0 B12R1.1589 CCNC(=O)C1=C(NN=C1C)Br Z2945596383 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.1589 CCOC(=O)C1=C(C=NN1C)Br Z1322794799 [0,0,0,0,0,0|3,0,0]=3 2 B12R1.1589 CCOC(=O)C1=C(N=CN1C)N Z1198309753 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.1589 CCOC(=O)C1=C(NC=C1C)C Z56933875 [0,0,0,0,0,0|1,0,0]=1 4 B12R1.1589 CCOC(=O)C1=C(NN=C1C)C Z1201619441 [0,0,0,0,0,0|0,0,0]=0 5 B12R1.1589 CCOC(=O)C1=C(ON=C1C)C Z54444003 [0,0,0,0,0,0|1,0,0]=1 6 B12R1.1589 CCOC(=O)C1=C(ON=C1C)N Z90667557 [0,0,0,0,0,0|2,0,0]=2 7 B12R1.1589 CCOC(=O)C1=C(ON=C1C)O Z1262328781 [0,0,0,0,0,0|2,0,0]=2 8 B12R1.1589 CCOC(=O)C1=C(ON=C1N)C Z1262635969 [0,0,0,0,0,0|2,0,0]=2 9 B12R1.1589 CCOC(=O)C1=C(SC=C1C)N Z104476356 [0,0,0,0,0,0|3,0,0]=3 10 B12R1.1589 CONC(=O)C1=C(ON=C1C)C Z247486364 [0,0,0,0,0,0|3,0,0]=3 11 B11R1.199 CCNC(=O)C1=C(OC=C1)C Z100648134 [1,0,0,0,0,0|3,0,0]=4 12 B11R1.199 CCOC(=O)C1=C(C=CN1)C Z1198156006 [1,0,0,0,0,0|3,0,0]=4 13 B11R1.199 CCOC(=O)C1=C(N=CN1)C Z56813343 [1,0,0,0,0,0|2,0,0]=3 14 B11R1.199 CCOC(=O)C1=C(N=CN1)N Z1318147494 [1,0,0,0,0,0|3,0,0]=4 15 B11R1.199 CCOC(=O)C1=C(N=CO1)C Z240985414 [1,0,0,0,0,0|2,0,0]=3 16 B11R1.199 CCOC(=O)C1=C(N=CS1)C Z425641066 [1,0,0,0,0,0|2,0,0]=3 17 B11R1.199 CCOC(=O)C1=C(N=NN1)C Z2037296673 [1,0,0,0,0,0|1,0,1]=3 18 B11R1.199 CCOC(=O)C1=C(NN=C1)N Z57683723 [1,0,0,0,0,0|1,0,0]=2 19 B11R1.199 CCOC(=O)C1=C(NN=C1)O Z1198169701 [1,0,0,0,0,0|1,0,0]=2 20 B11R1.199 CCOC(=O)C1=C(NN=C1)S Z3482415827 [1,0,0,0,0,0|1,0,0]=2 21 B11R1.199 CCOC(=O)C1=C(ON=C1)N Z56965920 [1,0,0,0,0,0|2,0,0]=3 22 B11R1.199 CCOC(=O)C1=C(SC=C1)N Z56769392 [1,0,0,0,0,0|3,0,0]=4 23 B11R1.199 CCOC(=O)C1=CN=NN1C Z1330873912 [1,0,0,0,0,0|1,0,1]=3 24 B11R1.199 CCOC(=O)C1=CNN=C1C Z234808486 [1,0,0,0,0,0|0,0,0]=1 25 B11R1.199 CCOC(=O)C1=NC=NN1C Z1124756571 [1,0,0,0,0,0|3,0,0]=4 26 B11R1.199 CCOC(=O)C1=NNC=C1N Z1198168984 [1,0,0,0,0,0|3,0,0]=4 27 B11R1.465 CC1=NNC(=C1CCCN)C Z4444357864 [1,0,0,0,0,0|2,0,1]=4 28 B11R1.875 CC1=COC(=C1C(=O)CCl)C Z3211927495 [1,0,0,0,0,0|3,0,0]=4 