0 B14R2.21 Cc1cccc(c1)c2ccccc2 L01006 [1,0,0,0,0,0|1,0,0]=2 1 B14R2.21 c1ccc(cc1)c2cccc(c2)Br B21726 [1,0,0,0,0,0|2,0,0]=3 2 B14R2.21 c1ccc(cc1)c2cccc(c2)N H51027 [1,0,0,0,0,0|2,0,0]=3 3 B14R2.24 Cc1ccccc1c2ccccc2 L01312 [1,0,0,0,0,0|2,0,0]=3 4 B14R2.24 c1ccc(cc1)c2ccccc2Br B21840 [1,0,0,0,0,0|2,0,0]=3 5 B14R2.24 c1ccc(cc1)c2ccccc2F A12227 [1,0,0,0,0,0|2,0,0]=3 6 B14R2.24 c1ccc(cc1)c2ccccc2I L06990 [1,0,0,0,0,0|2,0,0]=3 7 B14R2.24 c1ccc(cc1)c2ccccc2N L05728 [1,0,0,0,0,0|2,0,0]=3 8 B14R2.24 c1ccc(cc1)c2ccccc2O A10592 [1,0,0,0,0,0|1,0,1]=3 9 B14R1.423 c1ccc(cc1)NC(=O)\C=C/C(=O)O B25656 [0,0,1,0,0,0|2,0,0]=3 10 B16R3.2583 c1ccc2c(c1)c3cc(ccc3[nH]2)Br H64437 [0,0,0,1,0,0|3,0,0]=4 11 B16R3.2583 c1ccc2c(c1)c3cc(ccc3o2)Br H64596 [0,0,0,1,0,0|2,0,1]=4 12 B16R3.2583 c1ccc2c(c1)c3cc(ccc3s2)Br H64645 [0,0,0,1,0,0|2,1,0]=4 13 B14R2.277 Cc1ccc(n1c2ccccc2)C A14614 [0,0,0,0,1,0|1,0,0]=2 14 B14R2.277 c1ccc(cc1)N2C(=O)C=CC2=O A14616 [0,0,0,0,1,0|1,0,0]=2 15 B14R2.277 c1ccc(cc1)N2C(=O)CNC2=S H63692 [0,0,0,0,1,0|2,0,1]=4 16 B14R2.277 c1ccc(cc1)n2c(=O)[nH][nH]c2=O L00255 [0,0,0,0,1,0|3,0,0]=4 17 B14R2.598 CC1=NN(C(=O)C1)c2ccccc2 A11161 [0,0,0,0,1,0|1,0,1]=3 18 B14R2.598 Cc1cc(n(n1)c2ccccc2)C B25489 [0,0,0,0,1,0|2,0,0]=3 19 B14R2.598 Cc1cc(n(n1)c2ccccc2)Cl A12685 [0,0,0,0,1,0|2,0,0]=3 20 B14R2.598 Cc1cc(n(n1)c2ccccc2)N H63605 [0,0,0,0,1,0|2,0,0]=3 21 B14R2.598 c1ccc(cc1)C2=CC(=O)OC2=O L03453 [0,0,0,0,1,0|3,0,0]=4 22 B14R2.598 c1ccc(cc1)N2C(=O)CC(=N2)N A10862 [0,0,0,0,1,0|2,0,1]=4 23 B16R2.317 c1ccc(cc1)Cc2cc(ccc2O)Cl B20112 [0,0,0,0,0,1|2,0,1]=4 24 B13R2.3 c1cc[n+](cc1)c2ccncc2 H55351 [2,0,0,0,0,0|1,0,1]=4 25 B13R2.3 c1ccc(cc1)c2ccccc2 A10265 [2,0,0,0,0,0|1,0,0]=3 26 B13R2.3 c1ccc(cc1)c2ccccn2 44282 [2,0,0,0,0,0|2,0,0]=4 27 B13R2.3 c1ccc(cc1)c2ccccn2 L07861 [2,0,0,0,0,0|2,0,0]=4 28 B13R2.3 c1ccc(cc1)c2cccnc2 B23930 [2,0,0,0,0,0|2,0,0]=4 29 B15R1.111 c1cc(ccc1NC(=O)\C=C/C(=O)O)Br B25211 [0,1,1,0,0,0|2,0,0]=4 30 B15R1.111 c1cc(ccc1NC(=O)\C=C/C(=O)O)F L10394 [0,1,1,0,0,0|2,0,0]=4 31 B15R1.111 c1cc(ccc1NC(=O)\C=C/C(=O)O)I B25210 [0,1,1,0,0,0|2,0,0]=4 32 B15R1.120 c1cc(cc(c1)Br)NC(=O)\C=C/C(=O)O H34239 [0,1,1,0,0,0|2,0,0]=4 33 B15R1.120 c1cc(cc(c1)Cl)NC(=O)\C=C/C(=O)O B25166 [0,1,1,0,0,0|2,0,0]=4 34 B15R1.256 c1ccc(c(c1)NC(=O)\C=C/C(=O)O)Br H34339 [0,1,1,0,0,0|2,0,0]=4 35 B15R2.17 c1ccc(cc1)c2cccc(c2)C=O H50453 [1,1,0,0,0,0|1,0,1]=4 36 B15R2.30 c1cc(cc(c1)F)c2cccc(c2)F