0 B14R1.158 CCCCOC(=O)CC1=CC=CC=C1 SBB060334 [0,0,0,0,0,0|0,0,0]=0 1 B14R1.158 O=C(CC1=CC=CC=C1)NC\C=N\O SBB057626 [0,0,0,0,0,0|3,0,1]=4 2 B13R1.28 CCCCCCCC1=CC=CC=C1 SBB057142 [1,0,0,0,0,0|1,0,1]=3 3 B13R1.28 OCCCCNCC1=CC=CC=C1 SBB000208 [1,0,0,0,0,0|3,0,0]=4 4 B13R1.44 CCCNC(=O)NC1=CC=CC=C1 SBB056566 [1,0,0,0,0,0|2,0,0]=3 5 B13R1.44 CCCOC(=O)CC1=CC=CC=C1 SBB061302 [1,0,0,0,0,0|0,0,0]=1 6 B15R1.93 CCCCCC(=O)N(C)C1=CC=CC=C1 SBB061217 [0,1,0,0,0,0|2,0,0]=3 7 B15R1.129 CCCCCC(=O)NC1=CC=CC(N)=C1 SBB080327 [0,1,0,0,0,0|2,0,0]=3 8 B15R1.129 CCCCCC(=O)OC1=CC=CC(C)=C1 SBB060839 [0,1,0,0,0,0|2,0,0]=3 9 B15R1.129 O=C(CCCCCl)NC1=CC=CC(O)=C1 SBB072567 [0,1,0,0,0,0|3,0,0]=4 10 B15R1.2074 O=S(=O)(CC1=CC=CC=C1)NCCCCl SBB100332 [0,1,0,0,0,0|3,0,0]=4 11 B15R2.1435 CCCCN1C2=CC=CC=C2N=C1S SBB045150 [0,0,0,1,0,0|2,1,0]=4 12 B15R2.1435 NCCCN1C(=O)OC2=C1C=CC=C2 SBB303396 [0,0,0,1,0,0|3,0,0]=4 13 B15R2.1435 O=C1NC2=C(C=CC=C2)C1CCCO SBB019044 [0,0,0,1,0,0|3,0,0]=4 14 B15R2.1435 O=C1NC2=C(C=CC=C2)N1CCCCl SBB003442 [0,0,0,1,0,0|3,0,0]=4 15 B15R2.2203 CCCCSC1=NC2=CC=CC=C2N1 SBB046230 [0,0,0,1,0,0|2,1,0]=4 16 B13R1.24 CCCCCC(=O)C1=CC=CC=C1 SBB058875 [0,0,0,0,1,0|1,0,0]=2 17 B13R1.24 CCCCOC(=O)C1=CC=CC=C1 SBB060566 [0,0,0,0,1,0|0,0,0]=1 18 B13R1.24 NCCCNC(=O)C1=NC=CC=C1 SBB301291 [0,0,0,0,1,0|3,0,0]=4 19 B15R1.78 NCCCNC(=O)OCC1=CC=CC=C1 SBB003190 [0,0,0,0,0,1|2,0,0]=3 20 B15R1.78 O=C(NCCCO)OCC1=CC=CC=C1 SBB058644 [0,0,0,0,0,1|2,0,0]=3 21 B12R1.8 BrCCCOCC1=CC=CC=C1 SBB055279 [2,0,0,0,0,0|1,0,0]=3 22 B12R1.8 CCCCCOC1=CC=CC=C1 SBB060062 [2,0,0,0,0,0|1,0,1]=4 23 B12R1.8 CCCCOCC1=CC=CC=C1 SBB061154 [2,0,0,0,0,0|0,0,0]=2 24 B12R1.8 N#CCCOCC1=CC=CC=C1 SBB072745 [2,0,0,0,0,0|1,0,1]=4 25 B12R1.8 N(CCCC)CC1=CC=CC=C1 SBB006552 [2,0,0,0,0,0|1,0,0]=3 26 B12R1.8 NCCCNCC1=CC=CC=C1 SBB015090 [2,0,0,0,0,0|2,0,0]=4 27 B12R1.8 NCCCOCC1=CC=CC=C1 SBB072321 [2,0,0,0,0,0|1,0,0]=3 28 B12R1.8 OCCCNCC1=CC=CC=C1 SBB055297 [2,0,0,0,0,0|2,0,0]=4 29 B12R1.32 CCNC(=O)NC1=CC=CC=C1 SBB008390 [2,0,0,0,0,0|2,0,0]=4 30 B12R1.32 CCOC(=O)CC1=CC=CC=N1 SBB058275 [2,0,0,0,0,0|1,0,0]=3 31 B12R1.32 CCOC(=O)CC1=CC=NC=C1 SBB053836 [2,0,0,0,0,0|1,0,0]=3 32 B12R1.32 CCOC(=O)CC1=CN=CC=C1 SBB058276 [2,0,0,0,0,0|1,0,0]=3 33 B12R1.32 CCOC(=O)NC1=NC=CC=C1 SBB017258 [2,0,0,0,0,0|2,0,0]=4 34 B12R1.32 O=C(CCCl)OC1=CC=CC=C1 SBB053602 [2,0,0,0,0,0|2,0,0]=4 35 B14R1.14 CCCCCCCC1=CC=C(N)C=C1 SBB008309 [1,1,0,0,0,0|1,0,1]=4 36 B14R1.14 CCCCCCCC1=CC=C(O)C=C1 SBB059156 [1,1,0,0,0,0|1,0,1]=4 37 B14R1.38 CCCCCCC(C)C1=CC=CC=C1 SBB060400 [1,1,0,0,0,0|1,0,1]=4 38 B14R1.123 OCCCCCCCC1=CC=CC=C1 SBB072190 [1,1,0,0,0,0|1,0,1]=4 39 B14R1.423 CC(C)CNC(=O)NC1=CC=CC=C1 SBB056570 [1,1,0,0,0,0|2,0,0]=4 40 B14R1.946 O=C(CCCCl)NC1=CC=CC=C1Cl SBB043872 [1,1,0,0,0,0|2,0,0]=4 41 B14R1.19 CCCCCC(=O)C1=CC=C(C)C=C1 SBB056545 [0,1,0,0,1,0|1,0,0]=3 42 B14R1.19 CCCCNC(=O)C1=CC=C(N)C=C1 SBB080091 [0,1,0,0,1,0|1,0,0]=3 43 B14R1.19 CCCCOC(=O)C1=CC=C(N)C=C1 SBB007542 [0,1,0,0,1,0|0,0,0]=2 44 B14R1.19 CCCCOC(=O)C1=CC=C(O)C=C1 SBB060338 [0,1,0,0,1,0|0,0,0]=2 45 B14R1.19 COCCNC(=O)C1=CC=C(N)C=C1 SBB080271 [0,1,0,0,1,0|2,0,0]=4 46 B14R1.19 COCCOC(=O)C1=CC=C(N)C=C1 SBB043654 [0,1,0,0,1,0|1,0,0]=3 47 B14R1.20 CCCCNC(=O)C1=CC(N)=CC=C1 SBB080093 [0,1,0,0,1,0|1,0,0]=3 48 B14R1.20 O=C(NCCCCl)C1=CC(Cl)=CC=C1 SBB097876 [0,1,0,0,1,0|2,0,0]=4 49 B14R1.46 CCCCNS(=O)(=O)C1=CC=CC=C1 SBB008484 [0,1,0,0,1,0|2,0,0]=4 50 B14R1.163 CCC(C)COC(=O)C1=CC=CC=C1 SBB061296 [0,1,0,0,1,0|0,0,0]=2 51 B14R1.420 CC(C)CCOC(=O)C1=CC=CC=C1 SBB068552 [0,1,0,0,1,0|0,0,0]=2 52 B14R1.1035 CC1=CC=CC=C1C(=O)NCCCCl SBB094553 [0,1,0,0,1,0|2,0,0]=4 53 B14R1.1035 CCCCNC(=O)C1=CC=CC=C1N SBB080180 [0,1,0,0,1,0|1,0,0]=3 54 B14R1.1035 CCCCOC(=O)C1=CC=CC=C1N SBB072416 [0,1,0,0,1,0|0,0,0]=2 55 B14R1.1035 COCCNC(=O)C1=CC=CC=C1N SBB080078 [0,1,0,0,1,0|2,0,0]=4 56 B16R1.688 CCCCCCC(=O)OCC1=CC=NC=C1 