0 B9R1.35 C=C1CCC(C(=O)O)C1 CS-0748655 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.35 CC(=O)N1CCC(=O)C1 CS-0137794 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.35 CC(C)[C@@H]1CCC(=O)N1 CS-0098336 [0,0,0,0,0,0|2,0,1]=3 3 B9R1.35 CC1=NOC(C(=O)O)C1 CS-0205702 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.35 NC(=O)C1CCC(=O)N1 CS-0130439 [0,0,0,0,0,0|1,0,0]=1 5 B9R1.35 NC1=NN=C(C(=O)O)N1 CS-0186755 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 CS-0086849 [0,0,0,0,0,0|2,0,1]=3 7 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 CS-0183313 [0,0,0,0,0,0|2,0,1]=3 8 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 CS-0447648 [0,0,0,0,0,0|3,0,1]=4 9 B9R1.35 O=C(O)C1=CN=C(S)N1 CS-0309010 [0,0,0,0,0,0|1,1,2]=4 10 B9R1.35 O=C(O)C1=NC=C(Br)N1 CS-0642243 [0,0,0,0,0,0|2,0,2]=4 11 B9R1.35 O=C(O)C1=NN=C(Cl)N1 CS-0018995 [0,0,0,0,0,0|3,0,1]=4 12 B9R1.35 O=C(O)C1CC(F)CN1 CS-0472753 [0,0,0,0,0,0|3,0,1]=4 13 B9R1.35 O=C(O)C1CC(O)CN1 CS-0454925 [0,0,0,0,0,0|2,0,2]=4 14 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 CS-0001911 [0,0,0,0,0,0|3,0,1]=4 15 B9R1.35 O=C(O)[C@@H]1C[C@H](S)CN1 CS-0053409 [0,0,0,0,0,0|2,1,1]=4 16 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 CS-0055610 [0,0,0,0,0,0|3,0,1]=4 17 B9R1.35 O=C1CC(C(=O)O)CS1 CS-0184651 [0,0,0,0,0,0|2,0,0]=2 18 B9R1.35 O=C1CNC(C(=O)O)C1 CS-0050785 [0,0,0,0,0,0|2,0,0]=2 19 B9R1.35 O=C1N[C@H](C(=O)O)CO1 CS-0099760 [0,0,0,0,0,0|1,0,0]=1 20 B8R1.1 CCC1CCC(=O)C1 CS-0206422 [1,0,0,0,0,0|2,0,1]=4 21 B8R1.1 N#CC1CCC(=O)C1 CS-0035459 [1,0,0,0,0,0|2,0,1]=4 22 B8R1.1 O=C1CCC(CI)N1 CS-0511747 [1,0,0,0,0,0|1,0,1]=3 23 B8R1.1 O=C1CC[C@H](CO)O1 CS-0046919 [1,0,0,0,0,0|1,0,1]=3 24 B8R1.1 O=C1C[C@@H](CO)CN1 CS-0471469 [1,0,0,0,0,0|2,0,1]=4 25 B8R1.1 O=C1NCC(CO)N1 CS-1009826 [1,0,0,0,0,0|1,0,1]=3 26 B8R1.7 CC(=O)C1CCNC1 CS-0207520 [1,0,0,0,0,0|3,0,0]=4 27 B8R1.7 CC(=O)C1CCNC1 CS-0208656 [1,0,0,0,0,0|3,0,0]=4 28 B8R1.7 CC(=O)C1NCCS1 CS-0043804 [1,0,0,0,0,0|2,0,1]=4 29 B8R1.7 CC(=O)C1NCCS1 CS-0466140 [1,0,0,0,0,0|2,0,1]=4 30 B8R1.7 NC(=O)C1CCCO1 CS-0149957 [1,0,0,0,0,0|2,0,1]=4 31 B8R1.7 NC(=O)C1CCNC1 CS-0048721 [1,0,0,0,0,0|3,0,0]=4 32 B8R1.7 NC(=O)C1CCNC1 CS-W022947 [1,0,0,0,0,0|3,0,0]=4 33 B8R1.7 NC(=O)C1CCOC1 CS-0048761 [1,0,0,0,0,0|3,0,0]=4 34 B8R1.7 NC(=O)[C@@H]1CCCO1 CS-0875166 [1,0,0,0,0,0|2,0,1]=4 35 B8R1.7 NC(=O)[C@@H]1CCNC1 CS-0007633 [1,0,0,0,0,0|3,0,0]=4 36 B8R1.7 NC(=O)[C@H]1CCNC1 CS-0053781 [1,0,0,0,0,0|3,0,0]=4 37 B8R1.7 O=C(O)C1CCCN1 CS-0249243 [1,0,0,0,0,0|0,0,1]=2 38 B8R1.7 O=C(O)C1COCN1 CS-0166789 [1,0,0,0,0,0|1,0,1]=3 39 B10R1.14 COC(=O)C1=CC(=O)CC1 