0 B8R0.1 CCC#CC(=O)OCC SPC-t629 [0,1,0,0,0,0|2,0,1]=4 1 B8R1.4 CC1CC(N)CCO1 SPC-m997 [0,0,0,1,0,0|2,0,0]=3 2 B8R1.4 CC1CC(O)CCN1 SPC-p253 [0,0,0,1,0,0|3,0,0]=4 3 B8R1.4 CC1CC(O)CCN1 SPC-r050 [0,0,0,1,0,0|3,0,0]=4 4 B8R1.4 CC1CC(O)CCO1 SPC-g891 [0,0,0,1,0,0|2,0,0]=3 5 B8R1.4 CC1CNCC(C)N1 SPC-k259 [0,0,0,1,0,0|3,0,0]=4 6 B8R1.4 C[C@@H]1CN(C)CCN1 SPC-s054 [0,0,0,1,0,0|3,0,0]=4 7 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 SPC-h032 [0,0,0,1,0,0|3,0,0]=4 8 B8R1.4 C[C@@H]1C[C@H](O)CCN1 SPC-m097 [0,0,0,1,0,0|3,0,0]=4 9 B8R1.4 C[C@H]1CC(=O)CCO1 SPC-k855 [0,0,0,1,0,0|2,0,1]=4 10 B8R1.4 C[C@H]1CNC[C@@H](C)N1 SPC-g004 [0,0,0,1,0,0|3,0,0]=4 11 B8R1.4 C[C@H]1CNC[C@H](C)N1 SPC-n727 [0,0,0,1,0,0|3,0,0]=4 12 B8R1.4 C[C@H]1CNC[C@H](C)O1 SPC-k818 [0,0,0,1,0,0|2,0,0]=3 13 B8R1.4 C[C@H]1COC[C@@H](C)N1 SPC-p942 [0,0,0,1,0,0|3,0,0]=4 14 B8R1.4 C[C@H]1C[C@@H](O)CCN1 SPC-u060 [0,0,0,1,0,0|3,0,0]=4 15 B8R1.6 CCNC1CN(C)C1 SPC-i051 [0,0,0,1,0,0|3,0,0]=4 16 B8R1.6 CCOC1CC(N)C1 SPC-p372 [0,0,0,1,0,0|2,0,0]=3 17 B8R1.8 CCN[C@H]1CCOC1 SPC-n465 [0,0,0,1,0,0|3,0,0]=4 18 B8R1.8 CCO[C@@H]1CCNC1 SPC-u486 [0,0,0,1,0,0|2,0,0]=3 19 B8R1.8 CCO[C@H]1CCNC1 SPC-n761 [0,0,0,1,0,0|2,0,0]=3 20 B8R1.8 CNC[C@@H]1CCCN1 SPC-u242 [0,0,0,1,0,0|3,0,0]=4 21 B8R1.8 CNC[C@H]1CCCN1 SPC-u243 [0,0,0,1,0,0|3,0,0]=4 22 B8R1.8 COC[C@@H]1CCCN1 SPC-t889 [0,0,0,1,0,0|3,0,0]=4 23 B8R1.8 OCC[C@H]1CCCN1 SPC-u092 [0,0,0,1,0,0|3,0,0]=4 24 B8R1.22 C[C@H]1CCNCCN1 SPC-n217 [0,0,0,1,0,0|3,0,0]=4 25 B5R0.1 CCC[C@H](C)N SPC-k309 [2,0,0,0,0,0|2,0,0]=4 26 B7R1.1 BrCC1CCCC1 SPC-s715 [1,0,0,1,0,0|2,0,0]=4 27 B7R1.1 BrC[C@H]1CCCO1 SPC-g076 [1,0,0,1,0,0|1,0,0]=3 28 B7R1.1 CC[C@@H]1CCNC1 SPC-m807 [1,0,0,1,0,0|2,0,0]=4 29 B7R1.1 CC[C@H]1CCNC1 SPC-m813 [1,0,0,1,0,0|2,0,0]=4 30 B7R1.1 CO[C@@H]1CCNC1 SPC-h272 [1,0,0,1,0,0|2,0,0]=4 31 B7R1.1 CO[C@H]1CCNC1 SPC-h271 [1,0,0,1,0,0|2,0,0]=4 32 B7R1.1 CO[C@H]1CCNC1 SPC-h273 [1,0,0,1,0,0|2,0,0]=4 33 B7R1.1 FC[C@@H]1CCCN1 SPC-h660 [1,0,0,1,0,0|2,0,0]=4 34 B7R1.1 FC[C@H]1CCCN1 SPC-j761 [1,0,0,1,0,0|2,0,0]=4 35 B7R1.1 NCC1CCCC1 SPC-k191 [1,0,0,1,0,0|2,0,0]=4 36 B7R1.1 NCC1CCCC1 SPC-t893 [1,0,0,1,0,0|2,0,0]=4 37 B7R1.1 