0 B12R1.252 O=C(O)CCCC1=NC=CC=C1 M10649446P [0,0,0,0,0,0|3,0,0]=3 1 B12R1.252 O=C([O-])CCCC1=CC=CC=C1 M10035233P [0,0,0,0,0,0|2,0,0]=2 2 B11R1.28 C=CCNCC1=CC=CC=C1 M10062629P [1,0,0,0,0,0|2,0,1]=4 3 B11R1.28 CCCCNC1=CC=CC=C1 M10027499P [1,0,0,0,0,0|2,0,1]=4 4 B13R1.45 CC(NCC(C1=CC=CC=C1)=O)=O M10037029P [0,1,0,0,0,0|1,0,1]=3 5 B13R1.45 O=C(OCC(C)=O)C1=CC=CC=C1 M10095258P [0,1,0,0,0,0|2,0,1]=4 6 B13R1.149 O=C(O)CCCC1=CC=CC(Br)=C1 M10030446P [0,1,0,0,0,0|2,0,0]=3 7 B13R1.149 O=C(O)CCCC1=CC=CC(N)=C1 M11207867P [0,1,0,0,0,0|2,0,0]=3 8 B13R1.348 O=C(O)CC(N)CC1=CC=CC=C1 M10134951P [0,1,0,0,0,0|2,0,0]=3 9 B13R1.351 CC(C(OCC1=CC=CC=C1)=O)=C M10044631P [0,1,0,0,0,0|3,0,0]=4 10 B13R1.351 O=C(O)C(CCC1=CC=CC=C1)=O M10019213P [0,1,0,0,0,0|2,0,0]=3 11 B13R1.513 O=C(O)CCCC1=CC=C(N)C=C1 M10135059P [0,1,0,0,0,0|2,0,0]=3 12 B13R1.718 O=C(OC)C\N=C\C1=CC=CC=C1 M10420934P [0,1,0,0,0,0|2,0,1]=4 13 B13R2.72 CC(C1=NNC2=C1C=CC=C2)=O M10063932P [0,0,0,1,0,0|3,0,0]=4 14 B13R2.72 O=C(C1CCC2=C1C=CC=C2)N M10221350P [0,0,0,1,0,0|2,0,0]=3 15 B13R2.72 O=C(C1CCC2=C1C=CC=C2)O M10130766P [0,0,0,1,0,0|2,0,0]=3 16 B11R1.91 CN(C)CCC1=CC=CC=C1 M10113667P [0,0,0,0,1,0|2,0,0]=3 17 B11R1.91 O=C(Cl)CSC1=CC=NC=C1 M10197199P [0,0,0,0,1,0|3,0,0]=4 18 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 M10192599P [0,0,0,0,1,0|1,0,0]=2 19 B11R1.91 O=C(O)CCC1=NC=CC=C1 M10135517P [0,0,0,0,1,0|2,0,0]=3 20 B11R1.91 O=C(O)COC1=CC=CC=C1 M10190227P [0,0,0,0,1,0|2,0,0]=3 21 B11R1.91 O=[N+](CCC1=CC=CC=C1)[O-] M10084031P [0,0,0,0,1,0|2,0,0]=3 22 B11R1.91 S\C(N)=N\CC1=CC=CC=C1 M10013542P [0,0,0,0,1,0|2,1,0]=4 23 B13R1.337 O=C(Cl)OCCOC1=CC=CC=C1 M10224839P [0,0,0,0,0,1|1,0,0]=2 24 B13R1.337 O=C(O)CCCCC1=CC=CC=C1 M10041974P [0,0,0,0,0,1|2,0,0]=3 25 B10R1.17 C=CCCC1=CC=CC=C1 M10020323P [2,0,0,0,0,0|0,0,1]=3 26 B10R1.17 CNCCC1=CC=CC=C1 M10060073P [2,0,0,0,0,0|1,0,0]=3 27 B10R1.17 CNCCC1=NC=CC=C1 M10024739P [2,0,0,0,0,0|2,0,0]=4 28 B10R1.17 [C-]#[N+]CCC1=CC=CC=C1 M10309731P [2,0,0,0,0,0|1,0,1]=4 29 B12R1.21 O=C(Cl)COC1=CC=C(Cl)C=C1 M10060252P [0,1,0,0,1,0|2,0,0]=4 30 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 M10034129P [0,1,0,0,1,0|1,0,0]=3 31 