CS-0150822 [0,1,0,0,0,0|1,0,1]=3 40 B10R1.14 COC(=O)C1=CSC(=O)N1 CS-0966874 [0,1,0,0,0,0|1,0,2]=4 41 B10R1.14 COC(=O)C1COC(=O)N1 CS-0462854 [0,1,0,0,0,0|1,0,0]=2 42 B10R1.14 COC(=O)C1CSC(C)=N1 CS-0654837 [0,1,0,0,0,0|2,0,1]=4 43 B10R1.14 COC(=O)[C@@H]1CCC(S)=N1 CS-0036085 [0,1,0,0,0,0|0,1,1]=3 44 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 CS-0049304 [0,1,0,0,0,0|1,0,0]=2 45 B10R1.14 COC(=O)[C@H]1CCC(=O)O1 CS-0560212 [0,1,0,0,0,0|1,0,0]=2 46 B10R1.14 COC(=O)[C@H]1CC[C@@H](O)C1 CS-0784761 [0,1,0,0,0,0|1,0,2]=4 47 B10R1.14 NNC(=O)C1CCC(=O)N1 CS-0239433 [0,1,0,0,0,0|1,0,0]=2 48 B10R1.14 O=C1CCC(C(=O)O[Na])N1 CS-0112985 [0,1,0,0,0,0|0,0,0]=1 49 B10R1.55 O=C1CCC(C(F)(F)F)N1 CS-0463598 [0,1,0,0,0,0|2,0,1]=4 50 B10R1.55 O=C1CC[C@H](C(F)(F)F)N1 CS-0612263 [0,1,0,0,0,0|2,0,1]=4 51 B10R1.58 CN1CC(C(N)=O)CC1=O CS-0037505 [0,1,0,0,0,0|3,0,0]=4 52 B10R1.194 CN1C(=O)CCC1C(=O)O CS-0161786 [0,1,0,0,0,0|0,0,0]=1 53 B10R1.359 CC1(C)NC(C(=O)O)CS1 CS-0309005 [0,1,0,0,0,0|2,0,1]=4 54 B10R1.359 O=C(O)C1CCS(=O)(=O)C1 CS-0060828 [0,1,0,0,0,0|2,0,0]=3 55 B10R1.359 O=C(O)C1CCS(=O)(=O)N1 CS-W023143 [0,1,0,0,0,0|1,0,0]=2 56 B10R1.470 C[C@]1(C(=O)O)CCC(=O)N1 CS-0506147 [0,1,0,0,0,0|0,0,0]=1 57 B8R0.8 C=CCSC(C)C(=O)O CS-0667226 [0,0,1,0,0,0|3,0,0]=4 58 B8R0.8 CC#CCC(N)C(=O)O CS-0235011 [0,0,1,0,0,0|1,0,2]=4 59 B8R0.8 CCCCC(N)C(N)=O CS-0616070 [0,0,1,0,0,0|2,0,1]=4 60 B8R0.8 CCOC[C@H](N)C(=O)O CS-0237212 [0,0,1,0,0,0|2,0,1]=4 61 B8R0.8 CCSC[C@H](N)C(=O)O CS-0539175 [0,0,1,0,0,0|2,0,1]=4 62 B8R0.8 COCCC(N)C(=O)O CS-0065907 [0,0,1,0,0,0|2,0,0]=3 63 B8R0.8 NCCC[C@H](N)C(=O)O CS-0201664 [0,0,1,0,0,0|1,0,1]=3 64 B8R0.8 NOCCC(N)C(=O)O CS-1020981 [0,0,1,0,0,0|2,0,0]=3 65 B8R0.9 CCC(=O)NCC(C)C CS-0152594 [0,0,1,0,0,0|2,0,1]=4 66 B8R0.9 CCC(C)CCC(=O)O CS-0199329 [0,0,1,0,0,0|2,0,1]=4 67 B8R0.9 CCC(C)OCC(=O)O CS-0223500 [0,0,1,0,0,0|2,0,1]=4 68 B8R0.9 CCN(C)CCC(=O)O CS-0217514 [0,0,1,0,0,0|3,0,0]=4 69 B8R0.9 CCS(=O)CCC(=O)O CS-0334302 [0,0,1,0,0,0|2,0,0]=3 70 B8R0.9 CC\C(C)=C\CC(=O)O CS-W022219 [0,0,1,0,0,0|2,0,0]=3 71 B8R0.9 CNC(=O)CCC(=O)O CS-0231377 [0,0,1,0,0,0|2,0,0]=3 72 B8R0.9 CNC(=O)\C=C\C(=O)O CS-0526179 [0,0,1,0,0,0|2,0,1]=4 73 B8R0.9 NCC(=O)CCC(=O)O CS-1045786 [0,0,1,0,0,0|2,0,0]=3 74 B8R0.9 O=C(O)CCC(=O)NO CS-0158394 [0,0,1,0,0,0|3,0,0]=4 75 B8R0.9 O=C(O)CNC(=O)CCl CS-0201686 [0,0,1,0,0,0|1,0,0]=2 76 B8R0.15 C=CCC(CC)C(=O)O CS-0240003 [0,0,1,0,0,0|2,0,0]=3 77 B8R0.15 CCC(NC=O)C(=O)O CS-0201565 [0,0,1,0,0,0|0,0,0]=1 78 B8R0.23 C=C(C)C[C@@H](N)C(=O)O CS-0504381 [0,0,1,0,0,0|3,0,0]=4 79 B8R0.23 C=C(C)C[C@H](N)C(=O)O CS-0040778 [0,0,1,0,0,0|3,0,0]=4 