NC[C@@H]1CCCN1 SPC-k181 [1,0,0,1,0,0|2,0,0]=4 38 B7R1.1 OCC1OCCO1 SPC-s002 [1,0,0,1,0,0|2,0,0]=4 39 B7R1.1 OC[C@@H]1CCCN1 SPC-g330 [1,0,0,1,0,0|2,0,0]=4 40 B7R1.1 OC[C@H]1CCCN1 SPC-m785 [1,0,0,1,0,0|2,0,0]=4 41 B7R1.2 C[C@@H]1CC[C@@H](C)N1 SPC-s036 [1,0,0,1,0,0|1,0,0]=3 42 B7R1.2 C[C@H]1CC[C@@H](C)N1 SPC-s037 [1,0,0,1,0,0|1,0,0]=3 43 B7R1.3 C[C@@H]1CNCCN1 SPC-g041 [1,0,0,1,0,0|2,0,0]=4 44 B7R1.3 C[C@@H]1CNCCO1 SPC-n699 [1,0,0,1,0,0|1,0,0]=3 45 B7R1.3 C[C@@H]1COCCN1 SPC-g660 [1,0,0,1,0,0|2,0,0]=4 46 B7R1.3 C[C@H]1CNCCO1 SPC-m798 [1,0,0,1,0,0|1,0,0]=3 47 B7R1.3 C[C@H]1COCCN1 SPC-m696 [1,0,0,1,0,0|2,0,0]=4 48 B7R1.4 CC1CNCC1C SPC-t668 [1,0,0,1,0,0|2,0,0]=4 49 B7R1.6 CCNC1COC1 SPC-a295 [1,0,0,1,0,0|2,0,0]=4 50 B7R1.6 CCOC1CNC1 SPC-u336 [1,0,0,1,0,0|1,0,0]=3 51 B7R1.6 NCCC1CCC1 SPC-p217 [1,0,0,1,0,0|2,0,0]=4 52 B7R1.6 NCC[C@H]1CCO1 SPC-s809 [1,0,0,1,0,0|2,0,0]=4 53 B7R1.6 OCC[C@H]1CCO1 SPC-t605 [1,0,0,1,0,0|2,0,0]=4 54 B7R1.10 COC1CC(N)C1 SPC-h655 [1,0,0,1,0,0|2,0,0]=4 55 B7R1.21 CC1(CCO)CC1 SPC-p066 [1,0,0,1,0,0|2,0,0]=4 56 B7R1.22 CC[C@H](N)C1CC1 SPC-n986 [1,0,0,1,0,0|2,0,0]=4 57 B7R1.25 CC1(CN)CCC1 SPC-h987 [1,0,0,1,0,0|2,0,0]=4 58 B7R1.25 CC1(CO)CCC1 SPC-o100 [1,0,0,1,0,0|2,0,0]=4 59 B7R1.25 COC1(C)CNC1 SPC-i510 [1,0,0,1,0,0|2,0,0]=4 60 B7R1.25 C[C@]1(CO)CCO1 SPC-v359 [1,0,0,1,0,0|1,0,0]=3 61 B9R1.7 CCN[C@H]1CCN(C)C1 SPC-t781 [0,1,0,1,0,0|2,0,0]=4 62 B9R1.8 CNC[C@@H]1COCCO1 SPC-v495 [0,1,0,1,0,0|2,0,0]=4 63 B9R1.8 CNC[C@H]1CCCOC1 SPC-q182 [0,1,0,1,0,0|2,0,0]=4 64 B9R1.8 CNC[C@H]1COCCO1 SPC-v192 [0,1,0,1,0,0|2,0,0]=4 65 B9R1.12 COCC[C@H]1CCCN1 SPC-s798 [0,1,0,1,0,0|2,0,0]=4 66 B9R1.12 NCCCC1CCCC1 SPC-u103 [0,1,0,1,0,0|2,0,0]=4 67 B9R1.73 CCOC(=O)[C@@H]1CCO1 SPC-m749 [0,1,0,1,0,0|1,0,1]=4 68 B9R1.14 CCN1CCC[C@@H]1CN SPC-g176 [0,1,0,1,0,0|2,0,0]=4 69 B9R2.68 C1CC2CCC(C1)N2 SPC-n293 [0,0,0,2,0,0|2,0,0]=4 70 B9R2.68 C1CC2CNCC1O2 SPC-h160 [0,0,0,2,0,0|2,0,0]=4 71 B9R2.173 C1CCC2(C1)CCN2 SPC-b260 [0,0,0,2,0,0|2,0,0]=4 72 B9R2.173 C1CCC2(C1)CCN2 SPC-b260 [0,0,0,2,0,0|2,0,0]=4 73 B9R2.173 C1CNC2(C1)CCC2 SPC-b074 [0,0,0,2,0,0|2,0,0]=4 74 B9R2.173 C1C[C@@]2(CCO2)CN1 SPC-b099 [0,0,0,2,0,0|2,0,0]=4