0 B5R0.3 Br/C=C(\Br)/CBr S53202 [0,0,0,0,0,0|4,0,0]=4 1 B5R0.3 C/C(=C\Br)/CO S881295 [0,0,0,0,0,0|4,0,0]=4 2 B5R0.3 C/C(=N\O)/CS R262161 [0,0,0,0,0,0|4,0,0]=4 3 B5R0.3 CC(CN)CO CDS010871 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.3 CCC(=O)CO R277614 [0,0,0,0,0,0|3,0,0]=3 5 B5R0.3 CCC(O)CN CDS000624 [0,0,0,0,0,0|2,0,2]=4 6 B5R0.3 CNC(=O)CCl OTV000964 [0,0,0,0,0,0|3,0,0]=3 7 B5R0.3 CNC(=O)NN CDS019843 [0,0,0,0,0,0|3,0,0]=3 8 B5R0.3 CSC(=S)NN PH008635 [0,0,0,0,0,0|2,2,0]=4 9 B5R0.3 Cl/C=C(/Cl)\CCl PH008783 [0,0,0,0,0,0|4,0,0]=4 10 B5R0.3 NCC(Br)CBr R151203 [0,0,0,0,0,0|3,0,1]=4 11 B5R0.3 NCC(CN)N S741841 [0,0,0,0,0,0|3,0,1]=4 12 B4R0.1 C(=O)C(=O)[O-] S573140 [1,0,0,0,0,0|1,0,2]=4 13 B4R0.1 C=C(C)CN CDS003053 [1,0,0,0,0,0|2,0,0]=3 14 B4R0.1 CC(=O)CN CDS020585 [1,0,0,0,0,0|1,0,0]=2 15 B4R0.1 CCB(O)O CDS003542 [1,0,0,0,0,0|2,0,1]=4 16 B4R0.1 CCC(=N)N CBR01339 [1,0,0,0,0,0|3,0,0]=4 17 B4R0.1 CCC(=O)[O-] CDS000543 [1,0,0,0,0,0|1,0,1]=3 18 B4R0.1 CCC(=S)N CDS000328 [1,0,0,0,0,0|2,1,0]=4 19 B4R0.1 CNC(=O)Cl CDS009330 [1,0,0,0,0,0|3,0,0]=4 20 B4R0.1 CSC(=O)C CDS001513 [1,0,0,0,0,0|1,1,0]=3 21 B4R0.1 NCC(F)F CDS002768 [1,0,0,0,0,0|2,0,1]=4 22 B4R0.1 O=C(O)CS CDS000504 [1,0,0,0,0,0|1,0,0]=2 23 B4R0.1 O=C([O-])CO CDS000626 [1,0,0,0,0,0|1,0,1]=3 24 B4R0.1 O=S(O)O[TlH2] S826111 [1,0,0,0,0,0|3,0,0]=4 25 B4R0.2 C=CCCN CDS021978 [1,0,0,0,0,0|2,0,1]=4 26 B4R0.2 N#CCCN CDS007521 [1,0,0,0,0,0|2,0,1]=4 27 B4R0.2 NCCCF CDS007794 [1,0,0,0,0,0|2,0,1]=4 28 B4R0.2 OC/C=C/Br S880973 [1,0,0,0,0,0|3,0,0]=4 29 B4R0.2 SCCCN OTV000791 [1,0,0,0,0,0|2,0,1]=4 30 B6R0.1 CCC(=O)COC CDS024044 [0,1,0,0,0,0|2,0,0]=3 31 B6R0.1 CCC(=O)OCS PH000959 [0,1,0,0,0,0|2,0,0]=3 32 B6R0.1 CCNC(=O)CBr CBR01984 [0,1,0,0,0,0|3,0,0]=4 33 B6R0.1 CCNC(=O)CCl TMT00299 [0,1,0,0,0,0|3,0,0]=4 34 B6R0.1 CCOC(=O)NC PH010865 [0,1,0,0,0,0|3,0,0]=4 35 B6R0.1 CCOC(=O)N[O-] S859273 [0,1,0,0,0,0|3,0,0]=4 36 B6R0.1 CCSC(=O)CC CDS001498 [0,1,0,0,0,0|2,1,0]=4 37 B6R0.1 CNCC(=O)NC CBR00235 [0,1,0,0,0,0|2,0,0]=3 38 B6R0.1 CNCC(=O)OC PH006931 [0,1,0,0,0,0|1,0,0]=2 39 B6R0.1 COC(=O)/C=C\I SYX00331 [0,1,0,0,0,0|2,0,1]=4 40 B6R0.1 COCC(O)CN CDS009718 [0,1,0,0,0,0|1,0,2]=4 41 B6R0.1 [Li]OC(=O)CCC S813958 [0,1,0,0,0,0|2,0,0]=3 42 B6R0.3 CC(C)C(=O)NN CDS003555 [0,1,0,0,0,0|3,0,0]=4 43 B6R0.3 CC(O)C(=O)NN PH018680 [0,1,0,0,0,0|3,0,0]=4 44 B6R0.3 CN(C)C(=O)CBr CDS023710 [0,1,0,0,0,0|3,0,0]=4 45 B6R0.3 CN(C)C(=O)CO CDS023758 [0,1,0,0,0,0|3,0,0]=4 46 B6R0.3 CNC(=O)[C@H](C)N CDS020776 [0,1,0,0,0,0|2,0,0]=3 47 B6R0.3 COC(=O)C(C)N S378909 [0,1,0,0,0,0|1,0,0]=2 48 B6R0.3 O=C(O)C(=O)O[Cs] S366196 [0,1,0,0,0,0|2,0,1]=4 49 B6R0.9 CCC(CN)OC CBR00912 [0,1,0,0,0,0|2,0,1]=4 50 B6R0.9 CCC(CN)OC CDS002072 [0,1,0,0,0,0|2,0,1]=4 51 B6R1.2 O=C1CC=CC1 CDS003851 [0,0,0,1,0,0|3,0,0]=4 52 B6R1.4 CC1CCC1=O CDS021461 [0,0,0,1,0,0|3,0,0]=4 53 B6R1.4 O=C1CCC1=O S869309 [0,0,0,1,0,0|3,0,0]=4 54 B6R1.6 COC1CNC1 CDS006482 [0,0,0,1,0,0|2,0,1]=4 55 B3R0.1 C=CCN CDS000416 [2,0,0,0,0,0|1,0,0]=3 56 B3R0.1 N#CCN R288616 [2,0,0,0,0,0|1,0,1]=4 57 B3R0.1 NCCN S573019 [2,0,0,0,0,0|1,0,1]=4 58 B3R0.2 BC(=O)O R277436 [2,0,0,0,0,0|1,0,0]=3 59 B3R0.2 CC(=O)O R252506 [2,0,0,0,0,0|0,0,0]=2 60 B3R0.2 CC(=O)O R252999 [2,0,0,0,0,0|0,0,0]=2 61 B3R0.2 CS(=O)[O-] S946621 [2,0,0,0,0,0|1,0,1]=4 62 B5R0.1 C=COC(=O)C S458201 [1,1,0,0,0,0|1,0,0]=3 63 B5R0.1 CC(=O)/C=C\N S312274 [1,1,0,0,0,0|1,0,1]=4 64 B5R0.1 CC(=O)CCN OTV000740 [1,1,0,0,0,0|1,0,0]=3 65 B5R0.1 CC(O)CNN CBR01627 [1,1,0,0,0,0|1,0,1]=4 66 B5R0.1 CCOC(=S)N PH003667 [1,1,0,0,0,0|1,1,0]=4 67 B5R0.1 CNCC(=O)C CBR02406 [1,1,0,0,0,0|1,0,0]=3 68 B5R0.1 COCC(=N)N CBR01671 [1,1,0,0,0,0|2,0,0]=4 69 B5R0.1 