0 B7R0.4 CCCCCC(C)=O BBL011381 [0,0,0,0,0,0|0,0,0]=0 1 B7R0.4 CCCCOC(=O)Cl BBL011392 [0,0,0,0,0,0|2,0,0]=2 2 B7R0.4 CCCOCC(=O)O BBL008506 [0,0,0,0,0,0|2,0,0]=2 3 B7R0.4 CCC\C=C/C(=O)O BBL029832 [0,0,0,0,0,0|1,0,2]=3 4 B7R0.4 NCCCCC(=O)O BBL027702 [0,0,0,0,0,0|2,0,0]=2 5 B6R0.4 C=CCCC(=O)O BBL027458 [1,0,0,0,0,0|1,0,2]=4 6 B6R0.4 CC(=O)CCCCl BBL010617 [1,0,0,0,0,0|1,0,0]=2 7 B6R0.4 CC(=O)NCCN BBL027688 [1,0,0,0,0,0|2,0,0]=3 8 B6R0.4 CCCCC(=O)Cl BBL012216 [1,0,0,0,0,0|1,0,0]=2 9 B6R0.4 CCCCC(C)=O BBL011434 [1,0,0,0,0,0|0,0,0]=1 10 B6R0.4 CN(C)CCCO BBL011401 [1,0,0,0,0,0|3,0,0]=4 11 B6R0.4 CNCCC(N)=O BBL023425 [1,0,0,0,0,0|2,0,0]=3 12 B6R0.4 NCCCC(=O)O BBL008590 [1,0,0,0,0,0|2,0,0]=3 13 B6R0.4 O=C(Cl)CCCCl BBL011409 [1,0,0,0,0,0|2,0,0]=3 14 B6R0.6 BrCCCCCBr BBL012205 [1,0,0,0,0,0|2,0,1]=4 15 B6R0.6 CCCCCCBr BBL012217 [1,0,0,0,0,0|1,0,1]=3 16 B6R0.6 CCCCCCI BBL011465 [1,0,0,0,0,0|1,0,1]=3 17 B6R0.6 CCCCCCN BBL011106 [1,0,0,0,0,0|1,0,1]=3 18 B6R0.6 CCCCN=C=O BBL027371 [1,0,0,0,0,0|1,0,1]=3 19 B6R0.6 CCCCOC=O BBL012218 [1,0,0,0,0,0|1,0,0]=2 20 B6R0.6 CCCNCCC BBL027756 [1,0,0,0,0,0|1,0,1]=3 21 B6R0.6 CCOCCCN BBL027700 [1,0,0,0,0,0|2,0,1]=4 22 B6R0.6 NCCCCCN BBL027704 [1,0,0,0,0,0|2,0,1]=4 23 B8R0.5 CCOC(=O)CC(=O)O BBL011139 [0,1,0,0,0,0|2,0,1]=4 24 B8R0.5 CCOC(=O)CC(C)=O BBL012204 [0,1,0,0,0,0|1,0,1]=3 25 B8R0.6 CCCCCC(=O)CC BBL011431 [0,1,0,0,0,0|0,0,0]=1 26 B8R0.6 CCCCCC(=O)NN BBL014328 [0,1,0,0,0,0|1,0,0]=2 27 B8R0.6 COC(=O)CCN=C=O BBL029020 [0,1,0,0,0,0|2,0,1]=4 28 B8R0.6 COCCNC(=O)CN BBL030590 [0,1,0,0,0,0|2,0,0]=3 29 B8R0.7 CC(C)CNCCCO BBL030005 [0,1,0,0,0,0|2,0,1]=4 30 B8R0.7 CCCCCCC(C)=O BBL011429 [0,1,0,0,0,0|0,0,0]=1 31 B8R0.7 CCCNCCC(N)=O BBL024551 [0,1,0,0,0,0|1,0,0]=2 32 B8R0.7 CCCS\C=C/C(=O)[O-] BBL033998 [0,1,0,0,0,0|1,0,2]=4 33 B8R0.7 O=C(O)CCCCCBr BBL012109 [0,1,0,0,0,0|1,0,0]=2 34 B8R0.8 CCCCC(Br)C(=O)O BBL011383 [0,1,0,0,0,0|1,0,0]=2 35 B8R0.8 CCCCC(N)C(=O)O BBL011583 [0,1,0,0,0,0|1,0,0]=2 36 B8R0.8 CCCOC(C)C(=O)O BBL008505 [0,1,0,0,0,0|2,0,0]=3 37 B8R0.8 CSCCC(N)C(=O)O BBL009323 [0,1,0,0,0,0|2,0,0]=3 38 B8R0.9 COC(=O)CCC(C)=O BBL011529 [0,1,0,0,0,0|1,0,1]=3 39 B8R0.28 CC(=O)CCC=C(C)C BBL027733 [0,1,0,0,0,0|0,0,2]=3 40 B8R0.28 CC(C)CCOC(=S)[S-] BBL011341 [0,1,0,0,0,0|2,1,0]=4 41 B8R0.28 CC(C)CNCC(C)O BBL030081 [0,1,0,0,0,0|1,0,2]=4 42 B8R0.28 CC(O)CNCC(C)O BBL013266 [0,1,0,0,0,0|1,0,2]=4 43 B8R0.28 CN(C)CCCC(=O)O BBL011871 [0,1,0,0,0,0|2,0,0]=3 44 B8R1.1 O=C1NCC(CCl)O1 BBL027510 [0,0,0,1,0,0|3,0,0]=4 45 B8R1.4 CC1CCCC(=O)C1 BBL013179 [0,0,0,1,0,0|0,0,0]=1 46 B8R1.4 CC1CCNC(C)C1 BBL038129 [0,0,0,1,0,0|2,0,1]=4 47 B8R1.4 CN1CCCC(O)C1 BBL027590 [0,0,0,1,0,0|1,0,2]=4 48 B8R1.7 CC(C)C1CCCN1 BBL020618 [0,0,0,1,0,0|2,0,1]=4 49 B8R1.7 CC(N)C1CCCO1 BBL037392 [0,0,0,1,0,0|2,0,1]=4 50 B8R1.7 NC(=O)C1CCCN1 BBL010815 [0,0,0,1,0,0|2,0,0]=3 51 B8R1.7 O=C(O)C1CCCO1 BBL001404 [0,0,0,1,0,0|2,0,0]=3 52 B8R1.7 O=C(O)C1NCCS1 BBL034715 [0,0,0,1,0,0|3,0,0]=4 53 B8R1.7 S=C([S-])N1CCCC1 BBL033985 [0,0,0,1,0,0|2,1,0]=4 54 B8R1.22 CN1CCCNCC1 BBL004956 [0,0,0,1,0,0|3,0,0]=4 55 B8R1.22 NC1=NCCCCC1 BBL012958 [0,0,0,1,0,0|2,0,0]=3 56 B8R1.22 O=C1CCCCCO1 BBL011394 [0,0,0,1,0,0|1,0,0]=2 57 B8R1.35 CC(C)NCC1CC1 BBL023213 [0,0,0,1,0,0|2,0,1]=4 58 B5R0.1 C=C(C)CCO BBL027415 [2,0,0,0,0,0|2,0,0]=4 59 B5R0.1 CC(=O)CCO BBL028076 [2,0,0,0,0,0|1,0,0]=3 60 B5R0.1 CCCC(=O)Cl BBL011417 [2,0,0,0,0,0|1,0,0]=3 61 B5R0.1 CCCC(C)O BBL011460 [2,0,0,0,0,0|0,0,2]=4 62 B5R0.1 CCC[N+](=O)[O-] BBL011437 [2,0,0,0,0,0|2,0,0]=4 63 B5R0.1 CCOC(=O)Cl BBL011487 [2,0,0,0,0,0|2,0,0]=4 64 B5R0.1 CNCC(=O)O BBL009707 [2,0,0,0,0,0|2,0,0]=4 65 B5R0.1 CNCC(N)=O BBL011928 [2,0,0,0,0,0|2,0,0]=4 66 B5R0.1 COCC(=O)Cl BBL027308 [2,0,0,0,0,0|2,0,0]=4 67 B5R0.1 CSCC(C)=O BBL100878 [2,0,0,0,0,0|1,0,0]=3 68 B5R0.1 NC(=O)CCCl BBL011453 [2,0,0,0,0,0|2,0,0]=4 69 B5R0.1 NCCC(=O)O BBL037332 [2,0,0,0,0,0|2,0,0]=4 70 B5R0.1 O=C(Cl)CCBr BBL011521 [2,0,0,0,0,0|2,0,0]=4 71 B5R0.1 O=C(O)CCCl BBL012215 [2,0,0,0,0,0|2,0,0]=4 72 B5R0.2 BrCCCCBr BBL027293 [2,0,0,0,0,0|2,0,0]=4 73 B5R0.2 CCCCC=O BBL027632 [2,0,0,0,0,0|0,0,0]=2 74 B5R0.2 CCCCCN BBL011398 [2,0,0,0,0,0|1,0,0]=3 75 B5R0.2 CCNCCO BBL027409 [2,0,0,0,0,0|1,0,1]=4 76 B5R0.2 CCOCCBr BBL013472 [2,0,0,0,0,0|2,0,0]=4 77 B5R0.2 CNCCCN BBL011479 [2,0,0,0,0,0|2,0,0]=4 78 B5R0.2 COCCCN BBL011597 [2,0,0,0,0,0|2,0,0]=4 79 B5R0.2 NCCCCN BBL027703 [2,0,0,0,0,0|2,0,0]=4 80 B7R0.2 CNC(C)CC(N)=O BBL024637 [1,1,0,0,0,0|2,0,0]=4 81 B7R0.2 COC(=O)CC(C)=O BBL011420 [1,1,0,0,0,0|1,0,1]=4 82 B7R0.3 CCCCC(=O)CC BBL011476 [1,1,0,0,0,0|0,0,0]=2 83 B7R0.3 CCCCC(=O)NN BBL027902 [1,1,0,0,0,0|1,0,0]=3 84 B7R0.3 CCOCC(=O)NN BBL023356 [1,1,0,0,0,0|2,0,0]=4 85 B7R0.3 CNC(=O)CCCN BBL022745 [1,1,0,0,0,0|1,0,0]=3 86 B7R0.3 CNCCC(=O)NC BBL023441 [1,1,0,0,0,0|1,0,0]=3 87 B7R0.3 COC(=O)CCCCl BBL011535 [1,1,0,0,0,0|1,0,0]=3 88 B7R0.3 NNC(=O)CCCO BBL009673 [1,1,0,0,0,0|2,0,0]=4 89 B7R0.5 CC(=O)N(C)CCO BBL003665 [1,1,0,0,0,0|2,0,0]=4 90 B7R0.5 CCOC(=O)C(C)=O BBL027737 [1,1,0,0,0,0|1,0,1]=4 91 B7R0.6 CC(=O)CCC(=O)O BBL027404 [1,1,0,0,0,0|1,0,1]=4 92 B7R0.6 CC(=O)CCC(C)=O BBL027731 [1,1,0,0,0,0|0,0,1]=3 93 B7R0.6 CC(=O)CCN(C)C BBL013551 [1,1,0,0,0,0|1,0,0]=3 94 B7R0.6 CC(=O)\C=C\C(C)C BBL027791 [1,1,0,0,0,0|0,0,2]=4 95 B7R0.6 CC(C)COC(=O)Cl BBL011424 [1,1,0,0,0,0|2,0,0]=4 96 B7R0.6 CC(C)OCC(=O)O BBL031299 [1,1,0,0,0,0|2,0,0]=4 97 B7R0.1 C=CCCCCCC BBL027759 [1,1,0,0,0,0|0,0,1]=3 98 B7R0.1 CCCCCCCI BBL027321 [1,1,0,0,0,0|0,0,1]=3 99 B7R0.1 CCCCCN=C=S