B12R1.21 O=C(O)CCC1=CC=C(N)C=C1 M10043302P [0,1,0,0,1,0|1,0,0]=3 32 B12R1.21 O=C(O)CCC1=CC=C(N)N=C1 M10880145P [0,1,0,0,1,0|2,0,0]=4 33 B12R1.21 OC1=CC=C(CCN(C)C)C=C1 M10082964P [0,1,0,0,1,0|2,0,0]=4 34 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(N)=O M10415967P [0,1,0,0,1,0|1,0,0]=3 35 B12R1.43 O=C([O-])C(CC1=CC=CC=C1)=O M10262011P [0,1,0,0,1,0|1,0,1]=4 36 B12R1.107 CC(OC(C1=CC=CC=C1)C)=O M10002262P [0,1,0,0,1,0|0,0,0]=2 37 B12R1.107 CN(C[C@@H](N)C1=CC=CC=C1)C M10942923P [0,1,0,0,1,0|2,0,0]=4 38 B12R1.107 O=C(O)CN(C)C1=CC=CC=C1 M10172364P [0,1,0,0,1,0|2,0,0]=4 39 B12R1.107 O=C(O)CN(C)C1=CC=CC=C1 M10243459P [0,1,0,0,1,0|2,0,0]=4 40 B12R1.125 O=C(Cl)OCC1=CC=CC=C1Cl M10239810P [0,1,0,0,1,0|1,0,0]=3 41 B14R1.818 CC(CC(OCC1=CC=CC=C1)=O)=O M10072642P [0,1,0,0,0,1|1,0,1]=4 42 B14R1.818 O=C(C)CC(NCC1=CC=CC=C1)=O M12060215P [0,1,0,0,0,1|1,0,1]=4 43 B14R1.6449 N[C@@H](CNCC1=CC=CC=C1)C(O)=O M10709404P [0,1,0,0,0,1|2,0,0]=4 44 B14R1.425 O=C(O)[C@@H](O)[C@H](N)CC1=CC=CC=C1 M10308118P [0,2,0,0,0,0|2,0,0]=4 45 B14R1.756 C[C@H](NCC1=CC=CC=C1)C(OC)=O M10161045P [0,2,0,0,0,0|2,0,0]=4 46 B14R1.13 O=C(OC)CCCC1=CC=C(N)C=C1 M10166747P [0,2,0,0,0,0|1,0,0]=3 47 B14R1.520 O=C(OCC)CNCC1=CC=CC=C1 M10090848P [0,2,0,0,0,0|2,0,0]=4 48 B12R2.41 C12=CC=CC=C1CCCNC2 M10102516P [1,0,0,1,0,0|2,0,0]=4 49 B12R2.41 C12=CC=CC=C1CCCNC2 M10151219P [1,0,0,1,0,0|2,0,0]=4 50 B12R2.41 C12=CC=CC=C1CCNCC2 M10063070P [1,0,0,1,0,0|1,0,1]=4 51 B12R2.1081 CC1NCCC2=C1C=CC=C2 M10678709P [1,0,0,1,0,0|1,0,1]=4 52 B12R2.1081 CC1NCCC2=C1C=CC=C2 M11192517P [1,0,0,1,0,0|1,0,1]=4 53 B12R2.1081 CN1CCCC2=C1C=CC=C2 M11192453P [1,0,0,1,0,0|2,0,0]=4 54 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 M12277889P [1,0,0,1,0,0|1,0,1]=4 55 B12R2.1081 C[C@H]1NCCC2=C1C=CC=C2 M12277888P [1,0,0,1,0,0|1,0,1]=4 56 B12R2.1081 O=C1CCCC2=C1C=NC=C2 M10172395P [1,0,0,1,0,0|2,0,0]=4 57 B12R2.1081 O=C1CCNC2=C1C=CC=C2 M10061767P [1,0,0,1,0,0|2,0,0]=4 58 B12R2.1081 O=C1COCC2=C1C=CC=C2 M10168044P [1,0,0,1,0,0|2,0,0]=4 59 B12R2.1081 O=C1NCCC2=C1C=CC=C2 M10028879P [1,0,0,1,0,0|1,0,0]=3 60 B12R2.1081 O=C1NCCC2=C1N=CC=C2 M10854246P [1,0,0,1,0,0|2,0,0]=4 61 B12R2.24 