80 B8R0.23 C=C(NC(C)=O)C(=O)O CS-W011122 [0,0,1,0,0,0|0,0,2]=3 81 B8R0.23 CC(=O)CC(C)C(=O)O CS-0054789 [0,0,1,0,0,0|1,0,0]=2 82 B8R0.23 CC(=O)NC(C)C(C)=O CS-0199981 [0,0,1,0,0,0|1,0,0]=2 83 B8R0.23 CC(=O)N[C@@H](C)C(N)=O CS-0333964 [0,0,1,0,0,0|1,0,0]=2 84 B8R0.23 CC(=O)OC(C)C(C)=O CS-W013436 [0,0,1,0,0,0|2,0,0]=3 85 B8R0.23 CC(NC(N)=O)C(=O)O CS-0307440 [0,0,1,0,0,0|1,0,0]=2 86 B8R0.23 C[C@H](CC(=O)O)C(=O)O CS-0200145 [0,0,1,0,0,0|2,0,0]=3 87 B8R0.23 C[C@H](NC(N)=O)C(=O)O CS-0235093 [0,0,1,0,0,0|1,0,0]=2 88 B8R0.23 O=C(O)C[C@H](Br)C(=O)O CS-0571726 [0,0,1,0,0,0|3,0,0]=4 89 B8R0.28 C=C(C)CCCC(=O)O CS-0235951 [0,0,1,0,0,0|2,0,0]=3 90 B8R0.28 CC(=O)CCOC(C)=O CS-0155058 [0,0,1,0,0,0|3,0,0]=4 91 B8R0.28 CC(C)CCCC(=O)O CS-0096310 [0,0,1,0,0,0|2,0,1]=4 92 B8R0.28 NC(=O)CCC[N+](=O)[O-] CS-0512902 [0,0,1,0,0,0|1,0,1]=3 93 B8R0.28 NC(=O)CNCC(N)=O CS-0257143 [0,0,1,0,0,0|2,0,0]=3 94 B8R0.28 NC(=O)CSCC(=O)O CS-0246637 [0,0,1,0,0,0|1,0,0]=2 95 B8R0.28 O=C([O-])CCCC(=O)[O-] CS-0445047 [0,0,1,0,0,0|1,0,1]=3 96 B10R2.357 [C@@H]12C[C@@H](C(=O)O)N[C@@H]1C2 CS-0217803 [0,0,0,1,0,0|1,0,1]=3 97 B8R1.23 CC(C)C1CC(=O)N1 CS-0185257 [0,0,0,0,1,0|2,0,1]=4 98 B8R1.23 NC1CC(C(=O)O)C1 CS-0051537 [0,0,0,0,1,0|2,0,1]=4 99 B8R1.23 O=C(O)C1CC(Br)C1 CS-0309921 [0,0,0,0,1,0|2,0,1]=4 100 B8R1.23 O=C(O)C1CC(O)C1 CS-W019144 [0,0,0,0,1,0|1,0,2]=4 101 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 CS-0047788 [0,0,0,0,1,0|2,0,1]=4 102 B8R1.31 CC1CCC1C(=O)O CS-0308594 [0,0,0,0,1,0|1,0,1]=3 103 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O CS-0053427 [0,0,0,0,1,0|2,0,1]=4 104 B8R1.31 C[C@H]1NC[C@@H]1C(=O)O CS-0650067 [0,0,0,0,1,0|2,0,1]=4 105 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O CS-0047827 [0,0,0,0,1,0|1,0,1]=3 106 B8R1.31 O=C(O)C1CCC1F CS-0184829 [0,0,0,0,1,0|1,0,1]=3 107 B10R1.13 C=C1CCC(C(=O)O)CC1 CS-0539468 [0,0,0,0,0,1|2,0,0]=3 108 B10R1.13 CC(=O)C1CC=C(C)CC1 CS-0033709 [0,0,0,0,0,1|3,0,0]=4 109 B10R1.13 CC1CCC(C(=O)O)CN1 CS-0341431 [0,0,0,0,0,1|1,0,1]=3 110 B10R1.13 C[C@H]1CC[C@@H](C(=O)O)CC1 CS-0114192 [0,0,0,0,0,1|2,0,1]=4 111 B10R1.13 NC1CCC(C(=O)O)CC1 CS-0874947 [0,0,0,0,0,1|2,0,1]=4 112 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 CS-0049682 [0,0,0,0,0,1|2,0,1]=4 113 B10R1.13 O=C(O)C1CCC(O)CN1 CS-0138318 [0,0,0,0,0,1|0,0,2]=3 114 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CN1 CS-0058630 [0,0,0,0,0,1|0,0,2]=3 115 B10R1.13 O=C1CNC(C(=O)O)CN1 CS-0134030 [0,0,0,0,0,1|1,0,0]=2 116 B10R1.54 CC1=NN(CC(=O)O)CC1 CS-0335309 [0,0,0,0,0,1|2,0,1]=4 117 B10R1.54 CN1CCC(CC(=O)O)C1 CS-0416183 [0,0,0,0,0,1|3,0,0]=4 118 B10R1.113 