0 B13R1.337 N=C(N)NCCCC1=CC=CC=C1 SC-60373 [0,0,0,0,0,0|3,0,0]=3 1 B13R1.337 O=C(Cl)OCCOC1=CC=CC=C1 SC-86178 [0,0,0,0,0,0|2,0,0]=2 2 B12R1.8 C=CCCNCC1=CC=CC=C1 SC-34024 [1,0,0,0,0,0|2,0,1]=4 3 B12R1.8 CNCCOCC1=CC=CC=C1 SC-52436 [1,0,0,0,0,0|3,0,0]=4 4 B12R1.8 O=CCCCCC1=CC=CC=C1 SC-68672 [1,0,0,0,0,0|1,0,0]=2 5 B12R1.8 O=COC\C=C\C1=CC=CC=C1 SC-68028 [1,0,0,0,0,0|0,0,2]=3 6 B14R1.420 O=C(O)CCCC(=O)C1=CC=CC=C1 SC-46406 [0,1,0,0,0,0|2,0,1]=4 7 B14R1.423 N[C@@H](CCC(=O)O)CC1=CC=CC=C1 SC-69776 [0,1,0,0,0,0|2,0,0]=3 8 B14R1.716 COC(=O)CCCCC1=CC=CC=C1 SC-68710 [0,1,0,0,0,0|1,0,0]=2 9 B14R1.716 COC(=O)CCSCC1=CC=CC=C1 SC-34564 [0,1,0,0,0,0|2,0,0]=3 10 B14R1.818 CC(CC(=O)O)NCC1=CC=CC=C1 SC-41290 [0,1,0,0,0,0|3,0,0]=4 11 B14R1.818 NC(CCC1=CC=CC=C1)CC(=O)O SC-59365 [0,1,0,0,0,0|2,0,0]=3 12 B14R1.6449 CC(CNCC1=CC=CC=C1)C(=O)O SC-40707 [0,1,0,0,0,0|3,0,0]=4 13 B14R1.6449 NC(CCCC1=CC=CC=C1)C(=O)O SC-53096 [0,1,0,0,0,0|2,0,0]=3 14 B14R1.6449 NC(CCOC1=CC=CC=C1)C(=O)O SC-33082 [0,1,0,0,0,0|3,0,0]=4 15 B14R1.6449 NC(CSCC1=CC=CC=C1)C(=O)O SC-09465 [0,1,0,0,0,0|3,0,0]=4 16 B14R1.6449 [C@@H](N)(COCC1=CC=CC=C1)C(=O)O SC-09856 [0,1,0,0,0,0|3,0,0]=4 17 B14R2.2 O=C(O)CC1CCC2=C1C=CC=C2 SC-30355 [0,0,0,1,0,0|2,0,0]=3 18 B14R2.2 O=C(O)\C=C1/CCC2=C1C=CC=C2 SC-36336 [0,0,0,1,0,0|2,0,1]=4 19 B14R2.19 O=C1CCN(CC2=CC=CC=C2)C1 SC-25251 [0,0,0,1,0,0|2,0,0]=3 20 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 SC-19534 [0,0,0,1,0,0|1,0,0]=2 21 B14R2.19 S=C1N[C@@H](CC2=CC=CC=C2)CO1 SC-65525 [0,0,0,1,0,0|1,1,0]=3 22 B14R2.19 S=C1N[C@H](CC2=CC=CC=C2)CO1 SC-14154 [0,0,0,1,0,0|1,1,0]=3 23 B14R2.21 CC1CCCC(C2=CC=CC=C2)N1 SC-50013 [0,0,0,1,0,0|2,0,1]=4 24 B14R2.21 O=C1CCCC(C2=CC=CC=C2)O1 SC-36252 [0,0,0,1,0,0|2,0,0]=3 25 B14R2.31359 O=C(O)C1CCOC2=CC=CC=C21 SC-22348 [0,0,0,1,0,0|3,0,0]=4 