2,0,0,0,0|1,0,1]=4 1490 B10R1.113 O=C1NCCC(N1)C(=O)O MCULE-6196729766 [0,2,0,0,0,0|0,0,1]=3 1491 B10R1.113 O=C1NCCC(O1)C(=O)O MCULE-1272116406 [0,2,0,0,0,0|1,0,1]=4 1492 B10R1.113 O=C1N[C@@H](CCO1)C(=O)O MCULE-7121690603 [0,2,0,0,0,0|1,0,1]=4 1493 B10R1.22 CC1=C(C(=O)NC(=O)N1)Br MCULE-9555073495 [0,2,0,0,0,0|0,0,2]=4 1494 B10R1.22 CC1=C(C(=O)NC(=O)N1)Cl MCULE-3888854401 [0,2,0,0,0,0|0,0,2]=4 1495 B10R1.22 CC1=C(C(=O)NC(=O)N1)I MCULE-2631615338 [0,2,0,0,0,0|0,0,2]=4 1496 B10R1.22 CC1=C(C(=O)NC(=O)N1)N MCULE-1788753048 [0,2,0,0,0,0|0,0,2]=4 1497 B10R1.22 CC1=C(C(=O)NC(=O)N1)O MCULE-7766529114 [0,2,0,0,0,0|0,0,2]=4 1498 B10R1.22 CC1=C(NC(=O)NC1=O)Cl MCULE-9699231079 [0,2,0,0,0,0|0,0,2]=4 1499 B10R1.22 CC1=C(NC(=O)NC1=O)N MCULE-3180991385 [0,2,0,0,0,0|0,0,2]=4 1500 B10R1.22 CC1=CC(=O)N(C(=O)C1)N MCULE-9753429937 [0,2,0,0,0,0|1,0,1]=4 1501 B10R1.22 CC1=CC(=O)N(C(=O)N1)C MCULE-3688752925 [0,2,0,0,0,0|0,0,2]=4 1502 B10R1.22 CC1=CC(=O)NC(=O)N1C MCULE-4776814426 [0,2,0,0,0,0|0,0,2]=4 1503 B10R1.22 CC1C(=O)NC(=O)N=C1Cl MCULE-6395247321 [0,2,0,0,0,0|0,0,2]=4 1504 B10R1.22 CC1C(=O)NC(=O)NC1=O MCULE-7961229332 [0,2,0,0,0,0|0,0,1]=3 1505 B10R1.22 CN1C(=O)C=C(NC1=O)Cl MCULE-6595286325 [0,2,0,0,0,0|0,0,2]=4 1506 B10R1.22 CN1C(=O)C=C(NC1=O)N MCULE-3869126153 [0,2,0,0,0,0|0,0,2]=4 1507 B10R1.22 CN1C(=O)C=C(NC1=O)O MCULE-8037018718 [0,2,0,0,0,0|0,0,2]=4 1508 B10R1.22 CN1C(=O)CC(=O)NC1=O MCULE-7478193411 [0,2,0,0,0,0|0,0,1]=3 1509 B10R1.22 CN1C(=O)CC(=O)NC1=S MCULE-8355052023 [0,2,0,0,0,0|0,1,1]=4 1510 B10R1.22 CN1C(=O)N=C(NC1=O)S MCULE-6720161421 [0,2,0,0,0,0|1,0,1]=4 1511 B10R1.22 CN1C(=O)NC(=O)C=C1Cl MCULE-7825661987 [0,2,0,0,0,0|0,0,2]=4 1512 B10R1.22 CN1C(=O)NC(=O)C=C1N MCULE-3639154142 [0,2,0,0,0,0|0,0,2]=4 1513 B10R1.22 NC1=C(C(=O)NC(=O)N1)Br MCULE-8672880869 [0,2,0,0,0,0|0,0,2]=4 1514 B10R1.22 NC1=C(C(=O)NC(=O)N1)I MCULE-7637696964 [0,2,0,0,0,0|0,0,2]=4 1515 B10R1.22 NC1=C(C(=O)NC(=O)N1)N MCULE-4581359752 [0,2,0,0,0,0|0,0,2]=4 1516 B10R1.22 NC1C(=O)NC(=O)NC1=O MCULE-8127541765 [0,2,0,0,0,0|0,0,1]=3 1517 B10R1.22 NC1C(=O)NC(=O)NC1=S MCULE-6414499413 [0,2,0,0,0,0|0,0,1]=3 1518 B10R1.22 NC1NC(=O)NC(=O)C1I MCULE-7259635650 [0,2,0,0,0,0|0,0,0]=2 1519 B10R1.22 O=C1NC(=O)C(=C(N1)Cl)Br MCULE-3569046173 [0,2,0,0,0,0|0,0,2]=4 1520 B10R1.22 O=C1NC(=O)C(=C(N1)Cl)Cl MCULE-8068256823 [0,2,0,0,0,0|0,0,2]=4 1521 B10R1.22 O=C1NC(=O)C(=C(N1)Cl)I MCULE-4077077518 [0,2,0,0,0,0|0,0,2]=4 1522 B10R1.22 O=C1NC(=O)C(=O)C(=O)N1 MCULE-9690188027 [0,2,0,0,0,0|0,0,2]=4 