0 B7R0.5 CCOC(=O)C(N)=S SPC-m739 [1,0,0,0,0,0|2,1,0]=4 1 B7R0.5 CN(C)C(=O)CCN SPC-t561 [1,0,0,0,0,0|3,0,0]=4 2 B9R1.6 NC(=O)[C@@H]1CCCNC1 SPC-j215 [0,0,0,1,0,0|2,0,1]=4 3 B9R1.6 NC(=O)[C@@H]1CCCNC1 SPC-v613 [0,0,0,1,0,0|2,0,1]=4 4 B9R1.6 NC(=O)[C@H]1CCCNC1 SPC-j216 [0,0,0,1,0,0|2,0,1]=4 5 B9R1.6 O=C(O)C1=COCCC1 SPC-g394 [0,0,0,1,0,0|2,0,0]=3 6 B9R1.6 O=C(O)[C@@H]1CCCCO1 SPC-n720 [0,0,0,1,0,0|1,0,2]=4 7 B9R1.6 O=C(O)[C@@H]1CCCCO1 SPC-q233 [0,0,0,1,0,0|1,0,2]=4 8 B9R1.6 O=C(O)[C@@H]1CNCCN1 SPC-g431 [0,0,0,1,0,0|2,0,1]=4 9 B9R1.6 O=C(O)[C@@H]1CNCCN1 SPC-t247 [0,0,0,1,0,0|2,0,1]=4 10 B9R1.6 O=C(O)[C@H]1CCCCO1 SPC-q612 [0,0,0,1,0,0|1,0,2]=4 11 B9R1.6 O=C(O)[C@H]1CCCNC1 SPC-r406 [0,0,0,1,0,0|1,0,1]=3 12 B9R1.6 O=C(O)[C@H]1CCCOC1 SPC-g817 [0,0,0,1,0,0|2,0,1]=4 13 B9R1.6 O=C(O)[C@H]1CCCSC1 SPC-j750 [0,0,0,1,0,0|2,0,1]=4 14 B9R1.6 O=C(O)[C@H]1CNCCN1 SPC-g459 [0,0,0,1,0,0|2,0,1]=4 15 B9R1.23 CN1C[C@@H](CN)CC1=O SPC-n100 [0,0,0,1,0,0|3,0,0]=4 16 B9R1.35 CC(=O)N1CC[C@H](N)C1 SPC-u453 [0,0,0,1,0,0|3,0,0]=4 17 B9R1.35 C[C@@H]1CC[C@@H](C(=O)O)N1 SPC-s049 [0,0,0,1,0,0|2,0,1]=4 18 B9R1.35 C[C@H]1CC[C@H](C(=O)O)N1 SPC-s038 [0,0,0,1,0,0|2,0,1]=4 19 B9R1.35 NC1CCC(C(=O)O)C1 SPC-h180 [0,0,0,1,0,0|1,0,1]=3 20 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 SPC-q476 [0,0,0,1,0,0|1,0,1]=3 21 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 SPC-t661 [0,0,0,1,0,0|1,0,1]=3 22 B9R1.69 CN1CC[C@H](N)CC1=O SPC-h540 [0,0,0,1,0,0|3,0,0]=4 23 B9R1.69 CN1C[C@@H](N)CCC1=O SPC-j654 [0,0,0,1,0,0|3,0,0]=4 24 B9R1.95 NCC1CC(C(=O)O)C1 SPC-m330 [0,0,0,1,0,0|1,0,1]=3 25 B9R1.110 N[C@@H](C(=O)O)C1CCC1 SPC-j771 [0,0,0,1,0,0|2,0,1]=4 26 B9R1.110 N[C@H](C(=O)O)C1CCC1 SPC-h873 [0,0,0,1,0,0|2,0,1]=4 27 B9R1.110 N[C@H](C(=O)O)C1CCC1 SPC-h964 [0,0,0,1,0,0|2,0,1]=4 28 B9R1.112 N[C@@H](CC1CC1)C(=O)O SPC-u403 [0,0,0,1,0,0|2,0,1]=4 29 B9R1.163 C[C@@]1(C(=O)O)CCCN1 SPC-g584 [0,0,0,1,0,0|1,0,1]=3 30 B9R1.163 