COCC(=O)N S371874 [1,1,0,0,0,0|1,0,0]=3 70 B5R0.1 CONC(=O)N S802999 [1,1,0,0,0,0|1,0,0]=3 71 B5R0.1 NCCC(=O)N CDS000027 [1,1,0,0,0,0|1,0,0]=3 72 B5R0.1 O=C(O)/C=C/Cl R426903 [1,1,0,0,0,0|1,0,1]=4 73 B5R0.1 O=C(O)/C=C\I PH010791 [1,1,0,0,0,0|1,0,1]=4 74 B5R0.1 O=C(O)C[Hg]Cl S881910 [1,1,0,0,0,0|1,0,0]=3 75 B5R0.4 CC(C)(O)CN CDS007515 [1,1,0,0,0,0|1,0,1]=4 76 B5R0.5 C=C(C)C(=O)C CDS000556 [1,1,0,0,0,0|2,0,0]=4 77 B5R0.5 CC(=O)C(C)F CDS002853 [1,1,0,0,0,0|2,0,0]=4 78 B5R0.5 CC(O)C(=O)[O-] S933260 [1,1,0,0,0,0|1,0,1]=4 79 B5R0.5 O=C(O)C(=O)O S647829 [1,1,0,0,0,0|1,0,1]=4 80 B5R0.2 CCOCCN CDS000379 [1,1,0,0,0,0|1,0,1]=4 81 B7R0.2 CC(C)OC(=O)CS S593931 [0,2,0,0,0,0|2,0,0]=4 82 B7R0.2 CCC(=O)OC(C)C CDS000574 [0,2,0,0,0,0|2,0,0]=4 83 B7R0.2 CN(C)CC(=O)NN CDS000357 [0,2,0,0,0,0|2,0,0]=4 84 B7R0.2 CNC(=O)CC(=N)N CBR01542 [0,2,0,0,0,0|2,0,0]=4 85 B7R0.2 COC(=O)/C=C(/C)\N S613886 [0,2,0,0,0,0|1,0,1]=4 86 B7R0.2 COC(=O)CC(=O)O CDS001491 [0,2,0,0,0,0|2,0,0]=4 87 B7R0.2 COC(=O)CC(C)Cl S559458 [0,2,0,0,0,0|2,0,0]=4 88 B7R0.2 COC(=O)NC(=O)N S876178 [0,2,0,0,0,0|1,0,1]=4 89 B7R0.2 COC(=O)NC(C)C PH006940 [0,2,0,0,0,0|2,0,0]=4 90 B7R0.3 C=CCOC(=O)CBr PH008698 [0,2,0,0,0,0|2,0,0]=4 91 B7R0.3 CCC#CC(=O)OC T242845 [0,2,0,0,0,0|2,0,0]=4 92 B7R0.3 CCCOC(=O)CBr PH011324 [0,2,0,0,0,0|2,0,0]=4 93 B7R0.3 CCCOC(=O)CCl S431443 [0,2,0,0,0,0|2,0,0]=4 94 B7R0.3 CCCOC(=O)CN PH019063 [0,2,0,0,0,0|1,0,0]=3 95 B7R0.3 CCOCC(=O)OC EME00071 [0,2,0,0,0,0|2,0,0]=4 96 B7R0.3 CNCCC(=O)NC CBR01261 [0,2,0,0,0,0|2,0,0]=4 97 B7R0.3 COC(=O)CCC#N S369640 [0,2,0,0,0,0|1,0,1]=4 98 B7R0.3 COCCC(=O)NN CDS018970 [0,2,0,0,0,0|2,0,0]=4 99 B7R0.3 NNC(=O)OCCO S749680 [0,2,0,0,0,0|2,0,0]=4 100 B7R0.5 CCOC(=O)C(Br)Br PH011431 [0,2,0,0,0,0|2,0,0]=4 101 B7R0.5 CCOC(=O)C(C)N CDS015013 [0,2,0,0,0,0|1,0,0]=3 102 B7R0.5 CCOC(=O)N(C)N