1523 B10R1.22 O=C1NC(=O)C(C(=O)N1)Br MCULE-2631970050 [0,2,0,0,0,0|0,0,1]=3 1524 B10R1.22 O=C1NC(=O)C(C(N1)O)F MCULE-8372362265 [0,2,0,0,0,0|0,0,0]=2 1525 B10R1.114 CC1(C(=O)CCCC1=O)C MCULE-4343136214 [0,2,0,0,0,0|2,0,0]=4 1526 B10R1.114 O=C1CCCC(=O)C1(F)F MCULE-4898343546 [0,2,0,0,0,0|2,0,0]=4 1527 B10R1.119 CC1=CNC(=O)N(C1=O)C MCULE-4564406988 [0,2,0,0,0,0|0,0,2]=4 1528 B10R1.119 CC1=NNC(=O)N(C1=O)N MCULE-1706514027 [0,2,0,0,0,0|1,0,1]=4 1529 B10R1.119 CN1C(=O)CCC(C1=O)N MCULE-4040676144 [0,2,0,0,0,0|1,0,0]=3 1530 B10R1.119 CN1C(=O)CCC(C1=O)N MCULE-8025424109 [0,2,0,0,0,0|1,0,0]=3 1531 B10R1.119 CN1C=CC(=O)N(C1=O)C MCULE-4521148024 [0,2,0,0,0,0|0,0,2]=4 1532 B10R1.119 CN1CCC(=O)N(C1=O)C MCULE-1907113180 [0,2,0,0,0,0|0,0,0]=2 1533 B10R1.245 CCC1C(=O)CCCC1=O MCULE-2763743652 [0,2,0,0,0,0|2,0,0]=4 1534 B10R1.245 CCN1C(=O)CNCC1=O MCULE-4359668565 [0,2,0,0,0,0|2,0,0]=4 1535 B10R1.245 CCN1C(=O)CNCC1=O MCULE-7137901469 [0,2,0,0,0,0|2,0,0]=4 1536 B10R1.245 N#CC1C(=O)CCCC1=O MCULE-3717660972 [0,2,0,0,0,0|2,0,0]=4 1537 B10R1.245 N#CC1C(=O)CCNC1=O MCULE-5177321264 [0,2,0,0,0,0|1,0,0]=3 1538 B10R1.245 NC=C1C(=O)CCCC1=O MCULE-9251952276 [0,2,0,0,0,0|2,0,0]=4 1539 B10R1.245 NC=C1C(=O)CCOC1=O MCULE-5326001554 [0,2,0,0,0,0|2,0,0]=4 1540 B10R1.329 CC1(CC(=CC(=O)N1)N)C MCULE-5507056185 [0,2,0,0,0,0|2,0,0]=4 1541 B10R1.329 CC1(CC(=CC(=O)N1)O)C MCULE-4857414161 [0,2,0,0,0,0|1,0,1]=4 1542 B10R1.329 CC1(CC(=O)CC(=O)C1)C MCULE-7089250511 [0,2,0,0,0,0|2,0,0]=4 1543 B10R1.329 CC1(CC(=O)CC(=O)N1)C MCULE-2163827196 [0,2,0,0,0,0|1,0,0]=3 1544 B10R1.329 CC1(CC(=O)CC(=O)O1)C MCULE-1924006071 [0,2,0,0,0,0|2,0,0]=4 1545 B10R1.329 CC1(CC(=O)CC(=O)S1)C MCULE-3161141847 [0,2,0,0,0,0|2,0,0]=4 1546 B10R1.329 CC1(CC(=O)NC(=O)C1)C MCULE-3949417263 [0,2,0,0,0,0|1,0,0]=3 1547 B10R1.329 CC1(CC(=O)OC(=O)C1)C MCULE-1747312582 [0,2,0,0,0,0|2,0,0]=4 1548 B10R1.329 CC1(CC(=O)OC(=O)C1)O MCULE-5750197379 [0,2,0,0,0,0|2,0,0]=4 1549 B10R1.25 C=CC1=CNC(=O)NC1=O MCULE-6275433808 [0,2,0,0,0,0|0,0,2]=4 1550 B10R1.25 C=CN1C=CC(=O)NC1=O MCULE-2627357350 [0,2,0,0,0,0|0,0,2]=4 1551 B10R1.25 CC1=C(CCC(=O)N1)C#N MCULE-9160052950 [0,2,0,0,0,0|2,0,0]=4 1552 B10R1.25 CCC1=CNC(=O)NC1=O MCULE-1403338036 [0,2,0,0,0,0|0,0,2]=4 1553 B10R1.25 CCC1=NNC(=O)NC1=O MCULE-9997971509 [0,2,0,0,0,0|1,0,1]=4 1554 B10R1.25 CCC1CNC(=O)CC1=O MCULE-1470997152 [0,2,0,0,0,0|1,0,0]=3 1555 B10R1.25 CCN1C=CC(=O)NC1=O MCULE-5601838024 [0,2,0,0,0,0|0,0,2]=4 1556 B10R1.25 CCN1CCC(=O)CC1=O MCULE-6760700486 [0,2,0,0,0,0|1,0,0]=3 1557 B10R1.25 CCN1CCC(=O)NC1=O MCULE-4286048959 [0,2,0,0,0,0|0,0,0]=2 1558 B10R1.25 CNC1=CNC(=O)NC1=O MCULE-7197367879 [0,2,0,0,0,0|0,0,2]=4 1559 B10R1.25 CNC1=NNC(=O)NC1=O MCULE-1745121001 [0,2,0,0,0,0|1,0,1]=4 1560 B10R1.25 CNC1=NNC(=O)NC1=O MCULE-5399825497 [0,2,0,0,0,0|1,0,1]=4 1561 B10R1.25 CNC1CCC(=O)NC1=O MCULE-2479123541 [0,2,0,0,0,0|1,0,0]=3 1562 B10R1.25 CNC1CCC(=O)NC1=O MCULE-9198191101 [0,2,0,0,0,0|1,0,0]=3 1563 B10R1.25 CSC1=NNC(=O)NC1=O MCULE-9991928243 [0,2,0,0,0,0|1,0,1]=4 1564 B10R1.25 C[Se]C1=CNC(=O)NC1=O MCULE-7379851342 [0,2,0,0,0,0|0,0,2]=4 1565 B10R1.25 N#CC1=CNC(=O)NC1=O MCULE-9074750047 [0,2,0,0,0,0|0,0,2]=4 1566 B10R1.25 N#CC1CNC(=O)NC1=O MCULE-7857002172 [0,2,0,0,0,0|0,0,0]=2 1567 B10R1.25 NCC1=CNC(=O)NC1=O MCULE-3166341604 [0,2,0,0,0,0|0,0,2]=4 1568 B10R1.25 NCC1=CNC(=O)NC1=O MCULE-7365523007 [0,2,0,0,0,0|0,0,2]=4 1569 B10R1.25 NNC1=NNC(=O)NC1=O MCULE-1748748455 [0,2,0,0,0,0|1,0,1]=4 1570 B10R1.25 O=C1N=CC(C(=O)N1)CO MCULE-7685633888 [0,2,0,0,0,0|0,0,2]=4 1571 B10R1.25 O=C1NC=C(C(=O)N1)CCl MCULE-8124898362 [0,2,0,0,0,0|0,0,2]=4 1572 B10R1.25 O=C1NC=C(C(=O)N1)CO MCULE-2866555326 [0,2,0,0,0,0|0,0,2]=4 1573 B10R1.25 O=C1NC=C(C(=O)N1)CS MCULE-1412623155 [0,2,0,0,0,0|0,0,2]=4 1574 B10R1.25 O=C1NN=C(C(=O)N1)CCl MCULE-9818168516 [0,2,0,0,0,0|1,0,1]=4 1575 B10R1.63 CC1(CCC(=O)CC1=O)C MCULE-6286466892 [0,2,0,0,0,0|2,0,0]=4 1576 B10R1.63 CC1(CCC(=O)NC1=O)C MCULE-9593344857 [0,2,0,0,0,0|1,0,0]=3 1577 B10R1.63 CC1(CCC(=O)NC1=O)N MCULE-4541003412 [0,2,0,0,0,0|1,0,0]=3 1578 B10R1.63 CC1(CCC(=O)NC1=O)N MCULE-8292642254 [0,2,0,0,0,0|1,0,0]=3 1579 B10R1.63 CC1(CCC(=O)OC1=O)C MCULE-6269757190 [0,2,0,0,0,0|2,0,0]=4 1580 B10R1.63 CC1(CNC(=O)NC1=O)Br MCULE-5495395440 [0,2,0,0,0,0|0,0,0]=2 1581 B10R1.63 CC1(CNC(=O)NC1=O)C MCULE-3142901801 [0,2,0,0,0,0|0,0,0]=2 1582 B10R1.63 CC1(NNC(=S)NC1=O)C MCULE-2761927270 [0,2,0,0,0,0|1,1,0]=4 1583 B10R1.63 O=C1CCC(C(=O)O1)(F)F MCULE-7729346267 [0,2,0,0,0,0|2,0,0]=4 1584 B10R1.63 O=C1N=CC(C(=O)N1)(F)F MCULE-9287024406 [0,2,0,0,0,0|0,0,2]=4 1585 B10R1.118 CC1=CN(C(=O)NC1=O)C MCULE-2359700701 [0,2,0,0,0,0|0,0,2]=4 1586 B10R1.118 CC1=NN(C(=O)NC1=O)C MCULE-2065520759 [0,2,0,0,0,0|1,0,1]=4 1587 B10R1.118 CC1CC(C(=O)OC1=O)C MCULE-3189541422 [0,2,0,0,0,0|2,0,0]=4 1588 B10R1.118 CC1SC(C(=O)NC1=O)C MCULE-4587075953 [0,2,0,0,0,0|2,0,0]=4 1589 B10R1.118 CN1C=C(C(=O)NC1=O)Br MCULE-9797104008 [0,2,0,0,0,0|0,0,2]=4 1590 B10R1.118 CN1C=C(C(=O)NC1=O)F MCULE-3423067623 [0,2,0,0,0,0|0,0,2]=4 1591 B10R1.118 CN1C=C(C(=O)NC1=O)I MCULE-4446207931 [0,2,0,0,0,0|0,0,2]=4 1592 B10R1.118 CN1C=C(C(=O)NC1=O)N MCULE-1839355087 [0,2,0,0,0,0|0,0,2]=4 1593 B10R1.118 CN1CC(C(=O)NC1=O)Br MCULE-4213754102 [0,2,0,0,0,0|0,0,0]=2 1594 B10R1.118 C[C@H]1C[C@H](C(=O)OC1=O)C MCULE-1917070122 [0,2,0,0,0,0|2,0,0]=4 1595 B10R1.118 O=C1OC(=O)C(CC1Br)Br MCULE-3901175637 [0,2,0,0,0,0|2,0,0]=4 1596 B8R1.34 NC(=O)NC1CCC1 MCULE-4153424610 [0,0,1,1,0,0|1,0,1]=4 1597 B8R1.40 CNC(=O)NC1CC1 MCULE-7333117512 [0,0,1,1,0,0|1,0,1]=4 1598 B8R1.42 CC1(CC1)NC(=O)N MCULE-2689884910 [0,0,1,1,0,0|1,0,1]=4 1599 B8R1.7 C1(CCNC1)C(=O)N MCULE-4476688014 [0,0,1,1,0,0|1,0,1]=4 1600 B8R1.7 C1(CCNC1)C(=O)N MCULE-8592806332 [0,0,1,1,0,0|1,0,1]=4 1601 B8R1.7 NC(=O)C1CC=CC1 MCULE-5556484257 [0,0,1,1,0,0|2,0,0]=4 1602 B8R1.7 NC(=O)C1CCNC1 MCULE-6035608651 [0,0,1,1,0,0|1,0,1]=4 1603 B8R1.7 NC(=O)C1CCNC1 MCULE-8602888952 [0,0,1,1,0,0|1,0,1]=4 1604 B8R1.7 NC(=O)N1CCCC1 MCULE-2282948234 [0,0,1,1,0,0|1,0,1]=4 1605 B8R1.7 NC(=O)[C@@H]1CCNC1 MCULE-1320057579 [0,0,1,1,0,0|1,0,1]=4 1606 B8R1.7 NC(=O)[C@@H]1CCNC1 MCULE-1678228480 [0,0,1,1,0,0|1,0,1]=4 1607 B8R1.7 NC(=O)[C@@H]1CCNC1 MCULE-3340066069 [0,0,1,1,0,0|1,0,1]=4 1608 B8R1.7 NC(=O)[C@@H]1CCNC1 MCULE-8833406496 [0,0,1,1,0,0|1,0,1]=4 1609 B8R1.7 NC(=O)[C@H]1CCNC1 MCULE-1673594093 [0,0,1,1,0,0|1,0,1]=4 1610 B8R1.7 NC(=O)[C@H]1CCNC1 MCULE-6725123306 [0,0,1,1,0,0|1,0,1]=4 1611 B8R1.7 NC(=O)[C@H]1CCNC1 MCULE-7222756259 [0,0,1,1,0,0|1,0,1]=4 1612 B8R1.7 NC(=O)[C@H]1CCNC1 MCULE-8100234071 [0,0,1,1,0,0|1,0,1]=4 1613 B8R1.22 O=C1CCNCCN1 MCULE-1678306131 [0,0,1,1,0,0|1,0,1]=4 1614 B8R1.22 O=C1CCNCCN1 MCULE-1867860146 [0,0,1,1,0,0|1,0,1]=4 1615 B8R1.35 NC(=O)NCC1CC1 MCULE-9526171923 [0,0,1,1,0,0|1,0,1]=4 1616 B8R1.8 NCCC1=CC=CN1 MCULE-3690367329 [0,0,1,1,0,0|2,0,0]=4 1617 B8R1.8 NCCC1=CC=CN1 MCULE-4479516250 [0,0,1,1,0,0|2,0,0]=4 1618 B8R1.8 NCCC1=CC=CN1 MCULE-5929900944 [0,0,1,1,0,0|2,0,0]=4 1619 B8R1.8 NCCC1=NC=CN1 MCULE-5602742733 [0,0,1,1,0,0|2,0,0]=4 1620 B8R1.8 NCCC1=NC=CN1 MCULE-6004984354 [0,0,1,1,0,0|2,0,0]=4 1621 B8R1.8 NCCC1=NN=CN1 MCULE-4063446586 [0,0,1,1,0,0|2,0,0]=4 1622 B8R2.18 O=C1CC2CC2N1 MCULE-6301280583 [1,0,0,1,0,0|1,0,1]=4 1623 B8R2.38 O=C1NCC2C1C2 MCULE-5593114305 [1,0,0,1,0,0|1,0,1]=4 1624 B8R2.38 O=C1NC[C@H]2[C@@H]1C2 MCULE-6438081695 [1,0,0,1,0,0|1,0,1]=4 1625 B10R2.42 C12CCC1C(=O)NC2=O MCULE-1560579688 [0,0,0,1,0,1|1,0,0]=3 1626 B10R2.42 O=C1OC(=O)C2C1CC2 MCULE-9570381244 [0,0,0,1,0,1|2,0,0]=4 