C[C@]1(C(=O)O)CCCN1 SPC-g857 [0,0,0,1,0,0|1,0,1]=3 31 B6R0.4 CC\C=C\C(=O)O SPC-t510 [2,0,0,0,0,0|0,0,1]=3 32 B6R0.3 CC[C@@H](Br)C(=O)O SPC-t752 [2,0,0,0,0,0|1,0,1]=4 33 B6R0.3 CC[C@H](Br)C(=O)O SPC-t846 [2,0,0,0,0,0|1,0,1]=4 34 B8R1.1 NC[C@@H]1CNC(=O)C1 SPC-m273 [1,0,0,1,0,0|2,0,0]=4 35 B8R1.1 NC[C@@H]1CNC(=O)C1 SPC-m274 [1,0,0,1,0,0|2,0,0]=4 36 B8R1.1 NC[C@@H]1CNC(=O)C1 SPC-p435 [1,0,0,1,0,0|2,0,0]=4 37 B8R1.1 NC[C@H]1CNC(=O)C1 SPC-m271 [1,0,0,1,0,0|2,0,0]=4 38 B8R1.1 NC[C@H]1CNC(=O)C1 SPC-m272 [1,0,0,1,0,0|2,0,0]=4 39 B8R1.3 C[C@@H]1C=CC(=O)CC1 SPC-s978 [1,0,0,1,0,0|2,0,0]=4 40 B8R1.3 N[C@@H]1CCC(=O)NC1 SPC-r045 [1,0,0,1,0,0|2,0,0]=4 41 B8R1.3 N[C@H]1CCC(=O)NC1 SPC-h503 [1,0,0,1,0,0|2,0,0]=4 42 B8R1.3 N[C@H]1CCC(=O)NC1 SPC-r044 [1,0,0,1,0,0|2,0,0]=4 43 B8R1.38 COC(=O)[C@@H]1CCN1 SPC-h839 [1,0,0,1,0,0|2,0,0]=4 44 B8R1.38 COC(=O)[C@@H]1CCN1 SPC-m118 [1,0,0,1,0,0|2,0,0]=4 45 B8R1.38 COC(=O)[C@H]1CCN1 SPC-h849 [1,0,0,1,0,0|2,0,0]=4 46 B8R1.50 CN1CC[C@@H](N)C1=O SPC-v521 [1,0,0,1,0,0|2,0,0]=4 47 B8R1.4 N[C@H]1CCNC(=O)C1 SPC-j029 [1,0,0,1,0,0|2,0,0]=4 48 B8R1.7 NC(=O)[C@@H]1CCCN1 SPC-m512 [1,0,0,1,0,0|1,0,1]=4 49 B8R1.7 O=C(O)C1=COCC1 SPC-g480 [1,0,0,1,0,0|2,0,0]=4 50 B8R1.7 O=C(O)C1CCCC1 SPC-k222 [1,0,0,1,0,0|1,0,1]=4 51 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O SPC-i928 [1,0,0,1,0,0|0,0,1]=3 52 B8R1.31 N[C@H]1CC[C@H]1C(=O)O SPC-i929 [1,0,0,1,0,0|0,0,1]=3 53 B8R1.34 O=C(O)C=C1CCC1 SPC-h901 [1,0,0,1,0,0|1,0,1]=4 54 B8R1.34 O=C(O)CC1CCC1 SPC-a096 [1,0,0,1,0,0|1,0,1]=4 55 B8R1.35 O=C(O)\C=C\C1CC1 SPC-n055 [1,0,0,1,0,0|1,0,1]=4 56 B8R1.43 NCC1CC1C(=O)O SPC-v399 [1,0,0,1,0,0|0,0,1]=3 57 B8R1.23 CC1CC(C(=O)O)C1 SPC-m202 [1,0,0,1,0,0|1,0,1]=4 58 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 SPC-i346 [1,0,0,1,0,0|1,0,1]=4 59 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 SPC-i384 [1,0,0,1,0,0|1,0,1]=4 60 B8R1.23 NC1CC(C(=O)O)C1 SPC-q735 [1,0,0,1,0,0|1,0,1]=4 61 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 SPC-h937 [1,0,0,1,0,0|1,0,1]=4 62 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 SPC-i508 [1,0,0,1,0,0|1,0,1]=4 63 B8R1.78 CC1(C(=O)O)CCC1 SPC-h853 [1,0,0,1,0,0|1,0,1]=4 64 B8R1.78 NC1(C(=O)O)CCC1 SPC-h208 [1,0,0,1,0,0|1,0,1]=4 65 B8R1.78 NC1(C(=O)O)CCC1 SPC-h754 [1,0,0,1,0,0|1,0,1]=4 66 B8R1.78 O=C(O)C1(Br)CCC1 SPC-t595 [1,0,0,1,0,0|1,0,1]=4 67 B8R1.78 O=C(O)C1(O)CCC1 SPC-n942 [1,0,0,1,0,0|0,0,2]=4 68 B10R1.18 O=C(O)C[C@H]1CCCNC1 SPC-j408 [0,0,0,1,0,1|1,0,1]=4 69 B10R1.275 O=C1CCCCC(O)=C1F SPC-u977 [0,1,0,1,0,0|2,0,0]=4 70 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 SPC-m733 [0,1,0,1,0,0|1,0,1]=4 71 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 SPC-g845 [0,1,0,1,0,0|1,0,1]=4 72 B10R1.15 COC(=O)C1=CNCCC1 SPC-k316 [0,1,0,1,0,0|1,0,0]=3 73 B10R1.15 COC(=O)[C@@H]1CCCNC1 SPC-n418 [0,1,0,1,0,0|1,0,1]=4 74 B10R1.15 COC(=O)[C@H]1CCCNC1 SPC-q075 [0,1,0,1,0,0|1,0,1]=4 75 B10R1.169 COC(=O)C1CC(CN)C1 SPC-i222 [0,1,0,1,0,0|1,0,1]=4 76 B10R1.411 COC(=O)[C@@]1(C)CCCN1 SPC-m307 [0,1,0,1,0,0|1,0,1]=4 77 B10R1.411 COC(=O)[C@]1(C)CCCN1 SPC-g670 [0,1,0,1,0,0|1,0,1]=4 78 B10R1.348 O=C(O)[C@H]1CCCNCC1 SPC-j201 [0,1,0,1,0,0|1,0,1]=4 79 B10R1.113 CN1CCC[C@@H](C(=O)O)C1 SPC-m806 [0,1,0,1,0,0|1,0,1]=4 80 B10R1.113 CN1CCC[C@H](C(=O)O)C1 SPC-g864 [0,1,0,1,0,0|1,0,1]=4 81 B10R1.113 CN1CCC[C@H](C(=O)O)C1 SPC-m811 [0,1,0,1,0,0|1,0,1]=4 82 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 SPC-g914 [0,1,0,1,0,0|1,0,1]=4 83 B10R1.363 C[C@@]1(C(=O)O)CCCCN1 SPC-r055 [0,1,0,1,0,0|1,0,1]=4 84 B10R1.363 C[C@]1(C(=O)O)CCCCN1 SPC-r042 [0,1,0,1,0,0|1,0,1]=4 85 B10R1.363 C[C@]1(C(=O)O)CCCNC1 SPC-h898 [0,1,0,1,0,0|1,0,1]=4 86 B10R1.363 C[C@]1(C(=O)O)CCCNC1 SPC-k843 [0,1,0,1,0,0|1,0,1]=4 87 B10R2.344 O=C(O)C12CNCC1C2 SPC-p325 [0,0,0,2,0,0|1,0,1]=4 88 B10R2.344 O=C(O)[C@@]12CC1CCN2 SPC-v639 [0,0,0,2,0,0|1,0,1]=4