0 B12R2.221 O=C1NCC(=O)N2C1CCC2 Z1154665601 [0,0,0,0,0,0|0,0,0]=0 1 B12R2.221 O=C1NCC(=O)N2[C@H]1CCC2 Z1198149427 [0,0,0,0,0,0|0,0,0]=0 2 B11R2.106 O=C1C=CC=C2N1CCC2 Z1258980489 [1,0,0,0,0,0|1,0,2]=4 3 B11R2.106 O=C1CCNC2N1CCC2 Z2900168935 [1,0,0,0,0,0|2,0,0]=3 4 B11R2.106 O=C1NCCN2C1CCC2 Z336079880 [1,0,0,0,0,0|0,0,1]=2 5 B11R2.106 O=C1NCC[C@H]2[C@@H]1CCO2 Z2309893036 [1,0,0,0,0,0|2,0,1]=4 6 B13R2.5393 CC1NC(=O)C2CCCN2C1=O Z1187847304 [0,1,0,0,0,0|0,0,0]=1 7 B11R1.29 C#CCNC(=O)C1CCCC1 Z188794502 [0,0,1,0,0,0|2,0,1]=4 8 B11R1.29 CCCNC(=O)C1CCCC1 Z33030601 [0,0,1,0,0,0|2,0,1]=4 9 B11R1.29 CCCNC(=O)C1CCCN1 Z56968526 [0,0,1,0,0,0|1,0,1]=3 10 B11R1.29 CSCCC(=O)N1CCCC1 Z31479536 [0,0,1,0,0,0|3,0,0]=4 11 B11R1.29 NCCCC(=O)N1CCCC1 Z3476243857 [0,0,1,0,0,0|2,0,1]=4 12 B11R1.29 NCCNC(=O)C1CCCC1 Z992716864 [0,0,1,0,0,0|2,0,1]=4 13 B11R1.59 N#C[C@@H]1CCCN1C(=O)CCl Z1198180839 [0,0,1,0,0,0|2,0,1]=4 14 B11R1.178 CC(=O)N1CCC[C@@H]1C(=O)O Z1078490036 [0,0,1,0,0,0|1,0,0]=2 15 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)O Z85923459 [0,0,1,0,0,0|1,0,0]=2 16 B11R1.178 CC(=O)N1CSCC1C(=O)O Z316101354 [0,0,1,0,0,0|2,0,0]=3 17 B11R1.178 CC(C)N1CCCC1C(=O)O Z424762070 [0,0,1,0,0,0|2,0,1]=4 18 B11R1.178 NC(=O)C1CNCC1C(=O)N Z2511841656 [0,0,1,0,0,0|3,0,0]=4 19 B11R1.178 NC(=O)N1CCCC1C(=O)O Z56889385 [0,0,1,0,0,0|2,0,0]=3 20 B11R1.178 NC(=O)N1CCC[C@H]1C(=O)O Z360054132 [0,0,1,0,0,0|2,0,0]=3 21 B11R1.178 O=C(O)C1CCCC1C(=O)O Z1198150630 [0,0,1,0,0,0|3,0,0]=4 22 B11R2.202 N=C1NC(=O)C2N1CCC2 Z2756883843 [0,0,0,0,1,0|1,0,0]=2 23 B11R2.202 O=C1NC(=O)C2=C1CCC2 Z1255428736 [0,0,0,0,1,0|1,0,1]=3 24 B11R2.202 O=C1NC(=O)N2C1CCC2 Z56876516 [0,0,0,0,1,0|0,0,0]=1 25 B11R2.202 O=C1NC(=O)N2C1CSC2 Z57479759 [0,0,0,0,1,0|1,0,0]=2 26 B13R2.371 O=C1NCC(=O)N2C1CCCC2 Z1187847303 [0,0,0,0,0,1|0,0,0]=1 27 B13R2.3040 O=C1NCCC(=O)N2C1CCC2 