1627 B10R2.42 O=C1OC(=O)[C@H]2[C@@H]1CC2 MCULE-7330334348 [0,0,0,1,0,1|2,0,0]=4 1628 B10R2.42 [C@H]12CC[C@H]1C(=O)NC2=O MCULE-6925136341 [0,0,0,1,0,1|1,0,0]=3 1629 B10R2.61 O=C1NC2CCNC1C2 MCULE-4221823714 [0,0,0,1,0,1|1,0,1]=4 1630 B10R2.71 O=C1CN2CC[C@@H](C2)N1 MCULE-3819060585 [0,0,0,1,0,1|1,0,1]=4 1631 B10R2.296 C[C@]12C[C@H]1C(=O)NC2=O MCULE-7303203961 [0,1,0,1,0,0|1,0,0]=3 1632 B6R0.3 C=C(C)C(=O)NC MCULE-9515227181 [0,0,1,0,1,0|1,0,0]=3 1633 B6R0.3 C=C(C)C(=O)NN MCULE-5114453960 [0,0,1,0,1,0|2,0,0]=4 1634 B6R0.3 C=C(C)C(=O)OC MCULE-9286083206 [0,0,1,0,1,0|2,0,0]=4 1635 B6R0.3 C=C(CC)C(=O)O MCULE-7335567367 [0,0,1,0,1,0|2,0,0]=4 1636 B6R0.3 CC(=O)C(=O)CBr MCULE-8560925164 [0,0,1,0,1,0|2,0,0]=4 1637 B6R0.3 CC(=O)C(=O)CCl MCULE-2778551811 [0,0,1,0,1,0|2,0,0]=4 1638 B6R0.3 CC=C(C)C(=O)C MCULE-8950290711 [0,0,1,0,1,0|2,0,0]=4 1639 B6R0.3 CCC(=O)C(=O)C MCULE-3065014067 [0,0,1,0,1,0|1,0,0]=3 1640 B6R0.3 CCC(=O)C(=O)O MCULE-8360398438 [0,0,1,0,1,0|1,0,0]=3 1641 B6R0.3 CCC(=O)C(=O)[O-] MCULE-7571698792 [0,0,1,0,1,0|1,0,0]=3 1642 B6R0.3 CCC(=O)C(C)N MCULE-5434634349 [0,0,1,0,1,0|1,0,1]=4 1643 B6R0.3 CCC(=O)C(C)N MCULE-8408562669 [0,0,1,0,1,0|1,0,1]=4 1644 B6R0.3 CCC(Br)C(=O)N MCULE-5823441392 [0,0,1,0,1,0|1,0,1]=4 1645 B6R0.3 CCC(C)C(=O)N MCULE-9298244547 [0,0,1,0,1,0|1,0,1]=4 1646 B6R0.3 CCC(Cl)C(=O)N MCULE-7941338456 [0,0,1,0,1,0|1,0,1]=4 1647 B6R0.3 CCC(N)C(=O)N MCULE-2662930657 [0,0,1,0,1,0|1,0,1]=4 1648 B6R0.3 CCC(N)C(=O)N MCULE-5136248706 [0,0,1,0,1,0|1,0,1]=4 1649 B6R0.3 CCC(N)C(=O)N MCULE-8876361903 [0,0,1,0,1,0|1,0,1]=4 1650 B6R0.3 CCC(N)C(=O)N MCULE-9704177556 [0,0,1,0,1,0|1,0,1]=4 1651 B6R0.3 CCC(O)C(=O)N MCULE-4290959224 [0,0,1,0,1,0|0,0,2]=4 1652 B6R0.3 CCN(N)C(=O)N MCULE-8674876262 [0,0,1,0,1,0|2,0,0]=4 1653 B6R0.3 CC[C@@H](C)C(=O)N MCULE-3083676357 [0,0,1,0,1,0|1,0,1]=4 1654 B6R0.3 CC[C@@H](C)C(=O)N MCULE-4584753474 [0,0,1,0,1,0|1,0,1]=4 1655 B6R0.3 CC[C@@H](N)C(=O)N MCULE-2790345262 [0,0,1,0,1,0|1,0,1]=4 1656 B6R0.3 CC[C@@H](N)C(=O)N MCULE-3501293124 [0,0,1,0,1,0|1,0,1]=4 1657 B6R0.3 CC[C@@H](N)C(=O)N MCULE-4913204798 [0,0,1,0,1,0|1,0,1]=4 1658 B6R0.3 CC[C@@H](N)C(=O)N MCULE-5005994513 [0,0,1,0,1,0|1,0,1]=4 1659 B6R0.3 CC[C@H](N)C(=O)N MCULE-1934671300 [0,0,1,0,1,0|1,0,1]=4 1660 B6R0.3 CC[C@H](N)C(=O)N MCULE-3034729287 [0,0,1,0,1,0|1,0,1]=4 1661 B6R0.3 CC[C@H](N)C(=O)N MCULE-6902117665 [0,0,1,0,1,0|1,0,1]=4 1662 B6R0.3 CC[C@H](N)C(=O)N MCULE-9419812665 [0,0,1,0,1,0|1,0,1]=4 1663 B6R0.3 CNC(=O)C(=O)O