CC1NC2=C(C=CC=C2)CC1 M10036158P [0,0,0,1,1,0|1,0,1]=4 62 B12R2.24 NC1CC2=C(C=CC=C2)CC1 M10049516P [0,0,0,1,1,0|1,0,1]=4 63 B12R2.24 O=C1OCC2=C(C=CC=C2)C1 M10062650P [0,0,0,1,1,0|0,0,0]=2 64 B12R2.3190 O=C(C1C2=CC=CC=C2C1)O M10130765P [0,0,0,1,1,0|1,0,0]=3 65 B14R2.19 O=C1CN(CC2=CC=CC=C2)CC1 M10025236P [0,0,0,1,0,1|1,0,0]=3 66 B14R2.19 S=C1OC[C@@H](CC2=CC=CC=C2)N1 M10821511P [0,0,0,1,0,1|1,1,0]=4 67 B14R2.19 S=C1OC[C@H](CC2=CC=CC=C2)N1 M10768680P [0,0,0,1,0,1|1,1,0]=4 68 B14R2.21 O=C1C=C(C2=CC=CC=C2)CCC1 M10114322P [0,0,0,1,0,1|1,0,1]=4 69 B14R2.21 O=C1CC(C2=CC=CC=C2)CCC1 M10167473P [0,0,0,1,0,1|1,0,0]=3 70 B14R2.21 O=C1NC(C2=CC=CC=C2)CCC1 M10245848P [0,0,0,1,0,1|2,0,0]=4 71 B14R2.31359 O=C(C1NCCC2=C1C=CC=C2)O M10244716P [0,0,0,1,0,1|2,0,0]=4 72 B14R2.31359 O=C(O)[C@@H]1CCCC2=C1C=CC=C2 M10179519P [0,0,0,1,0,1|2,0,0]=4 73 B14R2.31359 O=C([C@@H]1NCCC2=C1C=CC=C2)O M10776402P [0,0,0,1,0,1|2,0,0]=4 74 B14R2.25733 O=C1CN(C(C)=O)C2=C1C=CC=C2 M10145210P [0,1,0,1,0,0|1,0,1]=4 75 B14R2.390 O=C1CCCC2=CC=CC(F)=C2N1 M11104358P [0,1,0,1,0,0|2,0,0]=4 76 B14R2.8053 O=C(C1CCC2=C1C(Cl)=CC=C2)O M12277893P [0,1,0,1,0,0|2,0,0]=4 77 B14R2.781 O=C(C1CCC2=C(O1)C=CC=C2)O M10262611P [0,1,0,1,0,0|2,0,0]=4 78 B14R2.598 O=C1O[C@H](C2=CC=CC=C2)[C@H](C)N1 M10141652P [0,1,0,1,0,0|2,0,0]=4 79 B14R2.20 O=C1NCC(C2=CC=C(Cl)C=C2)C1 M10175543P [0,1,0,1,0,0|1,0,0]=3 80 B14R2.5816 O=C(C1CCC2=C1C=C(Cl)C=C2)O M10266226P [0,1,0,1,0,0|2,0,0]=4 81 B10R1.18 CC(CC1=NC=CC=C1)=O M10087968P [0,0,0,0,2,0|1,0,0]=3 82 B10R1.18 CC(O)CC1=CC=CC=C1 M10018807P [0,0,0,0,2,0|0,0,2]=4 83 B10R1.18 CC(O)CC1=CC=CC=C1 M10133834P [0,0,0,0,2,0|0,0,2]=4 84 B10R1.18 CC(OC1=CC=CC=C1)C M10047209P [0,0,0,0,2,0|1,0,1]=4 85 B10R1.18 C[C@@H](O)CC1=CC=CC=C1 M10032962P [0,0,0,0,2,0|0,0,2]=4 86 B10R1.18 C[C@H](O)CC1=CC=CC=C1 M10032105P [0,0,0,0,2,0|0,0,2]=4 87 B10R1.18 O=C([O-])CC1=CC=CC=C1 M10003981P [0,0,0,0,2,0|1,0,0]=3 88 B10R1.18 O=C([O-])CC1=CC=CC=C1 M10119708P [0,0,0,0,2,0|1,0,0]=3 89 B10R1.18 S=C(Cl)OC1=CC=CC=C1 M10025007P [0,0,0,0,2,0|1,1,0]=4 90 B10R1.66 O=C(O)CCC1=CC=CN1 M10875523P [0,0,0,0,2,0|2,0,0]=4 91 B14R1.422 O=C(O)CCCOCC1=CC=CC=C1 M10114663P [0,0,0,0,0,2|2,0,0]=4