BBL027805 [1,1,0,0,0,0|0,1,1]=4 100 B7R0.1 COCCCN=C=O BBL037672 [1,1,0,0,0,0|1,0,1]=4 101 B7R0.1 NCCCCCCN BBL027705 [1,1,0,0,0,0|1,0,1]=4 102 B7R0.7 CCCC(=O)CCC BBL009715 [1,1,0,0,0,0|0,0,2]=4 103 B7R0.7 CCCC(N)CCC BBL003306 [1,1,0,0,0,0|0,0,1]=3 104 B9R0.34 CCOC(=O)CC(=O)CCl BBL027317 [0,2,0,0,0,0|1,0,1]=4 105 B9R0.34 COCC(=O)CC(=O)OC BBL027775 [0,2,0,0,0,0|1,0,1]=4 106 B9R0.34 COCC(C)NC(=O)CCl BBL034879 [0,2,0,0,0,0|2,0,0]=4 107 B9R0.53 CC(=O)CC(=O)OC(C)C BBL027993 [0,2,0,0,0,0|1,0,1]=4 108 B9R0.1 CCC(C)NCCC(N)=O BBL024550 [0,2,0,0,0,0|1,0,0]=3 109 B9R0.1 COC(=O)CCNC(C)C BBL036837 [0,2,0,0,0,0|1,0,0]=3 110 B9R0.8 CCCCN(C)C(=O)CCl BBL006028 [0,2,0,0,0,0|1,0,0]=3 111 B9R0.8 COC(=O)C(N)CCSC BBL010083 [0,2,0,0,0,0|1,0,0]=3 112 B9R0.46 CCCCCCC(=O)NN BBL037406 [0,2,0,0,0,0|1,0,0]=3 113 B9R0.46 CCCCCCC(=O)OC BBL011469 [0,2,0,0,0,0|0,0,0]=2 114 B9R0.47 C=C(C)C(=O)OCCCC BBL011464 [0,2,0,0,0,0|1,0,0]=3 115 B9R0.47 CCNCCC(N)C(=O)O BBL009900 [0,2,0,0,0,0|1,0,0]=3 116 B9R0.47 NCCCCC(N)C(=O)O BBL002414 [0,2,0,0,0,0|1,0,0]=3 117 B9R0.2 CCCCCCCC(=O)Cl BBL011405 [0,2,0,0,0,0|1,0,0]=3 118 B9R0.2 CCCCCCCC(C)=O BBL011435 [0,2,0,0,0,0|0,0,0]=2 119 B9R0.2 NC(=O)CCNCCCO BBL022949 [0,2,0,0,0,0|1,0,0]=3 120 B9R0.48 CCOC(=O)CCC(C)=O BBL009708 [0,2,0,0,0,0|0,0,1]=3 121 B9R0.55 O=C(O)CCCCC(=O)O BBL011615 [0,2,0,0,0,0|1,0,1]=4 122 B9R0.13 CCCCC(CC)C(=O)Cl BBL011414 [0,2,0,0,0,0|1,0,0]=3 123 B9R0.43 CCN(CC)CCC(=O)O BBL030473 [0,2,0,0,0,0|2,0,0]=4 124 B7R1.2 CC1CCC(=O)O1 BBL011475 [1,0,0,1,0,0|1,0,0]=3 125 B7R1.2 CC1COC(=O)O1 BBL027518 [1,0,0,1,0,0|2,0,0]=4 126 B7R1.2 O=C1CCC(=O)C1 BBL011146 [1,0,0,1,0,0|1,0,1]=4 127 B7R1.3 NN1CCCCC1 BBL027587 [1,0,0,1,0,0|2,0,0]=4 128 B7R1.3 O=C1CCCCN1 BBL027557 [1,0,0,1,0,0|1,0,0]=3 129 B7R1.3 O=C1CCOCC1 BBL027597 [1,0,0,1,0,0|1,0,0]=3 130 B7R1.3 OC1CCCCC1 