CC1CCCC(C(=O)O)N1 CS-0152681 [0,0,0,0,0,1|1,0,1]=3 119 B10R1.113 CC1CNCC(C(=O)O)O1 CS-0196867 [0,0,0,0,0,1|2,0,1]=4 120 B10R1.113 CN1CCCC(C(=O)O)C1 CS-0151094 [0,0,0,0,0,1|3,0,0]=4 121 B10R1.113 CN1CCC[C@@H](C(=O)O)C1 CS-0056390 [0,0,0,0,0,1|3,0,0]=4 122 B10R1.113 CN1CCNC(C(=O)O)C1 CS-0360470 [0,0,0,0,0,1|3,0,0]=4 123 B10R1.113 C[C@@H]1CCN[C@@H](C(=O)O)C1 CS-W006639 [0,0,0,0,0,1|2,0,1]=4 124 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 CS-0143878 [0,0,0,0,0,1|2,0,1]=4 125 B10R1.113 O=C(O)C1CNCC(O)C1 CS-0199619 [0,0,0,0,0,1|1,0,2]=4 126 B10R1.113 O=C(O)[C@@H]1CCC[C@H](O)C1 CS-0053614 [0,0,0,0,0,1|1,0,2]=4 127 B10R1.113 O=C(O)[C@@H]1CCC[C@H](O)C1 CS-0913611 [0,0,0,0,0,1|1,0,2]=4 128 B10R1.113 O=C(O)[C@@H]1C[C@@H](O)CCN1 CS-0472619 [0,0,0,0,0,1|1,0,2]=4 129 B10R1.113 O=C(O)[C@@H]1C[C@H](O)CCN1 CS-0271905 [0,0,0,0,0,1|1,0,2]=4 130 B10R1.113 O=C(O)[C@H]1CCC[C@@H](O)C1 CS-0053564 [0,0,0,0,0,1|1,0,2]=4 131 B10R1.113 O=C(O)[C@H]1C[C@@H](O)CCN1 CS-0443853 [0,0,0,0,0,1|1,0,2]=4 132 B10R1.113 O=C(O)[C@H]1C[C@H](O)CCN1 CS-0472620 [0,0,0,0,0,1|1,0,2]=4 133 B10R1.113 O=C1C=NC=C(C(=O)O)N1 CS-0005515 [0,0,0,0,0,1|0,0,3]=4 134 B10R1.113 O=C1CCC[C@H](C(=O)O)C1 CS-0438370 [0,0,0,0,0,1|1,0,0]=2 135 B7R0.3 C#CCNC(=O)CC CS-0225175 [1,0,1,0,0,0|1,0,1]=4 136 B7R0.3 C=CCCC(=O)CC CS-0253493 [1,0,1,0,0,0|2,0,0]=4 137 B7R0.3 C=CCNC(=O)CCl CS-0309272 [1,0,1,0,0,0|2,0,0]=4 138 B7R0.3 CCC(=O)NCCN CS-0697791 [1,0,1,0,0,0|1,0,1]=4 139 B7R0.3 CCC(=O)NCCO CS-0449194 [1,0,1,0,0,0|0,0,1]=3 140 B7R0.4 C#CCCCC(N)=O CS-0759267 [1,0,1,0,0,0|1,0,1]=4 141 B7R0.4 C=CCNCC(=O)O CS-0170873 [1,0,1,0,0,0|2,0,0]=4 142 B7R0.4 C=CCSCC(=O)O CS-0216467 [1,0,1,0,0,0|2,0,0]=4 143 B7R0.4 CCOCCC(=O)O CS-0216898 [1,0,1,0,0,0|2,0,0]=4 144 B7R0.4 CCSCCC(=O)O CS-0249654 [1,0,1,0,0,0|2,0,0]=4 145 B7R0.4 CSCCCC(=O)O CS-0261815 [1,0,1,0,0,0|2,0,0]=4 146 B7R0.4 NC(=O)CCCCO CS-0236568 [1,0,1,0,0,0|0,0,1]=3 147 B7R0.4 NC(=O)CSCCO CS-0328374 [1,0,1,0,0,0|1,0,1]=4 148 B7R0.4 NC(=O)NCCCO CS-0261419 [1,0,1,0,0,0|1,0,1]=4 149 B7R0.4 NCCCCC(=O)O CS-0214159 [1,0,1,0,0,0|0,0,1]=3 150 B7R0.4 NCCCCC(N)=O CS-0112084 [1,0,1,0,0,0|1,0,1]=4 151 B7R0.4 NCCOCC(=O)O CS-0162340 [1,0,1,0,0,0|1,0,1]=4 152 B7R0.4 O=CNCCC(=O)O CS-0512115 [1,0,1,0,0,0|1,0,0]=3 153 B7R0.5 C#CCC(N)C(=O)O CS-0043990 [1,0,1,0,0,0|0,0,2]=4 154 B7R0.5 C=CC[C@@H](N)C(=O)O CS-0020004 [1,0,1,0,0,0|0,0,1]=3 155 B7R0.5 CC(CCN)C(=O)O CS-0308023 [1,0,1,0,0,0|2,0,0]=4 156 B7R0.5 CC(NC=O)C(=O)O CS-0201634 [1,0,1,0,0,0|0,0,0]=2 157 B7R0.5 CCCC(Br)C(=O)O CS-0622324 [1,0,1,0,0,0|1,0,1]=4 158 B7R0.5 CCCC(O)C(=O)O CS-0062341 [1,0,1,0,0,0|1,0,1]=4 