Z1359690385 [0,0,0,0,0,1|0,0,0]=1 28 B10R1.11 CCOC(=O)C1CCCN1 Z361885340 [1,0,1,0,0,0|1,0,1]=4 29 B10R1.11 CCOC(=O)[C@H]1CCCN1 Z2327570058 [1,0,1,0,0,0|1,0,1]=4 30 B10R1.11 CNCC(=O)N1CCCC1 Z104756708 [1,0,1,0,0,0|0,0,1]=3 31 B10R1.11 N#CCC(=O)N1CCCC1 Z56824664 [1,0,1,0,0,0|1,0,1]=4 32 B10R1.11 NCCC(=O)N1CCCC1 Z1449745387 [1,0,1,0,0,0|1,0,1]=4 33 B10R1.39 CC(=O)N1CCCC1C#N Z1227728672 [1,0,1,0,0,0|0,0,2]=4 34 B10R1.39 CC(=O)N1CCCC1CN Z5184060281 [1,0,1,0,0,0|0,0,1]=3 35 B10R1.39 NC(=O)N1CCC[C@H]1CO Z1203582422 [1,0,1,0,0,0|0,0,2]=4 36 B10R1.39 O=NN1CCC[C@H]1C(=O)O Z1198157871 [1,0,1,0,0,0|2,0,0]=4 37 B10R1.149 COC(=O)C1CCCN1C Z905213162 [1,0,1,0,0,0|1,0,1]=4 38 B10R1.149 O=C(CCl)N1CCCC1=O Z56900890 [1,0,1,0,0,0|1,0,1]=4 39 B10R1.30 CCN1CC(=O)NCC1=O Z1203748905 [1,0,1,0,0,0|0,0,0]=2 40 B10R1.78 O=C1CCCCCCCN1 Z1203730756 [1,0,1,0,0,0|1,0,1]=4 41 B10R1.4 CCCC1NCCNC1=O Z978935024 [1,0,1,0,0,0|0,0,1]=3 42 B10R1.4 O=C1NCCNC1CCO Z336080888 [1,0,1,0,0,0|1,0,1]=4 43 B10R1.10 O=C1CN(CCN1)CCO Z197260950 [1,0,1,0,0,0|1,0,1]=4 44 B10R2.7 C1CC2CNCCN2C1 Z275141212 [2,0,0,0,0,0|0,0,2]=4 45 B12R1.54 N=C(N)NCC(=O)N1CCCC1 Z911465758 [0,1,1,0,0,0|1,0,0]=3 46 B12R1.54 O=C(O)CNC(=O)C1CCCC1 Z85886788 [0,1,1,0,0,0|1,0,0]=3 47 B12R1.54 O=C(O)CNC(=O)C1CCCN1 Z1739254635 [0,1,1,0,0,0|0,0,0]=2 48 B12R1.54 O=C(O)CNC(=O)N1CCCC1 Z424782532 [0,1,1,0,0,0|2,0,0]=4 49 B12R1.54 O=C(O)CNC(=O)[C@@H]1CCCN1 Z2678299582 [0,1,1,0,0,0|0,0,0]=2 50 B12R1.460 CN1CCC[C@@H]1C(=O)NCC#N Z2879474612 [0,1,1,0,0,0|1,0,1]=4 51 B12R1.80 CCN1CCCC1C(=O)N(C)C Z286761296 [0,1,1,0,0,0|1,0,1]=4 52 B12R1.80 C[C@H](N)C(=O)N1CCC[C@H]1C#N Z3397365415 [0,1,1,0,0,0|1,0,1]=4 53 B12R1.368 C#CC(=O)N1CCC[C@@H]1C(=O)O Z1078490662 [0,1,1,0,0,0|1,0,1]=4 54 B12R1.368 C#CC(=O)N1CCC[C@H]1C(=O)O Z756430346 [0,1,1,0,0,0|1,0,1]=4 55 B12R1.368 C=CC(=O)N1CCCC1C(=O)O Z316090866 [0,1,1,0,0,0|1,0,1]=4 56 B12R1.368 CCC(=O)N1CSCC1C(=O)O Z316101256 [0,1,1,0,0,0|2,0,0]=4 57 B12R1.368 CNC(=O)[C@H]1CCCN1C(=O)C Z1216855779 [0,1,1,0,0,0|0,0,0]=2 58 B12R1.368 COC(=O)C1CCCC1C(=O)O Z1255428485 [0,1,1,0,0,0|2,0,0]=4 59 B12R1.368 COC(=O)C1CCCN1C(=O)C Z66459743 [0,1,1,0,0,0|1,0,0]=3 60 B12R1.368 COC(=O)N1CCCC1C(=O)O Z319610280 [0,1,1,0,0,0|2,0,0]=4 61 B12R1.368 O=C(O)C1CCCN1C(=O)CCl Z336080984 [0,1,1,0,0,0|1,0,0]=3 62 B12R1.263 CS(=O)(=O)N1CCCC1C(=O)N Z193091370 [0,1,1,0,0,0|1,0,0]=3 63 B12R1.850 CC(=O)N1C[C@@H](C[C@@H]1C(=O)O)O Z1250093582 [0,1,1,0,0,0|1,0,0]=3 64 B12R1.850 CC(=O)N1C[C@@H](C[C@H]1C(=O)O)O Z1160837276 [0,1,1,0,0,0|1,0,0]=3 65 B12R1.850 CC(=O)N1C[C@H](C[C@@H]1C(=O)O)O Z1262515248 [0,1,1,0,0,0|1,0,0]=3 66 B12R1.850 NC(=O)N1CC(CC1C(=O)O)O Z56876515 [0,1,1,0,0,0|2,0,0]=4 67 B12R1.127 CC(C)C[C@H]1NC(=O)CNC1=O Z1509163043 [0,1,1,0,0,0|0,0,0]=2 68 B12R1.127 O=C(O)CC1NC(=O)CNC1=O Z1262521064 [0,1,1,0,0,0|1,0,1]=4 69 B12R2.2343 CN1C(=O)C2CSCN2C1=O Z1611806241 [0,1,0,0,1,0|1,0,0]=3 70 B12R2.3901 O=C1NS(=O)(=O)N2[C@H]1CCC2 Z1216855839 [0,1,0,0,1,0|1,0,0]=3 71 B14R2.8653 O=C(O)C1CCC(=O)N2C1CCC2 Z2732583386 [0,2,0,0,0,0|1,0,1]=4 72 B10R0.91 CCCNCC(=O)NCCC Z104884800 [0,0,2,0,0,0|1,0,1]=4 73 B10R0.108 CCNC(=O)CNC(=O)CCl Z147651766 [0,0,2,0,0,0|1,0,0]=3 74 B10R0.108 CCOC(=O)CNC(=O)CC Z594035716 [0,0,2,0,0,0|1,0,0]=3 75 B10R0.108 CCOC(=O)CNC(=O)OC Z594037488 [0,0,2,0,0,0|2,0,0]=4 76 B10R0.78 CCCNC(=O)CCC(=O)O Z90423791 [0,0,2,0,0,0|2,0,0]=4 77 B10R0.78 NCCCC(=O)NCC(=O)O Z760081522 [0,0,2,0,0,0|2,0,0]=4 78 B10R0.97 CC(=O)NCCOCC(=O)O Z1323534045 [0,0,2,0,0,0|2,0,0]=4 79 B10R0.97 NC(=O)NCCCCC(=O)O Z90663560 [0,0,2,0,0,0|2,0,0]=4 80 B10R0.23 CCCC(NC(=O)C)C(=O)O Z444320916 [0,0,2,0,0,0|1,0,0]=3 81 B10R0.23 CCCC(NC(=O)N)C(=O)O Z444323704 [0,0,2,0,0,0|2,0,0]=4 82 B10R0.23 CCC[C@@H](NC(=O)N)C(=O)O Z1262552685 [0,0,2,0,0,0|2,0,0]=4 83 B12R2.229 O=C1NCCCN2C1CCC2 Z234898055 [0,0,1,1,0,0|1,0,1]=4 84 B12R2.2074 O=C(NC1CC1)C2CCCN2 Z324552978 [0,0,1,1,0,0|1,0,1]=4 85 B12R2.1145 O=C(O)C1C[C@H]2CC(=O)[C@@H]1C2 Z2275489981 [0,0,1,1,0,0|2,0,0]=4 86 B12R2.24 O=C1CNC2CCCCC2N1 Z429372672 [0,0,1,1,0,0|1,0,1]=4 87 B10R1.175 COC(=O)[C@@H]1CC[C@H]1C=O Z4546157639 [0,0,1,0,1,0|2,0,0]=4 88 B10R1.361 NC(=O)C1CCC1C(=O)O Z1203638038 [0,0,1,0,1,0|2,0,0]=4 89 B10R1.130 C#CCC1NC(=O)NC1=O Z1513536451 [0,0,1,0,1,0|0,0,2]=4 90 B10R1.130 CCCC1NC(=O)NC1=O Z104495354 [0,0,1,0,1,0|0,0,0]=2 91 B10R1.130 CCCN1CC(CC1=O)N Z2418193630 [0,0,1,0,1,0|1,0,1]=4 92 B10R1.130 CCNC1CC(=O)NC1=O Z444833942 [0,0,1,0,1,0|2,0,0]=4 93 B10R1.130 CSCC1NC(=O)NC1=O Z1262692662 [0,0,1,0,1,0|1,0,0]=3 94 B10R1.130 O=C1NC(=O)C(N1)CCS Z228588820 [0,0,1,0,1,0|1,0,0]=3 95 B10R1.187 CCCN1C(=O)CN=C1S Z90122383 [0,0,1,0,1,0|0,1,1]=4 96 B10R1.187 N#CCN1C(=O)CNC1=O Z18358105 [0,0,1,0,1,0|1,0,1]=4 97 B10R1.187 NCCN1C(=O)CCC1=O Z1267881623 [0,0,1,0,1,0|2,0,0]=4 98 B10R1.187 NCCN1C(=O)CNC1=O Z1267881665 [0,0,1,0,1,0|1,0,0]=3 99 B10R1.187 NCCN1C(=O)CSC1=O Z56799650 [0,0,1,0,1,0|2,0,0]=4 100 B10R1.187 NCCN1C(=O)NNC1=O Z5089881176 [0,0,1,0,1,0|2,0,0]=4 101 B10R1.187 O=C1CNC(=O)N1CCBr Z285922020 [0,0,1,0,1,0|1,0,0]=3 102 B10R1.187 O=C1CNC(=O)N1CCO Z149170062 [0,0,1,0,1,0|1,0,0]=3 103 B10R2.32 O=C1NCC2C1CCC2 Z1198170665 [1,0,0,0,1,0|1,0,0]=3 104 B10R2.32 O=C1NC[C@H]2[C@@H]1CCC2 Z3715300326 [1,0,0,0,1,0|1,0,0]=3 105 B10R2.32 O=C1NC[C@H]2[C@@H]1CCO2 Z3067886863 [1,0,0,0,1,0|2,0,0]=4 106 B10R2.32 O=C1NC[C@H]2[C@@H]1OCC2 Z2309776372 [1,0,0,0,1,0|2,0,0]=4 107 B10R2.32 O=C1OC[C@H]2[C@@H]1CCC2 Z2786565576 [1,0,0,0,1,0|2,0,0]=4 108 B10R2.68 O=C1NCCC2C1CC2 Z3243444395 [1,0,0,0,1,0|1,0,1]=4 109 B10R2.42 O=C1NC(=O)[C@H]2[C@@H]1CC2 Z1201626795 [0,0,0,0,2,0|1,0,0]=3 110 B12R1.30 