26 B12R1.252 CC(=O)CSCC1=CC=CC=C1 SC-65406 [0,0,0,0,1,0|1,0,0]=2 27 B12R1.252 CC(C)CNCC1=CC=CC=C1 SC-51577 [0,0,0,0,1,0|2,0,1]=4 28 B12R1.252 C[C@H](N)COCC1=CC=CC=C1 SC-09293 [0,0,0,0,1,0|2,0,1]=4 29 B12R1.252 N=C(N)CCCC1=CC=CC=C1 SC-39290 [0,0,0,0,1,0|2,0,0]=3 30 B12R1.252 N=C(N)CCCC1=CC=CC=N1 SC-12263 [0,0,0,0,1,0|3,0,0]=4 31 B12R1.252 N=C(N)CCCC1=CC=NC=C1 SC-12261 [0,0,0,0,1,0|3,0,0]=4 32 B12R1.252 N=C(N)CCCC1=CN=CC=C1 SC-12262 [0,0,0,0,1,0|3,0,0]=4 33 B12R1.252 N=C(N)CCOC1=CC=CC=C1 SC-41366 [0,0,0,0,1,0|3,0,0]=4 34 B12R1.252 N=C(N)COCC1=CC=CC=C1 SC-52537 [0,0,0,0,1,0|3,0,0]=4 35 B12R1.252 N=C(N)NCCC1=CC=CC=C1 SC-60341 [0,0,0,0,1,0|3,0,0]=4 36 B12R1.252 O=C(O)CCCC1=CC=NC=C1 SC-70148 [0,0,0,0,1,0|2,0,0]=3 37 B14R1.422 CC(=O)C#CCOCC1=CC=CC=C1 SC-31720 [0,0,0,0,0,1|1,0,1]=3 38 B14R1.422 O=C(O)\C=C\CNCC1=CC=CC=C1 SC-35146 [0,0,0,0,0,1|2,0,1]=4 39 B11R1.28 CCCCCC1=NC=CC=C1 SC-57942 [2,0,0,0,0,0|1,0,1]=4 40 B11R1.28 CCCCOC1=CC=CC=C1 SC-69204 [2,0,0,0,0,0|1,0,1]=4 41 B13R1.9 CCCCCCC1=CC=C(O)C=C1 SC-52097 [1,1,0,0,0,0|1,0,1]=4 42 B13R1.28 C=CCCCNCC1=CC=CC=C1 SC-34027 [1,1,0,0,0,0|1,0,1]=4 43 B13R1.28 OC\C=C\COCC1=CC=CC=C1 SC-31429 [1,1,0,0,0,0|2,0,0]=4 44 B13R1.28 OC\C=C\COCC1=CC=CC=C1 SC-78905 [1,1,0,0,0,0|2,0,0]=4 45 B13R1.149 O=C(O)CCCC1=CC=CC(Br)=C1 SC-25268 [0,1,0,0,1,0|1,0,0]=3 46 B13R1.348 CC(CC(=O)O)CC1=CC=CC=C1 SC-87963 [0,1,0,0,1,0|1,0,0]=3 47 B13R1.348 NC(CC(=O)O)CC1=CC=CC=C1 SC-12427 [0,1,0,0,1,0|1,0,0]=3 48 B13R1.348 NC(CC(=O)O)CC1=CC=CC=C1 SC-43726 [0,1,0,0,1,0|1,0,0]=3 49 B13R1.351 CC(COC1=CC=CC=C1)C(=O)O SC-58598 [0,1,0,0,1,0|2,0,0]=4 50 B13R1.351 NC(CCC1=CC=NC=C1)C(=O)O SC-31254 [0,1,0,0,1,0|2,0,0]=4 51 B13R1.351 O=C(O)C(Br)CCC1=CC=CC=C1 SC-45737 [0,1,0,0,1,0|1,0,0]=3 52 B13R1.513 NC1=CC=C(CCCC(=O)O)C=C1 SC-52653 [0,1,0,0,1,0|1,0,0]=3 53 