29 B11R1.875 CC1=NOC(=C1C(=O)CCl)C Z372795226 [1,0,0,0,0,0|2,0,0]=3 30 B11R1.875 CNC(=O)C1=C(NN=C1N)C Z1982493940 [1,0,0,0,0,0|2,0,0]=3 31 B11R1.875 COC(=O)C1=C(C=NN1C)N Z1198164939 [1,0,0,0,0,0|3,0,0]=4 32 B11R1.875 COC(=O)C1=C(NC=C1C)C Z56944123 [1,0,0,0,0,0|1,0,0]=2 33 B11R1.875 COC(=O)C1=C(NN=C1C)C Z1079132776 [1,0,0,0,0,0|0,0,0]=1 34 B11R1.875 COC(=O)C1=C(NN=C1C)N Z1198266257 [1,0,0,0,0,0|1,0,0]=2 35 B11R1.875 COC(=O)C1=C(NN=C1N)N Z1255493359 [1,0,0,0,0,0|2,0,0]=3 36 B11R1.875 COC(=O)C1=C(SC=C1C)N Z332379190 [1,0,0,0,0,0|3,0,0]=4 37 B11R1.875 COC(=O)C1=C(SN=C1C)N Z1536943530 [1,0,0,0,0,0|2,0,0]=3 38 B13R1.1524 CCOC(=O)C1=C(N=CN1C)C=O Z2732575271 [0,1,0,0,0,0|2,0,1]=4 39 B13R1.1524 CCOC(=O)C1=C(NN=C1CC)N Z1198266260 [0,1,0,0,0,0|1,0,0]=2 40 B13R1.1524 CCOC(=O)C1=C(NN=C1SC)N Z1251352441 [0,1,0,0,0,0|1,0,0]=2 41 B13R1.1524 CCOC(=O)C1=C(ON=C1C)NC Z1509265873 [0,1,0,0,0,0|1,0,0]=2 42 B13R1.1524 CCOC(=O)C1=C(SN=C1C)NC Z215268324 [0,1,0,0,0,0|1,0,0]=2 43 B13R1.1524 CNC1=C(C(=NS1)C)C(=O)NOC Z332780194 [0,1,0,0,0,0|3,0,0]=4 44 B13R1.2647 CON(C)C(=O)C1=C(ON=C1C)C Z54740368 [0,1,0,0,0,0|3,0,0]=4 45 B13R1.4456 CCOC(=O)C1=C(N(N=C1C)C)N Z440623562 [0,1,0,0,0,0|1,0,0]=2 46 B13R1.4456 CCOC(=O)C1=C(N(N=C1N)C)C Z1262625684 [0,1,0,0,0,0|1,0,0]=2 47 B13R1.4456 CCOC(=O)C1=C(N=C(N1C)C)N Z1262623883 [0,1,0,0,0,0|3,0,0]=4 48 B13R1.4456 CCOC(=O)C1=C(SC(=C1C)C)N Z56926601 [0,1,0,0,0,0|3,0,0]=4 49 B13R1.4456 CONC(=O)C1=C(N(N=C1C)C)Cl Z254326902 [0,1,0,0,0,0|3,0,0]=4 50 B13R2.3042 CC1=NNC(=C1C2CCCN2)C Z1416188258 [0,0,0,1,0,0|2,0,1]=4 51 B13R1.446 CCOC(=O)C1=C(C=NC(=C1)Br)Cl Z1269227896 [0,0,0,0,0,1|3,0,0]=4 52 B13R1.446 CCOC(=O)C1=C(C=NC(=C1)Cl)Cl Z1269158415 [0,0,0,0,0,1|3,0,0]=4 53 B13R1.446 CCOC(=O)C1=C(C=NC(=N1)Cl)F Z2901995338 [0,0,0,0,0,1|3,0,0]=4 54 B13R1.446 CCOC(=O)C1=C(C=NC(=N1)N)C Z1813200506 [0,0,0,0,0,1|2,0,0]=3 55 B13R1.446 CCOC(=O)C1=C(N=NC(=C1)C)Cl Z1813101436 [0,0,0,0,0,1|1,0,1]=3 56 B13R1.446 CCOC(=O)C1=C(N=NC(=C1)Cl)Cl Z1269223827 [0,0,0,0,0,1|2,0,1]=4 57 