0 B14R0.392 C=CCCCCCCCCCCCCC SBB015112 [0,0,0,0,0,0|1,0,1]=2 1 B14R0.392 CCCCCCCCCCCCCC#N SBB061688 [0,0,0,0,0,0|1,0,1]=2 2 B14R0.392 CCCCCCCCCCCCCCBr SBB059942 [0,0,0,0,0,0|1,0,0]=1 3 B14R0.392 CCCCCCCCCCCCCCCl SBB059961 [0,0,0,0,0,0|1,0,0]=1 4 B14R0.392 CCCCCCCCCCCCCCN SBB059989 [0,0,0,0,0,0|1,0,0]=1 5 B14R0.392 CCCCCCCCCCCCCCO SBB060166 [0,0,0,0,0,0|0,0,0]=0 6 B14R0.392 CCCCCCCCCCCCCCS SBB060133 [0,0,0,0,0,0|0,1,0]=1 7 B14R0.392 CCCCCCCCCCCCN=C=S SBB061301 [0,0,0,0,0,0|1,1,1]=3 8 B14R0.392 CCCCCCCCCCCCNCC SBB059805 [0,0,0,0,0,0|2,0,0]=2 9 B14R0.392 CCCCCCCCCCCCSCC SBB061292 [0,0,0,0,0,0|2,0,0]=2 10 B14R0.392 CCCCCCCCCCCNCCC SBB059806 [0,0,0,0,0,0|2,0,0]=2 11 B14R0.392 CCCCCCCCCCCOCCO SBB061507 [0,0,0,0,0,0|1,0,0]=1 12 B14R0.392 CCCCCCCCCCOCCC#N SBB060055 [0,0,0,0,0,0|2,0,1]=3 13 B14R0.392 CCCCCCCCCNCCCCC SBB059807 [0,0,0,0,0,0|2,0,0]=2 14 B14R0.392 CCCCCCCCNCCCCCC SBB059809 [0,0,0,0,0,0|2,0,0]=2 15 B14R0.392 CCCCCCCCOCCOCCO SBB060180 [0,0,0,0,0,0|2,0,0]=2 16 B14R0.392 CCCCCCCCOCCOCCS SBB056736 [0,0,0,0,0,0|2,1,0]=3 17 B14R0.392 CCCCCCCCSCCOCCO SBB057123 [0,0,0,0,0,0|2,0,0]=2 18 B14R0.392 CCCCCCCNCCCCCCC SBB059808 [0,0,0,0,0,0|2,0,0]=2 19 B14R0.392 CCCCCCCOCCCCCCC SBB061311 [0,0,0,0,0,0|2,0,0]=2 20 B14R0.392 CCCCCCCSCCCCCCC SBB060113 [0,0,0,0,0,0|2,0,0]=2 21 B14R0.392 CCCCOCCOCCOCCCC SBB060899 [0,0,0,0,0,0|4,0,0]=4 22 B14R0.392 CCCCSCCOCCSCCCC SBB061094 [0,0,0,0,0,0|4,0,0]=4 23 B14R0.392 [NH2+](C)CCCCCCCCCCCCC SBB059858 [0,0,0,0,0,0|2,0,0]=2 24 B14R0.392 [NH2+](CC)CCCCCCCCCCCC SBB061635 [0,0,0,0,0,0|2,0,0]=2 25 B14R0.392 [NH2+](CCC)CCCCCCCCCCC SBB059842 [0,0,0,0,0,0|2,0,0]=2 26 B14R0.392 [NH2+](CCCCC)CCCCCCCCC SBB059857 [0,0,0,0,0,0|2,0,0]=2 27 B13R0.336 BrCCCCCCCCCCCCBr SBB060824 [1,0,0,0,0,0|2,0,0]=3 28 B13R0.336 C=CCCCCCCCCCCCC SBB008940 [1,0,0,0,0,0|0,0,2]=3 29 B13R0.336 C=CCSCCCCCCCCCC SBB061595 [1,0,0,0,0,0|1,0,2]=4 30 B13R0.336 CCCCCCCCCCCCC#N SBB016935 [1,0,0,0,0,0|1,0,1]=3 31 B13R0.336 CCCCCCCCCCCCCCl SBB059960 [1,0,0,0,0,0|1,0,0]=2 32 B13R0.336 CCCCCCCCCCCCCN SBB070384 [1,0,0,0,0,0|1,0,0]=2 33 B13R0.336 