0 B15R1.138 CCCCCCCC(=O)C1=CC=CC=C1 SBB008388 [0,0,0,0,0,0|1,0,0]=1 1 B15R1.138 CCCCCCOC(=O)C1=CC=CC=C1 SBB061297 [0,0,0,0,0,0|0,0,0]=0 2 B15R1.138 O=C(CCCCCCCl)C1=CC=CC=C1 SBB057442 [0,0,0,0,0,0|2,0,0]=2 3 B15R1.138 O=C(OCCCCCCl)C1=CC=CC=C1 SBB008380 [0,0,0,0,0,0|1,0,0]=1 4 B14R1.38 CCCCCCC(=O)C1=CC=CC=C1 SBB064863 [1,0,0,0,0,0|0,0,0]=1 5 B14R1.38 CCCCCCC(C)C1=CC=CC=C1 SBB060400 [1,0,0,0,0,0|1,0,1]=3 6 B14R1.38 CCCCCOC(=O)C1=CC=CC=C1 SBB116861 [1,0,0,0,0,0|0,0,0]=1 7 B14R1.38 CNCCCNC(=O)C1=NC=CC=C1 SBB301289 [1,0,0,0,0,0|3,0,0]=4 8 B14R1.38 O=C(OCCCCCl)C1=CC=CC=C1 SBB006654 [1,0,0,0,0,0|1,0,0]=2 9 B14R1.123 OCCCCCCCC1=CC=CC=C1 SBB072190 [1,0,0,0,0,0|2,0,1]=4 10 B16R1.64 CCCCCCCOC(=O)C1=CC=CC=C1 SBB061298 [0,1,0,0,0,0|0,0,0]=1 11 B16R1.64 O=C(OCCCCCCCl)C1=CC=CC=C1 SBB061571 [0,1,0,0,0,0|0,0,0]=1 12 B16R1.91 CCCCCCCC(=O)C1=CC=C(Br)C=C1 SBB007688 [0,1,0,0,0,0|1,0,0]=2 13 B16R1.91 CCCCCCCC(=O)C1=CC=C(C)C=C1 SBB056580 [0,1,0,0,0,0|1,0,0]=2 14 B16R1.91 CCCCCCCC(=O)C1=CC=C(O)C=C1 SBB096007 [0,1,0,0,0,0|1,0,0]=2 15 B16R1.91 CCCCCCOC(=O)C1=CC=C(N)C=C1 SBB015392 [0,1,0,0,0,0|0,0,0]=1 16 B16R1.609 O=C(O)CCCCNC(=O)C1=CC=CC=C1 SBB079196 [0,1,0,0,0,0|2,0,1]=4 17 B16R2.88 CC(NC1CCCCC1)C2=CC=CC=C2 SBB301393 [0,0,0,1,0,0|2,0,1]=4 18 B16R2.88 O=C(NC1CCNCC1)C2=CC=CC=C2 SBB052008 [0,0,0,1,0,0|2,0,0]=3 19 B16R2.3014 O=C(N[C@@H]1CSC[C@H]1O)C2=CC=CC=C2 SBB014685 [0,0,0,1,0,0|3,0,0]=4 20 B13R1.24 CCCCCC(=O)C1=CC=CC=C1 SBB058875 [2,0,0,0,0,0|0,0,0]=2 21 B13R1.24 CCCCOC(=O)C1=CC=CC=C1 SBB060566 [2,0,0,0,0,0|0,0,0]=2 22 B13R1.28 CCCCCCCC1=CC=CC=C1 SBB057142 [2,0,0,0,0,0|0,0,1]=3 23 B15R1.30 CCCCCCC(=O)C1=CC=C(Br)C=C1 SBB059742 [1,1,0,0,0,0|0,0,0]=2 24 B15R1.30 CCCCCCC(=O)C1=CC=C(O)C=C1 SBB063297 [1,1,0,0,0,0|0,0,0]=2 25 B15R1.30 CCCCCOC(=O)C1=CC=C(N)C=C1 SBB043653 [1,1,0,0,0,0|0,0,0]=2 26 B15R1.115 O=C(CCCO)CC(=O)C1=CC=CC=C1 SBB056495 [1,1,0,0,0,0|1,0,1]=4 27 B15R1.959 