B13R1.446 CCOC(=O)C1=C(NN=C(C1)C)C Z1544612146 [0,0,0,0,0,1|0,0,0]=1 58 B13R1.2565 CCOC(=O)CC1C(=O)ON=C1C Z370706684 [0,0,0,0,0,1|2,0,1]=4 59 B13R1.2565 CNCC(=O)NC1=C(NN=C1C)C Z46190896 [0,0,0,0,0,1|2,0,0]=3 60 B13R1.4453 CCOC(=O)C1=C(N=CC=C1Cl)Br Z2182040257 [0,0,0,0,0,1|3,0,0]=4 61 B13R1.4453 CCOC(=O)C1=C(N=NC=C1C)Cl Z2732803263 [0,0,0,0,0,1|1,0,1]=3 62 B13R1.4453 CCOC(=O)C1=C(N=NC=C1C)O Z2732575047 [0,0,0,0,0,1|1,0,1]=3 63 B10R0.2 CCC/C(=C/C(=O)OCC)/C Z848606456 [1,0,1,0,0,0|1,0,1]=4 64 B10R0.2 CCOC(=O)/C=C(\C)/OCC Z740905622 [1,0,1,0,0,0|1,0,1]=4 65 B10R0.118 CC(=O)/C(=C(\C)/N)/C(=O)CCl Z108566736 [1,0,1,0,0,0|2,0,0]=4 66 B10R1.11 CCNC(=O)C1=CNN=N1 Z755044716 [2,0,0,0,0,0|2,0,0]=4 67 B10R1.11 CCOC(=O)C1=CC=NN1 Z303730206 [2,0,0,0,0,0|2,0,0]=4 68 B10R1.11 CCOC(=O)C1=CN=CS1 Z293196510 [2,0,0,0,0,0|2,0,0]=4 69 B10R1.11 CCOC(=O)C1=CNN=C1 Z975817026 [2,0,0,0,0,0|0,0,0]=2 70 B10R1.11 CCOC(=O)C1=CNN=N1 Z1118834497 [2,0,0,0,0,0|1,0,0]=3 71 B10R1.11 CCOC(=O)C1=CSN=N1 Z1117774232 [2,0,0,0,0,0|2,0,0]=4 72 B10R1.149 CC1=C(C=NO1)C(=O)CCl Z1386913501 [2,0,0,0,0,0|2,0,0]=4 73 B10R1.149 CC1=C(C=NS1)C(=O)CCl Z4499889601 [2,0,0,0,0,0|2,0,0]=4 74 B10R1.149 CC1=NOC=C1C(=O)CCl Z2429430913 [2,0,0,0,0,0|2,0,0]=4 75 B10R1.149 CCC(=O)C1=CN=CN1C Z1216833829 [2,0,0,0,0,0|2,0,0]=4 76 B10R1.149 COC(=O)C1=C(C=NN1)C Z2065788343 [2,0,0,0,0,0|2,0,0]=4 77 B10R1.149 COC(=O)C1=C(NC=C1)C Z1198183693 [2,0,0,0,0,0|1,0,0]=3 78 B10R1.149 COC(=O)C1=C(ON=C1)C Z231867432 [2,0,0,0,0,0|1,0,0]=3 79 B10R1.149 COC(=O)C1=CC=NN1C Z902570836 [2,0,0,0,0,0|2,0,0]=4 80 B10R1.149 COC(=O)C1=CN=CN1C Z5593017424 [2,0,0,0,0,0|2,0,0]=4 81 B10R1.149 COC(=O)C1=CNC=C1C Z847774320 [2,0,0,0,0,0|1,0,0]=3 82 B10R1.149 COC(=O)C1=CNNC1=O Z1216851836 [2,0,0,0,0,0|1,0,1]=4 83 B10R1.187 CC1=NNC(=C1CCN)C Z2106606067 [2,0,0,0,0,0|1,0,1]=4 84 B10R1.187 CC1=NNC(=C1CCO)C Z1198181517 [2,0,0,0,0,0|1,0,1]=4 85 B10R1.192 CC(=O)C1=C(NC=C1C)C Z89264938 [2,0,0,0,0,0|1,0,0]=3 86 B10R1.192 CC(=O)C1=C(ON=C1C)C Z372795452 [2,0,0,0,0,0|1,0,0]=3 87 