159 B7R0.5 CCC[C@H](N)C(N)=O CS-0120151 [1,0,1,0,0,0|1,0,1]=4 160 B7R0.5 CCOC(C)C(=O)O CS-0136065 [1,0,1,0,0,0|1,0,1]=4 161 B7R0.5 CNCC(C)C(=O)O CS-0216874 [1,0,1,0,0,0|2,0,0]=4 162 B7R0.5 COCC(C)C(=O)O CS-0737187 [1,0,1,0,0,0|2,0,0]=4 163 B7R0.5 CSCC(C)C(=O)O CS-0259419 [1,0,1,0,0,0|2,0,0]=4 164 B7R0.5 C[C@H](NC=O)C(=O)O CS-0201635 [1,0,1,0,0,0|0,0,0]=2 165 B7R0.5 NCCC(N)C(=O)O CS-0521573 [1,0,1,0,0,0|1,0,0]=3 166 B7R0.5 NCC[C@@H](N)C(=O)O CS-W005155 [1,0,1,0,0,0|1,0,0]=3 167 B7R0.5 NCC[C@H](N)C(=O)O CS-0447015 [1,0,1,0,0,0|1,0,0]=3 168 B7R0.5 N[C@@H](CCBr)C(=O)O CS-W010140 [1,0,1,0,0,0|1,0,0]=3 169 B7R0.5 O=C(O)C(Br)CCBr CS-0340260 [1,0,1,0,0,0|2,0,0]=4 170 B7R0.6 CC(=O)CCC(=O)[O-] CS-0187336 [1,0,1,0,0,0|1,0,1]=4 171 B7R0.6 CC(=O)CCC(=O)[O-] CS-0526568 [1,0,1,0,0,0|1,0,1]=4 172 B7R0.6 CC(=O)NCC(N)=O CS-0333417 [1,0,1,0,0,0|1,0,0]=3 173 B7R0.6 CC(=O)NNC(N)=O CS-0852123 [1,0,1,0,0,0|2,0,0]=4 174 B7R0.6 CC(C)NCC(=O)O CS-0246606 [1,0,1,0,0,0|1,0,1]=4 175 B7R0.6 NC(=O)CCC(=O)O CS-0094544 [1,0,1,0,0,0|2,0,0]=4 176 B7R0.6 O=C(O)CCC(=O)O CS-0504137 [1,0,1,0,0,0|2,0,0]=4 177 B7R0.12 O=CNC(CO)CO CS-0258754 [1,0,1,0,0,0|1,0,1]=4 178 B7R0.15 CCC(NC)C(=O)O CS-0251353 [1,0,1,0,0,0|0,0,1]=3 179 B7R0.15 CCC(NC)C(N)=O CS-0324764 [1,0,1,0,0,0|1,0,1]=4 180 B7R0.15 CCC(SC)C(=O)O CS-0223304 [1,0,1,0,0,0|1,0,1]=4 181 B7R0.15 CC[C@H](NC)C(N)=O CS-0961781 [1,0,1,0,0,0|1,0,1]=4 182 B7R0.15 CN[C@@H](CO)C(=O)O CS-0187590 [1,0,1,0,0,0|1,0,1]=4 183 B7R0.15 CN[C@H](CO)C(=O)O CS-0151242 [1,0,1,0,0,0|1,0,1]=4 184 B7R1.1 OC[C@@H]1CCCN1 CS-0199747 [2,0,0,0,0,0|0,0,2]=4 185 B7R1.2 CC1CCC(=O)N1 CS-0046659 [2,0,0,0,0,0|0,0,1]=3 186 B7R1.2 CC1CNC(=O)N1 CS-0040666 [2,0,0,0,0,0|1,0,1]=4 187 B7R1.2 C[C@@H]1CCC(=O)O1 CS-0063958 [2,0,0,0,0,0|1,0,1]=4 188 B7R1.2 O=C1CC(O)CO1 CS-W013700 [2,0,0,0,0,0|2,0,0]=4 189 B9R0.6 CCCC(C)C(N)C(=O)O CS-0230097 [0,1,1,0,0,0|1,0,1]=4 190 B9R0.7 CC(=O)OC[C@@H](N)C(=O)O CS-0199359 [0,1,1,0,0,0|1,0,0]=3 191 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O CS-W010858 [0,1,1,0,0,0|2,0,0]=4 192 B9R0.7 CC(C)CCC(N)C(=O)O CS-0261172 [0,1,1,0,0,0|1,0,1]=4 193 B9R0.7 NC(=O)CC[C@H](N)C(N)=O CS-0208880 [0,1,1,0,0,0|1,0,0]=3 194 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O CS-0208769 [0,1,1,0,0,0|1,0,0]=3 195 B9R0.7 NC(=O)[C@H](N)CCC(=O)O CS-0196933 [0,1,1,0,0,0|1,0,0]=3 196 B9R0.7 NC(=O)[C@H](N)CCC(=O)O CS-0209066 [0,1,1,0,0,0|1,0,0]=3 197 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O CS-0201583 [0,1,1,0,0,0|0,0,0]=2 198 B9R0.7 O=C(O)CCC(=O)C(=O)O CS-0167214 [0,1,1,0,0,0|1,0,1]=4 199 B9R0.7 O=C(O)CCC(=O)C(=O)O CS-0912437 [0,1,1,0,0,0|1,0,1]=4 200 B9R0.7 O=C(O)CC[C@H](Cl)C(=O)O CS-0697917 [0,1,1,0,0,0|1,0,0]=3 201 B9R0.13 CCCC[C@H](NC)C(=O)O CS-0210729 [0,1,1,0,0,0|1,0,1]=4 202 B9R0.47 C#CCCC[C@H](N)C(=O)O CS-0266252 [0,1,1,0,0,0|1,0,1]=4 203 B9R0.47 C=CCCC[C@H](N)C(=O)O CS-0186171 [0,1,1,0,0,0|1,0,0]=3 204 B9R0.47 C=CCCOC(C)C(=O)O CS-0251961 [0,1,1,0,0,0|2,0,0]=4 205 B9R0.47 NCCCC[C@@H](N)C(=O)O CS-0086618 [0,1,1,0,0,0|1,0,1]=4 206 B9R0.47 NCCCC[C@H](N)C(=O)O CS-W010478 [0,1,1,0,0,0|1,0,1]=4 207 B9R0.24 CCC(=O)CCC(=O)OC CS-0504000 [0,1,1,0,0,0|1,0,0]=3 208 B9R0.24 CNC(=O)CNC(=O)CCl CS-0295004 [0,1,1,0,0,0|2,0,0]=4 209 B9R0.24 COC(=O)CNC(=O)CCl CS-0181085 [0,1,1,0,0,0|1,0,0]=3 210 B9R0.24 COC(=O)NNC(=O)OC CS-0361299 [0,1,1,0,0,0|2,0,0]=4 211 B9R0.48 CCCC(=O)NCC(N)=O CS-0737569 [0,1,1,0,0,0|1,0,0]=3 212 B9R0.48 CCNC(=O)CCC(=O)O CS-0258029 [0,1,1,0,0,0|1,0,0]=3 213 B9R0.48 CCOC(=O)\C=C/C(=O)O CS-0151926 [0,1,1,0,0,0|1,0,1]=4 214 B9R0.48 CCOC(=S)SCC(=O)O CS-0660938 [0,1,1,0,0,0|1,1,0]=4 215 B9R0.64 CCS(=O)(=O)CCC(=O)O CS-0461016 [0,1,1,0,0,0|2,0,0]=4 216 B9R0.33 CC(C)[C@H](NC=O)C(=O)O CS-0201914 [0,1,1,0,0,0|0,0,0]=2 217 B9R0.33 CCNC(C(=O)O)C(C)C CS-0257986 [0,1,1,0,0,0|1,0,1]=4 218 B9R0.39 CCC(NC(N)=O)C(=O)O CS-0233619 [0,1,1,0,0,0|0,0,0]=2 219 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O CS-0138009 [0,1,1,0,0,0|2,0,0]=4 220 B9R0.11 CC(=O)NC(C)(C)C(=O)O CS-0216989 [0,1,1,0,0,0|0,0,0]=2 221 B9R0.57 CC(NS(C)(=O)=O)C(=O)O CS-0245835 [0,1,1,0,0,0|1,0,0]=3 222 B9R0.57 C[C@H](OS(C)(=O)=O)C(=O)O CS-0158275 [0,1,1,0,0,0|2,0,0]=4 223 B9R0.79 CC(C(=O)O)C(N)C(=O)O CS-W018217 [0,1,1,0,0,0|2,0,0]=4 224 B9R0.1 C=C(C)CCCC(=O)OC CS-0160700 [0,1,1,0,0,0|2,0,0]=4 225 B9R0.1 COC(=O)CCNC(C)=O CS-0662351 [0,1,1,0,0,0|2,0,0]=4 226 B9R0.1 COC(=O)CSCC(=O)O CS-0161691 [0,1,1,0,0,0|2,0,0]=4 227 B9R0.1 NCC(=O)NCCC(N)=O CS-0511573 [0,1,1,0,0,0|2,0,0]=4 228 B9R0.53 CC(=O)NC(C)CC(=O)O CS-0276848 [0,1,1,0,0,0|2,0,0]=4 229 B9R0.56 NS(=O)(=O)CCCC(=O)O CS-0204233 [0,1,1,0,0,0|1,0,0]=3 230 B9R0.56 O=C(O)CCCP(=O)(O)O CS-0210890 [0,1,1,0,0,0|2,0,0]=4 231 B9R1.125 CC1(C#N)CCC(=O)N1 CS-0225151 [1,1,0,0,0,0|1,0,1]=4 232 B9R1.125 CC1(CO)COC(=O)N1 CS-0210205 [1,1,0,0,0,0|1,0,1]=4 233 B9R1.132 CN1C(=O)CCC1CBr CS-0073988 [1,1,0,0,0,0|1,0,1]=4 234 B9R1.11 CNC(=O)C1CCCN1 CS-0777637 [1,1,0,0,0,0|1,0,1]=4 235 B9R1.11 CNC(=O)[C@@H]1CCCN1 CS-0260781 [1,1,0,0,0,0|1,0,1]=4 236 B9R1.11 COC(=O)C1C=CCN1 CS-0201829 [1,1,0,0,0,0|2,0,0]=4 237 B9R1.11 COC(=O)C1CSCN1 CS-0079604 [1,1,0,0,0,0|1,0,1]=4 238 B9R1.11 COC(=O)C1NCCS1 CS-0236265 [1,1,0,0,0,0|1,0,1]=4 239 B9R1.11 COC(=O)[C@@H]1CCCN1 CS-0197089 [1,1,0,0,0,0|0,0,1]=3 240 B9R1.11 COC(=O)[C@H]1CCNC1 CS-0049275 [1,1,0,0,0,0|2,0,0]=4 241 B9R1.11 COC(=O)[C@H]1CCNC1 CS-0053780 [1,1,0,0,0,0|2,0,0]=4 242 B9R1.41 CC1OCCC1C(=O)O CS-0229819 [1,1,0,0,0,0|2,0,0]=4 243 B9R1.41 CN1CCCC1C(N)=O CS-0321370 [1,1,0,0,0,0|1,0,1]=4 244 B9R1.41 CN1CCC[C@@H]1C(=O)O CS-0053503 [1,1,0,0,0,0|0,0,1]=3 245 B9R1.41 NC1CCCC1C(=O)O CS-0155442 [1,1,0,0,0,0|1,0,1]=4 246 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O CS-0119992 [1,1,0,0,0,0|1,0,1]=4 247 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O CS-WAA0104 [1,1,0,0,0,0|1,0,1]=4 248 B9R1.41 O=C(O)C1CCNC1=O CS-0051809 [1,1,0,0,0,0|2,0,0]=4 249 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O CS-0053472 [1,1,0,0,0,0|0,0,1]=3 250 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O CS-0026728 [1,1,0,0,0,0|0,0,1]=3 251 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O CS-M2136 [1,1,0,0,0,0|0,0,1]=3 252 B9R1.163 CC1(C(=O)O)CCCN1 CS-0197811 [1,1,0,0,0,0|0,0,1]=3 253 B9R1.163 NC1(C(=O)O)CCOC1 CS-0003965 [1,1,0,0,0,0|2,0,0]=4 254 B9R1.163 O=C(O)C1(Br)CCCC1 CS-0229811 [1,1,0,0,0,0|1,0,1]=4 255 B9R1.163 O=C(O)C1(F)CCNC1 CS-0051353 [1,1,0,0,0,0|2,0,0]=4 256 B9R1.152 CC(=O)C1(C)CC(=O)C1 CS-1057305 [0,1,0,0,1,0|2,0,0]=4 257 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N CS-0172853 [0,1,0,0,1,0|1,0,1]=4 258 B9R1.166 O=C(O)C1CCC1(F)F CS-0055423 [0,1,0,0,1,0|1,0,1]=4 259 B11R1.3 O=CN1CCC(C(=O)O)CC1 CS-W010915 [0,1,0,0,0,1|2,0,0]=4 260 B11R1.21 CC1=C(C)CC(C(=O)O)CC1 CS-0243030 [0,1,0,0,0,1|2,0,0]=4 261 B11R1.21 CN1CC(C(=O)O)NCC1=O CS-0697340 [0,1,0,0,0,1|1,0,0]=3 262 B11R1.21 CN1C[C@@H](C(=O)O)CCC1=O CS-0476243 [0,1,0,0,0,1|0,0,0]=2 263 B11R1.22 COC(=O)C1CCC(C)NC1 CS-0168243 [0,1,0,0,0,1|1,0,1]=4 264 B11R1.22 COC(=O)[C@@H]1CC[C@@H](C)NC1 CS-0048873 [0,1,0,0,0,1|1,0,1]=4 265 B11R1.22 COC(=O)[C@@H]1CC[C@H](C)NC1 CS-0006703 [0,1,0,0,0,1|1,0,1]=4 266 B11R1.22 COC(=O)[C@@H]1CNC(=O)CN1 CS-0109587 [0,1,0,0,0,1|1,0,0]=3 267 B11R1.22 COC(=O)[C@H]1CCC(=O)NC1 CS-0477244 [0,1,0,0,0,1|0,0,0]=2 268 B11R1.22 COC(=O)[C@H]1CC[C@@H](C)NC1 CS-0102296 [0,1,0,0,0,1|1,0,1]=4 269 B11R1.220 NC1(C(=O)O)CCC(=O)CC1 CS-0450614 [0,1,0,0,0,1|1,0,0]=3 270 B11R1.645 O=C(O)CC1NC(=O)NC1=O CS-W017961 [0,1,0,0,0,1|1,0,1]=4 271 B11R1.23 COC(=O)C1CCCC(=O)N1 CS-0035474 [0,1,0,0,0,1|0,0,0]=2 272 B11R1.23 COC(=O)C1CNCC(=O)N1 CS-0150658 [0,1,0,0,0,1|0,0,0]=2 273 B11R1.74 O=C1CC(C(=O)O)CC(=O)N1 CS-0071308 [0,1,0,0,0,1|1,0,1]=4 274 B11R1.159 CN1C(=O)CCCC1C(=O)O CS-0445462 [0,1,0,0,0,1|0,0,0]=2 275 B11R1.15 CCOC(=O)C1CCC(=O)O1 CS-0930354 [0,2,0,0,0,0|1,0,0]=3 276 B11R1.15 