CCCCCCCCCCCCCO SBB080806 [1,0,0,0,0,0|0,0,0]=1 34 B13R0.336 CCCCCCCCCCNCCC SBB059835 [1,0,0,0,0,0|1,0,0]=2 35 B13R0.336 CCCCCCCCCCNCCO SBB059780 [1,0,0,0,0,0|1,0,0]=2 36 B13R0.336 CCCCCCCCCCOCCCl SBB060221 [1,0,0,0,0,0|2,0,0]=3 37 B13R0.336 CCCCCCCCCCOCCO SBB060175 [1,0,0,0,0,0|1,0,0]=2 38 B13R0.336 CCCCCCCCCCSCCO SBB019381 [1,0,0,0,0,0|1,0,0]=2 39 B13R0.336 CCCCCCCOCCOCCCl SBB056726 [1,0,0,0,0,0|3,0,0]=4 40 B13R0.336 CCCCCCCSCCOCCO SBB060446 [1,0,0,0,0,0|2,0,0]=3 41 B13R0.336 CCCCCCSSCCCCCC SBB061209 [1,0,0,0,0,0|2,0,0]=3 42 B13R0.336 CCCCNCCOCCOCCO SBB057105 [1,0,0,0,0,0|3,0,0]=4 43 B13R0.336 CCCCOCCOCCOCCO SBB059923 [1,0,0,0,0,0|3,0,0]=4 44 B13R0.336 CCCCSCCOCCOCCO SBB056692 [1,0,0,0,0,0|3,0,0]=4 45 B13R0.336 ClCCCCCCCCCCCCCl SBB060823 [1,0,0,0,0,0|2,0,0]=3 46 B13R0.336 N(C)CCCCCCCCCCCC SBB058820 [1,0,0,0,0,0|1,0,0]=2 47 B13R0.336 NCCCCCCCCCCCCN SBB058723 [1,0,0,0,0,0|2,0,0]=3 48 B13R0.336 OCCCCCCCCCCCCO SBB060740 [1,0,0,0,0,0|1,0,0]=2 49 B13R0.336 [NH2+](CCCC)CCCCCCCCC SBB061638 [1,0,0,0,0,0|1,0,0]=2 50 B15R0.70 C=CCCCCCCCCCCCCCC SBB008801 [0,1,0,0,0,0|1,0,0]=2 51 B15R0.70 CCCCCCCCCCCCNCCC SBB059837 [0,1,0,0,0,0|1,0,0]=2 52 B15R0.70 CCCCCCCCCCCCNCCO SBB059781 [0,1,0,0,0,0|0,0,0]=1 53 B15R0.70 CCCCCCCCCCCCOCCCl SBB060222 [0,1,0,0,0,0|1,0,0]=2 54 B15R0.70 CCCCCCCCCCCCOCCO SBB060176 [0,1,0,0,0,0|0,0,0]=1 55 B15R0.70 CCCCCCCCCCCCSCCN SBB061579 [0,1,0,0,0,0|1,0,0]=2 56 B15R0.70 CCCCCCCCCCCCSCCO SBB019395 [0,1,0,0,0,0|0,0,0]=1 57 B15R0.70 CCCCCCCCCCCNCCCC SBB059821 [0,1,0,0,0,0|1,0,0]=2 58 B15R0.70 CCCCCCCCCCCNCCCO SBB056516 [0,1,0,0,0,0|0,0,0]=1 59 B15R0.70 CCCCCCCCCOCCOCCCl SBB061500 [0,1,0,0,0,0|2,0,0]=3 60 B15R0.70 CCCCCCCCNCCOCCOC SBB056701 [0,1,0,0,0,0|2,0,0]=3 61 B15R0.70 CCCCCCCSSCCCCCCC SBB061208 [0,1,0,0,0,0|2,0,0]=3 62 B15R0.70 CCCCCCOCCOCCOCCO SBB060182 [0,1,0,0,0,0|2,0,0]=3 63 B15R0.70 CCCCCCSCCOCCOCCO SBB056690 [0,1,0,0,0,0|2,0,0]=3 64 B15R0.70 [NH2+](CCC)CCCCCCCCCCCC SBB059838 [0,1,0,0,0,0|1,0,0]=2 65 B15R0.70 [NH2+](CCCC)CCCCCCCCCCC SBB061640 [0,1,0,0,0,0|1,0,0]=2 66 B15R0.81 CCCCCCCCCCCCC(Br)CBr