B10R1.192 CC(=O)C1=C(SN=C1C)N Z113661216 [2,0,0,0,0,0|2,0,0]=4 88 B10R1.192 CC1=C(C(=N)SN1)C(=O)O Z314790180 [2,0,0,0,0,0|2,0,0]=4 89 B10R1.192 CC1=C(C(=NN1)N)C(=O)N Z1262327469 [2,0,0,0,0,0|2,0,0]=4 90 B10R1.192 CC1=C(N(C=N1)C)C(=O)O Z1795818585 [2,0,0,0,0,0|2,0,0]=4 91 B10R1.192 CC1=C(N(N=C1)C)C(=O)O Z1205494201 [2,0,0,0,0,0|2,0,0]=4 92 B10R1.192 CC1=COC(=C1C(=O)O)C Z1198181048 [2,0,0,0,0,0|2,0,0]=4 93 B10R1.192 CC1=NNC(=C1C(=O)O)C Z1171978889 [2,0,0,0,0,0|0,0,0]=2 94 B10R1.192 CC1=NNC(=C1C(=O)O)N Z4715175702 [2,0,0,0,0,0|1,0,0]=3 95 B10R1.192 CC1=NNC(=C1C(C)N)C Z2327883951 [2,0,0,0,0,0|1,0,1]=4 96 B10R1.192 CC1=NNC(=C1[N+](=O)[O-])C Z56855770 [2,0,0,0,0,0|1,0,1]=4 97 B10R1.192 CC1=NOC(=C1C(=O)O)C Z56939169 [2,0,0,0,0,0|1,0,0]=3 98 B10R1.192 CC1=NSC(=C1C(=O)O)Br Z1862000875 [2,0,0,0,0,0|2,0,0]=4 99 B10R1.192 CC1=NSC(=C1C(=O)O)C Z1262512766 [2,0,0,0,0,0|1,0,0]=3 100 B10R1.192 CC1=NSC(=C1C(=O)O)I Z2044775315 [2,0,0,0,0,0|2,0,0]=4 101 B12R0.283 CCOC(=O)/C=C(\C)/N=N/C(=O)N Z235344887 [0,1,1,0,0,0|1,0,1]=4 102 B12R1.144 CC(C)NC(=O)C1=C(NN=C1)N Z385407432 [1,1,0,0,0,0|2,0,0]=4 103 B12R1.313 CCOC(=O)C1=C(N=C(N1)C)C Z1486011591 [1,1,0,0,0,0|2,0,0]=4 104 B12R1.313 CCOC(=O)C1=C(N=C(N1)S)C Z3244375027 [1,1,0,0,0,0|2,0,0]=4 105 B12R1.313 CCOC(=O)C1=C(N=C(O1)C)C Z1198168595 [1,1,0,0,0,0|2,0,0]=4 106 B12R1.313 CCOC(=O)C1=C(N=C(O1)O)C Z2858377153 [1,1,0,0,0,0|2,0,0]=4 107 B12R1.313 CCOC(=O)C1=C(N=C(S1)C)C Z48850645 [1,1,0,0,0,0|2,0,0]=4 108 B12R1.313 CCOC(=O)C1=C(N=C(S1)N)C Z48847590 [1,1,0,0,0,0|2,0,0]=4 109 B12R1.313 CCOC(=O)C1=C(N=C(S1)S)C Z57915898 [1,1,0,0,0,0|2,0,0]=4 110 B12R1.313 CCOC(=O)C1=C(NC(=C1)C)C Z89269601 [1,1,0,0,0,0|1,0,0]=3 111 B12R1.313 CCOC(=O)C1=CC(=NN1C)C Z796916720 [1,1,0,0,0,0|2,0,0]=4 112 B12R1.313 CCOC(=O)C1=CN(C=C1N)C Z2896881017 [1,1,0,0,0,0|2,0,0]=4 113 B12R1.313 CCOC(=O)C1=CN(N=C1N)C Z1198150597 [1,1,0,0,0,0|1,0,0]=3 114 B12R1.316 CCOC(=O)C1=C(N=CN1)CN Z2935556256 [1,1,0,0,0,0|2,0,0]=4 115 B12R1.316 CCOC(=O)C1=C(NC=C1)C=O Z1245788530 [1,1,0,0,0,0|1,0,1]=4 