CCOC(=O)N1CCC(=O)C1 CS-B0610 [0,2,0,0,0,0|2,0,0]=4 277 B11R1.15 CCOC(=O)[C@H]1CCC(=O)O1 CS-0876240 [0,2,0,0,0,0|1,0,0]=3 278 B11R1.865 COC(=O)[C@H]1CCC(=O)N1C CS-0691970 [0,2,0,0,0,0|0,0,0]=2 279 B11R1.885 COC(=O)C1(C)CCC(=O)C1 CS-0049224 [0,2,0,0,0,0|1,0,0]=3 280 B11R1.48 CCN1CC(C(=O)O)CC1=O CS-0116567 [0,2,0,0,0,0|2,0,0]=4 281 B11R1.175 O=C(O)[C@@H]1CC[C@H](C(=O)O)O1 CS-0054082 [0,2,0,0,0,0|1,0,1]=4 282 B9R1.6 O=C(O)C1CCCCN1 CS-0043825 [0,0,1,1,0,0|1,0,1]=4 283 B9R1.6 O=C(O)C1CCSCN1 CS-0129032 [0,0,1,1,0,0|2,0,0]=4 284 B9R1.69 CC1CCC(=O)NC1=O CS-0061420 [0,0,1,1,0,0|2,0,0]=4 285 B9R1.69 NC1CCC(=O)NC1=O CS-0162424 [0,0,1,1,0,0|1,0,0]=3 286 B9R1.69 N[C@@H]1CCC(=O)NC1=O CS-0129554 [0,0,1,1,0,0|1,0,0]=3 287 B9R1.110 NC(C(=O)O)C1CCC1 CS-D0530 [0,0,1,1,0,0|1,0,1]=4 288 B9R1.112 NC(CC1CC1)C(=O)O CS-0171563 [0,0,1,1,0,0|1,0,1]=4 289 B9R1.179 C=CCC1(C(=O)O)CC1 CS-0052808 [0,0,1,1,0,0|2,0,0]=4 290 B9R1.161 NC(=O)[C@H]1C[C@H]1C(=O)O CS-0474007 [0,0,1,1,0,0|2,0,0]=4 291 B9R1.161 O=C(O)C1CC1C(=O)O CS-0141448 [0,0,1,1,0,0|2,0,0]=4 292 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O CS-0053574 [0,0,1,1,0,0|2,0,0]=4 293 B7R0.16 CC(C(N)=O)C(N)=O CS-0235187 [0,0,1,0,1,0|2,0,0]=4 294 B7R0.16 C[C@@H](C(=O)O)N(C)C CS-0221986 [0,0,1,0,1,0|2,0,0]=4 295 B7R0.16 O=C(O)C(F)C(=O)O CS-0469892 [0,0,1,0,1,0|2,0,0]=4 296 B7R1.8 O=C1CCC1CO CS-0045469 [1,0,0,0,1,0|0,0,1]=3 297 B7R1.18 [C@H]1(C(=O)O)CCN1 CS-0044037 [1,0,0,0,1,0|0,0,0]=2 298 B9R0.4 CCCCC(N)CC(=O)O CS-0447568 [0,0,1,0,0,1|1,0,1]=4 299 B9R0.55 NC(=O)CCCCC(N)=O CS-0149939 [0,0,1,0,0,1|1,0,0]=3 300 B9R0.55 O=C(O)CCCCC(=O)O CS-0833959 [0,0,1,0,0,1|1,0,0]=3 301 B9R0.55 O=C(O)CCNCC(=O)O CS-1057688 [0,0,1,0,0,1|1,0,0]=3 302 B9R0.55 O=C(O)\C=C\CCC(=O)O CS-0468838 [0,0,1,0,0,1|1,0,1]=4 303 B9R0.55 O=C([O-])CCCCC(=O)[O-] CS-0455468 [0,0,1,0,0,1|1,0,1]=4 304 B9R1.2 CCC1COCC(=O)N1 CS-0146685 [1,0,0,0,0,1|1,0,1]=4 305 B9R1.2 O=C1CCCC(CO)C1 CS-0216970 [1,0,0,0,0,1|1,0,1]=4 306 B9R1.2 O=C1CCC[C@@H](CO)N1 CS-0199303 [1,0,0,0,0,1|0,0,1]=3 307 B9R1.13 CC(=O)CC1C=CCC1 CS-0236252 [1,0,0,0,0,1|2,0,0]=4 308 B9R1.13 O=C(O)CC1CCCN1 CS-0005414 [1,0,0,0,0,1|0,0,1]=3 309 B9R1.13 O=C(O)C[C@@H]1CCNC1 CS-0961996 [1,0,0,0,0,1|2,0,0]=4 310 B11R1.20 CC(=O)OC1CCC(=O)CC1 CS-0155007 [0,0,0,0,0,2|2,0,0]=4 311 B11R1.20 O=C(O)CN1CCC(=O)CC1 CS-0155239 [0,0,0,0,0,2|2,0,0]=4 312 B11R1.20 O=C(O)CN1CCC(=O)CC1 CS-0340239 [0,0,0,0,0,2|2,0,0]=4 313 B11R1.157 O=C(O)CC1CCNC(=O)C1 CS-0962156 [0,0,0,0,0,2|1,0,0]=3 314 B11R1.157 O=C(O)CN1CCNC(=O)C1 CS-0206025 [0,0,0,0,0,2|2,0,0]=4 315 B11R1.157 O=C(O)CN1CCNC(=O)C1 CS-0215997 [0,0,0,0,0,2|2,0,0]=4