SBB060501 [0,1,0,0,0,0|1,0,0]=2 67 B15R0.81 CCCCCCCCCCCCC(Cl)CCl SBB060508 [0,1,0,0,0,0|1,0,0]=2 68 B15R0.133 CCCCCCCN(C)CCCCCCC SBB061492 [0,1,0,0,0,0|2,0,0]=3 69 B15R0.149 CCCCCCCCN(C)CCOCCO SBB056673 [0,1,0,0,0,0|2,0,0]=3 70 B15R0.164 CCCCCCCCCCCCCC(=O)Cl SBB058688 [0,1,0,0,0,0|0,0,2]=3 71 B15R0.164 CCCCCCCCCCCCCC(=O)O SBB060024 [0,1,0,0,0,0|0,0,1]=2 72 B15R0.164 CCCCCCCCCCCCCC(N)=O SBB061050 [0,1,0,0,0,0|0,0,2]=3 73 B15R0.164 CCCCCCCCCCCCNC(N)=O SBB007955 [0,1,0,0,0,0|1,0,2]=4 74 B15R0.164 CCCCCCCCCCCCOC(C)=O SBB060308 [0,1,0,0,0,0|1,0,2]=4 75 B15R0.164 CCCCCCCCCCCCSC(=N)N SBB051618 [0,1,0,0,0,0|2,0,1]=4 76 B15R0.164 CCCCCCCCCCCOCC(=O)O SBB061423 [0,1,0,0,0,0|1,0,1]=3 77 B15R0.164 CCCCCCCCCCSCCC(=O)O SBB001708 [0,1,0,0,0,0|1,0,1]=3 78 B15R0.164 CCCCCCCCSCCCCC(=O)O SBB001710 [0,1,0,0,0,0|1,0,1]=3 79 B15R0.164 CCCCCCCSCCCCCC(=O)O SBB061388 [0,1,0,0,0,0|1,0,1]=3 80 B15R0.366 CCCCCCCCCCCC(=O)OCC SBB061073 [0,1,0,0,0,0|2,0,1]=4 81 B15R1.35 CCCCCCCCNC1CCCCC1 SBB059773 [0,0,0,1,0,0|2,0,0]=3 82 B15R1.35 OCCOCCOCCN1CCCCC1 SBB056720 [0,0,0,1,0,0|3,0,0]=4 83 B15R1.9199 CCCCCCCCCCCCC1CO1 SBB061568 [0,0,0,1,0,0|0,0,0]=1 84 B15R1.9199 CCCCOCCOCCOCC1CO1 SBB056865 [0,0,0,1,0,0|3,0,0]=4 85 B12R0.5 C=CCCCCCCCCCCC SBB009033 [2,0,0,0,0,0|0,0,2]=4 86 B12R0.5 CCC#CCCCCCCCCO SBB008814 [2,0,0,0,0,0|0,0,2]=4 87 B12R0.5 CCCCCCCCCCCC=O SBB059874 [2,0,0,0,0,0|0,0,2]=4 88 B12R0.5 CCCCCCCCCCCCBr SBB059941 [2,0,0,0,0,0|1,0,0]=3 89 B12R0.5 CCCCCCCCCCCCCl SBB059959 [2,0,0,0,0,0|1,0,0]=3 90 B12R0.5 CCCCCCCCCCCCF SBB090835 [2,0,0,0,0,0|1,0,0]=3 91 B12R0.5 CCCCCCCCCCCCN SBB007640 [2,0,0,0,0,0|1,0,0]=3 92 B12R0.5 CCCCCCCCCCCCN SBB059988 [2,0,0,0,0,0|1,0,0]=3 93 B12R0.5 CCCCCCCCCCCCO SBB008734 [2,0,0,0,0,0|0,0,0]=2 94 B12R0.5 CCCCCCCCCCCCS SBB060132 [2,0,0,0,0,0|0,1,0]=3 95 B12R0.5 CCCCCCCCCCCNC SBB059830 [2,0,0,0,0,0|1,0,0]=3 96 B12R0.5 CCCCCCCCCSCCO SBB019265 [2,0,0,0,0,0|1,0,0]=3 97 B12R0.5 CCCCCCCCNCCCC SBB059768 [2,0,0,0,0,0|1,0,0]=3 98 B12R0.5 CCCCCCCCNCCOC SBB059794 [2,0,0,0,0,0|2,0,0]=4 99 B12R0.5 CCCCCCNCCCCCC SBB059818 [2,0,0,0,0,0|1,0,0]=3 