L16740 [1,1,0,0,0,0|2,0,0]=4 37 B15R2.94 Cc1ccc(cc1N)c2ccccc2 H28265 [1,1,0,0,0,0|2,0,0]=4 38 B15R2.94 c1ccc(cc1)c2ccc(c(c2)Br)F B25316 [1,1,0,0,0,0|2,0,0]=4 39 B15R2.21 COc1ccccc1c2ccccc2 L01063 [1,1,0,0,0,0|1,0,1]=4 40 B15R2.21 c1ccc(cc1)c2ccccc2CO L07094 [1,1,0,0,0,0|1,0,1]=4 41 B15R2.389 Cc1cc(ccc1c2ccccc2)Br L17875 [1,1,0,0,0,0|2,0,0]=4 42 B15R2.389 c1ccc(cc1)c2ccc(cc2F)Br A14924 [1,1,0,0,0,0|2,0,0]=4 43 B15R2.555 c1ccc(c(c1)c2ccccc2Br)Br A17632 [1,1,0,0,0,0|2,0,0]=4 44 B15R2.555 c1ccc(c(c1)c2ccccc2O)O A14800 [1,1,0,0,0,0|1,0,1]=4 45 B15R2.323 Cc1cc(=O)n(n1C)c2ccccc2 A11089 [0,1,0,0,1,0|1,0,0]=3 46 B15R2.7148 c1cc(cc(c1)Br)N2C(=O)C=CC2=O H50586 [0,1,0,0,1,0|1,0,0]=3 47 B15R2.7458 c1cc(c(nc1)Cl)N2C(=O)C=CC2=O H50547 [0,1,0,0,1,0|2,0,0]=4 48 B15R2.7458 c1ccc(c(c1)N2C(=O)C=CC2=O)Br H50587 [0,1,0,0,1,0|1,0,0]=3 49 B15R2.18925 Cc1ccc(n1c2ccc(cc2)Br)C H50594 [0,1,0,0,1,0|1,0,0]=3 50 B15R2.18925 c1cc(ccc1N2C(=O)C=CC2=O)Br A13119 [0,1,0,0,1,0|1,0,0]=3 51 B15R2.309 Cc1cc(n(n1)c2ccc(cc2)Cl)N H51085 [0,1,0,0,1,0|2,0,0]=4 52 B15R2.321 Cc1c(c(n(n1)c2ccccc2)N)Br H32609 [0,1,0,0,1,0|2,0,0]=4 53 B17R2.3472 Cc1ccc(c(c1)c2cc(ccc2C)C)C L13330 [0,2,0,0,0,0|2,0,0]=4 54 B15R2.38 c1ccc(cc1)Nc2ccccc2N L11616 [0,0,1,1,0,0|2,0,0]=4 55 B15R2.29 Cc1ccc(cc1)Nc2ccccc2 44560 [0,0,1,1,0,0|1,0,0]=3 56 B15R2.29 c1ccc(cc1)Nc2ccc(cc2)N B23867 [0,0,1,1,0,0|2,0,0]=4 57 B15R2.29 c1ccc(cc1)Nc2ccc(cc2)O L18945 [0,0,1,1,0,0|2,0,0]=4 58 B15R3.3 c1ccc-2c(c1)Cc3c2cccc3 L02124 [1,0,0,1,0,0|2,0,0]=4 59 B15R3.3 c1ccc2c(c1)c3ccccc3[nH]2 A11448 [1,0,0,1,0,0|2,0,0]=4 60 B15R3.3 c1ccc2c(c1)c3ccccc3o2 A16521 [1,0,0,1,0,0|1,0,1]=4 61 B15R3.3 c1ccc2c(c1)c3ccccc3s2 A12288 [1,0,0,1,0,0|1,1,0]=4 62 B13R1.45 c1ccc(cc1)C(=O)\C=C\C(=O)O A11147 [0,0,1,0,1,0|2,0,0]=4 63 B13R1.348 CC(=O)CC(=O)Nc1ccccc1 A17534 [0,0,1,0,1,0|1,0,1]=4 64 B13R2.10 Cc1ccc(s1)c2ccccc2 L20420 [1,0,0,0,1,0|2,0,0]=4 65 B13R2.10 Cc1ccn(n1)c2ccccc2 A14841 [1,0,0,0,1,0|1,0,0]=3 66 B13R2.10 c1ccc(cc1)n2cc(cn2)I H32612 [1,0,0,0,1,0|2,0,0]=4 67 B15R2.31 Cc1cccc(c1)Nc2ccccc2 B25441 [1,0,0,0,0,1|1,0,0]=3 68 B15R2.31 Cc1cccc(c1)Oc2ccccc2 B21899 [1,0,0,0,0,1|1,0,0]=3 69 B15R2.31 c1ccc(cc1)Cc2cccc(c2)N L19872 [1,0,0,0,0,1|2,0,0]=4 70 B15R2.31 c1ccc(cc1)Nc2cccc(c2)O L03678 [1,0,0,0,0,1|2,0,0]=4 71 B15R2.31 c1ccc(cc1)Oc2cccc(c2)N A17495 [1,0,0,0,0,1|2,0,0]=4 72 B15R2.31 c1ccc(cc1)Oc2cccc(c2)O A17865 [1,0,0,0,0,1|2,0,0]=4