BBL013186 [1,0,0,1,0,0|0,0,2]=4 131 B7R1.7 CCCCC1CO1 BBL011099 [1,0,0,1,0,0|0,0,2]=4 132 B7R1.14 O=[SH+]1(=[O-])CCCC1 BBL033862 [1,0,0,1,0,0|2,0,0]=4 133 B7R1.18 O=C(O)C1CNC1 BBL101508 [1,0,0,1,0,0|2,0,0]=4 134 B7R1.1 CNC1CCSC1 BBL035010 [1,0,0,1,0,0|2,0,0]=4 135 B7R1.4 NC1CCOC1=O BBL027998 [1,0,0,1,0,0|2,0,0]=4 136 B7R1.4 NC1CCSC1=O BBL028068 [1,0,0,1,0,0|2,0,0]=4 137 B9R1.13 O=C(O)CN1CCCC1 BBL012295 [0,1,0,1,0,0|1,0,0]=3 138 B9R1.34 CC1CC(=O)CC(=O)C1 BBL036984 [0,1,0,1,0,0|0,0,1]=3 139 B9R1.34 CC1CC(=O)OC(=O)C1 BBL027601 [0,1,0,1,0,0|1,0,1]=4 140 B9R1.38 CC1CC(C)S(=O)(=O)C1 BBL027528 [0,1,0,1,0,0|2,0,0]=4 141 B9R1.66 CC1(C)CC(=O)CCO1 BBL010566 [0,1,0,1,0,0|1,0,0]=3 142 B9R1.1 CCC1CCC(N)CC1 BBL017866 [0,1,0,1,0,0|1,0,1]=4 143 B9R1.1 CCN1CCC(=O)CC1 BBL011452 [0,1,0,1,0,0|1,0,0]=3 144 B9R1.2 CN1CCCC(CO)C1 BBL027592 [0,1,0,1,0,0|2,0,0]=4 145 B9R1.5 O=C1NCCCCC1Br BBL029752 [0,1,0,1,0,0|1,0,0]=3 146 B9R1.11 CNC(=O)[C@@H]1CCCN1 BBL033606 [0,1,0,1,0,0|1,0,0]=3 147 B9R1.11 NCC(=O)N1CCCC1 BBL030890 [0,1,0,1,0,0|1,0,0]=3 148 B9R1.11 NNC(=O)C1CCCC1 BBL017250 [0,1,0,1,0,0|1,0,0]=3 149 B9R1.11 NNC(=O)C1CCCO1 BBL029618 [0,1,0,1,0,0|2,0,0]=4 150 B9R1.11 N\C(=N/O)C1CCCC1 BBL036570 [0,1,0,1,0,0|1,0,1]=4 151 B9R1.50 O=C1CCCCCCC1 BBL011399 [0,1,0,1,0,0|0,0,0]=2 152 B9R1.6 CC(C)C1CCCCN1 BBL021290 [0,1,0,1,0,0|1,0,1]=4 153 B9R1.6 CC(N)C1CCCCN1 BBL037755 [0,1,0,1,0,0|1,0,1]=4 154 B9R1.6 NC(=O)C1CCCCN1 BBL030368 [0,1,0,1,0,0|1,0,0]=3 155 B9R1.6 O=C(Cl)N1CCOCC1 BBL027926 [0,1,0,1,0,0|2,0,0]=4 156 B9R1.83 CCCCCCC1CO1 BBL027501 [0,1,0,1,0,0|0,0,2]=4 157 B9R1.83 CCCCOCC1CO1 BBL010943 [0,1,0,1,0,0|0,0,2]=4 158 B9R1.35 O=C(O)C1CC(O)CN1 BBL001541 [0,1,0,1,0,0|2,0,0]=4 159 B9R1.133 CNC1CCS(=O)(=O)C1 BBL028057 [0,1,0,1,0,0|2,0,0]=4 160 B9R1.133 NCC1CCS(=O)(=O)C1 BBL034860 [0,1,0,1,0,0|2,0,0]=4