B13R1.513 O=C(O)CCCC1=CC=C(F)C=C1 SC-47517 [0,1,0,0,1,0|1,0,0]=3 54 B15R1.871 O=C(O)CCCCCC1=CC=C(F)C=C1 SC-66243 [0,1,0,0,0,1|2,0,0]=4 55 B15R1.3890 O=P(O)(O)OCCCCC1=CC=CC=C1 SC-43855 [0,1,0,0,0,1|2,0,0]=4 56 B15R1.1091 COC(=O)NCCCC1=CC=CC=C1Br SC-34552 [0,2,0,0,0,0|1,0,0]=3 57 B15R1.1076 CC(CC(N)CC(=O)O)C1=CC=CC=C1 SC-59281 [0,2,0,0,0,0|2,0,0]=4 58 B15R1.26 COC(=O)NCCCC1=CC=C(Br)C=C1 SC-34284 [0,2,0,0,0,0|1,0,0]=3 59 B15R1.778 CCOC(=O)CCCCC1=CC=CC=C1 SC-68711 [0,2,0,0,0,0|1,0,0]=3 60 B15R1.1321 COC(=O)C(=O)CCCC1=CC=CC=C1 SC-61431 [0,2,0,0,0,0|1,0,0]=3 61 B15R1.1321 COC(=O)[C@@H](O)COCC1=CC=CC=C1 SC-48586 [0,2,0,0,0,0|2,0,0]=4 62 B13R2.3 C1=CC=C(C2CCCCC2)C=C1 SC-77517 [1,0,0,1,0,0|1,0,1]=4 63 B13R2.3 C1=CC=C(N2CCOCC2)C=C1 SC-22574 [1,0,0,1,0,0|1,0,1]=4 64 B13R2.3 C1=CC=C([C@H]2CCCNC2)C=C1 SC-23713 [1,0,0,1,0,0|2,0,0]=4 65 B13R2.15 O=C1CCCC1C2=CC=CC=C2 SC-36875 [1,0,0,1,0,0|1,0,0]=3 66 B13R2.15 O=C1NCCN1C2=CC=CC=C2 SC-65986 [1,0,0,1,0,0|2,0,0]=4 67 B13R2.15 O=C1OCCC1C2=CC=CC=C2 SC-36254 [1,0,0,1,0,0|0,0,0]=2 68 B13R2.64 C1=CC=C(CC2CCNC2)C=C1 SC-50777 [1,0,0,1,0,0|1,0,1]=4 69 B13R2.10 O=C1NCC(C2=CC=CC=C2)N1 SC-89145 [0,0,0,1,1,0|2,0,0]=4 70 B13R2.10 O=C1NCC(C2=CC=CC=C2)O1 SC-49190 [0,0,0,1,1,0|2,0,0]=4 71 B13R2.10 S=C1N[C@@H](C2=CC=CC=C2)CO1 SC-17369 [0,0,0,1,1,0|1,1,0]=4 72 B13R2.10 [C@@H]1(C2=CC=CC=C2)COC(=S)N1 SC-25816 [0,0,0,1,1,0|1,1,0]=4 73 B13R2.31 O=C1CC(CC2=CC=CC=C2)C1 SC-36029 [0,0,0,1,1,0|0,0,0]=2 74 B13R2.72 O=C(O)C1CNC2=C1C=CC=C2 SC-04209 [0,0,0,1,1,0|2,0,0]=4 75 B13R2.423 O=C(Cl)[C@H]1C[C@H]1C2=CC=CC=C2 SC-60997 [0,0,0,1,1,0|1,0,0]=3 76 B15R2.31 O=C1C=CCN(CC2=CC=CC=C2)C1 SC-36158 [0,0,0,1,0,1|1,0,1]=4 77 B15R2.31 O=C1CCCN(CC2=CC=CC=C2)C1 SC-40507 [0,0,0,1,0,1|1,0,0]=3 78 B15R2.31 O=C1CCCN(CC2=CC=CC=C2)C1 SC-90816 [0,0,0,1,0,1|1,0,0]=3 79 