0 B14R2.5637 CC1CNCCC2=C1C=C(C=C2)Cl PI-42875 [0,0,0,0,0,0|0,0,0]=0 1 B14R2.5637 CC1CNCCC2=C1C=C(C=C2)Cl PI-44722 [0,0,0,0,0,0|0,0,0]=0 2 B14R2.5637 CC1CNCCC2=C1C=C(C=C2)Cl PI-46475 [0,0,0,0,0,0|0,0,0]=0 3 B14R2.5637 C[C@H]1CNCCC2=C1C=C(C=C2)Cl PI-46477 [0,0,0,0,0,0|0,0,0]=0 4 B14R2.5637 ClC1=CC2=C(NCCCC2=O)C=C1 PI-41262 [0,0,0,0,0,0|3,0,1]=4 5 B13R2.3729 Nc1ccc2CCNCCc2c1 PI-36423 [1,0,0,0,0,0|1,0,0]=2 6 B13R2.5252 O=C1CCCCc2c1cccc2 PI-38859 [1,0,0,0,0,0|2,0,1]=4 7 B13R1.9 CCCCCOC1=CC=C(C=C1)Br PI-30457 [0,0,1,0,0,0|2,1,0]=4 8 B13R1.9 CCCCCOC1=CC=C(C=C1)N PI-50580 [0,0,1,0,0,0|3,0,0]=4 9 B13R1.18 CCNCC(c1cccc(c1)O)O PI-21753 [0,0,1,0,0,0|2,0,0]=3 10 B13R2.162 C1CC2=C(C(=O)C1)N=C(C=C2)Cl PI-48168 [0,0,0,0,1,0|2,0,1]=4 11 B13R2.162 C1CC2=C(C=C(C=C2)Br)C(=O)C1 PI-17774 [0,0,0,0,1,0|1,1,1]=4 12 B13R2.162 C1CC2=C(C=C(C=C2)I)C(=O)C1 PI-32683 [0,0,0,0,1,0|1,1,1]=4 13 B13R2.162 C1CNC(=O)C2=C1C=CC(=C2)Br PI-41660 [0,0,0,0,1,0|1,1,1]=4 14 B13R2.162 C1COC2=C(C1=O)C=C(C=C2)Cl PI-15391 [0,0,0,0,1,0|2,0,1]=4 15 B13R2.162 Clc1ccc2c(c1)C(=O)CCC2 PI-32682 [0,0,0,0,1,0|1,0,1]=3 16 B13R2.162 Fc1ccc2CCCC(=O)c2c1 PI-32681 [0,0,0,0,1,0|1,1,1]=4 17 B13R2.162 NC1=CC=C2C(=C1)N(CCC2)C PI-33981 [0,0,0,0,1,0|2,0,0]=3 18 B13R2.162 O=C1CCCC2=C1C=C(C)C=C2 PI-40562 [0,0,0,0,1,0|2,0,1]=4 19 B13R2.162 O=C1CCCC2=C1C=C(N)C=C2 PI-17771 [0,0,0,0,1,0|2,0,1]=4 20 B13R2.162 O=C1CCCC2=C1C=C(O)C=C2 PI-41086 [0,0,0,0,1,0|2,0,1]=4 21 B12R1.1 CCCCCC1=CC=C(C=C1)Br PI-16233 [1,0,1,0,0,0|0,1,0]=3 22 B12R1.1 CCCCCc1ccc(O)cc1 PI-16210 [1,0,1,0,0,0|1,0,0]=3 23 B12R1.1 CCCCOC1=CC=C(C=C1)N PI-22654 [1,0,1,0,0,0|2,0,0]=4 24 B12R1.1 CCCCOc1ccc(cc1)Br PI-36885 [1,0,1,0,0,0|1,1,0]=4 25 B12R1.1 CCCCOc1ccc(cc1)O PI-13016 [1,0,1,0,0,0|2,0,0]=4 26 B12R1.1 OCCNCc1ccc(cc1)F PI-10001 [1,0,1,0,0,0|1,1,0]=4 27 B12R1.8 C1=CC=C(C=C1)CCCCCBr PI-14508 [1,0,1,0,0,0|2,0,0]=4 28 B12R1.8 CCCCCCC1=CC=CC=N1 PI-13332 [1,0,1,0,0,0|2,0,0]=4 29 B12R1.8 CCCCCC[N+]1=CC=CC=C1 PI-17157 [1,0,1,0,0,0|2,0,0]=4 30 B12R1.8 CCCCNCC1=CC=CC=C1 PI-28306 [1,0,1,0,0,0|2,0,0]=4 31 B12R1.17 C1=CC(=CC(=C1)Cl)[C@H](CCO)O PI-50214 [1,0,1,0,0,0|2,0,0]=4 32 B12R1.17 CNCC(C1=CC(=CC=C1)O)O PI-33512 [1,0,1,0,0,0|2,0,0]=4 33 B12R1.17 CNCC(C1=CC(=CC=C1)O)O PI-41191 [1,0,1,0,0,0|2,0,0]=4 34 B12R1.17 CNC[C@@H](c1cccc(c1)O)O PI-33511 [1,0,1,0,0,0|2,0,0]=4 35 B12R1.283 NNCc1ccccc1N(C)C PI-23375 [1,0,1,0,0,0|2,0,0]=4 36 B12R1.268 COC1=C(C=C(C=C1)Br)CCN PI-21559 [1,0,1,0,0,0|1,1,0]=4 37 B14R1.14 CCCCCCCC1=CC=C(C=C1)O PI-11987 [0,1,1,0,0,0|2,0,0]=4 38 B14R1.14 CCCCCCOC1=CC=C(C=C1)O PI-50584 [0,1,1,0,0,0|2,0,0]=4 39 B14R1.14 CCCCCCOc1ccc(cc1)Br PI-29463 [0,1,1,0,0,0|1,1,0]=4 40 B14R1.677 CC(CNCCC1=CC=C(C=C1)Cl)Cl PI-46476 [0,1,1,0,0,0|0,0,0]=2 41 B14R1.774 CCCCCCc1ccc(cc1O)O PI-31367 [0,1,1,0,0,0|2,0,0]=4 42 B14R1.776 CCCCCCC1=CC=C(C=C1)NN PI-20715 [0,1,1,0,0,0|2,0,0]=4 43 B14R1.776 CCCCCCc1ccc(cc1)C#C PI-30938 [0,1,1,0,0,0|2,0,0]=4 44 B14R1.776 O=CC1=CC=C(CCCCCC)C=C1 PI-27637 [0,1,1,0,0,0|2,0,0]=4 45 B14R2.28472 CC1C2=CC(=C(C=C2CCN1)O)O PI-17013 [0,1,0,0,1,0|1,0,0]=3 46 B14R2.68 Brc1ccc(cc1)C2CCCCC2 PI-17143 [0,0,1,1,0,0|1,1,0]=4 47 B14R2.68 C1CC(CNC1)C2=CC=C(C=C2)Br PI-44351 [0,0,1,1,0,0|0,1,0]=3 48 B14R2.68 C1CC(CNC1)C2=CC=C(C=C2)Br PI-44353 [0,0,1,1,0,0|0,1,0]=3 49 B14R2.68 C1CCC(CC1)C2=CC=C(C=C2)O PI-15329 [0,0,1,1,0,0|2,0,0]=4 50 B14R2.21 C1CSCC(N1)C2=CC(=CC=C2)Cl PI-17378 [0,0,1,1,0,0|2,0,0]=4 51 B14R3.2531 C1C2CNCC1C3=CC=CC=C23 PI-44472 [1,0,0,1,0,0|0,0,0]=2 52 B12R2.24 Brc1ccc2COCCc2c1 PI-36578 [1,0,0,0,1,0|1,1,0]=4 53 B12R2.24 C1CN=CC2=C1C=CC(=C2)Cl PI-41043 [1,0,0,0,1,0|0,0,2]=4 54 B12R2.24 C1CNCC2=C1C=CC(=C2)N PI-17082 [1,0,0,0,1,0|1,0,0]=3 55 B12R2.24 CC1=CC2=C(C=C1)NCCC2 PI-29971 [1,0,0,0,1,0|2,0,0]=4 56 B12R2.24 CC1=NC2=C(CCCC2)C=C1 PI-11111 [1,0,0,0,1,0|2,0,0]=4 57 B12R2.24 Cc1ccc2c(c1)CNCC2 PI-39238 [1,0,0,0,1,0|1,0,0]=3 58 B12R2.24 Clc1ccc2c(c1)CCNC2 PI-39220 [1,0,0,0,1,0|0,0,0]=2 59 B12R2.24 Clc1ccc2c(c1)CNCC2 PI-39234 [1,0,0,0,1,0|0,0,0]=2 60 B12R2.24 FC1=CC2=C(CNCC2)C=C1 PI-42588 [1,0,0,0,1,0|0,1,0]=3 61 B12R2.24 Nc1ccc2c(c1)NCCC2 PI-37583 [1,0,0,0,1,0|2,0,0]=4 62 B12R2.24 Oc1ccc2c(c1)CCCC2 PI-12597 [1,0,0,0,1,0|1,0,0]=3 63 B12R2.24 Oc1ccc2c(c1)NCCC2 PI-13250 [1,0,0,0,1,0|2,0,0]=4 64 B12R2.1081 C1CC(C2=C(C1)C=CC=N2)O PI-42265 [1,0,0,0,1,0|2,0,0]=4 65 B12R2.1081 C1CC(C2=C(C1)C=CN=C2)N PI-48339 [1,0,0,0,1,0|2,0,0]=4 66 B12R2.1081 C1CC(C2=CC=CC=C2C1)N PI-25359 [1,0,0,0,1,0|1,0,0]=3 67 B12R2.1081 C1CC(C2=CC=CC=C2C1)O PI-18634 [1,0,0,0,1,0|1,0,0]=3 68 B12R2.1081 C1CC2=CC=CC=C2C(=O)C1 PI-32512 [1,0,0,0,1,0|1,0,1]=4 69 B12R2.1081 C1CNC(=O)C2=CC=CC=C21 PI-35016 [1,0,0,0,1,0|1,0,1]=4 70 B12R2.1081 CN1CCCc2c1cccc2 PI-37581 [1,0,0,0,1,0|1,0,0]=3 71 B12R2.1081 CN1CCNC2=CC=CC=C21 PI-35506 [1,0,0,0,1,0|2,0,0]=4 72 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 PI-41866 [1,0,0,0,1,0|2,0,0]=4 73 B12R2.1081 O[C@@H]1CCCc2ccccc12 PI-18372 [1,0,0,0,1,0|1,0,0]=3 74 B12R2.1081 O[C@H]1CCCc2ccccc12 PI-18655 [1,0,0,0,1,0|1,0,0]=3 75 B12R2.132 Clc1ccc2c(c1)C(=O)CC2 PI-32741 [0,0,0,0,2,0|1,0,1]=4 76 B12R2.132 N[C@@H]1CCC2=C1C=C(O)C=C2 PI-37113 [0,0,0,0,2,0|2,0,0]=4