COC(=O)CCCC(=O)C1=CC=CC=C1 SBB007684 [1,1,0,0,0,0|1,0,1]=4 28 B15R1.3965 COCCCNC(=O)C1=CC=CC=C1N SBB080179 [1,1,0,0,0,0|2,0,0]=4 29 B15R1.12 CCCCCCCCC1=CC=C(Br)C=C1 SBB007672 [1,1,0,0,0,0|1,0,1]=4 30 B15R1.12 CCCCCCCCC1=CC=C(N)C=C1 SBB008315 [1,1,0,0,0,0|1,0,1]=4 31 B15R1.12 CCCCCCCCC1=CC=C(O)C=C1 SBB059157 [1,1,0,0,0,0|1,0,1]=4 32 B15R1.12 CCCCCCCOC1=CC=C(Br)C=C1 SBB059356 [1,1,0,0,0,0|2,0,0]=4 33 B15R1.12 CCCCCCCOC1=CC=C(N)C=C1 SBB008270 [1,1,0,0,0,0|2,0,0]=4 34 B15R1.12 CCCCCCCOC1=CC=C(O)C=C1 SBB056549 [1,1,0,0,0,0|2,0,0]=4 35 B15R1.35 CCCCCCCCCC1=CC=CC=C1 SBB057143 [1,1,0,0,0,0|1,0,1]=4 36 B15R1.35 CCCCCCCCNC1=CC=CC=C1 SBB072723 [1,1,0,0,0,0|1,0,1]=4 37 B15R1.106 CCCCCCCOC1=CC(N)=CC=C1 SBB080164 [1,1,0,0,0,0|2,0,0]=4 38 B17R1.744 CCCCCCCC(=O)NC1=CC=C(Cl)C=C1 SBB006335 [0,1,0,0,0,1|1,0,0]=3 39 B17R1.39 CCCCCCCOC(=O)C1=CC=C(N)C=C1 SBB072385 [0,2,0,0,0,0|0,0,0]=2 40 B17R1.679 O=C(O)CCCCCNC(=O)C1=CC=CC=C1 SBB021963 [0,2,0,0,0,0|1,0,1]=4 41 B17R1.754 CCCCCCCCCC(=O)C1=CC=CC=C1 SBB058809 [0,2,0,0,0,0|1,0,0]=3 42 B17R1.9256 CCCCCCCC(=O)C1=CC=C(OC)C=C1 SBB061457 [0,2,0,0,0,0|1,0,0]=3 43 B17R1.4951 CCCCC(CC)COC(=O)C1=CC=CC=C1 SBB061305 [0,2,0,0,0,0|0,0,0]=2 44 B17R1.9325 CCCNC(C)(C)COC(=O)C1=CC=CC=C1 SBB058164 [0,2,0,0,0,0|1,0,0]=3 45 B15R1.1045 C(=O)C1=C(OCCCCCC)C=CC=C1 SBB007793 [0,0,1,1,0,0|2,0,0]=4 46 B15R2.1259 O=C(OC1CCCC1)C2=CC=CC=C2 SBB060736 [1,0,0,1,0,0|0,0,0]=2 47 B15R2.1428 CCC\C=C1/OC(=O)C2=C1C=CC=C2 SBB058020 [1,0,0,1,0,0|0,0,2]=4 48 B15R2.2226 O=C(C1=CC=CC=C1)C2CCCCC2 SBB007832 [1,0,0,1,0,0|0,0,0]=2 49 B15R2.2226 O=C(C1=CC=CC=C1)C2CCNCC2 SBB003319 [1,0,0,1,0,0|1,0,0]=3 50 B15R2.2226 O=C(C1=CC=CC=C1)N2CCCCC2 SBB058221 [1,0,0,1,0,0|1,0,0]=3 51 B15R2.2226 O=C(C1=CC=CC=C1)N2CCNCC2 SBB003310 [1,0,0,1,0,0|2,0,0]=4 52 B15R2.2226 O=C(C1=CC=CC=C1)N2CCNCC2 SBB059055 [1,0,0,1,0,0|2,0,0]=4 53 B15R2.2226 OC(C1=CC=CC=C1)C2CCCCC2 SBB055113 [1,0,0,1,0,0|0,0,2]=4 