B15R2.31 O=C1CCNC(CC2=CC=CC=C2)C1 SC-35531 [0,0,0,1,0,1|1,0,0]=3 80 B15R2.31 O=C1CN(CC2=CC=CC=C2)CCN1 SC-96015 [0,0,0,1,0,1|1,0,0]=3 81 B15R2.63 O=C(O)[C@@H]1CCN[C@@H]1C2=CC=CC=C2 SC-73198 [0,0,0,1,0,1|2,0,0]=4 82 B15R2.68122 O=C(O)CC1NCCC2=C1C=CC=C2 SC-48982 [0,0,0,1,0,1|2,0,0]=4 83 B15R2.69183 O=C(O)C1CCCCC2=CC=CC=C21 SC-36517 [0,0,0,1,0,1|2,0,0]=4 84 B15R2.30 NC1=CC(C2CCNC(=O)C2)=NC=C1 SC-61561 [0,1,0,1,0,0|2,0,0]=4 85 B15R2.1237 CC(=O)N1CCNC2=CC=CC=C2C1 SC-27919 [0,1,0,1,0,0|2,0,0]=4 86 B15R2.28 CC1=CC=C(C2CC(=O)CCN2)C=C1 SC-36342 [0,1,0,1,0,0|2,0,0]=4 87 B15R2.28 NC1=CC=C(C2CCNC(=O)C2)C=N1 SC-55847 [0,1,0,1,0,0|2,0,0]=4 88 B15R2.28 NC1=CN=C(C2CCNC(=O)C2)C=C1 SC-61553 [0,1,0,1,0,0|2,0,0]=4 89 B15R2.28 O=C1CCCC(C2=CC=C(Br)C=C2)C1 SC-65710 [0,1,0,1,0,0|1,0,0]=3 90 B15R2.28 O=C1CCCC(C2=CC=C(F)C=C2)O1 SC-35667 [0,1,0,1,0,0|2,0,0]=4 91 B15R2.28 O=C1CCNC(C2=CC=C(F)C=C2)C1 SC-36135 [0,1,0,1,0,0|2,0,0]=4 92 B15R2.4 COC(=O)CC1NCC2=C1C=CC=C2 SC-49341 [0,1,0,1,0,0|2,0,0]=4 93 B15R2.79765 O=C(CCl)N1CCSC2=CC=CC=C21 SC-29399 [0,1,0,1,0,0|2,0,0]=4 94 B11R1.91 CC(=N)NCC1=CC=CC=C1 SC-62048 [0,0,0,0,2,0|2,0,0]=4 95 B11R1.91 CC(=O)NCC1=CC=NC=C1 SC-54472 [0,0,0,0,2,0|2,0,0]=4 96 B11R1.91 CC(=O)NCC1=CN=CC=C1 SC-65166 [0,0,0,0,2,0|2,0,0]=4 97 B11R1.91 CC(=O)NCC1=NC=CC=C1 SC-54471 [0,0,0,0,2,0|2,0,0]=4 98 B11R1.91 CC(=S)CSC1=CC=CC=C1 SC-42706 [0,0,0,0,2,0|1,1,0]=4 99 B11R1.91 CC(N)CCC1=CC=CC=C1 SC-62200 [0,0,0,0,2,0|1,0,1]=4 100 B11R1.91 N=C(N)CCC1=CC=CC=C1 SC-39335 [0,0,0,0,2,0|2,0,0]=4 101 B11R1.91 O=C(O)CCC1=CC=CC=C1 SC-04862 [0,0,0,0,2,0|1,0,0]=3 102 B11R1.91 O=C(O)CCC1=CC=NC=C1 SC-50418 [0,0,0,0,2,0|2,0,0]=4 103 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 SC-68717 [0,0,0,0,2,0|2,0,0]=4 104 B15R1.504 O=C(O)CCCCCCC1=CC=CC=C1 SC-70528 [0,0,0,0,0,2|2,0,0]=4