SBB056588 [0,1,0,0,0,1|2,0,0]=4 57 B16R1.688 CCCCCCC(=O)OCC1=NC=CC=C1 SBB057034 [0,1,0,0,0,1|2,0,0]=4 58 B16R1.934 CCOC(=O)CNC(=O)CC1=CC=CC=C1 SBB096137 [0,2,0,0,0,0|1,0,1]=4 59 B16R1.7393 CCCCCC(=O)NC1=CC=C(C)C(Cl)=C1 SBB042034 [0,2,0,0,0,0|2,0,0]=4 60 B14R2.6 C1=CC=C(CC2CCCCN2)C=C1 SBB010587 [1,0,0,1,0,0|1,0,1]=4 61 B14R2.3019 C1=CC=C(CNCC2CCC2)C=C1 SBB080025 [1,0,0,1,0,0|2,0,0]=4 62 B14R2.7150 CNCC1OCCC2=C1C=CC=C2 SBB010615 [1,0,0,1,0,0|1,0,1]=4 63 B14R2.517 O=C1NC2=C(C=CC=C2)C1CCO SBB018982 [1,0,0,1,0,0|2,0,0]=4 64 B14R2.21 CC1CCOC(C2=CC=CC=C2)O1 SBB061029 [0,0,0,1,1,0|0,0,2]=4 65 B14R2.114 O=C(C1=CC=CC=C1)C2CCCC2 SBB007885 [0,0,0,1,1,0|1,0,0]=3 66 B14R2.510 CC\C=C1/OC(=O)C2=C1C=CC=C2 SBB058029 [0,0,0,1,1,0|0,0,2]=4 67 B16R2.2238 O=C(OCC1=CC=CC=C1)[C@@H]2CCCN2 SBB003206 [0,0,0,1,0,1|2,0,0]=4 68 B16R2.88 O=C(CC1=CC=CC=C1)N2CCNCC2 SBB012670 [0,1,0,1,0,0|1,0,0]=3 69 B16R2.6335 CNCCCN1C(=O)NC2=CC=CC=C21 SBB017902 [0,1,0,1,0,0|2,0,0]=4 70 B16R2.6335 O=C1NC2=C(C=CC=C2)C1CCCCO SBB019015 [0,1,0,1,0,0|2,0,0]=4 71 B16R2.30799 CCCCN1C(=O)C(=O)C2=CC=CC=C21 SBB006836 [0,1,0,1,0,0|1,0,1]=4 72 B16R2.133 NC1=CC=C(CC(=O)N2CCCC2)C=C1 SBB050281 [0,1,0,1,0,0|1,0,0]=3 73 B16R2.33562 CC[C@@H](N)CN1C(=O)OC2=CC=CC=C21 SBB303486 [0,1,0,1,0,0|2,0,0]=4 74 B16R2.112 CCCCN1C2=CC=CC=C2N=C1C=O SBB014091 [0,1,0,1,0,0|2,0,0]=4 75 B12R1.30 CCCCC(=O)C1=CC=CC=C1 SBB064862 [1,0,0,0,1,0|0,0,0]=2 76 B12R1.30 CCCCC(O)C1=CC=CC=C1 SBB063387 [1,0,0,0,1,0|0,0,2]=4 77 B12R1.30 CCCNC(=O)C1=CC=CC=C1 SBB058554 [1,0,0,0,1,0|1,0,0]=3 78 B12R1.30 CCCOC(=O)C1=CC=CC=C1 SBB061241 [1,0,0,0,1,0|0,0,0]=2 79 B12R1.30 CCCOC(=O)C1=CN=CC=C1 SBB061278 [1,0,0,0,1,0|1,0,0]=3 80 B12R1.30 N#CCCC(=O)C1=CC=CC=C1 SBB087363 [1,0,0,0,1,0|1,0,1]=4 81 B12R1.30 O=C(NCCCl)C1=CC=CC=C1 SBB008196 [1,0,0,0,1,0|2,0,0]=4 82 B12R1.35 CCCCCC(=O)C1=CC=CO1 SBB008342 [0,0,0,0,2,0|2,0,0]=4 83 B12R1.35 CCCCCC(=O)C1=CC=CS1 SBB061352 [0,0,0,0,2,0|2,0,0]=4