116 B12R1.316 CCOC(=O)C1=C(NN=C1)C=O Z1511811307 [1,1,0,0,0,0|0,0,1]=3 117 B12R1.316 CCOC(=O)C1=C(NN=C1)CN Z5038506236 [1,1,0,0,0,0|0,0,0]=2 118 B12R1.316 CCOC(=O)C1=C(OC=C1)CCl Z56943498 [1,1,0,0,0,0|2,0,0]=4 119 B12R1.316 CCOC(=O)C1=CNC=C1C#N Z1255458925 [1,1,0,0,0,0|1,0,1]=4 120 B12R1.316 CCOC(=O)C1=CNN=C1OC Z1255496136 [1,1,0,0,0,0|0,0,0]=2 121 B12R1.316 CCOC(=O)C1=NNC=C1CO Z1255418054 [1,1,0,0,0,0|2,0,0]=4 122 B12R1.460 CCCOC(=O)C1=C(NN=C1)C Z1229982210 [1,1,0,0,0,0|0,0,0]=2 123 B12R1.1579 CCOC(=O)C1=C(N(N=N1)C)O Z2732510341 [1,1,0,0,0,0|2,0,0]=4 124 B12R1.1579 CCOC(=O)C1=CN=C(N1C)N Z1198269666 [1,1,0,0,0,0|2,0,0]=4 125 B12R1.1579 CCOC(=O)C1=NNC(=C1C)O Z1255397547 [1,1,0,0,0,0|2,0,0]=4 126 B12R1.658 CNC1=C(C(=NS1)C)C(=O)OC Z215268320 [1,1,0,0,0,0|1,0,0]=3 127 B12R1.897 CC1=NNC(=C1C(=O)N(C)C)I Z2732692644 [1,1,0,0,0,0|2,0,0]=4 128 B12R1.3443 CCC(=O)C1=C(N(N=C1C)C)C Z381353536 [1,1,0,0,0,0|0,0,0]=2 129 B12R1.3443 CCC(N)C1=C(N(N=C1C)C)C Z381353568 [1,1,0,0,0,0|1,0,1]=4 130 B12R1.3443 COC(=O)C1=C(N(N=C1C)C)N Z1262682376 [1,1,0,0,0,0|1,0,0]=3 131 B14R1.601 CCOC(=O)C1=C(C=NC(=N1)SC)Cl Z235418328 [0,1,0,0,0,1|2,0,0]=4 132 B14R1.601 CCOC(=O)C1=C(N=CC(=C1)OC)N Z1255398398 [0,1,0,0,0,1|2,0,0]=4 133 B14R1.918 CC1=NN=C(C(=C1)C(=O)NCCF)C Z1975043299 [0,1,0,0,0,1|1,0,1]=4 134 B14R1.7281 CCOC(=O)C1=C(N=NC(=C1C)C)Cl Z2012030786 [0,1,0,0,0,1|1,0,1]=4 135 B14R1.10327 CC1=NNC(=C1CC(=O)NCC#N)C Z1737200694 [0,1,0,0,0,1|1,0,1]=4 136 B14R1.10420 CCOC(=O)C(C)C1=C(NN=C1C)C Z915396366 [0,1,0,0,0,1|0,0,0]=2 137 B14R1.18870 CSCC(=O)NC1=C(N(N=C1C)C)C Z52036581 [0,1,0,0,0,1|2,0,0]=4 138 B14R1.18811 CCOC(=O)C1=C(N=C(C=C1C)C)S Z56887538 [0,1,0,0,0,1|2,0,0]=4 139 B14R1.18811 CCOC(=O)C1=C(N=C(N=C1C)Cl)C Z3244744008 [0,1,0,0,0,1|0,0,1]=3 140 B14R1.18811 CCOC(=O)C1=C(N=C(NC1=O)N)C Z3785493823 [0,1,0,0,0,1|1,0,0]=3 141 B14R1.18811 CCOC(=O)C1=C(NC(=NC1C)S)C Z56799699 [0,1,0,0,0,1|0,0,1]=3 142 B14R1.18811 CCOC(=O)C1=C(NC(=O)N=C1S)C Z2787258018 [0,1,0,0,0,1|1,0,0]=3 143 B14R1.18811 