CCCNC(=O)C1CCCNC1 Z1262250778 [0,0,1,0,0,1|1,0,1]=4 111 B12R1.258 CC(=O)N1CCCC(C1)C(=O)N Z220816104 [0,0,1,0,0,1|0,0,0]=2 112 B12R1.258 CC(=O)N1CCCC(C1)C(=O)O Z85893766 [0,0,1,0,0,1|1,0,0]=3 113 B12R1.258 CC(=O)N1CCOC(C1)C(=O)O Z854090784 [0,0,1,0,0,1|2,0,0]=4 114 B12R1.258 NC(=O)C1CCCC(C1)C(=O)O Z1157726699 [0,0,1,0,0,1|2,0,0]=4 115 B12R1.258 NC(=O)N1CCCC(C1)C(=O)O Z104510598 [0,0,1,0,0,1|2,0,0]=4 116 B12R1.261 CC(=O)N1CCCCC1C(=O)O Z85895893 [0,0,1,0,0,1|1,0,0]=3 117 B12R1.261 CC(=O)N1CCOCC1C(=O)O Z1258978283 [0,0,1,0,0,1|1,0,0]=3 118 B12R1.261 CC(=O)N1CCSCC1C(=O)N Z1553145250 [0,0,1,0,0,1|0,0,0]=2 119 B12R1.261 NC(=O)[C@@H]1CCCC[C@@H]1C(=O)O Z1955831204 [0,0,1,0,0,1|2,0,0]=4 120 B12R1.392 CC(=O)N1CCCC1CC(=O)O Z808565612 [0,0,1,0,0,1|1,0,0]=3 121 B12R1.392 O=C(O)CN1CCCC1C(=O)O Z2694339170 [0,0,1,0,0,1|2,0,0]=4 122 B12R2.1081 O=C1CCCN2C1CSCC2 Z2739940705 [1,0,0,0,0,1|1,0,1]=4 123 B12R2.1081 O=C1CCNC2N1CCCC2 Z1262567646 [1,0,0,0,0,1|2,0,0]=4 124 B12R2.1081 O=C1CCNC2N1CCOC2 Z3035274767 [1,0,0,0,0,1|2,0,0]=4 125 B12R2.1081 O=C1CNCC2N1CCOC2 Z3586702848 [1,0,0,0,0,1|0,0,1]=3 126 B12R2.1081 O=C1COCC2N1CCNC2 Z4595204536 [1,0,0,0,0,1|1,0,1]=4 127 B12R2.1081 O=C1NCCC2C1NCCC2 Z2239079638 [1,0,0,0,0,1|1,0,1]=4 128 B12R2.1081 O=C1NCC[C@H]2[C@@H]1CNCC2 Z3073864587 [1,0,0,0,0,1|1,0,1]=4 129 B12R2.2028 NC1CC(=O)N2C1CCCC2 Z1209427230 [0,0,0,0,1,1|1,0,1]=4 130 B12R2.2028 O=C1CC(=O)N2C1CCCC2 Z1255399680 [0,0,0,0,1,1|0,0,0]=2 131 B12R2.2028 O=C1NC(=O)C2C1CC=CC2 Z56893117 [0,0,0,0,1,1|1,0,1]=4 132 B12R2.2028 O=C1NC(=O)C2C1CCCC2 Z56893140 [0,0,0,0,1,1|1,0,0]=3 133 B12R2.2028 O=C1NC(=O)C2C1CCNC2 Z1695922985 [0,0,0,0,1,1|1,0,0]=3 134 B12R2.2028 O=C1NC(=O)N2C1CCCC2 Z166630212 [0,0,0,0,1,1|0,0,0]=2 135 B12R2.2028 O=C1NC(=O)N2C1CNCC2 Z1332263557 [0,0,0,0,1,1|0,0,0]=2 136 B12R2.2028 O=C1OC(=O)C2C1CCCC2 Z57127491 [0,0,0,0,1,1|2,0,0]=4