MCULE-5436132271 [0,0,1,0,1,0|1,0,0]=3 1664 B6R0.3 CNC(=O)C(C)Br MCULE-8111267694 [0,0,1,0,1,0|1,0,1]=4 1665 B6R0.3 CNC(=O)C(C)C MCULE-9646758802 [0,0,1,0,1,0|1,0,1]=4 1666 B6R0.3 CNC(=O)C(C)Cl MCULE-6524637023 [0,0,1,0,1,0|1,0,1]=4 1667 B6R0.3 CNC(=O)C(C)N MCULE-2283707986 [0,0,1,0,1,0|1,0,1]=4 1668 B6R0.3 CNC(=O)C(C)N MCULE-2976078375 [0,0,1,0,1,0|1,0,1]=4 1669 B6R0.3 CNC(=O)C(C)N MCULE-5544490576 [0,0,1,0,1,0|1,0,1]=4 1670 B6R0.3 CNC(=O)C(C)N MCULE-8815196909 [0,0,1,0,1,0|1,0,1]=4 1671 B6R0.3 CNC(=O)C(C)O MCULE-4714977257 [0,0,1,0,1,0|0,0,2]=4 1672 B6R0.3 CNC(=O)N(C)C MCULE-3799320827 [0,0,1,0,1,0|2,0,0]=4 1673 B6R0.3 CNC(=O)[C@@H](C)N MCULE-4498032248 [0,0,1,0,1,0|1,0,1]=4 1674 B6R0.3 CNC(=O)[C@@H](C)N MCULE-6909082129 [0,0,1,0,1,0|1,0,1]=4 1675 B6R0.3 CNC(=O)[C@@H](C)N MCULE-7642558844 [0,0,1,0,1,0|1,0,1]=4 1676 B6R0.3 CNC(=O)[C@@H](C)N MCULE-8543898121 [0,0,1,0,1,0|1,0,1]=4 1677 B6R0.3 CNC(=O)[C@@H](C)O MCULE-8955033466 [0,0,1,0,1,0|0,0,2]=4 1678 B6R0.3 CNC(=O)[C@H](C)N MCULE-5297375743 [0,0,1,0,1,0|1,0,1]=4 1679 B6R0.3 CNC(=O)[C@H](C)N MCULE-6807150828 [0,0,1,0,1,0|1,0,1]=4 1680 B6R0.3 CNC(=O)[C@H](C)N MCULE-8365508630 [0,0,1,0,1,0|1,0,1]=4 1681 B6R0.3 CNC(=O)[C@H](C)N MCULE-9773818316 [0,0,1,0,1,0|1,0,1]=4 1682 B6R0.3 CNC(=O)[C@H](C)O MCULE-8015727044 [0,0,1,0,1,0|0,0,2]=4 1683 B6R0.3 COC(=O)C(=N)N MCULE-3129647301 [0,0,1,0,1,0|2,0,0]=4 1684 B6R0.3 COC(=O)C(=N)N MCULE-4942451868 [0,0,1,0,1,0|2,0,0]=4 1685 B6R0.3 COC(=O)C(=O)C MCULE-5423483210 [0,0,1,0,1,0|1,0,0]=3 1686 B6R0.3 COC(=O)C(=O)Cl MCULE-1380456689 [0,0,1,0,1,0|2,0,0]=4 1687 B6R0.3 COC(=O)C(=O)O MCULE-8527842270 [0,0,1,0,1,0|2,0,0]=4 1688 B6R0.3 COC(=O)C(=O)[O-] MCULE-5187907456 [0,0,1,0,1,0|2,0,0]=4 1689 B6R0.3 COC(=O)C(=S)N MCULE-8900860523 [0,0,1,0,1,0|1,1,0]=4 1690 B6R0.3 NNC(=O)C(=O)N MCULE-5080628360 [0,0,1,0,1,0|2,0,0]=4 1691 B6R0.3 O=C(Cl)C(=O)CBr MCULE-1637788630 [0,0,1,0,1,0|2,0,0]=4 1692 B6R0.3 O=C(O)C(=O)CBr MCULE-4768170572 [0,0,1,0,1,0|2,0,0]=4 1693 B6R0.3 O=C(O)C(=O)CCl MCULE-7853426045 [0,0,1,0,1,0|2,0,0]=4 1694 B6R0.3 O=C(O)C(=O)CF MCULE-5884987827 [0,0,1,0,1,0|2,0,0]=4 1695 B6R0.3 O=C(O)C(=O)CO MCULE-2263002631 [0,0,1,0,1,0|2,0,0]=4 1696 B6R0.3 O=C(O)C(=O)CS MCULE-7466669113 [0,0,1,0,1,0|2,0,0]=4 1697 B6R0.3 O=C([O-])C(=O)CF MCULE-9109967389 [0,0,1,0,1,0|2,0,0]=4 1698 B6R0.3 O=C([O-])C(=O)CS MCULE-4375165973 [0,0,1,0,1,0|2,0,0]=4 1699 B6R1.2 BrC1=CCCC1 MCULE-1008379150 [1,0,0,0,1,0|2,0,0]=4 1700 B6R1.2 BrC1=COCC1 MCULE-8057569313 [1,0,0,0,1,0|2,0,0]=4 