CCOC(=O)C1=C(OC(=O)C=C1C)C Z293099934 [0,1,0,0,0,1|2,0,0]=4 144 B14R1.2540 CCCNC(=O)C1=C(NC=C1CC)C Z3848738108 [0,2,0,0,0,0|2,0,0]=4 145 B14R1.2540 CCCNC(=O)C1=C(SN=C1C)NC Z251599764 [0,2,0,0,0,0|2,0,0]=4 146 B14R1.2540 CCONC(=O)C1=C(SN=C1C)NC Z298853372 [0,2,0,0,0,0|1,0,0]=3 147 B14R1.12618 CNC1=C(C(=NS1)C)C(=O)NC(C)C Z194837274 [0,2,0,0,0,0|2,0,0]=4 148 B14R1.18804 CCOC(=O)C1=C(NC(=C1C=O)Cl)C Z2893925297 [0,2,0,0,0,0|1,0,1]=4 149 B14R1.3032 CC#CCNC(=O)C1=C(NN=C1C)I Z2732692632 [0,2,0,0,0,0|2,0,0]=4 150 B14R1.8285 C#CCNC(=O)C1=C(N(N=C1C)C)C Z253486980 [0,2,0,0,0,0|1,0,1]=4 151 B14R1.8285 CCONC(=O)C1=C(OC(=C1C)C)C Z193289244 [0,2,0,0,0,0|2,0,0]=4 152 B14R1.8961 CCN(C)S(=O)(=O)C1=C(NN=C1C)C Z409028290 [0,2,0,0,0,0|2,0,0]=4 153 B14R1.18805 CCOC(=O)C1=C(NC(=C1C)C=O)C Z89284937 [0,2,0,0,0,0|1,0,0]=3 154 B12R1.31 CCOC(=O)CC1=NNC(=N1)C Z1201624435 [0,0,1,1,0,0|1,0,1]=4 155 B12R1.308 CCOC(=O)C1=C(N=CC=C1)C Z1020694348 [0,0,1,1,0,0|1,0,1]=4 156 B12R2.203 CC1=NNC2=C1C(=O)CCC2 Z57155853 [1,0,0,1,0,0|1,0,0]=3 157 B12R2.229 O=C1CCCCC2=CNC=C12 Z1203820203 [1,0,0,1,0,0|2,0,0]=4 158 B12R2.229 O=C1NCCCC2=C1C=CN2 Z1262566096 [1,0,0,1,0,0|2,0,0]=4 159 B12R2.229 O=C1NCCCC2=C1C=NN2 Z1862024938 [1,0,0,1,0,0|1,0,0]=3 160 B14R2.277 CC1=NNC(=C1C2COCCN2)C Z1416161096 [0,1,0,1,0,0|1,0,1]=4 161 B14R2.4392 CC1=NC=C(O1)C2=C(NN=C2C)C Z2512878045 [0,1,0,1,0,0|1,0,1]=4 162 B12R1.17 CCOC(=O)C1=CC(=NC=C1)Cl Z293052298 [1,0,0,0,0,1|2,0,0]=4 163 B12R1.17 CCOC(=O)C1=CC(=NN=C1)Br Z1862009872 [1,0,0,0,0,1|1,0,1]=4 164 B12R1.17 CCOC(=O)C1=NC(=NC=C1)Cl Z1198176967 [1,0,0,0,0,1|2,0,0]=4 165 B12R1.17 CCOC(=O)C1=NC(=NC=C1)N Z1416184718 [1,0,0,0,0,1|2,0,0]=4 166 B12R1.318 CCOC(=O)CC1=CNNC1=O Z1198175789 [1,0,0,0,0,1|1,0,1]=4 167 B12R1.354 COC(=O)C1=C(C=NC(=C1)F)C Z1255429758 [1,0,0,0,0,1|2,0,0]=4 168 B12R1.354 COC(=O)C1=C(N=CC(=C1)C)Cl Z1198173149 [1,0,0,0,0,1|2,0,0]=4 169 B12R1.354 COC(=O)C1=C(N=CC(=N1)Cl)C Z1813375936 [1,0,0,0,0,1|2,0,0]=4 170 B14R1.18023 CCCC(=O)NCC1=C(ON=C1C)C Z827750616 [0,0,0,0,0,2|2,0,0]=4