0 B12R1.8 CCCCCOc1ccccc1 T25936 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.8 S=C=NCCCC1=CC=CC=C1 T40253 [0,0,0,0,0,0|1,1,1]=3 2 B11R1.28 OCCCCc1ccccc1 T20370 [1,0,0,0,0,0|0,0,0]=1 3 B11R1.28 OCCOCc1ccccc1 T14013 [1,0,0,0,0,0|1,0,0]=2 4 B11R1.28 OCCSCc1ccncc1 T34331 [1,0,0,0,0,0|2,0,0]=3 5 B11R1.28 S=C=NCCc1ccccc1 T19687 [1,0,0,0,0,0|1,1,1]=4 6 B13R1.24 CCCCOC(=O)c1ccccc1 T20001 [0,1,0,0,0,0|2,0,1]=4 7 B13R1.42 ClCCC(=O)NCc1ccccc1 T1249 [0,1,0,0,0,0|2,0,1]=4 8 B13R1.44 CC(Cc1ccccc1)NCC#C T25311 [0,1,0,0,0,0|2,0,1]=4 9 B13R1.337 CC(C)CCOCc1ccccc1 T20292 [0,1,0,0,0,0|2,0,0]=3 10 B13R1.337 OC(=O)CCCCc1ccccc1 T7458 [0,1,0,0,0,0|0,0,1]=2 11 B13R1.718 CCC(=O)OCCc1ccccc1 T33975 [0,1,0,0,0,0|2,0,1]=4 12 B11R0.81 CCCCCCC(=O)/C=C/C=O T31275 [0,0,1,0,0,0|3,0,0]=4 13 B13R2.1 OCCc1c[nH]c2ccccc12 T4876 [0,0,0,1,0,0|1,0,2]=4 14 B13R2.3 C1CCC(NC1)c2cccnc2 T6060 [0,0,0,1,0,0|2,0,0]=3 15 B13R2.3 C1CCC(NC1)c2cccnc2 T6060L [0,0,0,1,0,0|2,0,0]=3 16 B13R2.3 C1CC[C@H](NC1)c2cccnc2 T7224 [0,0,0,1,0,0|2,0,0]=3 17 B13R2.3 [C@H]1(C2=CC=CN=C2)NCCCC1 T22571 [0,0,0,1,0,0|2,0,0]=3 18 B13R2.64 C(C1=NCCN1)c2ccccc2 T1680 [0,0,0,1,0,0|2,0,1]=4 19 B13R2.64 C(C1=NCCN1)c2ccccc2 T21447 [0,0,0,1,0,0|2,0,1]=4 20 B13R2.2383 C(Oc1cccnc1)[C@@H]2CCN2 T26489 [0,0,0,1,0,0|3,0,0]=4 21 B11R1.4 NCCCCCc1cnc[nH]1 T22866 [0,0,0,0,1,0|3,0,0]=4 22 B10R0.71 CCCCC/C=C/C=C/C=O T9506 [1,0,1,0,0,0|1,0,0]=3 23 B10R1.17 CCOCc1ccccc1 T36790 [2,0,0,0,0,0|1,0,0]=3 24 B10R1.17 CNCCc1ccccn1 T0246 [2,0,0,0,0,0|2,0,0]=4 25 B10R1.17 CNCCc1ccccn1 T0246L [2,0,0,0,0,0|2,0,0]=4 26 B10R1.17 CNCCc1ccccn1 T4195 [2,0,0,0,0,0|2,0,0]=4 27 B10R1.17 NNCCc1ccccc1 T12441 [2,0,0,0,0,0|2,0,0]=4 28 B10R1.17 NNCCc1ccccc1 T50010 [2,0,0,0,0,0|2,0,0]=4 29 B10R1.17 O=CCCc1ccccc1 T20312 [2,0,0,0,0,0|0,0,2]=4 30 B10R1.17 OC/C=C/c1ccccc1 TN2982 [2,0,0,0,0,0|0,0,2]=4 31 B10R1.17 OCC=Cc1ccccc1 T5S1550 [2,0,0,0,0,0|0,0,2]=4 32 B10R1.17 OCCCc1ccccc1 T3754 [2,0,0,0,0,0|0,0,0]=2 33 B10R1.17 OCCOc1ccccc1 T20293 [2,0,0,0,0,0|1,0,0]=3 34 B12R0.5 C/C=C/C=C/CCCCCCCO T20516 [0,1,1,0,0,0|0,0,2]=4 35 B12R1.1 CCCCOc1ccc(O)cc1 T1350 [1,1,0,0,0,0|1,0,0]=3 36 B12R1.27 COC(=O)CCc1ccccc1 T9513 [1,1,0,0,0,0|1,0,1]=4 37 B12R1.30 CCCCC(O)c1ccccc1 T0857 [1,1,0,0,0,0|0,0,0]=2 38 B12R1.32 CCCC(=O)Oc1ccccc1 T25946 [1,1,0,0,0,0|1,0,1]=4 