1701 B6R1.2 C=C1CCNC1 MCULE-7982953073 [1,0,0,0,1,0|1,0,1]=4 1702 B6R1.2 C=C1CCNC1 MCULE-8428731599 [1,0,0,0,1,0|1,0,1]=4 1703 B6R1.2 CC1=CCCC1 MCULE-8508688474 [1,0,0,0,1,0|2,0,0]=4 1704 B6R1.2 CC1=CCCO1 MCULE-7276659214 [1,0,0,0,1,0|2,0,0]=4 1705 B6R1.2 CC1=NCCN1 MCULE-4787238872 [1,0,0,0,1,0|1,0,1]=4 1706 B6R1.2 CC1=NNCC1 MCULE-1758510182 [1,0,0,0,1,0|1,0,1]=4 1707 B6R1.2 ClC1=CCCC1 MCULE-7680993065 [1,0,0,0,1,0|2,0,0]=4 1708 B6R1.2 ClC1=NCCN1 MCULE-2043711677 [1,0,0,0,1,0|1,0,1]=4 1709 B6R1.2 ClC1=NCCN1 MCULE-2296476673 [1,0,0,0,1,0|1,0,1]=4 1710 B6R1.2 IC1=CCCC1 MCULE-5953451970 [1,0,0,0,1,0|2,0,0]=4 1711 B6R1.2 IC1=COCC1 MCULE-3076361502 [1,0,0,0,1,0|2,0,0]=4 1712 B6R1.2 N=C1NCCN1 MCULE-4983030911 [1,0,0,0,1,0|1,0,0]=3 1713 B6R1.2 NC1=CCNN1 MCULE-1539779543 [1,0,0,0,1,0|1,0,1]=4 1714 B6R1.2 NC1=CCNN1 MCULE-3460056890 [1,0,0,0,1,0|1,0,1]=4 1715 B6R1.2 NC1=CCNN1 MCULE-5423983278 [1,0,0,0,1,0|1,0,1]=4 1716 B6R1.2 NC1=NCCN1 MCULE-1788173657 [1,0,0,0,1,0|1,0,1]=4 1717 B6R1.2 NC1=NCCN1 MCULE-9804694628 [1,0,0,0,1,0|1,0,1]=4 1718 B6R1.2 NC1=NNCC1 MCULE-4665265929 [1,0,0,0,1,0|1,0,1]=4 1719 B6R1.2 O=C1C=CCC1 MCULE-1844779047 [1,0,0,0,1,0|1,0,0]=3 1720 B6R1.2 O=C1C=CCN1 MCULE-4338701003 [1,0,0,0,1,0|0,0,1]=3 1721 B6R1.2 O=C1C=CCO1 MCULE-4296503663 [1,0,0,0,1,0|1,0,1]=4 1722 B6R1.2 O=C1C=CCS1 MCULE-5623095583 [1,0,0,0,1,0|1,0,1]=4 1723 B6R1.2 O=C1C=CNN1 MCULE-8045056316 [1,0,0,0,1,0|0,0,2]=4 1724 B6R1.2 O=C1C=CSC1 MCULE-6580304664 [1,0,0,0,1,0|2,0,0]=4 1725 B6R1.2 O=C1C=CSN1 MCULE-6820517860 [1,0,0,0,1,0|1,0,1]=4 1726 B6R1.2 O=C1CC=CC1 MCULE-7606670114 [1,0,0,0,1,0|1,0,1]=4 1727 B6R1.2 O=C1CC=NN1 MCULE-1672455504 [1,0,0,0,1,0|0,0,2]=4 1728 B6R1.2 O=C1CCCC1 MCULE-9455227735 [1,0,0,0,1,0|1,0,1]=4 1729 B6R1.2 O=C1CCCN1 MCULE-3061780794 [1,0,0,0,1,0|0,0,1]=3 1730 B6R1.2 O=C1CCCO1 MCULE-6795890265 [1,0,0,0,1,0|1,0,1]=4 1731 B6R1.2 O=C1CCCS1 MCULE-5361654550 [1,0,0,0,1,0|1,0,1]=4 1732 B6R1.2 O=C1CCNC1 MCULE-2947789259 [1,0,0,0,1,0|0,0,1]=3 1733 B6R1.2 O=C1CCNC1 MCULE-7192595052 [1,0,0,0,1,0|0,0,1]=3 1734 B6R1.2 O=C1CCNN1 MCULE-7030953666 [1,0,0,0,1,0|0,0,0]=2 1735 B6R1.2 O=C1CCOC1 MCULE-2031733910 [1,0,0,0,1,0|1,0,1]=4 1736 B6R1.2 O=C1CCON1 MCULE-6799359324 [1,0,0,0,1,0|1,0,0]=3 1737 B6R1.2 O=C1CCSC1 MCULE-2059655624 [1,0,0,0,1,0|1,0,1]=4 1738 B6R1.2 O=C1CC[NH2+]N1 MCULE-5327505055 [1,0,0,0,1,0|0,0,1]=3 1739 B6R1.2 O=C1CNCN1 MCULE-2645891847 [1,0,0,0,1,0|0,0,1]=3 1740 B6R1.2 O=C1CNCN1 MCULE-9269137129 [1,0,0,0,1,0|0,0,1]=3 