PH007944 [0,2,0,0,0,0|2,0,0]=4 103 B7R0.5 CN(C)C(=O)CCN CBR00920 [0,2,0,0,0,0|2,0,0]=4 104 B7R0.5 CNCC(=O)N(C)C CDS007544 [0,2,0,0,0,0|2,0,0]=4 105 B7R0.5 COCC(=O)C(C)C CDS024045 [0,2,0,0,0,0|2,0,0]=4 106 B7R0.7 CCOC(=O)CCI T255378 [0,2,0,0,0,0|2,0,0]=4 107 B7R0.7 CCOC(=O)CNC PH000310 [0,2,0,0,0,0|1,0,0]=3 108 B7R0.7 CCOC(=O)CNN CDS009912 [0,2,0,0,0,0|1,0,0]=3 109 B7R0.7 CCOC(=O)NNC PH007943 [0,2,0,0,0,0|2,0,0]=4 110 B7R0.7 CCOC(=O)NOC PH005154 [0,2,0,0,0,0|2,0,0]=4 111 B7R0.10 CNC(C)C(=O)OC CBR01417 [0,2,0,0,0,0|1,0,0]=3 112 B7R0.10 CN[C@@H](C)C(=O)OC CDS015644 [0,2,0,0,0,0|1,0,0]=3 113 B7R0.10 COC(=O)C(=O)NN PH011621 [0,2,0,0,0,0|1,0,1]=4 114 B7R0.10 COC(=O)[C@H](N)CS PH013124 [0,2,0,0,0,0|1,0,0]=3 115 B7R0.16 CC(N)C(=O)N(C)C CBR01336 [0,2,0,0,0,0|2,0,0]=4 116 B5R1.2 O=C1CSC1 SYX00053 [1,0,0,1,0,0|2,0,0]=4 117 B5R1.1 C1=CCNC1 ANV00248 [1,0,0,1,0,0|2,0,0]=4 118 B7R1.1 NCC1=COC=C1 CDS008929 [0,1,0,1,0,0|2,0,0]=4 119 B7R1.1 NCC1=NOC=N1 CDS019857 [0,1,0,1,0,0|2,0,0]=4 120 B7R1.2 CC1COC(=O)C1 PH007953 [0,1,0,1,0,0|2,0,0]=4 121 B7R1.2 CC1COC(=O)N1 CBR01603 [0,1,0,1,0,0|2,0,0]=4 122 B7R1.2 CC1OC(=O)CS1 PH007278 [0,1,0,1,0,0|2,0,0]=4 123 B7R1.2 C[C@H]1COC(=O)N1 ANV00127 [0,1,0,1,0,0|2,0,0]=4 124 B7R1.2 O=C1CC(CO1)O S672874 [0,1,0,1,0,0|2,0,0]=4 125 B7R1.2 O=C1C[C@H](CO1)O CDS000753 [0,1,0,1,0,0|2,0,0]=4 126 B7R1.3 O=C1CCCNC1 CDS006090 [0,1,0,1,0,0|2,0,0]=4 127 B7R1.3 O=C1COCCO1 PH009771 [0,1,0,1,0,0|2,0,0]=4 128 B7R1.3 O=C1NCCCO1 CBR00063 [0,1,0,1,0,0|2,0,0]=4 129 B7R1.3 O=C1OCCCO1 S939668 [0,1,0,1,0,0|2,0,0]=4 130 B7R1.4 NC1CCOC1=O CDS012715 [0,1,0,1,0,0|1,0,0]=3 131 B7R1.4 NC1CCSC1=O S784036 [0,1,0,1,0,0|1,1,0]=4 132 B7R1.4 NN1CCOC1=O S462624 [0,1,0,1,0,0|2,0,0]=4 133 B7R1.4 N[C@H]1CCNC1=O CDS010107 [0,1,0,1,0,0|2,0,0]=4 134 B7R1.22 COC(=O)N1CC1 T175501 [0,1,0,1,0,0|2,0,0]=4