39 B12R1.32 CCOC(=O)Cc1ccccc1 T19317 [1,1,0,0,0,0|1,0,1]=4 40 B12R1.32 CN(CCO)Cc1cccnc1 T32276 [1,1,0,0,0,0|2,0,0]=4 41 B12R1.32 NC(CC=C)Cc1ccccc1 T25044 [1,1,0,0,0,0|0,0,2]=4 42 B12R1.252 CC(=O)OCCc1ccccc1 TN6877 [1,1,0,0,0,0|1,0,1]=4 43 B12R1.252 OC(=O)CCCc1ccccc1 T5886 [1,1,0,0,0,0|0,0,1]=3 44 B12R1.252 [O-]C(=O)CCCc1ccccc1 T1535 [1,1,0,0,0,0|0,0,2]=4 45 B12R1.267 CCCCCc1ccccc1O T33809 [1,1,0,0,0,0|0,0,0]=2 46 B12R1.37 CCCCCCCc1ccco1 T26381 [0,1,0,0,1,0|2,0,0]=4 47 B14R1.14 Nc1ccc(OCCCCCO)cc1 T29309 [0,2,0,0,0,0|0,0,0]=2 48 B14R1.774 CCCCCCc1ccc(C)cc1O T29472 [0,2,0,0,0,0|1,0,0]=3 49 B14R1.774 CCCCCCc1ccc(O)cc1O T0314 [0,2,0,0,0,0|1,0,0]=3 50 B14R1.38 CCCCCCC(=O)c1ccncc1 T29299 [0,2,0,0,0,0|2,0,0]=4 51 B14R1.123 CCCCCCCCc1ccccc1 T9895 [0,2,0,0,0,0|1,0,0]=3 52 B14R1.123 NCCOCCOCc1ccccc1 T14533 [0,2,0,0,0,0|1,0,0]=3 53 B14R1.123 OCCOCCOCc1ccccc1 T15125 [0,2,0,0,0,0|0,0,0]=2 54 B14R1.156 O=C(OCCO)NCC1=CC=CC=C1 T8588 [0,2,0,0,0,0|1,0,1]=4 55 B14R1.158 CC(Cc1ccccc1)NCCCCl T33273 [0,2,0,0,0,0|1,0,0]=3 56 B14R1.520 CCOC(C)OCCc1ccccc1 T2S0604 [0,2,0,0,0,0|2,0,0]=4 57 B14R1.520 ClCCC(=O)NCCc1ccccc1 T8604 [0,2,0,0,0,0|1,0,1]=4 58 B14R1.20339 CCCCCCc1c(C)cccc1O T29351 [0,2,0,0,0,0|1,0,0]=3 59 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 T19999 [1,0,0,1,0,0|0,0,0]=2 60 B14R2.21 CC1CCOC(O1)c2ccccc2 T29279 [0,1,0,1,0,0|1,0,0]=3 61 B14R2.68 O[C@H]1CO[C@@H](OC1)c2ccccc2 T29456 [0,1,0,1,0,0|1,0,0]=3 62 B14R2.68 O[C@H]1CO[C@H](OC1)c2ccccc2 T29455 [0,1,0,1,0,0|1,0,0]=3 63 B14R2.68 Oc1ccc(cc1)C2CCCCC2 T3681 [0,1,0,1,0,0|1,0,0]=3 64 B14R2.5637 C[C@H]1CNCCc2ccc(Cl)cc12 T6572 [0,1,0,1,0,0|2,0,0]=4 65 B14R2.5637 C[C@H]1CNCCc2ccc(Cl)cc12 T8757 [0,1,0,1,0,0|2,0,0]=4 66 B14R2.3 C#CCN[C@@H]1CCc2ccccc12 T1119 [0,1,0,1,0,0|1,0,1]=4 67 B14R2.3 C#CCN[C@@H]1CCc2ccccc12 T6962 [0,1,0,1,0,0|1,0,1]=4 68 B14R2.3 C#CCN[C@H]1CCC2=CC=CC=C21 T13252 [0,1,0,1,0,0|1,0,1]=4 69 B14R2.3 C#CCN[C@H]1CCc2ccccc12 T13252L [0,1,0,1,0,0|1,0,1]=4 70 B14R2.3 [13CH]#[13C][13CH2]NC1CCc2ccccc12 T12693 [0,1,0,1,0,0|1,0,1]=4 71 B14R2.6 C1CC(CCN1)Oc2ccccc2 T7843 [0,1,0,1,0,0|2,0,0]=4 72 B14R2.24 C[C@@H]1COCO[C@@H]1c2ccccc2 T33259 [0,1,0,1,0,0|1,0,0]=3 73 B14R2.24 OC1CCCCC1c2ccccc2 T29368 [0,1,0,1,0,0|0,0,0]=2 74 B10R1.21 CCCCCc1ccco1 TCS0324 [1,0,0,0,1,0|1,0,0]=3