1741 B6R1.2 O=C1CSCN1 MCULE-3946660854 [1,0,0,0,1,0|1,0,1]=4 1742 B6R1.2 O=C1NC=CN1 MCULE-6249170076 [1,0,0,0,1,0|0,0,1]=3 1743 B6R1.2 O=C1NC=CO1 MCULE-4371023805 [1,0,0,0,1,0|1,0,1]=4 1744 B6R1.2 O=C1NC=CS1 MCULE-2039347995 [1,0,0,0,1,0|1,0,1]=4 1745 B6R1.2 O=C1NC=NN1 MCULE-8685001700 [1,0,0,0,1,0|1,0,0]=3 1746 B6R1.2 O=C1NCCN1 MCULE-9806791551 [1,0,0,0,1,0|0,0,0]=2 1747 B6R1.2 O=C1NCCO1 MCULE-3934923008 [1,0,0,0,1,0|1,0,0]=3 1748 B6R1.2 O=C1NCCS1 MCULE-6732478086 [1,0,0,0,1,0|1,0,0]=3 1749 B6R1.2 O=C1NN=NN1 MCULE-2843823671 [1,0,0,0,1,0|2,0,0]=4 1750 B6R1.2 O=C1OCCO1 MCULE-9493253045 [1,0,0,0,1,0|2,0,0]=4 1751 B6R1.2 S=C1CCCN1 MCULE-1089290822 [1,0,0,0,1,0|0,1,1]=4 1752 B6R1.2 S=C1NCCN1 MCULE-3300710815 [1,0,0,0,1,0|0,1,0]=3 1753 B6R1.4 CC1CCC1=O MCULE-4548181715 [0,0,0,0,2,0|1,0,1]=4 1754 B6R1.4 CC1CNC1=O MCULE-5523309752 [0,0,0,0,2,0|1,0,1]=4 1755 B6R1.4 NC1CCC1=O MCULE-3868209809 [0,0,0,0,2,0|1,0,1]=4 1756 B6R1.4 NC1CCC1=O MCULE-9741389143 [0,0,0,0,2,0|1,0,1]=4 1757 B6R1.4 NC1CNC1=O MCULE-2761616663 [0,0,0,0,2,0|1,0,1]=4 1758 B6R1.4 NC1CNC1=O MCULE-3021306383 [0,0,0,0,2,0|1,0,1]=4 1759 B6R1.4 NC1CNC1=O MCULE-3943057121 [0,0,0,0,2,0|1,0,1]=4 1760 B6R1.4 NN1CCC1=O MCULE-6200802911 [0,0,0,0,2,0|2,0,0]=4 1761 B6R1.4 NN1CCC1=O MCULE-8249778821 [0,0,0,0,2,0|2,0,0]=4 1762 B6R1.4 N[C@@H]1CNC1=O MCULE-3645662662 [0,0,0,0,2,0|1,0,1]=4 1763 B6R1.4 N[C@@H]1CNC1=O MCULE-4399212271 [0,0,0,0,2,0|1,0,1]=4 1764 B6R1.4 N[C@@H]1CNC1=O MCULE-6332076219 [0,0,0,0,2,0|1,0,1]=4 1765 B6R1.4 N[C@@H]1CNC1=O MCULE-6365012530 [0,0,0,0,2,0|1,0,1]=4 1766 B6R1.4 N[C@H]1CNC1=O MCULE-2792436534 [0,0,0,0,2,0|1,0,1]=4 1767 B6R1.4 N[C@H]1CNC1=O MCULE-6881316562 [0,0,0,0,2,0|1,0,1]=4 1768 B6R1.4 N[C@H]1CNC1=O MCULE-8864053661 [0,0,0,0,2,0|1,0,1]=4 1769 B6R1.4 N[C@H]1CNC1=O MCULE-9014449253 [0,0,0,0,2,0|1,0,1]=4 1770 B6R1.4 O=C1CCC1Br MCULE-1088592133 [0,0,0,0,2,0|1,0,1]=4 1771 B6R1.4 O=C1CCC1F MCULE-6197375881 [0,0,0,0,2,0|1,0,1]=4 1772 B6R1.4 O=C1CCC1O MCULE-1248327203 [0,0,0,0,2,0|0,0,2]=4 1773 B6R1.4 O=C1CC[C@@H]1Br MCULE-3455449754 [0,0,0,0,2,0|1,0,1]=4 1774 B6R1.5 C=C1CC(=O)O1 MCULE-7149487095 [0,0,0,0,2,0|2,0,0]=4 1775 B6R1.5 CC1CC(=O)N1 MCULE-6139592633 [0,0,0,0,2,0|1,0,1]=4 1776 B10R1.71 O=C1CCC(=O)OCCO1 MCULE-7142989558 [0,0,0,0,0,2|2,0,0]=4 1777 B10R1.77 O=C1CCCCCC(=O)C1 MCULE-5507646577 [0,0,0,0,0,2|2,0,0]=4 1778 B10R1.77 O=C1CCCCCC(=O)O1 MCULE-4901663442 [0,0,0,0,0,2|2,0,0]=4 1779 B10R1.79 O=C1CCCC(=O)CCC1 MCULE-2006786254 [0,0,0,0,0,2|2,0,0]=4