54 B15R2.2226 S=C(C1=CC=CC=C1)N2CCCCC2 SBB093526 [1,0,0,1,0,0|1,1,0]=4 55 B15R2.55 N[C@@H]1CCC[C@H]1OCC2=CC=CC=C2 SBB028396 [1,0,0,1,0,0|1,0,1]=4 56 B17R2.143 O=C(NC1=CC=CC=C1)NC2CCCCC2 SBB056567 [0,0,0,1,0,1|1,0,0]=3 57 B17R2.143 S=C(NC1=CC=CC=C1)NC2CCCCC2 SBB017822 [0,0,0,1,0,1|1,1,0]=4 58 B17R2.2569 CCCCCCCC1=NC2=C(C=CC=C2)N1 SBB056521 [0,0,0,1,0,1|2,0,0]=4 59 B17R2.19036 CCCCCCN1C2=CC=CC=C2N=C1S SBB045149 [0,0,0,1,0,1|1,1,0]=4 60 B17R2.295454 CC1(NC(=O)C2=CC=CC=C2)CCCCC1 SBB056533 [0,1,0,1,0,0|1,0,0]=3 61 B17R2.2342 [NH+]1(CCC(=O)C2=CC=CC=C2)CCOCC1 SBB057956 [0,1,0,1,0,0|2,0,0]=4 62 B17R2.3426 O=C(NC1CCCC[C@H]1Cl)C2=CC=CC=C2 SBB056534 [0,1,0,1,0,0|1,0,0]=3 63 B17R2.192 NC1=CC=C(C(=O)NC2CCCCC2)C=C1 SBB000581 [0,1,0,1,0,0|1,0,0]=3 64 B17R2.381 CC1CCCCN1C(=O)C2=CC=C(N)C=C2 SBB027544 [0,1,0,1,0,0|1,0,0]=3 65 B17R2.3283 NC1=CC=C(C(=O)NCC2CCCO2)C=C1 SBB072340 [0,1,0,1,0,0|2,0,0]=4 66 B17R2.3283 O=C(OCC1CCCO1)C2=CC=C(O)C=C2 SBB080170 [0,1,0,1,0,0|1,0,0]=3 67 B17R2.56621 NC1=CC=C(C(=O)N2CCCCCC2)C=C1 SBB080095 [0,1,0,1,0,0|1,0,0]=3 68 B17R2.3378 NC1=CC=CC(C(=O)NCC2CCCO2)=C1 SBB080277 [0,1,0,1,0,0|2,0,0]=4 69 B17R2.3378 O=C(OCC1CCCO1)C2=CC(O)=CC=C2 SBB080177 [0,1,0,1,0,0|1,0,0]=3 70 B17R2.5273 NC1=CC(C(=O)NC2CCCCC2)=CC=C1 SBB080082 [0,1,0,1,0,0|1,0,0]=3 71 B17R2.273415 NC1=CC(C(=O)N2CCCCCC2)=CC=C1 SBB080324 [0,1,0,1,0,0|1,0,0]=3 72 B17R2.273415 O=C(C1=CC=CC(Cl)=C1)N2CCCCCC2 SBB006239 [0,1,0,1,0,0|1,0,0]=3 73 B17R2.3241 O=C1CC[C@@H](COC(=O)C2=CC=CC=C2)O1 SBB014820 [0,1,0,1,0,0|1,0,1]=4 74 B17R2.85802 CCCCCN1C(=O)C(=O)C2=CC=CC=C21 SBB038761 [0,1,0,1,0,0|2,0,0]=4 75 B17R2.5362 CC1CC(=O)CCN1C(=O)C2=CC=CC=C2 SBB013675 [0,1,0,1,0,0|1,0,1]=4 76 B17R2.3950 NC1=C(C(=O)NCC2CCCO2)C=CC=C1 SBB072866 [0,1,0,1,0,0|2,0,0]=4 77 B17R2.20511 CC1CCCCN1C(=O)C2=CC=CC=C2N SBB072232 [0,1,0,1,0,0|1,0,0]=3 78 B17R1.1287 CCCCCCCC(=O)OCC1=CC=CC=N1 SBB056587 [0,0,0,0,0,2|2,0,0]=4