100 B12R0.5 CCCCCCOCCCCCC SBB061195 [2,0,0,0,0,0|1,0,0]=3 101 B12R0.5 CCCCCCOCCOCCO SBB060179 [2,0,0,0,0,0|2,0,0]=4 102 B12R0.5 CCCCCCSCCCCCC SBB061018 [2,0,0,0,0,0|1,0,0]=3 103 B12R0.5 NCCCCCCCCCCCC SBB003344 [2,0,0,0,0,0|1,0,0]=3 104 B12R0.5 OCCCCCCCCCCCBr SBB061556 [2,0,0,0,0,0|1,0,0]=3 105 B12R0.5 [NH2+](CCCC)CCCCCCCC SBB061639 [2,0,0,0,0,0|1,0,0]=3 106 B14R0.145 CCCCCCC(C)OCCOCCO SBB061603 [1,1,0,0,0,0|2,0,0]=4 107 B14R0.337 CCCCCCCCCCCC(=O)OC SBB058684 [1,1,0,0,0,0|1,0,1]=4 108 B14R0.337 CCCCCCCCCCCC(Cl)CCl SBB060214 [1,1,0,0,0,0|1,0,0]=3 109 B14R0.337 CCCCCCCCCCOC(=O)CC SBB056766 [1,1,0,0,0,0|1,0,1]=4 110 B14R0.393 CCCCCCCCCCN(C)CCO SBB061606 [1,1,0,0,0,0|1,0,0]=3 111 B14R0.393 CCCCCCCCCCS(=O)CCO SBB001718 [1,1,0,0,0,0|1,0,0]=3 112 B14R0.394 CCCCCCCCCCCCC(=O)O SBB069518 [1,1,0,0,0,0|0,0,1]=3 113 B14R0.394 CCCCCCCCCCCCN(C)C SBB059992 [1,1,0,0,0,0|1,0,0]=3 114 B14R0.394 CCCCCCCCCCCOC(C)=O SBB060587 [1,1,0,0,0,0|1,0,1]=4 115 B14R0.394 NCCCCCCCCCCCC(=O)O SBB058890 [1,1,0,0,0,0|1,0,1]=4 116 B14R0.394 O=C(O)CCCCCCCCCCCBr SBB061618 [1,1,0,0,0,0|1,0,1]=4 117 B14R0.394 O=C(O)CCCCCCCCCCCO SBB061512 [1,1,0,0,0,0|1,0,1]=4 118 B14R0.394 [NH+](C)(C)CCCCCCCCCCCC SBB061538 [1,1,0,0,0,0|1,0,0]=3 119 B16R0.221 CCCCCCCCCCCCCC(=O)NN SBB056978 [0,2,0,0,0,0|0,0,2]=4 120 B16R0.221 CCCCCCCCCCCCCC(=O)OC SBB058686 [0,2,0,0,0,0|0,0,1]=3 121 B16R0.221 CCCCCCCCCCCCNC(=O)CCl SBB056860 [0,2,0,0,0,0|1,0,1]=4 122 B16R0.221 CCCCCCCCCCCCOC(=O)CBr SBB060036 [0,2,0,0,0,0|1,0,1]=4 123 B16R0.221 CCCCCCCCCCCCOC(=O)CCl SBB060035 [0,2,0,0,0,0|1,0,1]=4 124 B16R0.274 CCCCCCCCCCCCCCN(C)C SBB059993 [0,2,0,0,0,0|1,0,0]=3 125 B16R0.303 C#CCCCCCCCCCCCCCCC SBB008775 [0,2,0,0,0,0|1,0,0]=3 126 B16R0.303 CCCCCCCCC#CCCCCCCO SBB008792 [0,2,0,0,0,0|0,0,0]=2 127 B16R0.303 CCCCCCCCCCCCCCCC=O SBB062944 [0,2,0,0,0,0|0,0,1]=3 128 B16R0.303 CCCCCCCCCCCCCCCCBr SBB059943 [0,2,0,0,0,0|1,0,0]=3 129 B16R0.303 CCCCCCCCCCCCCCCCCl SBB059962 [0,2,0,0,0,0|1,0,0]=3 130 B16R0.303 CCCCCCCCCCCCCCCCN SBB040889 [0,2,0,0,0,0|1,0,0]=3 131 B16R0.303 CCCCCCCCCCCCCCCCO SBB060167 [0,2,0,0,0,0|0,0,0]=2 132 B16R0.303 CCCCCCCCCCCCCCCCS SBB066559 [0,2,0,0,0,0|0,1,0]=3 133 B16R0.303 CCCCCCCCCCCCNCCC#N SBB059817 [0,2,0,0,0,0|1,0,0]=3 134 B16R0.303 CCCCCCCCCCCCOCCC#N SBB060056 [0,2,0,0,0,0|1,0,0]=3 135 B16R0.303 CCCCCCCCCCCCOCCCN SBB056552 [0,2,0,0,0,0|1,0,0]=3 136 B16R0.303 CCCCCCCCCCOCCOCCCl SBB060223 [0,2,0,0,0,0|1,0,0]=3 137 B16R0.303 CCCCCCCCCCOCCOCCO SBB059922 [0,2,0,0,0,0|0,0,0]=2 138 B16R0.303 CCCCCCCCCCSCCOCCO SBB060447 [0,2,0,0,0,0|0,0,0]=2 139 B16R0.303 CCCCCCCCNCCCCCCCC SBB059804 [0,2,0,0,0,0|1,0,0]=3 140 B16R0.303 CCCCCCCCOCCCCCCCC SBB060060 [0,2,0,0,0,0|1,0,0]=3 141 B16R0.303 CCCCCCCCSCCCCCCCC SBB060668 [0,2,0,0,0,0|1,0,0]=3 142 B16R0.303 CCCCCCCOCCOCCOCCCl SBB061566 [0,2,0,0,0,0|2,0,0]=4 143 B16R0.303 CCCCCCCOCCOCCOCCO SBB060183 [0,2,0,0,0,0|1,0,0]=3 144 B16R0.303 CCCCCCCSCCOCCOCCO SBB061067 [0,2,0,0,0,0|1,0,0]=3 145 B16R0.303 CCCCOCCOCCOCCOCCO SBB061250 [0,2,0,0,0,0|2,0,0]=4 146 B16R0.303 [NH2+](CCCC)CCCCCCCCCCCC SBB061644 [0,2,0,0,0,0|1,0,0]=3 147 B16R0.661 CCCCCCCCCCCC(=O)OCCC SBB060037 [0,2,0,0,0,0|1,0,1]=4 148 B16R0.222 CCCCCCCCCCCCN(CC)CC SBB060799 [0,2,0,0,0,0|2,0,0]=4 149 B16R0.3292 CCCCCCCCCCCCC(C)(O)CC SBB061331 [0,2,0,0,0,0|1,0,0]=3 150 B16R0.3292 CCCCCCCCCCCC[N+](C)(C)CC SBB061602 [0,2,0,0,0,0|2,0,0]=4 151 B14R1.123 CCCCCCCCN1CCCCC1 SBB061044 [1,0,0,1,0,0|1,0,0]=3 152 B14R1.123 CCCCCCCCN1CCOCC1 SBB061036 [1,0,0,1,0,0|2,0,0]=4 153 B14R1.123 CCCCCCCNC1CCCCC1 SBB059772 [1,0,0,1,0,0|1,0,0]=3 154 B14R1.221 CCCCCCOCCOCC1CO1 SBB061529 [1,0,0,1,0,0|2,0,0]=4 155 B16R1.643 CCCCCCCCCCN1CCCCC1 SBB056820 [0,1,0,1,0,0|1,0,0]=3 156 B16R1.643 CCCCCCCCCCN1CCOCC1 SBB061037 [0,1,0,1,0,0|2,0,0]=4 157 B16R1.8816 OC1CCCCCCCCCCCCCC1 SBB071438 [0,1,0,1,0,0|0,0,0]=2 158 B16R1.18167 CC(=O)CC1CCCCCCCCCCC1 SBB001534 [0,1,0,1,0,0|0,0,2]=4 159 B16R2.71 O[C@@H]1CCCC[C@H]1CNC2CCCCC2 SBB016966 [0,0,0,2,0,0|1,0,0]=3 160 B16R2.98 OCCC1CNCCN1C2CCCCC2 SBB080577 [0,0,0,2,0,0|2,0,0]=4 161 B16R2.172 OCC1CCCCC1CN2CCNCC2 SBB080050 [0,0,0,2,0,0|2,0,0]=4 162 B16R2.5334 C1CCCN(CCC2CCCCN2)CC1 SBB015006 [0,0,0,2,0,0|2,0,0]=4